From 8f89b0d2b1bf32731efc51bd0eac922988d185e2 Mon Sep 17 00:00:00 2001 From: David Parkhurst Date: Wed, 15 May 2024 17:15:36 -0600 Subject: [PATCH 1/6] Tony tweaked phreeqc_rates.dat and added rate_xmpls test case. --- database/phreeqc_rates.dat | 847 ++++++++++++++++++++---------------- mytest/CMakeLists.txt | 1 + mytest/kinetic_rates_pH.inc | 176 ++++++++ mytest/rate_xmpls | 311 +++++++++++++ mytest/rate_xmpls.out | 157 +++++++ mytest/rate_xmpls_101.sel | 275 ++++++++++++ 6 files changed, 1389 insertions(+), 378 deletions(-) create mode 100644 mytest/kinetic_rates_pH.inc create mode 100644 mytest/rate_xmpls create mode 100644 mytest/rate_xmpls.out create mode 100644 mytest/rate_xmpls_101.sel diff --git a/database/phreeqc_rates.dat b/database/phreeqc_rates.dat index 787c3083b..d37b379d8 100644 --- a/database/phreeqc_rates.dat +++ b/database/phreeqc_rates.dat @@ -1917,70 +1917,84 @@ Pyrolusite # Montmorillonite # Na, K, Mg, Ca exchange, Hermanska rate for the TOT layer # PHASES # defined for formulas and affinities of kinetic (mostly) dissolving minerals -# Unless noted otherwise, data from ThermoddemV1.10_15Dec2020.dat. +# Unless noted otherwise, data from ThermoddemV1.10_15Dec2020.dat, +# tidied with lsp.exe from https://phreeplot.org/lsp/lsp.html + Actinolite # Hornblende, Ferroactinolite -Ca2(Mg2.25Fe2.5Al0.25)(Si7.75Al0.25)O22(OH)2 + 15H+ + 7H2O = 0.500Al+3 + 2Ca+2 + 2.500Fe+2 + 2.250Mg+2 + 7.750H4SiO4 - log_k 7.128 - delta_h -181.662 #kJ/mol #19bla/lac - -analytic -5.0954182E+3 -6.949504E-1 3.0825312E+5 1.8133351E+3 -1.8767155E+7 +Ca2(Mg2.25Fe2.5Al0.25)(Si7.75Al0.25)O22(OH)2 + 15 H+ + 7 H2O = 0.5 Al+3 + 2 Ca+2 + 2.5 Fe+2 + 2.25 Mg+2 + 7.75 H4SiO4 + log_k 7.128 + delta_h -181.662 #kJ/mol #19bla/lac + -analytic -5.0954182E3 -6.949504E-1 3.0825312E5 1.8133351E3 -1.8767155E7 + Almandine # (alpha) -Fe3Al2Si3O12 + 12H+ = 2Al+3 + 3Fe+2 + 3H4SiO4 - log_k 42.180 - delta_h -458.683 #kJ/mol #95rob/hem - -analytic -3.0848427E+3 -4.4981168E-1 1.9672956E+5 1.0990475E+3 -1.0509115E+7 +Fe3Al2Si3O12 + 12 H+ = 2 Al+3 + 3 Fe+2 + 3 H4SiO4 + log_k 42.18 + delta_h -458.683 #kJ/mol #95rob/hem + -analytic -3.0848427E3 -4.4981168E-1 1.9672956E5 1.0990475E3 -1.0509115E7 + Analcime -Na0.99Al0.99Si2.01O6:H2O + 3.960H+ + 1.040H2O = 0.990Al+3 + 0.990Na+ + 2.010H4SiO4 - log_k 6.654 - delta_h -98 #kJ/mol #04neu/hov - -analytic -1.3403358E+3 -1.8135021E-1 8.3684586E+4 4.7527556E+2 -4.9476886E+6 +Na0.99Al0.99Si2.01O6:H2O + 3.96 H+ + 1.04 H2O = 0.99 Al+3 + 0.99 Na+ + 2.01 H4SiO4 + log_k 6.654 + delta_h -98 #kJ/mol #04neu/hov + -analytic -1.3403358E3 -1.8135021E-1 8.3684586E4 4.7527556E2 -4.9476886E6 + Andalusite -Al2SiO5 + 6H+ = 2Al+3 + 1H4SiO4 + 1H2O - log_k 16.206 - delta_h -244.610 #kJ/mol #Internal calculation - -analytic -1.339469E+3 -2.048042E-1 8.5279067E+4 4.7661954E+2 -4.3249835E+6 +Al2SiO5 + 6 H+ = 2 Al+3 + H4SiO4 + H2O + log_k 16.206 + delta_h -244.61 #kJ/mol #Internal calculation + -analytic -1.339469E3 -2.048042E-1 8.5279067E4 4.7661954E2 -4.3249835E6 + Andesine # defined for elemental release Na0.6Ca0.4Si2.6Al1.4O8 + 8 H2O = 0.6 Na+ + 0.4 Ca+2 + 2.6 H4SiO4 + 1.4 Al(OH)4- Andradite -Ca3Fe2Si3O12 + 12H+ = 3Ca+2 + 2Fe+3 + 3H4SiO4 - log_k 33.787 - delta_h -327.864 #kJ/mol #Internal calculation - -analytic -2.9077837E+3 -4.2372897E-1 1.7981493E+5 1.040602E+3 -9.7870213E+6 +Ca3Fe2Si3O12 + 12 H+ = 3 Ca+2 + 2 Fe+3 + 3 H4SiO4 + log_k 33.787 + delta_h -327.864 #kJ/mol #Internal calculation + -analytic -2.9077837E3 -4.2372897E-1 1.7981493E5 1.040602E3 -9.7870213E6 + Anglesite -PbSO4 = 1Pb+2 + 1SO4-2 - log_k -7.848 - delta_h 11.550 #kJ/mol #89cox/wag - -analytic -1.6531905E+3 -2.6395706E-1 9.1051907E+4 5.9877724E+2 -5.5987833E+6 +PbSO4 = Pb+2 + SO4-2 + log_k -7.848 + delta_h 11.55 #kJ/mol #89cox/wag + -analytic -1.6531905E3 -2.6395706E-1 9.1051907E4 5.9877724E2 -5.5987833E6 + Annite -KFe3(AlSi3)O10(OH)2 + 10H+ = 1Al+3 + 3Fe+2 + 1K+ + 3H4SiO4 - log_k 32.771 - delta_h -306.153 #kJ/mol #92cir/nav - -analytic -2.6382558E+3 -3.7460641E-1 1.6621477E+5 9.4111433E+2 -9.2002058E+6 +KFe3(AlSi3)O10(OH)2 + 10 H+ = Al+3 + 3 Fe+2 + K+ + 3 H4SiO4 + log_k 32.771 + delta_h -306.153 #kJ/mol #92cir/nav + -analytic -2.6382558E3 -3.7460641E-1 1.6621477E5 9.4111433E2 -9.2002058E6 + Anorthite -Ca(Al2Si2)O8 + 8H+ = 2Al+3 + 1Ca+2 + 2H4SiO4 - log_k 24.235 - delta_h -303.522 #kJ/mol #95rob/hem - -analytic -1.9788284E+3 -2.9190197E-1 1.2612201E+5 7.0425974E+2 -6.7173266E+6 +Ca(Al2Si2)O8 + 8 H+ = 2 Al+3 + Ca+2 + 2 H4SiO4 + log_k 24.235 + delta_h -303.522 #kJ/mol #95rob/hem + -analytic -1.9788284E3 -2.9190197E-1 1.2612201E5 7.0425974E2 -6.7173266E6 + Anthophyllite -Mg7Si8O22(OH)2 + 14H+ + 8H2O = 7Mg+2 + 8H4SiO4 - log_k 73.783 - delta_h -583.247 #kJ/mol #95rob/hem - -analytic -5.2321622E+3 -7.0079895E-1 3.3845592E+5 1.8579984E+3 -1.9360477E+7 +Mg7Si8O22(OH)2 + 14 H+ + 8 H2O = 7 Mg+2 + 8 H4SiO4 + log_k 73.783 + delta_h -583.247 #kJ/mol #95rob/hem + -analytic -5.2321622E3 -7.0079895E-1 3.3845592E5 1.8579984E3 -1.9360477E7 + Antigorite -Mg48Si34O85(OH)62 + 96H+ = 48Mg+2 + 34H4SiO4 + 11H2O - log_k 500.080 - delta_h -3743.421 #kJ/mol #98hol/pow - -analytic -2.9383249E+4 -4.0195982E+0 1.8738549E+6 1.0481455E+4 -1.0123582E+8 +Mg48Si34O85(OH)62 + 96 H+ = 48 Mg+2 + 34 H4SiO4 + 11 H2O + log_k 500.08 + delta_h -3743.421 #kJ/mol #98hol/pow + -analytic -2.9383249E4 -4.0195982 1.8738549E6 1.0481455E4 -1.0123582E8 + # As2S3 # Orpiment # no As in phreeqc.dat # As2S3 + 6H2O = 2H2AsO3- + 3HS- + 5H+ - # log_k -65.110 - # delta_h 334.975 #kJ/mol #Internal calculation - # -analytic -2.5599772E+3 -4.2267991E-1 1.1988784E+5 9.3328822E+2 -8.0517057E+6 +# log_k -65.110 +# delta_h 334.975 #kJ/mol #Internal calculation +# -analytic -2.5599772E+3 -4.2267991E-1 1.1988784E+5 9.3328822E+2 -8.0517057E+6 + Augite # Pyroxene(CaAl) -CaAl(AlSi)O6 + 8H+ = 2Al+3 + 1Ca+2 + 1H4SiO4 + 2H2O - log_k 36.234 - delta_h -370.792 #kJ/mol #Internal calculation - -analytic -1.5908243E+3 -2.4603865E-1 1.0453251E+5 5.681931E+2 -4.9909659E+6 +CaAl(AlSi)O6 + 8 H+ = 2 Al+3 + Ca+2 + H4SiO4 + 2 H2O + log_k 36.234 + delta_h -370.792 #kJ/mol #Internal calculation + -analytic -1.5908243E3 -2.4603865E-1 1.0453251E5 5.681931E2 -4.9909659E6 + Biotite # defined for elemental release KFe3(AlSi3)O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Fe+2 + 3 H4SiO4 @@ -1988,272 +2002,323 @@ Bronzite # defined for elemental release Mg0.8Fe0.2SiO3 + 2 H+ + H2O = 0.8 Mg+2 + 0.2 Fe+2 + H4SiO4 Brucite -Mg(OH)2 + 2H+ = 1Mg+2 + 2H2O - log_k 17.112 - delta_h -114.518 #kJ/mol #08bla - -analytic -3.5641635E+2 -5.3167189E-2 2.4317829E+4 1.2873122E+2 -9.5286882E+5 -Bytownite # defined for elemental release +Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O + log_k 17.112 + delta_h -114.518 #kJ/mol #08bla + -analytic -3.5641635E2 -5.3167189E-2 2.4317829E4 1.2873122E2 -9.5286882E5 + +Bytownite # defined for elemental release Na0.2Ca0.8Si2.2Al1.8O8 + 8 H2O = 0.2 Na+ + 0.8 Ca+2 + 2.2 H4SiO4 + 1.8 Al(OH)4- Chabazite -Ca(Al2Si4)O12:6H2O + 8H+ = 2Al+3 + 1Ca+2 + 4H4SiO4 + 2H2O - log_k 11.541 - delta_h -200.464 #kJ/mol #08bla - -analytic -2.5875779E+3 -3.5298441E-1 1.6180839E+5 9.1700928E+2 -9.5494778E+6 +Ca(Al2Si4)O12:6H2O + 8 H+ = 2 Al+3 + Ca+2 + 4 H4SiO4 + 2 H2O + log_k 11.541 + delta_h -200.464 #kJ/mol #08bla + -analytic -2.5875779E3 -3.5298441E-1 1.6180839E5 9.1700928E2 -9.5494778E6 + Chamosite(Daphnite) -Fe5Al(AlSi3)O10(OH)8 + 16H+ = 2Al+3 + 5Fe+2 + 3H4SiO4 + 6H2O - log_k 47.603 - delta_h -497.518 #kJ/mol #01vid/par - -analytic -3.7422355E+3 -5.4789298E-1 2.3185338E+5 1.338448E+3 -1.2120616E+7 +Fe5Al(AlSi3)O10(OH)8 + 16 H+ = 2 Al+3 + 5 Fe+2 + 3 H4SiO4 + 6 H2O + log_k 47.603 + delta_h -497.518 #kJ/mol #01vid/par + -analytic -3.7422355E3 -5.4789298E-1 2.3185338E5 1.338448E3 -1.2120616E7 + Chrysotile -Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + 1H2O - log_k 33.182 - delta_h -244.552 #kJ/mol #04eva - -analytic -1.8039877E+3 -2.4743291E-1 1.1552931E+5 6.4375706E+2 -6.1763163E+6 +Mg3Si2O5(OH)4 + 6 H+ = 3 Mg+2 + 2 H4SiO4 + H2O + log_k 33.182 + delta_h -244.552 #kJ/mol #04eva + -analytic -1.8039877E3 -2.4743291E-1 1.1552931E5 6.4375706E2 -6.1763163E6 + Clinochlore -Mg5Al(AlSi3)O10(OH)8 + 16H+ = 2Al+3 + 5Mg+2 + 3H4SiO4 + 6H2O - log_k 61.706 - delta_h -593.773 #kJ/mol #05vid/par - -analytic -3.933293E+3 -5.6860144E-1 2.4698841E+5 1.4055516E+3 -1.2607E+7 +Mg5Al(AlSi3)O10(OH)8 + 16 H+ = 2 Al+3 + 5 Mg+2 + 3 H4SiO4 + 6 H2O + log_k 61.706 + delta_h -593.773 #kJ/mol #05vid/par + -analytic -3.933293E3 -5.6860144E-1 2.4698841E5 1.4055516E3 -1.2607E7 + Clinoptilolite(Ca) -Ca0.55(Si4.9Al1.1)O12:3.9H2O + 4.400H+ + 3.700H2O = 1.100Al+3 + 0.550Ca+2 + 4.900H4SiO4 - log_k -2.085 - delta_h -58.407 #kJ/mol #09bla - -analytic -2.3815518E+3 -3.0085981E-1 1.4942318E+5 8.390927E+2 -9.6254008E+6 +Ca0.55(Si4.9Al1.1)O12:3.9H2O + 4.4 H+ + 3.7 H2O = 1.1 Al+3 + 0.55 Ca+2 + 4.9 H4SiO4 + log_k -2.085 + delta_h -58.407 #kJ/mol #09bla + -analytic -2.3815518E3 -3.0085981E-1 1.4942318E5 8.390927E2 -9.6254008E6 + Clinoptilolite(K) -K1.1(Si4.9Al1.1)O12:2.7H2O + 4.400H+ + 4.900H2O = 1.100Al+3 + 1.100K+ + 4.900H4SiO4 - log_k -1.142 - delta_h -49.035 #kJ/mol #09bla - -analytic -2.3148616E+3 -2.905299E-1 1.4612903E+5 8.1530832E+2 -9.5298429E+6 +K1.1(Si4.9Al1.1)O12:2.7H2O + 4.4 H+ + 4.9 H2O = 1.1 Al+3 + 1.1 K+ + 4.9 H4SiO4 + log_k -1.142 + delta_h -49.035 #kJ/mol #09bla + -analytic -2.3148616E3 -2.905299E-1 1.4612903E5 8.1530832E2 -9.5298429E6 + Clinoptilolite(Na) -Na1.1(Si4.9Al1.1)O12:3.5H2O + 4.400H+ + 4.100H2O = 1.100Al+3 + 1.100Na+ + 4.900H4SiO4 - log_k -0.113 - delta_h -50.769 #kJ/mol #09bla - -analytic -2.3846087E+3 -2.9645291E-1 1.4988094E+5 8.401942E+2 -9.6738611E+6 +Na1.1(Si4.9Al1.1)O12:3.5H2O + 4.4 H+ + 4.1 H2O = 1.1 Al+3 + 1.1 Na+ + 4.9 H4SiO4 + log_k -0.113 + delta_h -50.769 #kJ/mol #09bla + -analytic -2.3846087E3 -2.9645291E-1 1.4988094E5 8.401942E2 -9.6738611E6 + Cordierite -Mg2Al3(AlSi5)O18 + 16H+ + 2H2O = 4Al+3 + 2Mg+2 + 5H4SiO4 - log_k 49.433 - delta_h -648.745 #kJ/mol #95rob/hem - -analytic -4.3696636E+3 -6.2958321E-1 2.8022776E+5 1.5507866E+3 -1.5147654E+7 +Mg2Al3(AlSi5)O18 + 16 H+ + 2 H2O = 4 Al+3 + 2 Mg+2 + 5 H4SiO4 + log_k 49.433 + delta_h -648.745 #kJ/mol #95rob/hem + -analytic -4.3696636E3 -6.2958321E-1 2.8022776E5 1.5507866E3 -1.5147654E7 + Cristobalite # (alpha) -SiO2 + 2H2O = 1H4SiO4 - log_k -3.158 - delta_h 18.829 #kJ/mol #04fab/sax - -analytic -3.544017E+2 -4.1702635E-2 2.2114271E+4 1.2427357E+2 -1.6001472E+6 +SiO2 + 2 H2O = H4SiO4 + log_k -3.158 + delta_h 18.829 #kJ/mol #04fab/sax + -analytic -3.544017E2 -4.1702635E-2 2.2114271E4 1.2427357E2 -1.6001472E6 + # Cristobalite(beta) # SiO2 + 2H2O = 1H4SiO4 - # log_k -3.096 - # #delta_h 0 #kJ/mol - # -analytic -3.6088361E+2 -4.1957223E-2 2.2873339E+4 1.2628239E+2 -1.6799304E+6 +# log_k -3.096 +# #delta_h 0 #kJ/mol +# -analytic -3.6088361E+2 -4.1957223E-2 2.2873339E+4 1.2628239E+2 -1.6799304E+6 + Dawsonite -NaAlCO3(OH)2 + 3H+ = 1Al+3 + 1HCO3- + 1Na+ + 2H2O - log_k 4.327 - delta_h -76.330 #kJ/mol #76fer/stu - -analytic -1.21599E+3 -1.9110794E-1 6.8919359E+4 4.3970018E+2 -3.7220307E+6 +NaAlCO3(OH)2 + 3 H+ = Al+3 + HCO3- + Na+ + 2 H2O + log_k 4.327 + delta_h -76.33 #kJ/mol #76fer/stu + -analytic -1.21599E3 -1.9110794E-1 6.8919359E4 4.3970018E2 -3.7220307E6 + Diaspore -AlO(OH) + 3H+ = 1Al+3 + 2H2O - log_k 6.866 - delta_h -108.760 #kJ/mol #95rob/hem - -analytic -4.8201662E+2 -7.7930965E-2 2.9964822E+4 1.7237439E+2 -1.3257386E+6 +AlO(OH) + 3 H+ = Al+3 + 2 H2O + log_k 6.866 + delta_h -108.76 #kJ/mol #95rob/hem + -analytic -4.8201662E2 -7.7930965E-2 2.9964822E4 1.7237439E2 -1.3257386E6 + Diopside -CaMg(SiO3)2 + 4H+ + 2H2O = 1Ca+2 + 1Mg+2 + 2H4SiO4 - log_k 21.743 - delta_h -153.574 #kJ/mol #Internal calculation - -analytic -1.332806E+3 -1.8198553E-1 8.603858E+4 4.749095E+2 -4.8802351E+6 +CaMg(SiO3)2 + 4 H+ + 2 H2O = Ca+2 + Mg+2 + 2 H4SiO4 + log_k 21.743 + delta_h -153.574 #kJ/mol #Internal calculation + -analytic -1.332806E3 -1.8198553E-1 8.603858E4 4.749095E2 -4.8802351E6 + Dolomite(disordered) -CaMg(CO3)2 + 2H+ = 2HCO3- + 1Ca+2 + 1Mg+2 - log_k 4.299 - delta_h -73.162 #kJ/mol #78hel/del,92ajoh - -analytic -1.7814432E+3 -2.8852695E-1 9.9263747E+4 6.4714027E+2 -5.5533944E+6 +CaMg(CO3)2 + 2 H+ = 2 HCO3- + Ca+2 + Mg+2 + log_k 4.299 + delta_h -73.162 #kJ/mol #78hel/del,92ajoh + -analytic -1.7814432E3 -2.8852695E-1 9.9263747E4 6.4714027E2 -5.5533944E6 + Edenite # (alpha) -Na(Ca2Mg5)(AlSi7)O22(OH)2 + 18H+ + 4H2O = 1Al+3 + 2Ca+2 + 5Mg+2 + 1Na+ + 7H4SiO4 - log_k 81.946 - delta_h -679.296 #kJ/mol #97got - -analytic -5.4623009E+3 -7.5241996E-1 3.5051336E+5 1.9444511E+3 -1.942E+7 +Na(Ca2Mg5)(AlSi7)O22(OH)2 + 18 H+ + 4 H2O = Al+3 + 2 Ca+2 + 5 Mg+2 + Na+ + 7 H4SiO4 + log_k 81.946 + delta_h -679.296 #kJ/mol #97got + -analytic -5.4623009E3 -7.5241996E-1 3.5051336E5 1.9444511E3 -1.942E7 + Enstatite # (alpha) -MgSiO3 + 2H+ + 1H2O = 1Mg+2 + 1H4SiO4 - log_k 11.844 - delta_h -93.265 #kJ/mol #78hel/del - -analytic -7.0139177E+2 -9.4618096E-2 4.5846726E+4 2.4912172E+2 -2.5565294E+6 +MgSiO3 + 2 H+ + H2O = Mg+2 + H4SiO4 + log_k 11.844 + delta_h -93.265 #kJ/mol #78hel/del + -analytic -7.0139177E2 -9.4618096E-2 4.5846726E4 2.4912172E2 -2.5565294E6 + Epidote -Ca2FeAl2Si3O12(OH) + 13H+ = 2Al+3 + 2Ca+2 + 1Fe+3 + 3H4SiO4 + 1H2O - log_k 32.230 - delta_h -411.613 #kJ/mol #04got - -analytic -3.1567388E+3 -4.6487997E-1 1.9676775E+5 1.1260692E+3 -1.0558252E+7 +Ca2FeAl2Si3O12(OH) + 13 H+ = 2 Al+3 + 2 Ca+2 + Fe+3 + 3 H4SiO4 + H2O + log_k 32.23 + delta_h -411.613 #kJ/mol #04got + -analytic -3.1567388E3 -4.6487997E-1 1.9676775E5 1.1260692E3 -1.0558252E7 + Fayalite -Fe2SiO4 + 4H+ = 2Fe+2 + 1H4SiO4 - log_k 19.030 - delta_h -157.157 #kJ/mol #Internal calculation - -analytic -1.0258478E+3 -1.4618015E-1 6.6129821E+4 3.6618221E+2 -3.5053712E+6 +Fe2SiO4 + 4 H+ = 2 Fe+2 + H4SiO4 + log_k 19.03 + delta_h -157.157 #kJ/mol #Internal calculation + -analytic -1.0258478E3 -1.4618015E-1 6.6129821E4 3.6618221E2 -3.5053712E6 + Ferroactinolite # = Ferrotremolite -(Ca2Fe5)Si8O22(OH)2 + 14H+ + 8H2O = 2Ca+2 + 5Fe+2 + 8H4SiO4 - log_k 53.699 - delta_h -412.225 #kJ/mol #Internal calculation - -analytic -4.942592E+3 -6.6976495E-1 3.1400258E+5 1.7585882E+3 -1.8552107E+7 +(Ca2Fe5)Si8O22(OH)2 + 14 H+ + 8 H2O = 2 Ca+2 + 5 Fe+2 + 8 H4SiO4 + log_k 53.699 + delta_h -412.225 #kJ/mol #Internal calculation + -analytic -4.942592E3 -6.6976495E-1 3.1400258E5 1.7585882E3 -1.8552107E7 + Fluorapatite # (Natur) -Ca5(PO4)3F + 6H+ = 5Ca+2 + 1F- + 3H2PO4- - log_k -0.910 - delta_h -115.601 #kJ/mol #Internal calculation - -analytic -3.7675938E+3 -6.2227437E-1 2.0719593E+5 1.369906E+3 -1.1775417E+7 +Ca5(PO4)3F + 6 H+ = 5 Ca+2 + F- + 3 H2PO4- + log_k -0.91 + delta_h -115.601 #kJ/mol #Internal calculation + -analytic -3.7675938E3 -6.2227437E-1 2.0719593E5 1.369906E3 -1.1775417E7 + Forsterite -Mg2SiO4 + 4H+ = 2Mg+2 + 1H4SiO4 - log_k 28.609 - delta_h -217.115 #kJ/mol #Internal calculation - -analytic -1.0983766E+3 -1.5385695E-1 7.321503E+4 3.91599E+2 -3.7061609E+6 +Mg2SiO4 + 4 H+ = 2 Mg+2 + H4SiO4 + log_k 28.609 + delta_h -217.115 #kJ/mol #Internal calculation + -analytic -1.0983766E3 -1.5385695E-1 7.321503E4 3.91599E2 -3.7061609E6 + Glauconite -(K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 + 7H+ + 3H2O = 0.500Al+3 + 1.250Fe+3 + 0.750K+ + 0.250Mg+2 + 3.750H4SiO4 + 0.250Fe+2 - log_k 1.873 - delta_h -120.903 #kJ/mol #15bla/vie - -analytic -2.3976207E+3 -3.2091227E-1 1.4807364E+5 8.4865741E+2 -9.0151175E+6 +(K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 + 7 H+ + 3 H2O = 0.5 Al+3 + 1.25 Fe+3 + 0.75 K+ + 0.25 Mg+2 + 3.75 H4SiO4 + 0.25 Fe+2 + log_k 1.873 + delta_h -120.903 #kJ/mol #15bla/vie + -analytic -2.3976207E3 -3.2091227E-1 1.4807364E5 8.4865741E2 -9.0151175E6 + Glaucophane -Na2(Mg3Al2)Si8O22(OH)2 + 14H+ + 8H2O = 2Al+3 + 3Mg+2 + 2Na+ + 8H4SiO4 - log_k 37.026 - delta_h -378.727 #kJ/mol #95rob/hem - -analytic -5.095188E+3 -6.8518568E-1 3.2040873E+5 1.8087612E+3 -1.9006796E+7 +Na2(Mg3Al2)Si8O22(OH)2 + 14 H+ + 8 H2O = 2 Al+3 + 3 Mg+2 + 2 Na+ + 8 H4SiO4 + log_k 37.026 + delta_h -378.727 #kJ/mol #95rob/hem + -analytic -5.095188E3 -6.8518568E-1 3.2040873E5 1.8087612E3 -1.9006796E7 + Grossular -Ca3Al2Si3O12 + 12H+ = 2Al+3 + 3Ca+2 + 3H4SiO4 - log_k 49.372 - delta_h -442.383 #kJ/mol #95rob/hem - -analytic -2.9566754E+3 -4.3410622E-1 1.8868769E+5 1.057027E+3 -1.0038715E+7 +Ca3Al2Si3O12 + 12 H+ = 2 Al+3 + 3 Ca+2 + 3 H4SiO4 + log_k 49.372 + delta_h -442.383 #kJ/mol #95rob/hem + -analytic -2.9566754E3 -4.3410622E-1 1.8868769E5 1.057027E3 -1.0038715E7 # Hornblende # see Actinolite, Edenite, Pargasite, Ferroactinolite -Heulandite(Na) -Na2.14Al2.14Si6.86O18:6.17H2O + 8.560H+ + 3.270H2O = 2.140Al+3 + 2.140Na+ + 6.860H4SiO4 - log_k 2.797 - delta_h -126.775 #kJ/mol #09bla - -analytic -3.7890714E+3 -4.9720069E-1 2.3269508E+5 1.3423841E+3 -1.4400431E+7 Heulandite(Ca) -Ca1.07Al2.14Si6.86O18:6.17H2O + 8.560H+ + 3.270H2O = 2.140Al+3 + 1.070Ca+2 + 6.860H4SiO4 - log_k 2.457 - delta_h -139.108 #kJ/mol #09bla - -analytic -3.7607701E+3 -5.0483789E-1 2.3083824E+5 1.3337643E+3 -1.4294418E+7 +Ca1.07Al2.14Si6.86O18:6.17H2O + 8.56 H+ + 3.27 H2O = 2.14 Al+3 + 1.07 Ca+2 + 6.86 H4SiO4 + log_k 2.457 + delta_h -139.108 #kJ/mol #09bla + -analytic -3.7607701E3 -5.0483789E-1 2.3083824E5 1.3337643E3 -1.4294418E7 + # Ilmenite # Ti not in phreeqc.dat # FeTiO3 + 2H+ + 1H2O = 1Fe+2 + 1Ti(OH)4 - # log_k 1.816 - # delta_h -87.445 #kJ/mol #Internal calculation - # -analytic -7.7719505E+2 -8.1479565E-2 4.34898E+4 2.7302259E+2 -1.612373E+6 +# log_k 1.816 +# delta_h -87.445 #kJ/mol #Internal calculation +# -analytic -7.7719505E+2 -8.1479565E-2 4.34898E+4 2.7302259E+2 -1.612373E+6 + +Heulandite(Na) +Na2.14Al2.14Si6.86O18:6.17H2O + 8.56 H+ + 3.27 H2O = 2.14 Al+3 + 2.14 Na+ + 6.86 H4SiO4 + log_k 2.797 + delta_h -126.775 #kJ/mol #09bla + -analytic -3.7890714E3 -4.9720069E-1 2.3269508E5 1.3423841E3 -1.4400431E7 + Jadeite -NaAl(SiO3)2 + 4H+ + 2H2O = 1Al+3 + 1Na+ + 2H4SiO4 - log_k 7.561 - delta_h -95.502 #kJ/mol #95rob/hem - -analytic -1.3237509E+3 -1.8118316E-1 8.2628986E+4 4.7016122E+2 -4.9060741E+6 +NaAl(SiO3)2 + 4 H+ + 2 H2O = Al+3 + Na+ + 2 H4SiO4 + log_k 7.561 + delta_h -95.502 #kJ/mol #95rob/hem + -analytic -1.3237509E3 -1.8118316E-1 8.2628986E4 4.7016122E2 -4.9060741E6 + Kyanite -Al2SiO5 + 6H+ = 2Al+3 + 1H4SiO4 + 1H2O - log_k 15.936 - delta_h -240.322 #kJ/mol #Internal calculation - -analytic -1.3447799E+3 -2.0581745E-1 8.5324148E+4 4.7877192E+2 -4.3369481E+6 -Labradorite # defined for elemental release +Al2SiO5 + 6 H+ = 2 Al+3 + H4SiO4 + H2O + log_k 15.936 + delta_h -240.322 #kJ/mol #Internal calculation + -analytic -1.3447799E3 -2.0581745E-1 8.5324148E4 4.7877192E2 -4.3369481E6 + +Labradorite # defined for elemental release Na0.4Ca0.6Si2.4Al1.6O8 + 8 H2O = 0.4 Na+ + 0.6 Ca+2 + 2.4 H4SiO4 + 1.6 Al(OH)4- Larnite(alpha) -Ca2SiO4 + 4H+ = 2Ca+2 + 1H4SiO4 - log_k 39.044 - delta_h -238.161 #kJ/mol #95rob/hem - -analytic -8.9908942E+2 -1.301379E-1 6.3335055E+4 3.2296168E+2 -3.0793446E+6 +Ca2SiO4 + 4 H+ = 2 Ca+2 + H4SiO4 + log_k 39.044 + delta_h -238.161 #kJ/mol #95rob/hem + -analytic -8.9908942E2 -1.301379E-1 6.3335055E4 3.2296168E2 -3.0793446E6 + Larnite(beta) -Ca2SiO4 + 4H+ = 2Ca+2 + 1H4SiO4 - log_k 39.322 - #delta_h 0 #kJ/mol - -analytic -9.0365527E+2 -1.3027777E-1 6.4015139E+4 3.243254E+2 -3.1477489E+6 +Ca2SiO4 + 4 H+ = 2 Ca+2 + H4SiO4 + log_k 39.322 +#delta_h 0 #kJ/mol + -analytic -9.0365527E2 -1.3027777E-1 6.4015139E4 3.243254E2 -3.1477489E6 + Larnite(gamma) -Ca2SiO4 + 4H+ = 2Ca+2 + 1H4SiO4 - log_k 41.444 - #delta_h 0 #kJ/mol - -analytic -8.7896206E+2 -1.2907359E-1 6.3430487E+4 3.1585123E+2 -3.1477489E+6 +Ca2SiO4 + 4 H+ = 2 Ca+2 + H4SiO4 + log_k 41.444 +#delta_h 0 #kJ/mol + -analytic -8.7896206E2 -1.2907359E-1 6.3430487E4 3.1585123E2 -3.1477489E6 + Laumontite -Ca(Al2Si4)O12:4H2O + 8H+ = 2Al+3 + 1Ca+2 + 4H4SiO4 - log_k 11.695 - delta_h -204.244 #kJ/mol #96kis/nav - -analytic -2.6447429E+3 -3.6684244E-1 1.6419074E+5 9.3900001E+2 -9.6343473E+6 +Ca(Al2Si4)O12:4H2O + 8 H+ = 2 Al+3 + Ca+2 + 4 H4SiO4 + log_k 11.695 + delta_h -204.244 #kJ/mol #96kis/nav + -analytic -2.6447429E3 -3.6684244E-1 1.6419074E5 9.3900001E2 -9.6343473E6 + Leonhardtite -MgSO4:4H2O = 1Mg+2 + 1SO4-2 + 4H2O - log_k -0.886 - delta_h -24.030 #kJ/mol #74nau/ryz - -analytic -1.8009396E+3 -2.6450971E-1 9.9216758E+4 6.5010323E+2 -5.5554353E+6 +MgSO4:4H2O = Mg+2 + SO4-2 + 4 H2O + log_k -0.886 + delta_h -24.03 #kJ/mol #74nau/ryz + -analytic -1.8009396E3 -2.6450971E-1 9.9216758E4 6.5010323E2 -5.5554353E6 + Leucite # minteq.dat - KAlSi2O6 + 2H2O + 4H+ = 2H4SiO4 + Al+3 + K+ - log_k 6.423 - delta_h -22.085 kcal +KAlSi2O6 + 2 H2O + 4 H+ = 2 H4SiO4 + Al+3 + K+ + log_k 6.423 + delta_h -22.085 kcal + Lizardite -Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + 1H2O - log_k 33.093 - delta_h -242.552 #kJ/mol #04eva - -analytic -1.8045338E+3 -2.475614E-1 1.1546724E+5 6.4405193E+2 -6.1786442E+6 +Mg3Si2O5(OH)4 + 6 H+ = 3 Mg+2 + 2 H4SiO4 + H2O + log_k 33.093 + delta_h -242.552 #kJ/mol #04eva + -analytic -1.8045338E3 -2.475614E-1 1.1546724E5 6.4405193E2 -6.1786442E6 + Magnetite -Fe3O4 + 8H+ = 2Fe+3 + 1Fe+2 + 4H2O - log_k 10.362 - delta_h -215.594 #kJ/mol #90hem - -analytic -1.3520774E+3 -2.1498134E-1 8.0017747E+4 4.8502632E+2 -3.7344997E+6 +Fe3O4 + 8 H+ = 2 Fe+3 + Fe+2 + 4 H2O + log_k 10.362 + delta_h -215.594 #kJ/mol #90hem + -analytic -1.3520774E3 -2.1498134E-1 8.0017747E4 4.8502632E2 -3.7344997E6 + Microcline -K(AlSi3)O8 + 4H+ + 4H2O = 1Al+3 + 1K+ + 3H4SiO4 - log_k 0.015 - delta_h -49.203 #kJ/mol #95rob/hem - -analytic -1.6018728E+3 -2.1339241E-1 9.9207574E+4 5.6723025E+2 -6.2943433E+6 +K(AlSi3)O8 + 4 H+ + 4 H2O = Al+3 + K+ + 3 H4SiO4 + log_k 0.015 + delta_h -49.203 #kJ/mol #95rob/hem + -analytic -1.6018728E3 -2.1339241E-1 9.9207574E4 5.6723025E2 -6.2943433E6 + Montmorillonite(HcCa) -Ca0.3Mg0.6Al1.4Si4O10(OH)2 + 6H+ + 4H2O = 1.400Al+3 + 0.300Ca+2 + 0.600Mg+2 + 4H4SiO4 - log_k 6.903 - delta_h -154.564 #kJ/mol #15bla/vie - -analytic -2.3616529E+3 -3.1379357E-1 1.4899818E+5 8.3431323E+2 -9.0744862E+6 +Ca0.3Mg0.6Al1.4Si4O10(OH)2 + 6 H+ + 4 H2O = 1.4 Al+3 + 0.3 Ca+2 + 0.6 Mg+2 + 4 H4SiO4 + log_k 6.903 + delta_h -154.564 #kJ/mol #15bla/vie + -analytic -2.3616529E3 -3.1379357E-1 1.4899818E5 8.3431323E2 -9.0744862E6 + Montmorillonite(HcK) -K0.6Mg0.6Al1.4Si4O10(OH)2 + 6H+ + 4H2O = 1.400Al+3 + 0.600K+ + 0.600Mg+2 + 4H4SiO4 - log_k 4.449 - delta_h -119.628 #kJ/mol #15bla/vie - -analytic -2.3324885E+3 -3.0832834E-1 1.4605682E+5 8.2462838E+2 -9.022722E+6 +K0.6Mg0.6Al1.4Si4O10(OH)2 + 6 H+ + 4 H2O = 1.4 Al+3 + 0.6 K+ + 0.6 Mg+2 + 4 H4SiO4 + log_k 4.449 + delta_h -119.628 #kJ/mol #15bla/vie + -analytic -2.3324885E3 -3.0832834E-1 1.4605682E5 8.2462838E2 -9.022722E6 + Montmorillonite(HcMg) -Mg0.3Mg0.6Al1.4Si4O10(OH)2 + 6H+ + 4H2O = 1.400Al+3 + 0.900Mg+2 + 4H4SiO4 - log_k 5.996 - delta_h -156.964 #kJ/mol #15bla/vie - -analytic -2.3909331E+3 -3.1726069E-1 1.5070041E+5 8.4429278E+2 -9.163021E+6 +Mg0.3Mg0.6Al1.4Si4O10(OH)2 + 6 H+ + 4 H2O = 1.4 Al+3 + 0.9 Mg+2 + 4 H4SiO4 + log_k 5.996 + delta_h -156.964 #kJ/mol #15bla/vie + -analytic -2.3909331E3 -3.1726069E-1 1.5070041E5 8.4429278E2 -9.163021E6 + Montmorillonite(HcNa) -Na0.6Mg0.6Al1.4Si4O10(OH)2 + 6H+ + 4H2O = 1.400Al+3 + 0.600Mg+2 + 0.600Na+ + 4H4SiO4 - log_k 5.472 - delta_h -135.658 #kJ/mol #15bla/vie - -analytic -2.3671642E+3 -3.1193536E-1 1.486659E+5 8.3634354E+2 -9.1085654E+6 +Na0.6Mg0.6Al1.4Si4O10(OH)2 + 6 H+ + 4 H2O = 1.4 Al+3 + 0.6 Mg+2 + 0.6 Na+ + 4 H4SiO4 + log_k 5.472 + delta_h -135.658 #kJ/mol #15bla/vie + -analytic -2.3671642E3 -3.1193536E-1 1.486659E5 8.3634354E2 -9.1085654E6 + Montmorillonite(MgCa) -Ca0.17Mg0.34Al1.66Si4O10(OH)2 + 6H+ + 4H2O = 1.660Al+3 + 0.170Ca+2 + 0.340Mg+2 + 4H4SiO4 - log_k 4.222 - delta_h -146.668 #kJ/mol #15bla/vie - -analytic -2.3648299E+3 -3.1580182E-1 1.4861699E+5 8.3532612E+2 -9.0862785E+6 +Ca0.17Mg0.34Al1.66Si4O10(OH)2 + 6 H+ + 4 H2O = 1.66 Al+3 + 0.17 Ca+2 + 0.34 Mg+2 + 4 H4SiO4 + log_k 4.222 + delta_h -146.668 #kJ/mol #15bla/vie + -analytic -2.3648299E3 -3.1580182E-1 1.4861699E5 8.3532612E2 -9.0862785E6 + Montmorillonite(MgK) -K0.34Mg0.34Al1.66Si4O10(OH)2 + 6H+ + 4H2O = 1.660Al+3 + 0.340K+ + 0.340Mg+2 + 4H4SiO4 - log_k 2.830 - delta_h -126.865 #kJ/mol #15bla/vie - -analytic -2.3483045E+3 -3.1270489E-1 1.4694997E+5 8.2983827E+2 -9.056946E+6 +K0.34Mg0.34Al1.66Si4O10(OH)2 + 6 H+ + 4 H2O = 1.66 Al+3 + 0.34 K+ + 0.34 Mg+2 + 4 H4SiO4 + log_k 2.83 + delta_h -126.865 #kJ/mol #15bla/vie + -analytic -2.3483045E3 -3.1270489E-1 1.4694997E5 8.2983827E2 -9.056946E6 + Montmorillonite(MgMg) -Mg0.17Mg0.34Al1.66Si4O10(OH)2 + 6H+ + 4H2O = 1.660Al+3 + 0.510Mg+2 + 4H4SiO4 - log_k 3.708 - delta_h -148.028 #kJ/mol #15bla/vie - -analytic -2.3814282E+3 -3.1776702E-1 1.4958186E+5 8.4098328E+2 -9.1364559E+6 +Mg0.17Mg0.34Al1.66Si4O10(OH)2 + 6 H+ + 4 H2O = 1.66 Al+3 + 0.51 Mg+2 + 4 H4SiO4 + log_k 3.708 + delta_h -148.028 #kJ/mol #15bla/vie + -analytic -2.3814282E3 -3.1776702E-1 1.4958186E5 8.4098328E2 -9.1364559E6 + Montmorillonite(MgNa) -Na0.34Mg0.34Al1.66Si4O10(OH)2 + 6H+ + 4H2O = 1.660Al+3 + 0.340Mg+2 + 0.340Na+ + 4H4SiO4 - log_k 3.411 - delta_h -135.953 #kJ/mol #15bla/vie - -analytic -2.3679565E+3 -3.1474933E-1 1.4842879E+5 8.3647775E+2 -9.1055977E+6 +Na0.34Mg0.34Al1.66Si4O10(OH)2 + 6 H+ + 4 H2O = 1.66 Al+3 + 0.34 Mg+2 + 0.34 Na+ + 4 H4SiO4 + log_k 3.411 + delta_h -135.953 #kJ/mol #15bla/vie + -analytic -2.3679565E3 -3.1474933E-1 1.4842879E5 8.3647775E2 -9.1055977E6 + MordeniteB # (Ca) -Ca0.515Al1.03Si4.97O12:3.1H2O + 4.120H+ + 4.780H2O = 1.030Al+3 + 0.515Ca+2 + 4.970H4SiO4 - log_k -2.898 - delta_h -56.278 #kJ/mol #09bla - -analytic -2.3577543E+3 -2.9682032E-1 1.4847577E+5 8.2993876E+2 -9.6241393E+6 +Ca0.515Al1.03Si4.97O12:3.1H2O + 4.12 H+ + 4.78 H2O = 1.03 Al+3 + 0.515 Ca+2 + 4.97 H4SiO4 + log_k -2.898 + delta_h -56.278 #kJ/mol #09bla + -analytic -2.3577543E3 -2.9682032E-1 1.4847577E5 8.2993876E2 -9.6241393E6 + MordeniteJ -Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O + 3.760H+ + 4.772H2O = 0.940Al+3 + 0.289Ca+2 + 0.362Na+ + 5.060H4SiO4 - log_k -4.160 - delta_h -29.442 #kJ/mol #92joh/tas - -analytic -2.3112502E+3 -2.9430315E-1 1.4403365E+5 8.1541676E+2 -9.418252E+6 +Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O + 3.76 H+ + 4.772 H2O = 0.94 Al+3 + 0.289 Ca+2 + 0.362 Na+ + 5.06 H4SiO4 + log_k -4.16 + delta_h -29.442 #kJ/mol #92joh/tas + -analytic -2.3112502E3 -2.9430315E-1 1.4403365E5 8.1541676E2 -9.418252E6 + Muscovite # (ordered) -KAl2(AlSi3)O10(OH)2 + 10H+ = 3Al+3 + 1K+ + 3H4SiO4 - log_k 11.353 - delta_h -253.923 #kJ/mol #06bla/pia - -analytic -2.5862792E+3 -3.7607072E-1 1.5907562E+5 9.2024545E+2 -8.9668534E+6 +KAl2(AlSi3)O10(OH)2 + 10 H+ = 3 Al+3 + K+ + 3 H4SiO4 + log_k 11.353 + delta_h -253.923 #kJ/mol #06bla/pia + -analytic -2.5862792E3 -3.7607072E-1 1.5907562E5 9.2024545E2 -8.9668534E6 + Natrolite -Na2(Al2Si3)O10:2H2O + 8H+ = 2Al+3 + 2Na+ + 3H4SiO4 - log_k 19.326 - delta_h -215.463 #kJ/mol #83joh/flo - -analytic -2.303612E+3 -3.1993458E-1 1.4352482E+5 8.1980235E+2 -8.1431211E+6 +Na2(Al2Si3)O10:2H2O + 8 H+ = 2 Al+3 + 2 Na+ + 3 H4SiO4 + log_k 19.326 + delta_h -215.463 #kJ/mol #83joh/flo + -analytic -2.303612E3 -3.1993458E-1 1.4352482E5 8.1980235E2 -8.1431211E6 + Nepheline -Na(AlSi)O4 + 4H+ = 1Al+3 + 1Na+ + 1H4SiO4 - log_k 14.077 - delta_h -144.506 #kJ/mol #Internal calculation - -analytic -9.7409139E+2 -1.3955693E-1 6.2423687E+4 3.467383E+2 -3.3400695E+6 +Na(AlSi)O4 + 4 H+ = Al+3 + Na+ + H4SiO4 + log_k 14.077 + delta_h -144.506 #kJ/mol #Internal calculation + -analytic -9.7409139E2 -1.3955693E-1 6.2423687E4 3.467383E2 -3.3400695E6 + Oligoclase # defined for elemental release Na0.8Ca0.2Si2.8Al1.2O8 + 8 H2O = 0.8 Na+ + 0.2 Ca+2 + 2.8 H4SiO4 + 1.2 Al(OH)4- @@ -2261,155 +2326,181 @@ Palygorskite # defined for elemental release Mg2Al2Si8O20(OH)2:8H2O + 10 H+ + 2 H2O = 2 Mg+2 + 2 Al+3 + 8 H4SiO4 Paragonite -NaAl2(AlSi3)O10(OH)2 + 10H+ = 3Al+3 + 1Na+ + 3H4SiO4 - log_k 16.804 - delta_h -294.623 #kJ/mol #96rou/hov - -analytic -2.6452559E+3 -3.8247258E-1 1.64246E+5 9.4070011E+2 -9.1107641E+6 +NaAl2(AlSi3)O10(OH)2 + 10 H+ = 3 Al+3 + Na+ + 3 H4SiO4 + log_k 16.804 + delta_h -294.623 #kJ/mol #96rou/hov + -analytic -2.6452559E3 -3.8247258E-1 1.64246E5 9.4070011E2 -9.1107641E6 + Pargasite # Hornblende -Na(Ca2Mg4Al)(Al2Si6)O22(OH)2 + 22H+ = 3Al+3 + 2Ca+2 + 4Mg+2 + 1Na+ + 6H4SiO4 - log_k 104.557 - delta_h -940.614 #kJ/mol #Internal calculation - -analytic -5.7962939E+3 -8.2700886E-1 3.7555969E+5 2.0652064E+3 -1.9772394E+7 +Na(Ca2Mg4Al)(Al2Si6)O22(OH)2 + 22 H+ = 3 Al+3 + 2 Ca+2 + 4 Mg+2 + Na+ + 6 H4SiO4 + log_k 104.557 + delta_h -940.614 #kJ/mol #Internal calculation + -analytic -5.7962939E3 -8.2700886E-1 3.7555969E5 2.0652064E3 -1.9772394E7 + Phlogopite -KMg3(AlSi3)O10(OH)2 + 10H+ = 1Al+3 + 1K+ + 3Mg+2 + 3H4SiO4 - log_k 41.098 - delta_h -353.123 #kJ/mol #92cir/nav - -analytic -2.7194067E+3 -3.8106546E-1 1.7318081E+5 9.69566E+2 -9.4102646E+6 +KMg3(AlSi3)O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Mg+2 + 3 H4SiO4 + log_k 41.098 + delta_h -353.123 #kJ/mol #92cir/nav + -analytic -2.7194067E3 -3.8106546E-1 1.7318081E5 9.69566E2 -9.4102646E6 + Prehnite -Ca2Al2Si3O10(OH)2 + 10H+ = 2Al+3 + 2Ca+2 + 3H4SiO4 - log_k 32.596 - delta_h -339.617 #kJ/mol #98cha/kru - -analytic -2.6255465E+3 -3.8041883E-1 1.6586587E+5 9.3642007E+2 -9.0549681E+6 +Ca2Al2Si3O10(OH)2 + 10 H+ = 2 Al+3 + 2 Ca+2 + 3 H4SiO4 + log_k 32.596 + delta_h -339.617 #kJ/mol #98cha/kru + -analytic -2.6255465E3 -3.8041883E-1 1.6586587E5 9.3642007E2 -9.0549681E6 + Pyrophyllite -Al2Si4O10(OH)2 + 6H+ + 4H2O = 2Al+3 + 4H4SiO4 - log_k -0.418 - delta_h -128.924 #kJ/mol #95rob/hem - -analytic -2.3595061E+3 -3.237303E-1 1.4585394E+5 8.3524091E+2 -8.9193526E+6 +Al2Si4O10(OH)2 + 6 H+ + 4 H2O = 2 Al+3 + 4 H4SiO4 + log_k -0.418 + delta_h -128.924 #kJ/mol #95rob/hem + -analytic -2.3595061E3 -3.237303E-1 1.4585394E5 8.3524091E2 -8.9193526E6 + Pyrrhotite(Hx) # Pyrrhotite -FeS + 1H+ = 1Fe+2 + 1HS- - log_k -3.679 - delta_h -10.009 #kJ/mol #05wal/pel - -analytic -1.1321823E+3 -1.8235764E-1 6.1304821E+4 4.1103628E+2 -3.5403537E+6 +FeS + H+ = Fe+2 + HS- + log_k -3.679 + delta_h -10.009 #kJ/mol #05wal/pel + -analytic -1.1321823E3 -1.8235764E-1 6.1304821E4 4.1103628E2 -3.5403537E6 + Pyrrhotite(Mc) # Pyrrhotite -FeS + 1H+ = 1Fe+2 + 1HS- - log_k -3.679 - delta_h -10.009 #kJ/mol #05wal/pel - -analytic -1.1321823E+3 -1.8235764E-1 6.1304821E+4 4.1103628E+2 -3.5403537E+6 +FeS + H+ = Fe+2 + HS- + log_k -3.679 + delta_h -10.009 #kJ/mol #05wal/pel + -analytic -1.1321823E3 -1.8235764E-1 6.1304821E4 4.1103628E2 -3.5403537E6 + Rhyolite # a mixture of minerals, defined for elemental release... Na0.078K0.046Al0.26Si1.23O2.912 + 3.048 H2O = 0.136 H+ + 0.078 Na+ + 0.046 K+ + 0.26 Al(OH)4- + 1.23 H4SiO4 Riebeckite -Na2(Fe3Fe2)Si8O22(OH)2 + 14H+ + 8H2O = 3Fe+2 + 2Na+ + 8H4SiO4 + 2Fe+3 - log_k 9.199 - delta_h -197.377 #kJ/mol #98hol/pow - -analytic -5.0079102E+3 -6.7170777E-1 3.0608951E+5 1.7785742E+3 -1.8686839E+7 +Na2(Fe3Fe2)Si8O22(OH)2 + 14 H+ + 8 H2O = 3 Fe+2 + 2 Na+ + 8 H4SiO4 + 2 Fe+3 + log_k 9.199 + delta_h -197.377 #kJ/mol #98hol/pow + -analytic -5.0079102E3 -6.7170777E-1 3.0608951E5 1.7785742E3 -1.8686839E7 + Saponite(Ca) -Ca0.17Mg3Al0.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.340Al+3 + 0.170Ca+2 + 3Mg+2 + 3.660H4SiO4 - log_k 29.355 - delta_h -262.766 #kJ/mol #15bla/vie - -analytic -2.5667428E+3 -3.4039957E-1 1.6475488E+5 9.099285E+2 -9.472597E+6 +Ca0.17Mg3Al0.34Si3.66O10(OH)2 + 7.36 H+ + 2.64 H2O = 0.34 Al+3 + 0.17 Ca+2 + 3 Mg+2 + 3.66 H4SiO4 + log_k 29.355 + delta_h -262.766 #kJ/mol #15bla/vie + -analytic -2.5667428E3 -3.4039957E-1 1.6475488E5 9.099285E2 -9.472597E6 + Saponite(FeCa) -Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.340Al+3 + 0.170Ca+2 + 1Fe+2 + 2Mg+2 + 3.660H4SiO4 - log_k 26.569 - delta_h -250.636 #kJ/mol #15bla/vie - -analytic -2.5356344E+3 -3.373844E-1 1.6236385E+5 8.9871835E+2 -9.386812E+6 +Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 + 7.36 H+ + 2.64 H2O = 0.34 Al+3 + 0.17 Ca+2 + Fe+2 + 2 Mg+2 + 3.66 H4SiO4 + log_k 26.569 + delta_h -250.636 #kJ/mol #15bla/vie + -analytic -2.5356344E3 -3.373844E-1 1.6236385E5 8.9871835E2 -9.386812E6 + Saponite(FeK) -K0.34Mg2FeAl0.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.340Al+3 + 1Fe+2 + 0.340K+ + 2Mg+2 + 3.660H4SiO4 - log_k 25.398 - delta_h -232.093 #kJ/mol #15bla/vie - -analytic -2.515955E+3 -3.3384661E-1 1.6058454E+5 8.9209651E+2 -9.3470003E+6 +K0.34Mg2FeAl0.34Si3.66O10(OH)2 + 7.36 H+ + 2.64 H2O = 0.34 Al+3 + Fe+2 + 0.34 K+ + 2 Mg+2 + 3.66 H4SiO4 + log_k 25.398 + delta_h -232.093 #kJ/mol #15bla/vie + -analytic -2.515955E3 -3.3384661E-1 1.6058454E5 8.9209651E2 -9.3470003E6 + Saponite(FeMg) -Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.340Al+3 + 1Fe+2 + 2.170Mg+2 + 3.660H4SiO4 - log_k 26.022 - delta_h -251.806 #kJ/mol #15bla/vie - -analytic -2.5507675E+3 -3.3914471E-1 1.6323608E+5 9.0384868E+2 -9.4321235E+6 +Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 + 7.36 H+ + 2.64 H2O = 0.34 Al+3 + Fe+2 + 2.17 Mg+2 + 3.66 H4SiO4 + log_k 26.022 + delta_h -251.806 #kJ/mol #15bla/vie + -analytic -2.5507675E3 -3.3914471E-1 1.6323608E5 9.0384868E2 -9.4321235E6 + Saponite(FeNa) -Na0.34Mg2FeAl0.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.340Al+3 + 1Fe+2 + 2Mg+2 + 0.340Na+ + 3.660H4SiO4 - log_k 25.896 - delta_h -240.711 #kJ/mol #15bla/vie - -analytic -2.5368817E+3 -3.3606965E-1 1.6211086E+5 8.9919435E+2 -9.3999007E+6 +Na0.34Mg2FeAl0.34Si3.66O10(OH)2 + 7.36 H+ + 2.64 H2O = 0.34 Al+3 + Fe+2 + 2 Mg+2 + 0.34 Na+ + 3.66 H4SiO4 + log_k 25.896 + delta_h -240.711 #kJ/mol #15bla/vie + -analytic -2.5368817E3 -3.3606965E-1 1.6211086E5 8.9919435E2 -9.3999007E6 + Saponite(K) -K0.33Mg3Al0.33Si3.67O10(OH)2 + 7.320H+ + 2.680H2O = 0.330Al+3 + 0.330K+ + 3Mg+2 + 3.670H4SiO4 - log_k 27.430 - delta_h -239.483 #kJ/mol #15bla/vie - -analytic -2.544416E+3 -3.3629993E-1 1.6263915E+5 9.0231366E+2 -9.4312976E+6 +K0.33Mg3Al0.33Si3.67O10(OH)2 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 0.33 K+ + 3 Mg+2 + 3.67 H4SiO4 + log_k 27.43 + delta_h -239.483 #kJ/mol #15bla/vie + -analytic -2.544416E3 -3.3629993E-1 1.6263915E5 9.0231366E2 -9.4312976E6 + Saponite(Mg) -Mg0.17Mg3Al0.34Si3.66O10(OH)2 + 7.360H+ + 2.640H2O = 0.340Al+3 + 3.170Mg+2 + 3.660H4SiO4 - log_k 28.810 - delta_h -263.946 #kJ/mol #15bla/vie - -analytic -2.5818719E+3 -3.4215988E-1 1.6562747E+5 9.1505763E+2 -9.5179085E+6 +Mg0.17Mg3Al0.34Si3.66O10(OH)2 + 7.36 H+ + 2.64 H2O = 0.34 Al+3 + 3.17 Mg+2 + 3.66 H4SiO4 + log_k 28.81 + delta_h -263.946 #kJ/mol #15bla/vie + -analytic -2.5818719E3 -3.4215988E-1 1.6562747E5 9.1505763E2 -9.5179085E6 + Saponite(Na) -Na0.33Mg3Al0.33Si3.67O10(OH)2 + 7.320H+ + 2.680H2O = 0.330Al+3 + 3Mg+2 + 0.330Na+ + 3.670H4SiO4 - log_k 27.971 - delta_h -248.219 #kJ/mol #15bla/vie - -analytic -2.5647603E+3 -3.3846001E-1 1.6414122E+5 9.0921188E+2 -9.482682E+6 +Na0.33Mg3Al0.33Si3.67O10(OH)2 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 3 Mg+2 + 0.33 Na+ + 3.67 H4SiO4 + log_k 27.971 + delta_h -248.219 #kJ/mol #15bla/vie + -analytic -2.5647603E3 -3.3846001E-1 1.6414122E5 9.0921188E2 -9.482682E6 + Saponite(SapCa) -(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.055)O10(OH)2 + 7.724H+ + 2.276H2O = 0.397Al+3 + 0.038Ca+2 + 0.034Fe+3 + 0.021K+ + 2.949Mg+2 + 0.394Na+ + 3.569H4SiO4 + 0.021Fe+2 - log_k 31.473 - delta_h -277.172 #kJ/mol #13gai/bla - -analytic -2.5790231E+3 -3.508959E-1 1.6429225E+5 9.168404E+2 -9.2969386E+6 +(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.055)O10(OH)2 + 7.724 H+ + 2.276 H2O = 0.397 Al+3 + 0.038 Ca+2 + 0.034 Fe+3 + 0.021 K+ + 2.949 Mg+2 + 0.394 Na+ + 3.569 H4SiO4 + 0.021 Fe+2 + log_k 31.473 + delta_h -277.172 #kJ/mol #13gai/bla + -analytic -2.5790231E3 -3.508959E-1 1.6429225E5 9.168404E2 -9.2969386E6 + Scolecite -CaAl2Si3O10:3H2O + 8H+ = 2Al+3 + 1Ca+2 + 3H4SiO4 + 1H2O - log_k 16.647 - delta_h -233.213 #kJ/mol #83joh/flo - -analytic -2.3692738E+3 -3.4026162E-1 1.4623007E+5 8.4431312E+2 -8.2035956E+6 +CaAl2Si3O10:3H2O + 8 H+ = 2 Al+3 + Ca+2 + 3 H4SiO4 + H2O + log_k 16.647 + delta_h -233.213 #kJ/mol #83joh/flo + -analytic -2.3692738E3 -3.4026162E-1 1.4623007E5 8.4431312E2 -8.2035956E6 + Smectite # (MX80) -Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.208)O10(OH)2 + 7.048H+ + 2.952H2O = 1.860Al+3 + 0.009Ca+2 + 0.173Fe+3 + 0.024K+ + 0.214Mg+2 + 0.409Na+ + 3.738H4SiO4 + 0.035Fe+2 - log_k 5.278 - delta_h -175.308 #kJ/mol #12gai/bla - -analytic -2.4267042E+3 -3.3712249E-1 1.5038583E+5 8.6021197E+2 -8.9284687E+6 +Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.208)O10(OH)2 + 7.048 H+ + 2.952 H2O = 1.86 Al+3 + 0.009 Ca+2 + 0.173 Fe+3 + 0.024 K+ + 0.214 Mg+2 + 0.409 Na+ + 3.738 H4SiO4 + 0.035 Fe+2 + log_k 5.278 + delta_h -175.308 #kJ/mol #12gai/bla + -analytic -2.4267042E3 -3.3712249E-1 1.5038583E5 8.6021197E2 -8.9284687E6 + Smectite(MX80:3.989H2O) -Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.208)O10(OH)2:3.989H2O + 7.048H+ = 1.860Al+3 + 0.009Ca+2 + 0.173Fe+3 + 0.024K+ + 0.214Mg+2 + 0.409Na+ + 3.738H4SiO4 + 0.035Fe+2 + 1.037H2O - log_k 1.774 - delta_h -148.524 #kJ/mol #12gai/bla - -analytic -2.3838609E+3 -3.2232449E-1 1.4844358E+5 8.4261556E+2 -8.9910004E+6 +Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.208)O10(OH)2:3.989H2O + 7.048 H+ = 1.86 Al+3 + 0.009 Ca+2 + 0.173 Fe+3 + 0.024 K+ + 0.214 Mg+2 + 0.409 Na+ + 3.738 H4SiO4 + 0.035 Fe+2 + 1.037 H2O + log_k 1.774 + delta_h -148.524 #kJ/mol #12gai/bla + -analytic -2.3838609E3 -3.2232449E-1 1.4844358E5 8.4261556E2 -8.9910004E6 + Smectite(MX80:5.189H2O) -Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.208)O10(OH)2:5.189H2O + 7.048H+ = 1.860Al+3 + 0.009Ca+2 + 0.173Fe+3 + 0.024K+ + 0.214Mg+2 + 0.409Na+ + 3.738H4SiO4 + 0.035Fe+2 + 2.237H2O - log_k 1.435 - delta_h -140.430 #kJ/mol #12gai/bla - -analytic -2.3706061E+3 -3.2008903E-1 1.4737914E+5 8.3812012E+2 -8.9524821E+6 +Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.208)O10(OH)2:5.189H2O + 7.048 H+ = 1.86 Al+3 + 0.009 Ca+2 + 0.173 Fe+3 + 0.024 K+ + 0.214 Mg+2 + 0.409 Na+ + 3.738 H4SiO4 + 0.035 Fe+2 + 2.237 H2O + log_k 1.435 + delta_h -140.43 #kJ/mol #12gai/bla + -analytic -2.3706061E3 -3.2008903E-1 1.4737914E5 8.3812012E2 -8.9524821E6 + Spodumene # from core10.dat - LiAlSi2O6 + 4 H+ + 2 H2O = Al+3 + Li+ + 2 H4SiO4 - log_k 6.9972 - -delta_H -89.1817 - -analytic -9.8111 2.1191e-3 9.6920e3 -3.0484 -7.8822e5 - -Vm 58.37 +LiAlSi2O6 + 4 H+ + 2 H2O = Al+3 + Li+ + 2 H4SiO4 + log_k 6.9972 + delta_h -89.1817 + -analytic -9.8111 2.1191e-3 9.692e3 -3.0484 -7.8822e5 + -Vm 58.37 + Staurolite -Fe2Al9Si4O23(OH) + 31H+ = 9Al+3 + 2Fe+2 + 4H4SiO4 + 8H2O - log_k 216.340 - delta_h -1956.484 #kJ/mol #87woo/gar - -analytic -6.5297334E+3 -1.0061427E+0 4.5225123E+5 2.3281295E+3 -2.0588442E+7 +Fe2Al9Si4O23(OH) + 31 H+ = 9 Al+3 + 2 Fe+2 + 4 H4SiO4 + 8 H2O + log_k 216.34 + delta_h -1956.484 #kJ/mol #87woo/gar + -analytic -6.5297334E3 -1.0061427 4.5225123E5 2.3281295E3 -2.0588442E7 + Stilbite -NaCa2(Al5Si13)O36:16H2O + 20H+ = 5Al+3 + 2Ca+2 + 1Na+ + 13H4SiO4 - log_k 23.044 - delta_h -403.823 #kJ/mol #01fri/neu - -analytic -7.4700792E+3 -1.0099722E+0 4.6170528E+5 2.6510812E+3 -2.7934606E+7 +NaCa2(Al5Si13)O36:16H2O + 20 H+ = 5 Al+3 + 2 Ca+2 + Na+ + 13 H4SiO4 + log_k 23.044 + delta_h -403.823 #kJ/mol #01fri/neu + -analytic -7.4700792E3 -1.0099722 4.6170528E5 2.6510812E3 -2.7934606E7 + Thomsonite # defined for elemental release -Na0.5CaAl2.5Si2.5O10:3H2O + 10H+ = 2.5 Al+3 + 0.5 Na+ + Ca+2 + 2.5 H4SiO4 + 3 H2O +Na0.5CaAl2.5Si2.5O10:3H2O + 10 H+ = 2.5 Al+3 + 0.5 Na+ + Ca+2 + 2.5 H4SiO4 + 3 H2O Tourmaline # defined for elemental release NaFe1.5Mg1.5Al6B3Si6O27(OH)4 + 26 H2O + H+ = Na+ + 1.5 Fe+2 + 1.5 Mg+2 + 6 Al(OH)4- + 3 H3BO3 + 6 H4SiO4 Tremolite -(Ca2Mg5)Si8O22(OH)2 + 14H+ + 8H2O = 2Ca+2 + 5Mg+2 + 8H4SiO4 - log_k 67.281 - delta_h -502.247 #kJ/mol #95rob/hem - -analytic -5.0977019E+3 -6.8545317E-1 3.2680746E+5 1.8129659E+3 -1.8919407E+7 +(Ca2Mg5)Si8O22(OH)2 + 14 H+ + 8 H2O = 2 Ca+2 + 5 Mg+2 + 8 H4SiO4 + log_k 67.281 + delta_h -502.247 #kJ/mol #95rob/hem + -analytic -5.0977019E3 -6.8545317E-1 3.2680746E5 1.8129659E3 -1.8919407E7 + # Uraninite # UO2 + 4 H+ = U+4 + 2 H2O # log_k -3.490 # delta_h -18.630 kcal + Wollastonite -CaSiO3 + 2H+ + 1H2O = 1Ca+2 + 1H4SiO4 - log_k 14.047 - delta_h -85.986 #kJ/mol #78hel/del,92ajoh - -analytic -6.3184784E+2 -8.6944016E-2 4.1722732E+4 2.2563038E+2 -2.3494013E+6 -Zoisite -Ca2Al3Si3O12(OH) + 13H+ = 3Al+3 + 2Ca+2 + 3H4SiO4 + 1H2O - log_k 43.848 - delta_h -485.113 #kJ/mol #01sme/fra - -analytic -3.1722373E+3 -4.6912132E-1 2.0150433E+5 1.1315082E+3 -1.0643978E+7 +CaSiO3 + 2 H+ + H2O = Ca+2 + H4SiO4 + log_k 14.047 + delta_h -85.986 #kJ/mol #78hel/del,92ajoh + -analytic -6.3184784E2 -8.6944016E-2 4.1722732E4 2.2563038E2 -2.3494013E6 +Zoisite +Ca2Al3Si3O12(OH) + 13 H+ = 3 Al+3 + 2 Ca+2 + 3 H4SiO4 + H2O + log_k 43.848 + delta_h -485.113 #kJ/mol #01sme/fra + -analytic -3.1722373E3 -4.6912132E-1 2.0150433E5 1.1315082E3 -1.0643978E7 RATE_PARAMETERS_PK # Acid Neutral Base @@ -2673,10 +2764,10 @@ Montmorillonite -end END -# Example input files for KINETICS calculations -# -# compare Albite kinetics using rates from the compilations -# ========================================================= +# # Example input files for KINETICS calculations +# # +# # compare Albite kinetics using rates from the compilations +# # ========================================================= # KINETICS 1 # Albite_PK @@ -2743,8 +2834,8 @@ END # 50 i = step_no : plot_xy ph(i), lk(i), line_width = 0, color = Black, y_axis = 2, symbol_size = 10, symbol = Circle # END -# compare rates for calcite dissolution -# ===================================== +# # compare rates for calcite dissolution +# # ===================================== # USER_GRAPH 1; -active false @@ -2786,8 +2877,8 @@ END # USER_GRAPH 2; -headings h Plummer.Wigley.Parkhurst # END -# compare rates for quartz dissolution -# ===================================== +# # compare rates for quartz dissolution +# # ===================================== # USER_GRAPH 2; -active false # SOLUTION 1 @@ -2854,8 +2945,8 @@ END # -headings H Rimstidt.et.al._NaCl # END -# Example input file for calculating montmorillonite dissolution -# ============================================================== +# # Example input file for calculating montmorillonite dissolution +# # ============================================================== # USER_GRAPH 3; -active false @@ -2961,7 +3052,7 @@ END # -cvode true # INCREMENTAL_REACTIONS true # USER_GRAPH 4 - # -headings time Na K Mg Ca + # -headings time Na K Mg Ca mm_diss # -axis_titles "Time / days" "Molality" "Montmorillonite dissolved / (mmol/kgw)" # -axis_scale x_axis auto auto auto auto log # -axis_scale y_axis auto auto auto auto log diff --git a/mytest/CMakeLists.txt b/mytest/CMakeLists.txt index 8fce75072..851ae6959 100644 --- a/mytest/CMakeLists.txt +++ b/mytest/CMakeLists.txt @@ -337,6 +337,7 @@ set(TESTS R-04_01_PHRC rahn rate_parameters + rate_xmpls Ratework raw reaction_p diff --git a/mytest/kinetic_rates_pH.inc b/mytest/kinetic_rates_pH.inc new file mode 100644 index 000000000..2be03d3cb --- /dev/null +++ b/mytest/kinetic_rates_pH.inc @@ -0,0 +1,176 @@ + + +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -0 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -5.0000e-01 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -1 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -1.5000e+00 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -2 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -2.5000e+00 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -3 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -3.5000e+00 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -4 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -4.5000e+00 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -5 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -5.5000e+00 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -6 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -6.5000e+00 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -7 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -7.5000e+00 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -8 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -8.5000e+00 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -9 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -9.5000e+00 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -10 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -1.0500e+01 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -11 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -1.1500e+01 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -12 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -1.2500e+01 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -13 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -1.3500e+01 LiOH 10 +USE kinetics 1 +END +USE solution 1 +EQUILIBRIUM_PHASES 1 + LiBr + Fix_pH -14 LiOH 10 +USE kinetics 1 +END diff --git a/mytest/rate_xmpls b/mytest/rate_xmpls new file mode 100644 index 000000000..651943635 --- /dev/null +++ b/mytest/rate_xmpls @@ -0,0 +1,311 @@ +DATABASE ../database/phreeqc_rates.dat +SELECTED_OUTPUT 101 + -file rate_xmpls_101.sel +USER_PUNCH 101 + -headings Mu SC + -start +10 PUNCH STR_F$(MU, 20, 12) +20 PUNCH STR_F$(SC, 20, 10) + -end +KINETICS 1 +Albite_PK +-formula NaAlSi3O8; -parms 0 1 1 0.67 +-m0 1; -time 1 # default +END + +SOLUTION 1 +PHASES + Fix_pH; H+ = H+ + LiBr; LiBr = Li+ + Br-; -log_k -20 # (very) unsoluble phase with base cation and acid anion, permits to use HBr or LiOH as reactant +SELECTED_OUTPUT 1 + -file kinetic_rates_pH.inc + -reset false +USER_PUNCH 1 # write out the pH's to equilibrate... + 10 FOR i = 0 to 14 STEP 0.5 + 20 punch EOL$ + 'USE solution 1' + 30 punch EOL$ + 'EQUILIBRIUM_PHASES 1' + 40 punch EOL$ + ' LiBr' + 50 punch EOL$ + ' Fix_pH ' + TRIM(STR$(-i)) + ' LiOH 10' # ...or HBr as reactant + 60 punch EOL$ + 'USE kinetics 1' + 70 punch EOL$ + 'END' + 80 NEXT i +END + +PRINT; -reset false +SELECTED_OUTPUT 1; -active false +USER_GRAPH 1; -headings pH Palandri +-axis_titles pH "log10(initial rate / (mol / m2 / s))" +-axis_scale x_axis 0 14 +10 graph_x -la("H+") +20 graph_sy log10(tot("Al")) +INCLUDE$ kinetic_rates_pH.inc +END + +KINETICS 1 +Albite_Svd +-formula NaAlSi3O8; -parms 0 1 20 0.67 # roughness = 20 +USER_GRAPH 1; -headings pH Sverdup*20 +INCLUDE$ kinetic_rates_pH.inc +END + +KINETICS 1 +Albite +-formula NaAlSi3O8; -parms 1 20 # roughness = 20 +USER_GRAPH 1; -headings pH Sverdup`95*20 +INCLUDE$ kinetic_rates_pH.inc +END + +KINETICS 1 +Albite_Hermanska +-formula NaAlSi3O8; -parms 0 1 1 0.67 +USER_GRAPH 1; -headings pH Hermanska +INCLUDE$ kinetic_rates_pH.inc +END + +USE solution 1 +REACTION_TEMPERATURE 1; 25 25 in 21 +USER_GRAPH 1; -headings Albite_data +10 data 1.1, 2.05, 2.45, 2.9, 3, 3.5, 4.1, 5.1, 5.35, 5.47, 5.63, 5.63, 5.73, 7.73, 9.95, 9.95, 9.95, 10.6, 11.2, 11.55, 12.3 +20 data -10.25, -10.55, -10.82, -11.25, -11.1, -11.4, -11.47, -11.82, -11.75, -11.65, -11.83, -11.92, -11.92, -11.83, -10.97, -11.05, -11.13, -10.95, -10.55, -10.6, -10.38 # Chou, L., Wollast, R., 1985. Steady-state kinetics and dissolution mechanisms of albite. Am. J. Sci. 285, 963–993. +30 restore 10 : dim ph(21) : for i = 1 to step_no : read ph(i) : next i +40 restore 20 : dim lk(21) : for i = 1 to step_no : read lk(i) : next i +50 i = step_no : plot_xy ph(i), lk(i), line_width = 0, color = Black, y_axis = 2, symbol_size = 10, symbol = Circle +END + +# compare rates for calcite dissolution +# ===================================== + +USER_GRAPH 1; -active false + +SOLUTION 1 +pH 7 charge; C(4) 1 CO2(g) -2.5 +KINETICS 1 +calcite_PK +-formula CaCO3; -parms 0 1e-2 1 0.67 +-time 0.1 10*1 hour +INCREMENTAL_REACTIONS true +USER_GRAPH 2; -headings h Palandri_SI(CO2_g).=.-2.5 +-axis_titles "time / hours" "Calcite dissolved / (mmol/kgw)" +10 graph_x total_time / 3600 : graph_sy tot("Ca") * 1e3 +END + +USE solution 1 +KINETICS 1 +Calcite +-parms 1e2 0.67 # cm^2/mol calcite, exp factor +-time 0.1 10*1 hour +USER_GRAPH 2; -headings h Plummer.Wigley.Parkhurst +END + +SOLUTION 1 +pH 7 charge; C(4) 1 CO2(g) -1.5 +KINETICS 1 +calcite_PK +-formula CaCO3 +-parms 0 1e-2 1 0.67 +-time 0.1 10*1 hour +USER_GRAPH 2; -headings h Palandri_SI(CO2_g).=.-1.5 +END + +USE solution 1 +KINETICS 1 +Calcite +-parms 1e2 0.67 +-time 0.1 10*1 hour +USER_GRAPH 2; -headings h Plummer.Wigley.Parkhurst +END + +# compare rates for quartz dissolution +# ===================================== + +USER_GRAPH 2; -active false +SOLUTION 1 +pH 7 charge +KINETICS 1 +Quartz_PK +-formula SiO2 +-parms 0 6 1 0.67 +-time 0.1 10*1 year +INCREMENTAL_REACTIONS true +USER_GRAPH 3; -headings h Palandri +-axis_titles "time / years" "Quartz dissolved / (mmol/kgw)" +10 graph_x total_time / 3.15e7 : graph_sy tot("Si") * 1e3 +END + +USE solution 1 +KINETICS 1 +Quartz_Hermanska +-formula SiO2 +-parms 0 6 1 0.67 +-time 0.1 10*1 year +USER_GRAPH 3 +-headings H Hermanska +END + +USE solution 1 +KINETICS 1 +Quartz_Svd +-formula SiO2 +-parms 0 6 1 0.67 +-time 0.1 10*1 year +USER_GRAPH 3 +-headings H Sverdup +END + +USE solution 1 +KINETICS 1 +Quartz_Rimstidt_Barnes +-formula SiO2 +-parms 0 6 1 0.67 +-time 0.1 10*1 year +USER_GRAPH 3 +-headings H Rimstidt.et.al +END + +SOLUTION 1 +pH 7 charge; Na 30; Cl 30 +KINETICS 1 +Quartz_Svd +-formula SiO2 +-parms 0 6 1 0.67 +-time 0.1 10*1 year +USER_GRAPH 3 +-headings H Sverdup_NaCl +END + +USE solution 1 +KINETICS 1 +Quartz_Rimstidt_Barnes +-formula SiO2 +-parms 0 6 1 0.67 +-time 0.1 10*1 year +USER_GRAPH 3 +-headings H Rimstidt.et.al._NaCl +END + +# Example input file for calculating montmorillonite dissolution +# ============================================================== + +USER_GRAPH 3; -active false + +EXCHANGE_MASTER_SPECIES +X_montm_mg X_montm_mg-0.34 +EXCHANGE_SPECIES +# The Gapon formulation is easiest... + X_montm_mg-0.34 = X_montm_mg-0.34 +0.34 Na+ + X_montm_mg-0.34 = Na0.34X_montm_mg; log_k -3.411 # 0 # +0.34 K+ + X_montm_mg-0.34 = K0.34X_montm_mg; log_k -2.830 # 0.581 # +0.17 Mg+2 + X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -3.708 # -0.297 # +0.17 Ca+2 + X_montm_mg-0.34 = Ca0.17X_montm_mg; log_k -4.222 # -0.811 # + +# # The divalent cations have rather low log_k, cf. A&P, p.254, log_k Ca0.5X ~ log_k KX +# # uncomment the following lines to see the effect... +# 0.17 Mg+2 + X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -2.73 +# 0.17 Ca+2 + X_montm_mg-0.34 = Ca0.17X_montm_mg; log_k -2.83 +# # also adapt the log_k`s of the solids... +# PHASES +# Montmorillonite(MgMg) +# Mg0.17Mg0.34Al1.66Si4O10(OH)2 + 6H+ + 4H2O = 1.660Al+3 + 0.510Mg+2 + 4H4SiO4 + # log_k 2.73 +# Montmorillonite(MgCa) +# Ca0.17Mg0.34Al1.66Si4O10(OH)2 + 6H+ + 4H2O = 1.660Al+3 + 0.170Ca+2 + 0.340Mg+2 + 4H4SiO4 + # log_k 2.83 + +# # The divalent cations can be defined with the Gaines-Thomas convention... +# EXCHANGE_SPECIES +# # undefine the previous set... +# 0.17 Mg+2 + X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -3.708e10 +# 0.17 Ca+2 + X_montm_mg-0.34 = Ca0.17X_montm_mg; log_k -4.222e10 +# # write the Gaines-Thomas formulas... +# 0.34 Mg+2 + 2 X_montm_mg-0.34 = Mg0.34X_montm_mg2 ; log_k -7.416 # -0.297 # +# 0.34 Ca+2 + 2 X_montm_mg-0.34 = Ca0.34X_montm_mg2 ; log_k -8.444 # -0.811 # + +# # The default exchanger X can be used, uncomment the follwing lines +# # redefine f_Na in the rate... +# RATES +# Montmorillonite +# 5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent +# 7 f_Na = (mol("NaX") / tot("X")) # when running with the default X exchange +# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Montmorillonite(MgNa)") / f_Na +# 20 rate = RATE_HERMANSKA("Montmorillonite") / f_Na +# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 +# 40 SAVE area * rate * affinity * TIME +# -end +# # adapt log_k`s of the solids with default exchanger X: +# PHASES +# Montmorillonite(MgK) +# K0.34Mg0.34Al1.66Si4O10(OH)2 + 6H+ + 4H2O = 1.660Al+3 + 0.340K+ + 0.340Mg+2 + 4H4SiO4 + # log_k 2.6 # 3.41 - 0.7 * 0.34 = 3.17 expected, but is fraction-dependent, A&P, problems p. 305 +# Montmorillonite(MgMg) +# Mg0.34(Mg0.34Al1.66Si4O10(OH)2)2 + 12 H+ + 8 H2O = 3.32 Al+3 + 1.02 Mg+2 + 8 H4SiO4 + # log_k 6.27 # 3.41 * 2 - 0.6 * 0.34 = 6.62 +# Montmorillonite(MgCa) +# Ca0.34(Mg0.34Al1.66Si4O10(OH)2)2 + 12 H+ + 8 H2O = 3.32 Al+3 + 0.68 Mg+2 + 8 H4SiO4 + 0.34 Ca+2 + # log_k 6.2 # 3.41 * 2 - 0.8 * 0.34 = 6.55 +# # in EXCHANGE 1, comment X_montm_mg, uncomment X... +END + +SOLUTION 1 +pH 7 charge; +Na 1e-5 +K 1e-5 +Mg 1e-5 +Ca 1e-5 +END + +# Give the solution composition for calculating the ininitial exchanger +SOLUTION 99 +pH 7 charge +EQUILIBRIUM_PHASES 1 +# solid solution of the end-members, SI = log10(fraction = 0.25) +Montmorillonite(MgNa) -0.602 1e-2 +Montmorillonite(MgCa) -0.602 1e-2 +Montmorillonite(MgK) -0.602 1e-2 +Montmorillonite(MgMg) -0.602 1e-2 +Kaolinite 0 0 +SAVE solution 99 +END + +# # with Gapon only, initial exchanger can be defined explicitly +EXCHANGE 1 +Na0.34X_montm_mg 1e-2 +Ca0.17X_montm_mg 1e-2 +K0.34X_montm_mg 1e-2 +Mg0.17X_montm_mg 1e-2 +END + +USE solution 1 +EQUILIBRIUM_PHASES 1 +Kaolinite 0 0 +# USE EXCHANGE 1 # with Gapon only, uncomment in KINETICS: # X_montm_mg -1 +EXCHANGE 1 +X_montm_mg Montmorillonite kin 1; -equil 99 # comment in KINETICS: # X_montm_mg -1 +# X Montmorillonite kin 0.34; -equil 99 # default exchanger X, comment in KINETICS: # X_montm_mg -1 +KINETICS 1 +Montmorillonite +-formula Mg0.34Al1.66Si4O10(OH)2 1 # X_montm_mg -1 +-m 4e-2 +-parms 0 2.5e5 1 0.67 +-step 30 100 1e3 1e4 2e4 2e4 3e4 3e4 3e4 3e4 1e5 1e5 1e5 3e5 6e5 1e6 3e6 +-cvode true +INCREMENTAL_REACTIONS true +USER_GRAPH 4 + -headings time Na K Mg Ca mm_diss + -axis_titles "Time / days" "Molality" "Montmorillonite dissolved / (mmol/kgw)" + -axis_scale x_axis auto auto auto auto log + -axis_scale y_axis auto auto auto auto log +1 t = TOTAL_TIME / (3600 * 24) : put(t, 1) +10 GRAPH_X t +12 mg = tot("Mg") : if mg < 1e-24 then mg = 1e-24 +14 ca = tot("Ca") : if ca < 1e-24 then ca = 1e-24 +20 GRAPH_Y TOT("Na"), TOT("K"), mg, ca +30 GRAPH_SY (4e-2 - kin("Montmorillonite")) * 1e3 +END +USE solution 99; REACTION +USER_GRAPH 4; -connect_simulations false; -headings Solution_99 +1 t = get(1) +10 plot_xy t, tot("Na"), symbol = Circle , symbol_size = 15, color = Red +20 plot_xy t, tot("K"), symbol = Circle , symbol_size = 15, color = Green +30 plot_xy t, tot("Mg"), symbol = Circle , symbol_size = 15, color = Blue +40 plot_xy t, tot("Ca"), symbol = Circle , symbol_size = 15, color = Orange + diff --git a/mytest/rate_xmpls.out b/mytest/rate_xmpls.out new file mode 100644 index 000000000..718f70230 --- /dev/null +++ b/mytest/rate_xmpls.out @@ -0,0 +1,157 @@ + Input file: rate_xmpls + Output file: rate_xmpls.out +Database file: ../database/phreeqc_rates.dat + +------------------ +Reading data base. +------------------ + + SOLUTION_MASTER_SPECIES + SOLUTION_SPECIES + PHASES + EXCHANGE_MASTER_SPECIES + EXCHANGE_SPECIES + SURFACE_MASTER_SPECIES + SURFACE_SPECIES + MEAN_GAMMAS + RATES + PHASES # defined for formulas and affinities of kinetic (mostly) dissolving minerals + RATE_PARAMETERS_PK + RATE_PARAMETERS_SVD + RATE_PARAMETERS_HERMANSKA + RATES + END +------------------------------------ +Reading input data for simulation 1. +------------------------------------ + + DATABASE ../database/phreeqc_rates.dat + SELECTED_OUTPUT 101 + file rate_xmpls_101.sel + USER_PUNCH 101 + headings Mu SC + start + 10 PUNCH STR_F$(MU, 20, 12) + 20 PUNCH STR_F$(SC, 20, 10) + end + KINETICS 1 + Albite_PK + formula NaAlSi3O8 + parms 0 1 1 0.67 + m0 1 + time_steps 1 # default + END +------------------ +End of simulation. +------------------ + +------------------------------------ +Reading input data for simulation 2. +------------------------------------ + + SOLUTION 1 + PHASES + Fix_pH + H+ = H+ + LiBr + LiBr = Li+ + Br- + log_k -20 # (very) unsoluble phase with base cation and acid anion, permits to use HBr or LiOH as reactant + SELECTED_OUTPUT 1 + file kinetic_rates_pH.inc + reset false + USER_PUNCH 1 # write out the pH's to equilibrate... + 10 FOR i = 0 to 14 STEP 0.5 + 20 punch EOL$ + 'USE solution 1' + 30 punch EOL$ + 'EQUILIBRIUM_PHASES 1' + 40 punch EOL$ + ' LiBr' + 50 punch EOL$ + ' Fix_pH ' + TRIM(STR$(-i)) + ' LiOH 10' # ...or HBr as reactant + 60 punch EOL$ + 'USE kinetics 1' + 70 punch EOL$ + 'END' + 80 NEXT i + END +------------------------------------------- +Beginning of initial solution calculations. +------------------------------------------- + +Initial solution 1. + +WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH. + +-----------------------------Solution composition------------------------------ + + Elements Molality Moles + + Pure water + +----------------------------Description of solution---------------------------- + + pH = 7.000 + pe = 4.000 + Specific Conductance (µS/cm, 25°C) = 0 + Density (g/cm³) = 0.99704 + Volume (L) = 1.00297 + Viscosity (mPa s) = 0.89002 + Activity of water = 1.000 + Ionic strength (mol/kgw) = 1.007e-07 + Mass of water (kg) = 1.000e+00 + Total alkalinity (eq/kg) = 1.217e-09 + Temperature (°C) = 25.00 + Electrical balance (eq) = -1.217e-09 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 + Iterations = 0 + Total H = 1.110124e+02 + Total O = 5.550622e+01 + +----------------------------Distribution of species---------------------------- + + Log Log Log mole V + Species Molality Activity Molality Activity Gamma cm³/mol + + OH- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 + H+ 1.001e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 + H2O 5.551e+01 1.000e+00 1.744 0.000 0.000 18.07 +H(0) 1.416e-25 + H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 + +------------------------------Saturation indices------------------------------- + + Phase SI** log IAP log K(298 K, 1 atm) + + Fix_pH -7.00 -7.00 0.00 H+ + H2(g) -22.05 -25.15 -3.10 H2 + H2O(g) -1.50 0.00 1.50 H2O + O2(g) -39.19 -42.08 -2.89 O2 + +**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. + For ideal gases, phi = 1. + +------------------ +End of simulation. +------------------ + +------------------------------------ +Reading input data for simulation 3. +------------------------------------ + + PRINT + reset false + + Reading data from kinetic_rates_pH.inc ... + + Reading data from kinetic_rates_pH.inc ... + + Reading data from kinetic_rates_pH.inc ... + + Reading data from kinetic_rates_pH.inc ... +WARNING: Element Al is contained in Kaolinite (which has 0.0 mass), +but is not in solution or other phases. +WARNING: Element Si is contained in Kaolinite (which has 0.0 mass), +but is not in solution or other phases. +WARNING: Element in phase, Kaolinite, is not in model. +WARNING: Element in phase, Kaolinite, is not in model. +WARNING: Element Al is contained in Kaolinite (which has 0.0 mass), +but is not in solution or other phases. +WARNING: Element Si is contained in Kaolinite (which has 0.0 mass), +but is not in solution or other phases. diff --git a/mytest/rate_xmpls_101.sel b/mytest/rate_xmpls_101.sel new file mode 100644 index 000000000..069b418d9 --- /dev/null +++ b/mytest/rate_xmpls_101.sel @@ -0,0 +1,275 @@ + Mu SC + 0.000000100661 0.0546997340 + 1.360612168973 467946.6937258441 + 0.410098469539 157258.3044367340 + 0.122379599362 48875.3872730299 + 0.036497908638 14865.2022953133 + 0.010985261137 4529.2244549578 + 0.003351280635 1393.7289200795 + 0.001035104293 433.1000333767 + 0.000322626396 135.5346580833 + 0.000101154267 42.6015987479 + 0.000031830159 13.4255789848 + 0.000010037547 4.2374452015 + 0.000003169474 1.3389385683 + 0.000001001783 0.4243197012 + 0.000000317046 0.1377055630 + 0.000000100747 0.0547028679 + 0.000000319678 0.0850530726 + 0.000001012748 0.2412972479 + 0.000003206845 0.7547484625 + 0.000010158796 2.3863118383 + 0.000032219309 7.5581501767 + 0.000102410981 23.9721573765 + 0.000326794816 76.2045279692 + 0.001049942328 243.1823877985 + 0.003412857909 781.0303065704 + 0.011308623011 2533.5480784265 + 0.038583758674 8327.9875435911 + 0.136622749455 27658.3300569213 + 0.497107323763 90406.0338296276 + 1.763786045372 270844.3649928398 + 1.360612170325 467946.6935717677 + 0.410098470223 157258.3043719739 + 0.122379599697 48875.3872466738 + 0.036497908793 14865.2022845313 + 0.010985261203 4529.2244505966 + 0.003351280659 1393.7289185201 + 0.001035104299 433.1000330383 + 0.000322626394 135.5346582082 + 0.000101154263 42.6015989618 + 0.000031830156 13.4255791080 + 0.000010037546 4.2374452067 + 0.000003169474 1.3389385584 + 0.000001001784 0.4243197186 + 0.000000317047 0.1377055863 + 0.000000100747 0.0547028844 + 0.000000319678 0.0850530760 + 0.000001012747 0.2412972166 + 0.000003206844 0.7547483565 + 0.000010158793 2.3863115694 + 0.000032219299 7.5581495163 + 0.000102410953 23.9721557933 + 0.000326794751 76.2045245583 + 0.001049942199 243.1823811660 + 0.003412857662 781.0302942724 + 0.011308622525 2533.5480556306 + 0.038583757595 8327.9874994524 + 0.136622746846 27658.3299718310 + 0.497107318241 90406.0337144223 + 1.763786035515 270844.3649754958 + 1.360612170985 467946.6934965207 + 0.410098470589 157258.3043372547 + 0.122379599901 48875.3872306349 + 0.036497908906 14865.2022766941 + 0.010985261265 4529.2244464711 + 0.003351280693 1393.7289162437 + 0.001035104318 433.1000317634 + 0.000322626405 135.5346575001 + 0.000101154269 42.6015985883 + 0.000031830159 13.4255789515 + 0.000010037548 4.2374451988 + 0.000003169475 1.3389386129 + 0.000001001784 0.4243197801 + 0.000000317047 0.1377056379 + 0.000000100747 0.0547029342 + 0.000000319679 0.0850531443 + 0.000001012748 0.2412973148 + 0.000003206845 0.7547485008 + 0.000010158796 2.3863117944 + 0.000032219305 7.5581499023 + 0.000102410965 23.9721564810 + 0.000326794773 76.2045256982 + 0.001049942233 243.1823829066 + 0.003412857714 781.0302968398 + 0.011308622606 2533.5480594480 + 0.038583757740 8327.9875054147 + 0.136622747131 27658.3299811332 + 0.497107318730 90406.0337247506 + 1.763786036215 270844.3649768168 + 1.360612168860 467946.6937388044 + 0.410098469481 157258.3044422624 + 0.122379599340 48875.3872747687 + 0.036497908640 14865.2022951989 + 0.010985261154 4529.2244538355 + 0.003351280662 1393.7289183136 + 0.001035104327 433.1000311804 + 0.000322626433 135.5346556459 + 0.000101154306 42.6015963554 + 0.000031830197 13.4255772645 + 0.000010037578 4.2374450705 + 0.000003169495 1.3389397023 + 0.000001001798 0.4243210134 + 0.000000317057 0.1377065412 + 0.000000100755 0.0547036485 + 0.000000319688 0.0850539411 + 0.000001012759 0.2412982570 + 0.000003206860 0.7547496682 + 0.000010158817 2.3863133773 + 0.000032219343 7.5581523292 + 0.000102411036 23.9721604421 + 0.000326794890 76.2045318401 + 0.001049942407 243.1823918288 + 0.003412857969 781.0303095243 + 0.011308622998 2533.5480778115 + 0.038583758429 8327.9875335549 + 0.136622748493 27658.3300259069 + 0.497107320996 90406.0337726421 + 1.763786039499 270844.3649824787 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000000100645 0.0546913855 + 0.000006940132 2.7156734710 + 0.000045001402 3.3356039561 + 0.000286424928 19.3411178703 + 0.000432906104 31.0420183499 + 0.000486143817 35.5095051484 + 0.000501052000 36.7395522608 + 0.000504993293 37.0633631199 + 0.000506022456 37.1478254746 + 0.000506290178 37.1697909416 + 0.000506359754 37.1754988708 + 0.000506384778 37.1775518296 + 0.000506384778 37.1775518322 + 0.000034160599 2.6948047964 + 0.000194228467 13.1707028540 + 0.000325320799 22.0069419044 + 0.000418394423 29.8016261149 + 0.000462968264 33.5798976778 + 0.000484789864 35.3973719728 + 0.000495609524 36.2914723218 + 0.000501000397 36.7353087467 + 0.000503692229 36.9565314100 + 0.000505037726 37.0670101921 + 0.000505710603 37.1222357559 + 0.000021994538 8.5986704374 + 0.000177177963 12.7000646690 + 0.001274189281 84.0755358277 + 0.001996835533 130.4480264686 + 0.002467410241 160.3757403612 + 0.002755004836 178.5970515839 + 0.002912013555 188.5446649939 + 0.002985270191 193.1961780633 + 0.003014837936 195.0777214229 + 0.003025770144 195.7742371552 + 0.003029656323 196.0219604794 + 0.003031017071 196.1087173984 + 0.000090827873 7.6050164326 + 0.000412411019 27.9519955647 + 0.000639785697 42.8426536138 + 0.000840338214 55.9351879465 + 0.001025243617 67.9589237559 + 0.001198771137 79.2014071121 + 0.001362994082 89.8057914674 + 0.001519031296 99.8515467325 + 0.001667504045 109.3846367512 + 0.001808738076 118.4310207530 + 0.001942863843 127.0034208957 + 0.000000100644 0.0547821292 + 0.000000101193 0.0548655725 + 0.000000106321 0.0556983504 + 0.000000110882 0.0565126045 + 0.000000114963 0.0572932358 + 0.000000118636 0.0580331058 + 0.000000121954 0.0587294107 + 0.000000124963 0.0593817608 + 0.000000127699 0.0599911168 + 0.000000130194 0.0605591809 + 0.000000132473 0.0610880397 + 0.000000134560 0.0615799507 + 0.000000108924 0.0561550723 + 0.000000144963 0.0641329833 + 0.000000154826 0.0666851511 + 0.000000158117 0.0675610407 + 0.000000159270 0.0678704737 + 0.000000159680 0.0679808832 + 0.000000159827 0.0680204175 + 0.000000159880 0.0680345914 + 0.000000159899 0.0680396753 + 0.000000159907 0.0680419702 + 0.000000159909 0.0680424134 + 0.000000104628 0.0554130707 + 0.000000129499 0.0603998624 + 0.000000141703 0.0633161067 + 0.000000148606 0.0650620595 + 0.000000152756 0.0661400546 + 0.000000155332 0.0668189521 + 0.000000156960 0.0672518396 + 0.000000158002 0.0675300299 + 0.000000158672 0.0677096985 + 0.000000159105 0.0678261087 + 0.000000159386 0.0679016884 + 0.000000100914 0.0548231482 + 0.000000103532 0.0552338256 + 0.000000105998 0.0556431723 + 0.000000108325 0.0560481520 + 0.000000110525 0.0564466046 + 0.000000112607 0.0568370052 + 0.000000114581 0.0572182947 + 0.000000116455 0.0575897590 + 0.000000118236 0.0579509409 + 0.000000119929 0.0583015762 + 0.000000121542 0.0586415453 + 0.030000116639 3396.0891259440 + 0.030000127222 3396.0885356208 + 0.030000198439 3396.0848634137 + 0.030000236597 3396.0828629780 + 0.030000259095 3396.0816307488 + 0.030000272924 3396.0808502624 + 0.030000281616 3396.0803502685 + 0.030000287149 3396.0800280725 + 0.030000290699 3396.0798197419 + 0.030000292988 3396.0796847568 + 0.030000294468 3396.0795971817 + 0.030000295427 3396.0795403183 + 0.030000146351 3396.0875205274 + 0.030000269442 3396.0810484772 + 0.030000291879 3396.0797502522 + 0.030000296176 3396.0794958553 + 0.030000297002 3396.0794467245 + 0.030000297164 3396.0794371026 + 0.030000297196 3396.0794352190 + 0.030000297205 3396.0794346536 + 0.030000297205 3396.0794346536 + 0.030000297205 3396.0794346536 + 0.030000297205 3396.0794346536 + 0.000000155027 0.0510773043 + 0.000000100644 0.0547821292 + 0.000134412912 11.2965252435 + 0.000134412912 11.2965252435 + 0.000000144292 0.0563872145 + 0.000000174724 0.0591557826 + 0.000000492366 0.0911384609 + 0.000003228275 0.4496355181 + 0.000010309551 1.4981620851 + 0.000018353005 2.5357654995 + 0.000031356994 3.9564208081 + 0.000044867506 5.2164659995 + 0.000058332023 6.3299938835 + 0.000071215301 7.3021355046 + 0.000104690885 9.5468496910 + 0.000121149482 10.5482467076 + 0.000127138540 10.9002954908 + 0.000129798971 11.0548063430 + 0.000129868897 11.0588524875 + 0.000129865485 11.0586550945 + 0.000129865458 11.0586535199 + 0.000134412912 11.2965252435 From 0cd495c8a88433817c831cd1005a97585ee49765 Mon Sep 17 00:00:00 2001 From: David Parkhurst Date: Thu, 16 May 2024 09:32:24 -0600 Subject: [PATCH 2/6] Tony revisions to phreeqc_rates.dat and rate_xmpls --- database/phreeqc_rates.dat | 209 +++++++++++++++++++++---------------- mytest/rate_xmpls | 123 +++++++++++++++++++++- mytest/rate_xmpls.out | 11 +- 3 files changed, 243 insertions(+), 100 deletions(-) diff --git a/database/phreeqc_rates.dat b/database/phreeqc_rates.dat index d37b379d8..6dfc1de97 100644 --- a/database/phreeqc_rates.dat +++ b/database/phreeqc_rates.dat @@ -1569,6 +1569,7 @@ SURFACE_SPECIES Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O ; log_K 4.28 Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O ; log_K -3.22 Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2H+ + H2O ; log_K -11.69 + MEAN_GAMMAS CaCl2 Ca+2 1 Cl- 2 CaSO4 Ca+2 1 SO4-2 1 @@ -1894,6 +1895,7 @@ Pyrolusite 110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME 200 SAVE moles * SOLN_VOL -end + # # Additional definition of PHASES, RATE parameters, and RATES examples # @@ -2676,98 +2678,21 @@ Sepiolite -11 5.89E-03 50.2 0.25 -13.2 8.00E-07 Spodumene -5.38 4.90E+02 46.1 0.5 -8.95 5.40E+06 89.5 0 0 0 0 Talc -11.1 4.42E-03 50.2 0.36 -12.9 1.56E-06 40.7 0 0 0 0 Wollastonite -6.97 700 56 0.4 0 0 0 -7.81 200 52 0.15 -# -# Example RATES definitions for Albite -# -RATES -Albite_PK # Palandri and Kharaka, 2004 -5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent -10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Albite") : if affinity < parm(1) then SAVE 0 : END -20 rate = RATE_PK("Albite") -30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 -40 SAVE area * rate * affinity * TIME --end - -Albite_Svd # Sverdrup, 2019 -5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent -10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Albite") : if affinity < parm(1) then SAVE 0 : END -20 rate = RATE_SVD("Albite") -30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 -40 SAVE area * rate * affinity * TIME --end - -Albite_Hermanska # -5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent -10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Albite") : if affinity < parm(1) then SAVE 0 : END -20 rate = RATE_HERMANSKA("Albite") -30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 -40 SAVE area * rate * affinity * TIME --end -# -# Example RATES definition for Calcite -# -Calcite_PK # Palandri and Kharaka, 2004 -5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent -10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("calcite") : if affinity < parm(1) then SAVE 0 : END -20 rate = RATE_PK("calcite") -30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 -40 SAVE area * rate * affinity * TIME --end -# -# Example RATES definitions for Quartz -# -Quartz_PK # Palandri and Kharaka, 2004 -5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent -10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Quartz") : if affinity < parm(1) then SAVE 0 : END -20 rate = RATE_PK("Quartz") -30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 -40 SAVE area * rate * affinity * TIME --end - -Quartz_Svd # Sverdrup, 2019 -5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent -10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Quartz") : if affinity < parm(1) then SAVE 0 : END -20 rate = RATE_SVD("Quartz") -30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 -40 SAVE area * rate * affinity * TIME --end - -Quartz_Hermanska # -5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent -10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Quartz") : if affinity < parm(1) then SAVE 0 : END -20 rate = RATE_HERMANSKA("Quartz") -30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 -40 SAVE area * rate * affinity * TIME --end - -Quartz_Rimstidt_Barnes -#1 rem Specific rate k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol, Rimstidt and Barnes, 1980, GCA 44, 1683 -5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent -10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Quartz") : if affinity < parm(1) then SAVE 0 : END -20 rate = 10^-(13.7 + 4700 * (1 / 298 - 1 / TK)) * (1 + 1500*tot("Na")) # salt correction, Dove and Rimstidt, MSA Rev. 29, 259 -30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 -40 SAVE area * rate * affinity * TIME --end -# -# Example RATES definition for Montmorillonite, a solid solution with exchangeable cations reacting fast; their ratios are related to the changing solution composition and their amounts are connected to the kinetic reacting TOT layer. -# -# The affinity is related to a solid soution member, given by the fraction of the exchangeable cation (here Na+). The exchange species are defined in the (example) input file, below. -# -Montmorillonite -5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent -7 f_Na = (mol("Na0.34X_montm_mg") / tot("X_montm_mg")) -# 7 f_Na = (mol("NaX") / tot("X")) # when running with the default X exchange -10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Montmorillonite(MgNa)") / f_Na -20 rate = RATE_HERMANSKA("Montmorillonite") / f_Na -30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 -40 SAVE area * rate * affinity * TIME --end -END - -# # Example input files for KINETICS calculations + +# # Example input files with RATES for KINETICS calculations # # # # compare Albite kinetics using rates from the compilations + # # for the PARMS, see https://www.hydrochemistry.eu/exmpls/kin_silicates.html # # ========================================================= +# +# RATES +# Albite_PK # Palandri and Kharaka, 2004 +# 5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent +# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Albite") : if affinity < parm(1) then SAVE 0 : END +# 20 rate = RATE_PK("Albite") +# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 +# 40 SAVE area * rate * affinity * TIME +# -end # KINETICS 1 # Albite_PK @@ -2803,6 +2728,15 @@ END # INCLUDE$ kinetic_rates_pH.inc # END +# RATES +# Albite_Svd # Sverdrup, 2019 +# 5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent +# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Albite") : if affinity < parm(1) then SAVE 0 : END +# 20 rate = RATE_SVD("Albite") +# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 +# 40 SAVE area * rate * affinity * TIME +# -end + # KINETICS 1 # Albite_Svd # -formula NaAlSi3O8; -parms 0 1 20 0.67 # roughness = 20 @@ -2811,12 +2745,21 @@ END # END # KINETICS 1 -# Albite +# Albite # from Sverdrup and Warfvinge, 1995 # -formula NaAlSi3O8; -parms 1 20 # roughness = 20 # USER_GRAPH 1; -headings pH Sverdup`95*20 # INCLUDE$ kinetic_rates_pH.inc # END +# RATES +# Albite_Hermanska # 2022 +# 5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent +# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Albite") : if affinity < parm(1) then SAVE 0 : END +# 20 rate = RATE_HERMANSKA("Albite") +# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 +# 40 SAVE area * rate * affinity * TIME +# -end + # KINETICS 1 # Albite_Hermanska # -formula NaAlSi3O8; -parms 0 1 1 0.67 @@ -2835,10 +2778,21 @@ END # END # # compare rates for calcite dissolution +# # of Palandri and Kharaka, 2004 and Plummer, Wigley and Parkhurst, 1978 +# # at different initial CO2 concentrations. # # ===================================== # USER_GRAPH 1; -active false +# RATES +# Calcite_PK # Palandri and Kharaka, 2004 +# 5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent +# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("calcite") : if affinity < parm(1) then SAVE 0 : END +# 20 rate = RATE_PK("calcite") +# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 +# 40 SAVE area * rate * affinity * TIME +# -end + # SOLUTION 1 # pH 7 charge; C(4) 1 CO2(g) -2.5 # KINETICS 1 @@ -2878,9 +2832,20 @@ END # END # # compare rates for quartz dissolution +# # and the effect of NaCl # # ===================================== # USER_GRAPH 2; -active false + +# RATES +# Quartz_PK # Palandri and Kharaka, 2004 +# 5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent +# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Quartz") : if affinity < parm(1) then SAVE 0 : END +# 20 rate = RATE_PK("Quartz") +# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 +# 40 SAVE area * rate * affinity * TIME +# -end + # SOLUTION 1 # pH 7 charge # KINETICS 1 @@ -2894,6 +2859,15 @@ END # 10 graph_x total_time / 3.15e7 : graph_sy tot("Si") * 1e3 # END +# RATES +# Quartz_Hermanska # +# 5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent +# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Quartz") : if affinity < parm(1) then SAVE 0 : END +# 20 rate = RATE_HERMANSKA("Quartz") +# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 +# 40 SAVE area * rate * affinity * TIME +# -end + # USE solution 1 # KINETICS 1 # Quartz_Hermanska @@ -2904,6 +2878,15 @@ END # -headings H Hermanska # END +# RATES +# Quartz_Svd # Sverdrup, 2019 +# 5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent +# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Quartz") : if affinity < parm(1) then SAVE 0 : END +# 20 rate = RATE_SVD("Quartz") +# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 +# 40 SAVE area * rate * affinity * TIME +# -end + # USE solution 1 # KINETICS 1 # Quartz_Svd @@ -2914,6 +2897,16 @@ END # -headings H Sverdup # END +# RATES +# Quartz_Rimstidt_Barnes +# #1 rem Specific rate k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol, Rimstidt and Barnes, 1980, GCA 44, 1683 +# 5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent +# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Quartz") : if affinity < parm(1) then SAVE 0 : END +# 20 rate = 10^-(13.7 + 4700 * (1 / 298 - 1 / TK)) * (1 + 1500*tot("Na")) # salt correction, Dove and Rimstidt, MSA Rev. 29, 259 +# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 +# 40 SAVE area * rate * affinity * TIME +# -end + # USE solution 1 # KINETICS 1 # Quartz_Rimstidt_Barnes @@ -2945,11 +2938,43 @@ END # -headings H Rimstidt.et.al._NaCl # END -# # Example input file for calculating montmorillonite dissolution -# # ============================================================== +# # Example input file for calculating kinetic dissolution of Montmorillonite, +# # a solid solution with exchangeable cations reacting fast; +# # their ratios are related to the changing solution composition, +# # and their amounts are connected to the kinetic reacting TOT layer. +# # +# # The affinity is related to a solid solution member, given by the fraction of the +# # exchangeable cation (here Na+ or Ca+2). For the Gapon exchange formula, +# # the exchange species and their log_k`s are from the solid solution members in ThermoddemV1 +# # For the Gaines Thomas formula, the Mg+2 and Ca+2 species are redefined. +# # It also shows how the default X exchanger can be invkoed. +# # # ============================================================== # USER_GRAPH 3; -active false +# RATES +# Montmorillonite +# 5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent +# # Gapon and Gaines-Tomas exchange formulas +# 7 f_Na = (mol("Na0.34X_montm_mg") / tot("X_montm_mg")) +# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Montmorillonite(MgNa)") / f_Na +# 20 rate = RATE_HERMANSKA("Montmorillonite") / f_Na + +# # # Gapon, with Ca as exchange species... +# # 7 f_Ca = (mol("Ca0.17X_montm_mg") / tot("X_montm_mg")) +# # # use SR("Montmorillonite(Mgca)") +# # 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Montmorillonite(MgCa)") / f_Ca +# # 20 rate = RATE_HERMANSKA("Montmorillonite") / f_Ca + +# # # Gaines-Thomas exchange formula, with Ca as exchange species, uncomment the Gaines-Thomas EXCHANGE_SPECIES +# # 7 f_Ca = (mol("Ca0.34X_montm_mg2") / 2 / tot("X_montm_mg")) : ex = 0.5 +# # 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Montmorillonite(MgCa)") / f_Ca^ex +# # 20 rate = RATE_HERMANSKA("Montmorillonite") / f_Ca^ex + +# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 +# 40 SAVE area * rate * affinity * TIME +# -end + # EXCHANGE_MASTER_SPECIES # X_montm_mg X_montm_mg-0.34 # EXCHANGE_SPECIES diff --git a/mytest/rate_xmpls b/mytest/rate_xmpls index 651943635..50fc0560b 100644 --- a/mytest/rate_xmpls +++ b/mytest/rate_xmpls @@ -6,7 +6,21 @@ USER_PUNCH 101 -start 10 PUNCH STR_F$(MU, 20, 12) 20 PUNCH STR_F$(SC, 20, 10) - -end +# Example input files with RATES for KINETICS calculations +# +# compare Albite kinetics using rates from the compilations + # for the PARMS, see https://www.hydrochemistry.eu/exmpls/kin_silicates.html +# ========================================================= + +RATES +Albite_PK # Palandri and Kharaka, 2004 +5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent +10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Albite") : if affinity < parm(1) then SAVE 0 : END +20 rate = RATE_PK("Albite") +30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 +40 SAVE area * rate * affinity * TIME +-end + KINETICS 1 Albite_PK -formula NaAlSi3O8; -parms 0 1 1 0.67 @@ -41,6 +55,15 @@ USER_GRAPH 1; -headings pH Palandri INCLUDE$ kinetic_rates_pH.inc END +RATES +Albite_Svd # Sverdrup, 2019 +5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent +10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Albite") : if affinity < parm(1) then SAVE 0 : END +20 rate = RATE_SVD("Albite") +30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 +40 SAVE area * rate * affinity * TIME +-end + KINETICS 1 Albite_Svd -formula NaAlSi3O8; -parms 0 1 20 0.67 # roughness = 20 @@ -49,12 +72,21 @@ INCLUDE$ kinetic_rates_pH.inc END KINETICS 1 -Albite +Albite # from Sverdrup and Warfvinge, 1995 -formula NaAlSi3O8; -parms 1 20 # roughness = 20 USER_GRAPH 1; -headings pH Sverdup`95*20 INCLUDE$ kinetic_rates_pH.inc END +RATES +Albite_Hermanska # 2022 +5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent +10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Albite") : if affinity < parm(1) then SAVE 0 : END +20 rate = RATE_HERMANSKA("Albite") +30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 +40 SAVE area * rate * affinity * TIME +-end + KINETICS 1 Albite_Hermanska -formula NaAlSi3O8; -parms 0 1 1 0.67 @@ -73,10 +105,21 @@ USER_GRAPH 1; -headings Albite_data END # compare rates for calcite dissolution +# of Palandri and Kharaka, 2004 and Plummer, Wigley and Parkhurst, 1978 +# at different initial CO2 concentrations. # ===================================== USER_GRAPH 1; -active false +RATES +Calcite_PK # Palandri and Kharaka, 2004 +5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent +10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("calcite") : if affinity < parm(1) then SAVE 0 : END +20 rate = RATE_PK("calcite") +30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 +40 SAVE area * rate * affinity * TIME +-end + SOLUTION 1 pH 7 charge; C(4) 1 CO2(g) -2.5 KINETICS 1 @@ -116,9 +159,20 @@ USER_GRAPH 2; -headings h Plummer.Wigley.Parkhurst END # compare rates for quartz dissolution +# and the effect of NaCl # ===================================== USER_GRAPH 2; -active false + +RATES +Quartz_PK # Palandri and Kharaka, 2004 +5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent +10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Quartz") : if affinity < parm(1) then SAVE 0 : END +20 rate = RATE_PK("Quartz") +30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 +40 SAVE area * rate * affinity * TIME +-end + SOLUTION 1 pH 7 charge KINETICS 1 @@ -132,6 +186,15 @@ USER_GRAPH 3; -headings h Palandri 10 graph_x total_time / 3.15e7 : graph_sy tot("Si") * 1e3 END +RATES +Quartz_Hermanska # +5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent +10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Quartz") : if affinity < parm(1) then SAVE 0 : END +20 rate = RATE_HERMANSKA("Quartz") +30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 +40 SAVE area * rate * affinity * TIME +-end + USE solution 1 KINETICS 1 Quartz_Hermanska @@ -142,6 +205,15 @@ USER_GRAPH 3 -headings H Hermanska END +RATES +Quartz_Svd # Sverdrup, 2019 +5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent +10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Quartz") : if affinity < parm(1) then SAVE 0 : END +20 rate = RATE_SVD("Quartz") +30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 +40 SAVE area * rate * affinity * TIME +-end + USE solution 1 KINETICS 1 Quartz_Svd @@ -152,6 +224,16 @@ USER_GRAPH 3 -headings H Sverdup END +RATES +Quartz_Rimstidt_Barnes +#1 rem Specific rate k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol, Rimstidt and Barnes, 1980, GCA 44, 1683 +5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent +10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Quartz") : if affinity < parm(1) then SAVE 0 : END +20 rate = 10^-(13.7 + 4700 * (1 / 298 - 1 / TK)) * (1 + 1500*tot("Na")) # salt correction, Dove and Rimstidt, MSA Rev. 29, 259 +30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 +40 SAVE area * rate * affinity * TIME +-end + USE solution 1 KINETICS 1 Quartz_Rimstidt_Barnes @@ -183,11 +265,43 @@ USER_GRAPH 3 -headings H Rimstidt.et.al._NaCl END -# Example input file for calculating montmorillonite dissolution -# ============================================================== +# Example input file for calculating kinetic dissolution of Montmorillonite, +# a solid solution with exchangeable cations reacting fast; +# their ratios are related to the changing solution composition, +# and their amounts are connected to the kinetic reacting TOT layer. +# +# The affinity is related to a solid solution member, given by the fraction of the +# exchangeable cation (here Na+ or Ca+2). For the Gapon exchange formula, +# the exchange species and their log_k`s are from the solid solution members in ThermoddemV1 +# For the Gaines Thomas formula, the Mg+2 and Ca+2 species are redefined. +# It also shows how the default X exchanger can be invkoed. +# # ============================================================== USER_GRAPH 3; -active false +RATES +Montmorillonite +5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent +# Gapon and Gaines-Tomas exchange formulas +7 f_Na = (mol("Na0.34X_montm_mg") / tot("X_montm_mg")) +10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Montmorillonite(MgNa)") / f_Na +20 rate = RATE_HERMANSKA("Montmorillonite") / f_Na + +# # Gapon, with Ca as exchange species... +# 7 f_Ca = (mol("Ca0.17X_montm_mg") / tot("X_montm_mg")) +# # use SR("Montmorillonite(Mgca)") +# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Montmorillonite(MgCa)") / f_Ca +# 20 rate = RATE_HERMANSKA("Montmorillonite") / f_Ca + +# # Gaines-Thomas exchange formula, with Ca as exchange species, uncomment the Gaines-Thomas EXCHANGE_SPECIES +# 7 f_Ca = (mol("Ca0.34X_montm_mg2") / 2 / tot("X_montm_mg")) : ex = 0.5 +# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Montmorillonite(MgCa)") / f_Ca^ex +# 20 rate = RATE_HERMANSKA("Montmorillonite") / f_Ca^ex + +30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 +40 SAVE area * rate * affinity * TIME +-end + EXCHANGE_MASTER_SPECIES X_montm_mg X_montm_mg-0.34 EXCHANGE_SPECIES @@ -308,4 +422,3 @@ USER_GRAPH 4; -connect_simulations false; -headings Solution_99 20 plot_xy t, tot("K"), symbol = Circle , symbol_size = 15, color = Green 30 plot_xy t, tot("Mg"), symbol = Circle , symbol_size = 15, color = Blue 40 plot_xy t, tot("Ca"), symbol = Circle , symbol_size = 15, color = Orange - diff --git a/mytest/rate_xmpls.out b/mytest/rate_xmpls.out index 718f70230..c13bdcc38 100644 --- a/mytest/rate_xmpls.out +++ b/mytest/rate_xmpls.out @@ -19,8 +19,6 @@ Reading data base. RATE_PARAMETERS_PK RATE_PARAMETERS_SVD RATE_PARAMETERS_HERMANSKA - RATES - END ------------------------------------ Reading input data for simulation 1. ------------------------------------ @@ -33,7 +31,14 @@ Reading input data for simulation 1. start 10 PUNCH STR_F$(MU, 20, 12) 20 PUNCH STR_F$(SC, 20, 10) - end + RATES + Albite_PK # Palandri and Kharaka, 2004 + 5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent + 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Albite") : if affinity < parm(1) then SAVE 0 : END + 20 rate = RATE_PK("Albite") + 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 + 40 SAVE area * rate * affinity * TIME + end KINETICS 1 Albite_PK formula NaAlSi3O8 From bc21e6990a21a881303cc09e9b41f0abd58410af Mon Sep 17 00:00:00 2001 From: David Parkhurst Date: Sat, 18 May 2024 04:22:10 -0600 Subject: [PATCH 3/6] New version from Tony --- database/sit.dat | 26832 ++++++++++++++++++++++----------------------- 1 file changed, 12902 insertions(+), 13930 deletions(-) diff --git a/database/sit.dat b/database/sit.dat index 596a0d32e..adc5ecda0 100644 --- a/database/sit.dat +++ b/database/sit.dat @@ -1,15343 +1,14315 @@ # PHREEQC database -# Thermodynamic database ANDRA/RWM - THERMOCHIMIE-TDB (www.thermochimie-tdb.com) -# Version 9b0 -# Nom : ThermoChimie project -# BDD Date: 10/8/2015 -# Comment: no comment - -# NAMED_EXPRESSIONS - -# -# formation of O2 from H2O -# 2H2O = O2 + 4H+ + 4e- -# -# Log_K_O2 -# log_k -85.980 -# delta_H 559.526 kJ/mol -# -# -analytic 1.20446E+1 0E+0 -2.9226E+4 0E+0 0E+0 +# Thermodynamic database ANDRA - NWS - ONDRAF THERMO_CHIMIE (www.thermochimie-tdb.com) +# Version 12a +# Name : ThermoChimie project +# Database date: 22/08/2023 0:00:00 +# Generated by XCheck Tool v5.2.0 +# Comment: SOLUTION_MASTER_SPECIES - -#element species alk gfw_formula element_gfw -E e- 0 0 0 -Acetate Acetate- 0 Acetate 59.01 -Adipate Adipate-2 0 Adipate 144.07 -Ag Ag+ 0 Ag 107.8682 -Al Al+3 0 Al 26.9815 -Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05 -Am Am+3 0 Am 243 -Am(+2) Am+2 0 Am 243 -Am(+3) Am+3 0 Am 243 -Am(+4) Am+4 0 Am 243 -Am(+5) AmO2+ 0 Am 243 -Am(+6) AmO2+2 0 Am 243 -As AsO4-3 0 As 74.9216 -As(+3) H3(AsO3) 0 As 74.9216 -As(+5) AsO4-3 2 As 74.9216 -B B(OH)4- 1 B 10.811 -Ba Ba+2 0 Ba 137.327 -Br Br- 0 Br 79.904 -C CO3-2 2 CO3 12.011 -C(+4) CO3-2 2 CO3 12.011 -C(-4) CH4 0 CH4 12.011 -Ca Ca+2 0 Ca 40.078 -Cd Cd+2 0 Cd 112.411 -Cit Cit-3 0 Cit 189.1013 -Cl Cl- 0 Cl 35.4527 -Cm Cm+3 0 Cm 247 -Cn Cn- 0 Cn 26.018 -Co Co+2 0 Co 58.9332 -Cr CrO4-2 0 CrO4 51.9961 -Cr(+2) Cr+2 0 Cr 51.9961 -Cr(+3) Cr+3 -1 Cr 51.9961 -Cr(+6) CrO4-2 1 CrO4 51.9961 -Cs Cs+ 0 Cs 132.9054 -Cu Cu+2 0 Cu 63.546 -Cu(+1) Cu+ 0 Cu 63.546 -Cu(+2) Cu+2 0 Cu 63.546 -Edta Edta-4 0 Edta 288.2134 -Eu Eu+3 0 Eu 151.965 -Eu(+2) Eu+2 0 Eu 151.965 -Eu(+3) Eu+3 0 Eu 151.965 -F F- 0 F 18.9984 -Fe Fe+2 0 Fe 55.847 -Fe(+2) Fe+2 0 Fe 55.847 -Fe(+3) Fe+3 0 Fe 55.847 -Glu HGlu- 0 Glu 195.1459 -H H+ -1 H 1.0079 -H(+1) H+ -1 H 1.0079 -H(0) H2 0 H 1.0079 -Hf Hf+4 -4 Hf 178.49 -Hg Hg+2 0 Hg 200.59 -Hg(+2) Hg+2 0 Hg 200.59 -Hg(+1) Hg2+2 0 Hg2 401.18 -Ho Ho+3 0 Ho 164.9303 -I I- 0 I 126.9045 -I(+5) IO3- 0 I 126.9045 -I(-1) I- 0 I 126.9045 -Isa HIsa- 0 HIsa 180.1548 -K K+ 0 K 39.0983 -Li Li+ 0 Li 6.941 -Malonate Malonate-2 0 Malonate 63.99 -Mg Mg+2 0 Mg 24.305 -Mn Mn+2 0 Mn 54.938 -Mo MoO4-2 0 Mo 95.94 -N NO3- 0 N 14.0067 -N(+5) NO3- 0 N 14.0067 -N(-3) NH3 1 N 14.0067 -Na Na+ 0 Na 22.9898 -Nb Nb(OH)6- 0 Nb 92.9064 -Ni Ni+2 0 Ni 58.69 -Np NpO2+2 0 Np 237.048 -Np(+3) Np+3 0 Np 237.048 -Np(+4) Np+4 0 Np 237.048 -Np(+5) NpO2+ 0 Np 237.048 -Np(+6) NpO2+2 0 Np 237.048 -Nta Nta-3 0 Nta 188.1165 -O H2O 0 O 15.999 -O(0) O2 0 O 15.9994 -O(-2) H2O 0 O 15.9994 -Ox Ox-2 0 Ox 88.0196 -P H2(PO4)- 1 P 30.9738 -Pa Pa+4 0 Pa 231.0359 -Pa(+4) Pa+4 0 Pa 231.0359 -Pa(+5) PaO2+ 0 Pa 231.0359 -Pb Pb+2 0 Pb 207.2 -Pd Pd+2 -2 Pd 106.42 -Phthalat Phthalat-2 0 Phthalat 164.084 -Pu PuO2+2 0 Pu 244 -Pu(+3) Pu+3 0 Pu 244 -Pu(+4) Pu+4 0 Pu 244 -Pu(+5) PuO2+ 0 Pu 244 -Pu(+6) PuO2+2 0 Pu 244 -Pyrophos Pyrophos-4 0 Pyrophos 173.95 -Ra Ra+2 0 Ra 226.025 -Rb Rb+ 0 Rb 85.4678 -S SO4-2 0 SO4 32.066 -S(+2) S2O3-2 0 S 32.066 -S(+3) S2O4-2 0 S2O4-2 128.128 -S(+4) SO3-2 0 S 32.066 -S(+6) SO4-2 0 SO4 32.066 -S(-2) HS- 1 S 32.066 -Sb Sb(OH)3 0 Sb 121.76 -Sb(+3) Sb(OH)3 0 Sb 121.76 -Sb(+5) Sb(OH)5 0 Sb 121.76 -Scn Scn- 0 Scn 58.084 -Se SeO4-2 0 Se 78.96 -Se(+4) SeO3-2 0 Se 78.96 -Se(+6) SeO4-2 0 Se 78.96 -Se(-2) HSe- 0 Se 78.96 -Si H4(SiO4) 0 Si 28.0855 -Sm Sm+3 0 Sm 150.36 -Sn Sn+2 -1 Sn 118.71 -Sn(+2) Sn+2 -1 Sn 118.71 -Sn(+4) Sn+4 -4 Sn 118.71 -Sr Sr+2 0 Sr 87.62 -Suberate Suberate-2 0 Suberate 170.16 -Succinat Succinat-2 0 Succinat 116.07 -Tc TcO(OH)2 0 Tc 98 -Tc(+4) TcO(OH)2 0 Tc 98 -Tc(+6) TcO4-2 0 Tc 98 -Tc(+7) TcO4- 0 Tc 98 -Th Th+4 -3 Th 232.0381 -U UO2+2 0 U 238.0289 -U(+3) U+3 0 U 238.0289 -U(+4) U+4 0 U 238.0289 -U(+5) UO2+ 0 U 238.0289 -U(+6) UO2+2 0 U 238.0289 -Zn Zn+2 0 Zn 65.39 -Zr Zr+4 -4 Zr 91.22 - +#element species alk gfw_formula element_gfw +E e- 0 0 0 +Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.0436 +Adipate Adipate-2 1 Adipate 144.0700 +Acetate Acetate- 1 Acetate 59.0100 +Ag Ag+ -2 Ag 107.8682 +Al Al+3 0 Al 26.9815 +Am Am+3 0 Am 243.0000 +Am(+3) Am+3 0 Am 243.0000 +Am(+2) Am+2 0 Am 243.0000 +Am(+4) Am+4 0 Am 243.0000 +Am(+5) AmO2+ 0 Am 243.0000 +Am(+6) AmO2+2 0 Am 243.0000 +As AsO4-3 2 As 74.9216 +As(+5) AsO4-3 2 As 74.9216 +As(+3) H3(AsO3) 0 As 74.9216 +B B(OH)4- 1 B 10.8110 +Ba Ba+2 0 Ba 137.3270 +Be Be+2 0 Be 9.0122 +Br Br- 0 Br 79.9040 +C CO3-2 2 C 12.0110 +C(+4) CO3-2 2 C 12.0110 +C(-4) CH4 0 C 12.0110 +Ca Ca+2 0 Ca 40.0780 +Cd Cd+2 -1 Cd 112.4110 +Cit Cit-3 1 Cit 189.1013 +Cl Cl- 0 Cl 35.4527 +Cm Cm+3 0 Cm 247.0000 +Co Co+2 0 Co 58.9332 +Cr CrO4-2 1 Cr 51.9961 +Cr(+6) CrO4-2 1 Cr 51.9961 +Cr(+2) Cr+2 -1 Cr 51.9961 +Cr(+3) Cr+3 2 Cr 51.9961 +Cs Cs+ 0 Cs 132.9054 +Cu Cu+2 0 Cu 63.5460 +Cu(+2) Cu+2 0 Cu 63.5460 +Cu(+1) Cu+ -2 Cu 63.5460 +Edta Edta-4 2 Edta 288.2134 +Eu Eu+3 0 Eu 151.9650 +Eu(+3) Eu+3 0 Eu 151.9650 +Eu(+2) Eu+2 0 Eu 151.9650 +F F- 0 F 18.9984 +Fe Fe+2 0 Fe 55.8470 +Fe(+2) Fe+2 0 Fe 55.8470 +Fe(+3) Fe+3 -2 Fe 55.8470 +Glu HGlu- 0 Glu 194.1380 +H H+ -1 H 1.0079 +H(+1) H+ -1 H 1.0079 +H(0) H2 0 H 1.0079 +Hf Hf+4 -4 Hf 178.4900 +Hg Hg+2 -2 Hg 200.5900 +Hg(+2) Hg+2 -2 Hg 200.5900 +Hg(+1) Hg2+2 0 Hg 200.5900 +Ho Ho+3 0 Ho 164.9303 +I I- 0 I 126.9045 +I(-1) I- 0 I 126.9045 +I(+5) IO3- 0 I 126.9045 +Isa HIsa- 0 Isa 178.1421 +K K+ 0 K 39.0983 +Li Li+ 0 Li 6.9410 +Malonate Malonate-2 1 Malonate 102.0464 +Mg Mg+2 0 Mg 24.3050 +Mn Mn+2 0 Mn 54.9380 +Mo MoO4-2 0 Mo 95.9400 +N NO3- 0 N 14.0067 +N(+5) NO3- 0 N 14.0067 +N(-3) NH3 1 N 14.0067 +Na Na+ 0 Na 22.9898 +Nb Nb(OH)6- 1 Nb 92.9064 +Ni Ni+2 0 Ni 58.6900 +Np NpO2+2 0 Np 237.0480 +Np(+6) NpO2+2 0 Np 237.0480 +Np(+3) Np+3 0 Np 237.0480 +Np(+4) Np+4 -3 Np 237.0480 +Np(+5) NpO2+ 0 Np 237.0480 +Nta Nta-3 1 Nta 188.1165 +O H2O 0 O 15.9994 +O(-2) H2O 0 O 15.9994 +O(0) O2 0 O 15.9994 +Ox Ox-2 0 Ox 88.0196 +P H2(PO4)- 0 P 30.9738 +Pa Pa+4 -3 Pa 231.0359 +Pa(+4) Pa+4 -3 Pa 231.0359 +Pa(+5) PaO2+ 0 Pa 231.0359 +Pb Pb+2 -1 Pb 207.2000 +Pd Pd+2 -4 Pd 106.4200 +Phthalat Phthalat-2 2 Phthalat 164.0840 +Pu PuO2+2 0 Pu 244.0000 +Pu(+6) PuO2+2 0 Pu 244.0000 +Pu(+3) Pu+3 0 Pu 244.0000 +Pu(+4) Pu+4 -3 Pu 244.0000 +Pu(+5) PuO2+ -1 Pu 244.0000 +Pyrophos Pyrophos-4 2 Pyrophos 173.9500 +Ra Ra+2 0 Ra 226.0250 +Rb Rb+ 0 Rb 85.4678 +S SO4-2 0 S 32.0660 +S(+6) SO4-2 0 S 32.0660 +S(-2) HS- 1 S 32.0660 +S(+2) S2O3-2 0 S 32.0660 +S(+3) S2O4-2 0 S 32.0660 +S(+4) SO3-2 1 S 32.0660 +Sb Sb(OH)3 0 Sb 121.7600 +Sb(+3) Sb(OH)3 0 Sb 121.7600 +Sb(+5) Sb(OH)5 -6 Sb 121.7600 +Se SeO4-2 0 Se 78.9600 +Se(+6) SeO4-2 0 Se 78.9600 +Se(-2) HSe- -1 Se 78.9600 +Se(+4) SeO3-2 1 Se 78.9600 +Si H4(SiO4) 0 Si 28.0855 +Sm Sm+3 0 Sm 150.3600 +Sn Sn+2 -2 Sn 118.7100 +Sn(+2) Sn+2 -2 Sn 118.7100 +Sn(+4) Sn+4 -4 Sn 118.7100 +Sr Sr+2 0 Sr 87.6200 +Succinat Succinat-2 1 Succinat 116.0700 +Suberate Suberate-2 1 Suberate 172.1804 +Tc TcO(OH)2 0 Tc 98.0000 +Tc(+4) TcO(OH)2 0 Tc 98.0000 +Tc(+7) TcO4- 0 Tc 98.0000 +Tc(+6) TcO4-2 0 Tc 98.0000 +Th Th+4 0 Th 232.0381 +U UO2+2 0 U 238.0289 +U(+6) UO2+2 0 U 238.0289 +U(+3) U+3 0 U 238.0289 +U(+4) U+4 -3 U 238.0289 +U(+5) UO2+ 0 U 238.0289 +Zn Zn+2 0 Zn 65.3900 +Zr Zr+4 -4 Zr 91.2200 SIT -epsilon -(NpO2)2(OH)2+2 Cl- -0.248 -(NpO2)2(OH)2+2 ClO4- 0.57 -(NpO2)2CO3(OH)3- Na+ 0 -(NpO2)3(CO3)6-6 Na+ -0.46 -(NpO2)3(OH)5+ Cl- -0.226 -(NpO2)3(OH)5+ ClO4- 0.45 -(PuO2)2(OH)2+2 Cl- -0.248 -(PuO2)3(CO3)6-6 Na+ -0.46 -(UO2)2(CO3)(OH)3- Na+ 0 -(UO2)2(NpO2)(CO3)6-6 Na+ 0.09 -(UO2)2(OH)2+2 Cl- 0.69 -(UO2)2(OH)2+2 ClO4- 0.57 -(UO2)2(OH)2+2 NO3- 0.49 -(UO2)3(CO3)6-6 Na+ 0.37 -(UO2)3(OH)4+2 Cl- 0.5 -(UO2)3(OH)5+ Cl- 0.81 -Ag(SeO3)- Na+ -0.024 -Ag+ Cl- 0.031 -Al(OH)+2 Cl- 0.09 -Al(OH)2+ Cl- 0.09 -Al+3 Cl- 0.33 -Am(CO3)+ Cl- 0.129 -Am(CO3)+ ClO4- 0.17 -Am(CO3)2- Na+ -0.14 -Am(CO3)3-3 Na+ -0.23 -Am(CO3)5-6 Na+ -0.3 -Am(Edta)- Na+ 0.01 -Am(H2PO4)+2 Cl- 0.191 -Am(H2PO4)+2 ClO4- 0.39 -Am(NO3)+2 Cl- 0.191 -Am(NO3)+2 ClO4- 0.39 -Am(OH)+2 Cl- -0.04 -Am(OH)+2 ClO4- 0.39 -Am(OH)2+ Cl- -0.29 -Am(OH)2+ ClO4- 0.17 -Am(Ox)+ ClO4- 0.08 -Am(Ox)2- Na+ -0.21 -Am(Ox)3-3 Na+ -0.23 -Am(SO4)+ Cl- 0.157 -Am(SO4)+ ClO4- 0.22 -Am(SO4)2- Na+ -0.05 -Am+3 Cl- 0.23 -Am+3 ClO4- 0.49 -AmCl+2 Cl- 0.191 -AmCl+2 ClO4- 0.39 -AmCl2+ Cl- 0.129 -AmF+2 Cl- 0.191 -AmF+2 ClO4- 0.39 -AmF2+ Cl- 0.129 -AmF2+ ClO4- 0.17 -AmO2(CO3)- Na+ -0.18 -AmO2(CO3)2-3 Na+ -0.33 -AmO2(CO3)3-5 Na+ -0.53 -AmO2+ Cl- 0.09 -AmO2+2 Cl- 0.39 -B(OH)4- Na+ -0.07 -Ba+2 Cl- 0.07 -Ba+2 ClO4- 0.15 -Ba+2 NO3- -0.28 -Br- Na+ 0.05 -CO3-2 Na+ -0.08 -Ca+2 Cl- 0.14 -Ca+2 ClO4- 0.27 -Ca+2 NO3- 0.02 -Ca4Th(OH)8+4 Cl- -0.01 -Ca4Th(OH)8+4 ClO4- 0.21 -Cd(HCO3)+ Cl- 0.2 -Cd+2 Cl- 0.16 -Cd+2 NO3- 0.09 -CdCl+ Cl- 0.127 -CdCl+ ClO4- 0.25 -CdI+ Cl- 0.136 -CdI+ ClO4- 0.27 -Cit-3 Na+ -0.076 -Cl- Na+ 0.03 -Cm(CO3)2- Na+ 0.34 -Cm(CO3)3-3 Na+ 0.16 -Cm(H2PO4)+2 Cl- 0.191 -Cm(H2PO4)+2 ClO4- 0.39 -Cm(OH)+2 Cl- -0.04 -Cm(OH)+2 ClO4- 0.39 -Cm(OH)2+ Cl- -0.27 -Cm(OH)2+ ClO4- 0.17 -Cm(SO4)2- Na+ -0.05 -Cm+3 Cl- 0.23 -Cm+3 ClO4- 0.49 -CmCO3+ Cl- 0.35 -CmCl+2 Cl- 0.191 -CmCl+2 ClO4- 0.39 -CmCl2+ Cl- 0.129 -CmF+2 ClO4- 0.39 -CmF2+ ClO4- 0.17 -CmNO3+2 ClO4- 0.39 -CmSO4+ Cl- 0.157 -CmSO4+ ClO4- 0.22 -Cn- Na+ 0.07 -Co+2 Cl- 0.16 -Co+2 ClO4- 0.34 -Co+2 NO3- 0.14 -Cr+3 Cl- 0.3 -Cr+3 NO3- 0.27 -Cu+ ClO4- 0.11 -Cu+2 Cl- 0.08 -Cu+2 ClO4- 0.32 -Cu+2 NO3- 0.11 -Edta-4 Na+ 0.32 -Eu(CO3)+ Cl- 0.129 -Eu(CO3)+ ClO4- 0.17 -Eu(CO3)2- Na+ -0.14 -Eu(CO3)3-3 Na+ -0.23 -Eu(H2PO4)+2 Cl- 0.191 -Eu(H2PO4)+2 ClO4- 0.39 -Eu(NO3)+2 Cl- 0.191 -Eu(NO3)+2 ClO4- 0.39 -Eu(OH)+2 Cl- -0.04 -Eu(OH)+2 ClO4- 0.39 -Eu(OH)2+ Cl- -0.29 -Eu(OH)2+ ClO4- 0.17 -Eu(SO4)+ Cl- 0.157 -Eu(SO4)+ ClO4- 0.22 -Eu(SO4)2- Na+ -0.05 -Eu+3 Cl- 0.23 -Eu+3 ClO4- 0.49 -EuCl+2 Cl- 0.191 -EuCl+2 ClO4- 0.39 -EuCl2+ Cl- 0.129 -EuF+2 Cl- 0.191 -EuF2+ Cl- 0.129 -F- Na+ 0.02 -Fe(OH)+2 Cl- 0.186 -Fe+3 ClO4- 0.56 -Fe+3 NO3- 0.42 -H(Cit)-2 Na+ -0.04 -H(Edta)-3 Na+ -0.1 -H(Ox)- Na+ -0.07 -H(SO4)- Na+ -0.01 -H(SeO3)- Na+ 0.02 -H(SeO4)- Na+ 0 -H+ Cl- 0.12 -H+ ClO4- 0.14 -H+ NO3- 0.07 -H2(Cit)- Na+ -0.05 -H2(Edta)-2 Na+ -0.37 -H2(PO4)- Na+ -0.08 -H2(SiO4)-2 Na+ -0.1 -H3(Edta)- Na+ -0.33 -H3(SiO4)- Na+ -0.08 -H5(Edta)+ Cl- -0.23 -H5(Edta)+ ClO4- -0.23 -H5(Edta)+ NO3- -0.23 -H6(Edta)+2 Cl- -0.2 -H6(Edta)+2 ClO4- -0.2 -H6(Edta)+2 NO3- -0.2 -HCO3- Na+ 0 -HGlu- Na+ -0.07 -HIsa- Na+ -0.07 -HMoO4- Na+ -0.099 -HPO4-2 Na+ -0.15 -Hf(NO3)2+2 ClO4- 0.84 -Hf(OH)+3 ClO4- 0.57 -Hf+4 Cl- 0.89 -Hf+4 ClO4- 0.89 -Hf+4 NO3- 0.89 -HfCl+3 ClO4- 0.87 -HfCl2+2 ClO4- 0.84 -HfF+3 ClO4- 0.63 -HfF2+2 ClO4- 0.47 -HfNO3+3 ClO4- 0.91 -Hg(SeO3)2-2 Na+ 0.008 -Hg+2 Cl- 0.168 -Hg2+2 Cl- 0.054 -Ho(CO3)+ Cl- 0.129 -Ho(CO3)+ ClO4- 0.17 -Ho(CO3)2- Na+ -0.14 -Ho(CO3)3-3 Na+ -0.23 -Ho(H2PO4)+2 Cl- 0.191 -Ho(H2PO4)+2 ClO4- 0.39 -Ho(NO3)+2 Cl- 0.191 -Ho(NO3)+2 ClO4- 0.39 -Ho(OH)+2 Cl- -0.04 -Ho(OH)+2 ClO4- 0.39 -Ho(OH)2+ Cl- -0.29 -Ho(OH)2+ ClO4- 0.17 -Ho(SO4)+ Cl- 0.157 -Ho(SO4)+ ClO4- 0.22 -Ho(SO4)2- Na+ -0.05 -Ho+3 Cl- 0.23 -Ho+3 ClO4- 0.49 -HoCl+2 Cl- 0.191 -HoCl+2 ClO4- 0.39 -HoCl2+ Cl- 0.129 -HoF+2 Cl- 0.191 -HoF+2 ClO4- 0.39 -HoF2+ Cl- 0.129 -HoF2+ ClO4- 0.17 -I- Na+ 0.08 -IO3- Na+ -0.06 -K+ Cl- 0 -K+ NO3- -0.11 -Li+ Cl- 0.1 -Li+ ClO4- 0.15 -Li+ NO3- 0.08 -Mg(Cit)- Na+ 0.03 -Mg(Edta)-2 Na+ -0.01 -Mg(HEdta)- Na+ 0.11 -Mg(Ox)2-2 Na+ -0.15 -Mg+2 Cl- 0.19 -Mg+2 ClO4- 0.33 -Mg+2 NO3- 0.17 -Mn+2 Cl- 0.13 -Mo7O21(OH)3-3 Na+ -1.455 -Mo7O22(OH)2-4 Na+ -1.346 -Mo7O23(OH)-5 Na+ -1.145 -Mo7O24-6 Na+ -1.265 -MoO4-2 Na+ 0.034 -NH4+ Cl- -0.01 -NH4+ ClO4- -0.08 -NH4+ NO3- -0.06 -NO3- Na+ -0.04 -Na+ ClO4- 0.01 -Ni(CO3)2-2 Na+ 0.003 -Ni(Cit)- Na+ 0.22 -Ni(Cn)4-2 Na+ 0.185 -Ni(Cn)5-3 Na+ 0.25 -Ni(HCO3)+ Cl- 0.085 -Ni(NO3)+ Cl- 0.06 -Ni(NO3)+ ClO4- 0.44 -Ni(OH)+ Cl- -0.01 -Ni(OH)+ ClO4- 0.14 -Ni(OH)3- Na+ 0.88 -Ni(SO4)2-2 Na+ -0.263 -Ni(Scn)+ Cl- 0.11 -Ni(Scn)+ ClO4- 0.31 -Ni(Scn)3- Na+ 0.66 -Ni+2 Cl- 0.17 -Ni+2 ClO4- 0.37 -Ni+2 NO3- 0.182 -Ni4(OH)4+4 ClO4- 1.08 -NiCl+ Cl- 0.1 -NiCl+ ClO4- 0.34 -NiF+ Cl- 0.065 -NiF+ ClO4- 0.34 -NiHS+ ClO4- -0.85 -Np(CO3)(OH)3- Na+ -0.11 -Np(CO3)+ Cl- 0.129 -Np(CO3)+ ClO4- 0.17 -Np(CO3)2- Na+ -0.14 -Np(CO3)3-3 Na+ -0.23 -Np(CO3)4-4 Na+ -0.09 -Np(CO3)5-6 Na+ 0 -Np(NO3)+3 ClO4- 0.71 -Np(OH)+2 Cl- -0.04 -Np(OH)+2 ClO4- 0.39 -Np(OH)+3 Cl- 0.2 -Np(OH)+3 ClO4- 0.5 -Np(OH)2+ Cl- -0.29 -Np(OH)2+ ClO4- 0.17 -Np(OH)2+2 Cl- 0.1 -Np(OH)3+ Cl- 0.05 -Np(OH)4(CO3)-2 Na+ -0.13 -Np(SO4)+ Cl- 0.157 -Np(SO4)+ ClO4- 0.22 -Np(SO4)+2 Cl- 0.232 -Np(SO4)+2 ClO4- 0.48 -Np(SO4)2- Na+ -0.05 -Np+3 Cl- 0.23 -Np+3 ClO4- 0.49 -Np+4 Cl- 0.4 -Np+4 ClO4- 0.84 -NpCl+3 ClO4- 0.81 -NpF+3 ClO4- 0.58 -NpF2+2 Cl- 0.186 -NpF2+2 ClO4- 0.38 -NpF3+ Cl- 0.1 -NpI+3 ClO4- 0.77 -NpO2(CO3)- Na+ -0.18 -NpO2(CO3)2-2 Na+ -0.02 -NpO2(CO3)2-3 Na+ -0.33 -NpO2(CO3)2OH-4 Na+ -0.4 -NpO2(CO3)3-4 Na+ -0.4 -NpO2(CO3)3-5 Na+ -0.53 -NpO2(Cit)-2 Na+ -0.06 -NpO2(Edta)-3 Na+ 0.2 -NpO2(HEdta)-2 Na+ 0.07 -NpO2(HPO4)2-2 Na+ -0.1 -NpO2(NO3)+ Cl- 0.22 -NpO2(NO3)+ ClO4- 0.33 -NpO2(OH)+ Cl- -0.003 -NpO2(OH)+ ClO4- -0.06 -NpO2(OH)2- Na+ -0.01 -NpO2(Ox)- Na+ -0.4 -NpO2(Ox)2-3 Na+ -0.3 -NpO2(SO4)- Na+ -0.74 -NpO2(SO4)2-2 Na+ -0.12 -NpO2+ Cl- 0.09 -NpO2+ ClO4- 0.25 -NpO2+2 Cl- 0.223 -NpO2+2 ClO4- 0.46 -NpO2Cl+ Cl- 0.318 -NpO2Cl+ ClO4- 0.5 -NpO2F+ Cl- 0.197 -NpO2F+ ClO4- 0.29 -OH- Na+ 0.04 -Ox-2 Na+ -0.08 -PO4-3 Na+ -0.25 -Pa+4 Cl- 0.3 -PaO(OH)+2 Cl- 0.13 -Pb(OH)3- Na+ 0.02 -Pb(SO4)2-2 Na+ -0.52 -Pb+2 Cl- 0.081 -Pb+2 ClO4- 0.15 -Pb+2 NO3- -0.2 -PbF+ Cl- 0.14 -Pd(SO4)2-2 Na+ -0.12 -Pd+2 Cl- 0.16 -PdBr+ Cl- 0.175 -PdBr3- Na+ 0 -PdBr4-2 Na+ 0.1 -PdCl+ Cl- 0.175 -PdCl3- Na+ 0 -PdCl4-2 Na+ 0.1 -Pu(CO3)+ Cl- 0.129 -Pu(CO3)+ ClO4- 0.17 -Pu(CO3)2- Na+ -0.14 -Pu(CO3)3-3 Na+ -0.23 -Pu(CO3)4-4 Na+ -0.09 -Pu(CO3)5-6 Na+ 0 -Pu(NO3)+2 Cl- 0.191 -Pu(NO3)+2 ClO4- 0.39 -Pu(NO3)+3 ClO4- 0.59 -Pu(OH)+2 Cl- -0.04 -Pu(OH)+2 ClO4- 0.39 -Pu(OH)+3 Cl- 0.2 -Pu(OH)+3 ClO4- 0.5 -Pu(OH)2+ Cl- -0.29 -Pu(OH)2+ ClO4- 0.17 -Pu(OH)2+2 Cl- 0.1 -Pu(OH)3+ Cl- 0.05 -Pu(SO4)+ Cl- 0.157 -Pu(SO4)+ ClO4- 0.22 -Pu(SO4)+2 Cl- 0.232 -Pu(SO4)+2 ClO4- 0.36 -Pu(SO4)2- Na+ -0.05 -Pu+3 Cl- 0.23 -Pu+3 ClO4- 0.49 -Pu+4 Cl- 0.37 -Pu+4 ClO4- 0.82 -PuBr+3 Cl- 0.1 -PuBr+3 ClO4- 0.58 -PuCl+3 Cl- 0.1 -PuCl+3 ClO4- 0.85 -PuF+3 Cl- 0.1 -PuF+3 ClO4- 0.56 -PuF2+2 Cl- 0.177 -PuF2+2 ClO4- 0.36 -PuF3+ Cl- 0.1 -PuI+2 Cl- 0.191 -PuI+2 ClO4- 0.39 -PuI+3 Cl- 0.1 -PuO2(CO3)2-2 Na+ -0.7 -PuO2(CO3)3-4 Na+ -0.2 -PuO2(CO3)3-5 Na+ -0.53 -PuO2(OH)+ Cl- -0.003 -PuO2(SO4)- Na+ -0.74 -PuO2(SO4)2-2 Na+ -0.12 -PuO2+ Cl- 0.129 -PuO2+ ClO4- 0.24 -PuO2+2 Cl- 0.223 -PuO2+2 ClO4- 0.46 -PuO2CO3- Na+ -0.18 -PuO2Cl+ Cl- 0.318 -PuO2Cl+ ClO4- 0.5 -PuO2F+ Cl- 0.197 -PuO2F+ ClO4- 0.29 -PuO2F3- Na+ 0 -PuO2NO3+ Cl- 0.22 -PuO2NO3+ ClO4- 0.33 -SO3-2 Na+ -0.08 -SO4-2 Na+ -0.12 -Scn- Na+ 0.05 -SeO3-2 Na+ -0.08 -SeO4-2 Na+ -0.12 -Si2O2(OH)5- Na+ -0.08 -Si2O3(OH)4-2 Na+ -0.15 -Si3O5(OH)5-3 Na+ -0.25 -Si3O6(OH)3-3 Na+ -0.25 -Si4O8(OH)4-4 Na+ -0.26 -Sm(CO3)+ Cl- 0.129 -Sm(CO3)+ ClO4- 0.17 -Sm(CO3)2- Na+ -0.14 -Sm(CO3)3-3 Na+ -0.23 -Sm(H2PO4)+2 Cl- 0.191 -Sm(H2PO4)+2 ClO4- 0.39 -Sm(NO3)+2 Cl- 0.191 -Sm(NO3)+2 ClO4- 0.39 -Sm(OH)+2 Cl- -0.04 -Sm(OH)+2 ClO4- 0.39 -Sm(OH)2+ Cl- -0.29 -Sm(OH)2+ ClO4- 0.17 -Sm(SO4)+ Cl- 0.157 -Sm(SO4)+ ClO4- 0.22 -Sm(SO4)2- Na+ -0.05 -Sm+3 Cl- 0.23 -Sm+3 ClO4- 0.49 -SmCl+2 Cl- 0.191 -SmCl+2 ClO4- 0.39 -SmF+2 Cl- 0.191 -SmF+2 ClO4- 0.39 -Sn(OH)+ ClO4- -0.07 -Sn(OH)3- Na+ 0.22 -Sn+2 Cl- 0.14 -Sn+2 ClO4- 0.19 -Sn+4 ClO4- 0.7 -Sn3(OH)4+2 ClO4- -0.02 -SnBr+ ClO4- 0.17 -SnBr3- Na+ 0.16 -SnCl+ ClO4- 0.08 -SnCl3- Na+ 0.04 -SnF+ ClO4- 0.14 -Th(CO3)5-6 Na+ -0.3 -Th(H2PO4)+3 ClO4- 0.5 -Th(H2PO4)2+2 ClO4- 0.4 -Th(H3PO4)(H2PO4)+3 ClO4- 0.5 -Th(H3PO4)+4 ClO4- 0.7 -Th(NO3)+3 ClO4- 0.56 -Th(NO3)+3 NO3- 0.56 -Th(NO3)2+2 ClO4- 0.43 -Th(NO3)2+2 NO3- 0.43 -Th(OH)(CO3)4-5 Na+ -0.22 -Th(OH)+3 Cl- 0.19 -Th(OH)+3 ClO4- 0.48 -Th(OH)+3 NO3- 0.2 -Th(OH)2(CO3)2-2 Na+ -0.1 -Th(OH)2+2 Cl- 0.13 -Th(OH)2+2 ClO4- 0.33 -Th(OH)2+2 NO3- 0.1 -Th(OH)3(CO3)- Na+ -0.05 -Th(OH)3+ Cl- 0.06 -Th(OH)3+ ClO4- 0.15 -Th(OH)3+ NO3- 0.05 -Th(OH)4(CO3)-2 Na+ -0.1 -Th(SO4)+2 Cl- 0.14 -Th(SO4)+2 ClO4- 0.3 -Th(SO4)3-2 Na+ -0.091 -Th+4 Cl- 0.7 -Th+4 ClO4- 0.7 -Th+4 NO3- 0.7 -Th2(OH)2+6 Cl- 0.4 -Th2(OH)2+6 ClO4- 1.22 -Th2(OH)2+6 NO3- 0.69 -Th2(OH)3+5 Cl- 0.29 -Th2(OH)3+5 ClO4- 0.91 -Th2(OH)3+5 NO3- 0.69 -Th4(OH)12+4 Cl- 0.25 -Th4(OH)12+4 ClO4- 0.56 -Th4(OH)12+4 NO3- 0.42 -Th4(OH)8+8 Cl- 0.7 -Th4(OH)8+8 ClO4- 1.69 -Th4(OH)8+8 NO3- 1.59 -Th6(OH)14+10 Cl- 0.83 -Th6(OH)14+10 ClO4- 2.2 -Th6(OH)14+10 NO3- 2.9 -Th6(OH)15+9 Cl- 0.72 -Th6(OH)15+9 ClO4- 1.85 -Th6(OH)15+9 NO3- 2.2 -ThCl+3 Cl- 0.62 -ThCl+3 ClO4- 0.62 -ThF+3 ClO4- 0.48 -ThF+3 NO3- 0.25 -ThF2+2 ClO4- 0.3 -ThF2+2 NO3- 0.15 -ThF3+ ClO4- 0.1 -ThF3+ NO3- 0 -U(CO3)4-4 Na+ -0.09 -U(CO3)5-6 Na+ -0.3 -U(NO3)+3 ClO4- 0.62 -U(NO3)2+2 Cl- 0.236 -U(NO3)2+2 ClO4- 0.49 -U(OH)+3 Cl- 0.2 -U(OH)+3 ClO4- 0.48 -U(OH)2+2 Cl- 0.1 -U(OH)3+ Cl- 0.05 -U(SO4)+2 Cl- 0.149 -U(SO4)+2 ClO4- 0.3 -U+3 Cl- 0.23 -U+3 ClO4- 0.49 -U+4 Cl- 0.36 -U+4 ClO4- 0.76 -UBr+3 ClO4- 0.52 -UCl+3 Cl- 0.1 -UCl+3 ClO4- 0.5 -UF+3 Cl- 0.1 -UF+3 ClO4- 0.48 -UF2+2 Cl- 0.149 -UF2+2 ClO4- 0.3 -UF3+ Cl- 0.1 -UF3+ ClO4- 0.1 -UI+3 ClO4- 0.55 -UI+3 NO3- 0.56 -UO2(CO3)2-2 Na+ -0.02 -UO2(CO3)3-4 Na+ -0.01 -UO2(CO3)3-5 Na+ -0.62 -UO2(Cit)- Na+ -0.11 -UO2(NO3)+ Cl- 0.22 -UO2(NO3)+ ClO4- 0.33 -UO2(OH)+ Cl- -0.003 -UO2(OH)+ ClO4- -0.06 -UO2(OH)+ NO3- 0.51 -UO2(OH)3- Na+ -0.09 -UO2(Ox)2-2 Na+ -0.18 -UO2(Ox)3-4 Na+ -0.01 -UO2(SO4)2-2 Na+ -0.12 -UO2+ Cl- 0.18 -UO2+ ClO4- 0.26 -UO2+2 Cl- 0.46 -UO2+2 ClO4- 0.46 -UO2+2 NO3- 0.46 -UO2Br+ Cl- 0.169 -UO2Br+ ClO4- 0.24 -UO2Cl+ Cl- 0.22 -UO2Cl+ ClO4- 0.33 -UO2F+ Cl- 0.04 -UO2F+ ClO4- 0.28 -UO2F3- Na+ -0.14 -UO2F4-2 Na+ -0.3 -Zn+2 Cl- 0.163 -Zn+2 ClO4- 0.33 -Zn+2 NO3- 0.16 -Zr(CO3)4-4 Na+ -0.09 -Zr(NO3)2+2 ClO4- 0.84 -Zr(OH)+3 ClO4- 0.57 -Zr(OH)2+2 ClO4- 0.62 -Zr(OH)6-2 Na+ -0.1 -Zr+4 Cl- 0.89 -Zr+4 ClO4- 0.89 -Zr+4 NO3- 0.89 -Zr4(OH)15+ ClO4- 0.09 -ZrCl+3 ClO4- 0.87 -ZrCl2+2 ClO4- 0.84 -ZrF+3 ClO4- 0.63 -ZrF2+2 ClO4- 0.47 -ZrF5- Na+ -0.14 -ZrF6-2 Na+ -0.15 -ZrNO3+3 ClO4- 0.88 - +(NpO2)2(OH)2+2 Cl- -0.248 +(NpO2)2(OH)2+2 ClO4- 0.570 +(NpO2)2CO3(OH)3- Na+ 0.000 +(NpO2)3(CO3)6-6 Na+ -0.460 +(NpO2)3(OH)5+ Cl- -0.226 +(NpO2)3(OH)5+ ClO4- 0.450 +(PuO2)2(OH)2+2 Cl- -0.248 +(PuO2)3(CO3)6-6 Na+ -0.460 +(UO2)2(Cit)(OH)2- Na+ 0.600 +(UO2)2(Cit)2(OH)2-4 Na+ 0.560 +(UO2)2(Cit)2(OH)-3 Na+ 0.700 +(UO2)2(Cit)2-2 Na+ -0.110 +(UO2)2(CO3)(OH)3- Na+ 0.000 +(UO2)2(NpO2)(CO3)6-6 Na+ 0.090 +(UO2)2(OH)2+2 Cl- 0.690 +(UO2)2(OH)2+2 ClO4- 0.570 +(UO2)2(OH)2+2 NO3- 0.490 +(UO2)3(CO3)6-6 Na+ 0.370 +(UO2)3(OH)4+2 Cl- 0.500 +(UO2)3(OH)4+2 ClO4- 0.890 +(UO2)3(OH)4+2 NO3- 0.720 +(UO2)3(OH)5+ Cl- 0.810 +(UO2)3(OH)5+ ClO4- 0.450 +(UO2)3(OH)5+ NO3- 0.410 +Ag(SeO3)- Na+ -0.024 +Ag+ Cl- 0.031 +Al(OH)+2 Cl- 0.090 +Al(OH)2+ Cl- 0.090 +Al+3 Cl- 0.330 +Am(CO3)+ Cl- 0.210 +Am(CO3)+ ClO4- 0.210 +Am(CO3)2- Na+ 0.060 +Am(CO3)3-3 Na+ 0.080 +Am(CO3)5-6 Na+ -0.300 +Am(Edta)- Na+ 0.010 +Am(H2PO4)+2 Cl- 0.191 +Am(H2PO4)+2 ClO4- 0.390 +Am(NO3)+2 ClO4- 0.390 +Am(OH)+2 Cl- -0.040 +Am(OH)+2 ClO4- 0.390 +Am(OH)2+ Cl- -0.290 +Am(OH)2+ ClO4- 0.170 +Am(Ox)+ ClO4- 0.080 +Am(Ox)2- Na+ -0.210 +Am(Ox)3-3 Na+ -0.230 +Am(SO4)+ Cl- 0.157 +Am(SO4)+ ClO4- 0.220 +Am(SO4)2- Na+ -0.050 +Am+3 Cl- 0.230 +Am+3 ClO4- 0.490 +AmCl+2 Cl- 0.191 +AmCl+2 ClO4- 0.390 +AmCl2+ Cl- 0.129 +AmF+2 Cl- 0.191 +AmF+2 ClO4- 0.390 +AmF2+ Cl- 0.129 +AmF2+ ClO4- 0.170 +AmO2(CO3)- Na+ -0.180 +AmO2(CO3)2-3 Na+ -0.330 +AmO2(CO3)3-5 Na+ -0.530 +AmO2+ Cl- 0.090 +AmO2+2 Cl- 0.390 +B(OH)4- Na+ -0.070 +Ba+2 Cl- 0.070 +Ba+2 ClO4- 0.150 +Ba+2 NO3- -0.280 +Be(OH)+ ClO4- 0.220 +Be(OH)3- Na+ 0.020 +Be(OH)4-2 Na+ 0.030 +Be+2 Cl- 0.100 +Be+2 ClO4- 0.300 +Be+2 NO3- 0.160 +Be2(OH)+3 Cl- 0.300 +Be2(OH)+3 ClO4- 0.500 +Be2(OH)+3 NO3- 0.270 +Be3(OH)(CO3)+3 ClO4- 0.510 +Be3(OH)3+3 Cl- 0.300 +Be3(OH)3+3 ClO4- 0.510 +Be3(OH)3+3 NO3- 0.290 +Be5(OH)4(CO3)+4 ClO4- 0.800 +Be5(OH)6+4 ClO4- 0.800 +Be6(OH)5(CO3)2+3 Cl- 0.510 +Be6(OH)8+4 ClO4- 0.600 +Be6(OH)8+4 NO3- 0.600 +BeCl+ Cl- 0.090 +Br- Na+ 0.050 +Ca(Am(OH)3)+2 Cl- 0.050 +Ca(Cm(OH)3)+2 Cl- 0.050 +Ca(NpO2(OH)2)+ Cl- -0.070 +Ca+2 Cl- 0.140 +Ca+2 ClO4- 0.270 +Ca+2 NO3- 0.020 +Ca2(Am(OH)4)+3 Cl- 0.290 +Ca2(Cm(OH)4)+3 Cl- 0.290 +Ca3(Am(OH)6)+3 Cl- 0.000 +Ca3(Cm(OH)6)+3 Cl- 0.000 +Ca3(NpO2(OH)5)+2 Cl- -0.200 +Ca4Pu(OH)8+4 Cl- 0.120 +Ca4Th(OH)8+4 Cl- -0.010 +Ca4Th(OH)8+4 ClO4- 0.210 +CaUO2(CO3)3-2 Na+ -0.020 +Cd(HCO3)+ Cl- 0.200 +Cd+2 Cl- 0.160 +Cd+2 NO3- 0.090 +CdCl+ Cl- 0.127 +CdCl+ ClO4- 0.250 +CdI+ Cl- 0.136 +CdI+ ClO4- 0.270 +Cit-3 Na+ -0.076 +Cl- Na+ 0.030 +Cm(CO3)+ Cl- 0.210 +Cm(CO3)+ ClO4- 0.210 +Cm(CO3)2- Na+ 0.060 +Cm(CO3)3-3 Na+ 0.080 +Cm(H2PO4)+2 Cl- 0.191 +Cm(H2PO4)+2 ClO4- 0.390 +Cm(NO3)+2 ClO4- 0.390 +Cm(OH)+2 Cl- -0.040 +Cm(OH)+2 ClO4- 0.390 +Cm(OH)2+ Cl- -0.270 +Cm(OH)2+ ClO4- 0.170 +Cm(SO4)+ Cl- 0.157 +Cm(SO4)+ ClO4- 0.220 +Cm(SO4)2- Na+ -0.050 +Cm+3 Cl- 0.230 +Cm+3 ClO4- 0.490 +CmCl+2 Cl- 0.191 +CmCl+2 ClO4- 0.390 +CmCl2+ Cl- 0.129 +CmF+2 ClO4- 0.390 +CmF2+ ClO4- 0.170 +Co+2 Cl- 0.160 +Co+2 ClO4- 0.340 +Co+2 NO3- 0.140 +CO3-2 Na+ -0.080 +Cr+3 Cl- 0.300 +Cr+3 NO3- 0.270 +Cu(OH)+ ClO4- -0.130 +Cu(OH)4-2 Na+ 0.190 +Cu+ ClO4- 0.110 +Cu+2 Cl- 0.080 +Cu+2 ClO4- 0.320 +Cu+2 NO3- 0.110 +Cu2(OH)+3 ClO4- 0.470 +Cu2(OH)2+2 ClO4- 0.330 +CuCl+ ClO4- 0.310 +CuCl2- Na+ 0.070 +CuCl3- Na+ 0.000 +CuCl3-2 Na+ 0.140 +CuCl4-2 Na+ -0.050 +Edta-4 Na+ 0.320 +Eu(CO3)+ Cl- 0.129 +Eu(CO3)+ ClO4- 0.170 +Eu(CO3)2- Na+ -0.140 +Eu(CO3)3-3 Na+ -0.230 +Eu(H2PO4)+2 Cl- 0.191 +Eu(H2PO4)+2 ClO4- 0.390 +Eu(NO3)+2 Cl- 0.191 +Eu(NO3)+2 ClO4- 0.390 +Eu(OH)+2 Cl- -0.040 +Eu(OH)+2 ClO4- 0.390 +Eu(OH)2+ Cl- -0.290 +Eu(OH)2+ ClO4- 0.170 +Eu(SO4)+ Cl- 0.157 +Eu(SO4)+ ClO4- 0.220 +Eu(SO4)2- Na+ -0.050 +Eu+3 Cl- 0.230 +Eu+3 ClO4- 0.490 +EuCl+2 Cl- 0.191 +EuCl+2 ClO4- 0.390 +EuCl2+ Cl- 0.129 +EuF+2 Cl- 0.191 +EuF2+ Cl- 0.129 +F- Na+ 0.020 +Fe(OH)+2 Cl- 0.186 +Fe(OH)+2 ClO4- 0.460 +Fe(OH)2+ ClO4- 0.370 +Fe+2 Cl- 0.170 +Fe+2 ClO4- 0.370 +Fe+3 Cl- 0.760 +Fe+3 ClO4- 0.730 +Fe+3 NO3- 0.420 +Fe2(OH)2+4 ClO4- 1.040 +FeCl+ Cl- 0.160 +FeCl+2 Cl- 0.640 +FeCl+2 ClO4- 0.630 +FeCl2+ ClO4- 0.520 +FeF+ ClO4- 0.340 +H(Cit)-2 Na+ -0.040 +H(Edta)-3 Na+ -0.100 +H(Ox)- Na+ -0.070 +H(SeO3)- Na+ 0.020 +H(SeO4)- Na+ 0.000 +H(SO4)- Na+ -0.010 +H+ Cl- 0.120 +H+ ClO4- 0.140 +H+ NO3- 0.070 +H2(Cit)- Na+ -0.050 +H2(Edta)-2 Na+ -0.370 +H2(PO4)- Na+ -0.080 +H2(SiO4)-2 Na+ -0.100 +H3(Edta)- Na+ -0.330 +H3(SiO4)- Na+ -0.080 +H5(Edta)+ Cl- -0.230 +H5(Edta)+ ClO4- -0.230 +H5(Edta)+ NO3- -0.230 +H6(Edta)+2 Cl- -0.200 +H6(Edta)+2 ClO4- -0.200 +H6(Edta)+2 NO3- -0.200 +HCO3- Na+ 0.000 +Hf(NO3)2+2 ClO4- 0.840 +Hf(OH)+3 ClO4- 0.570 +Hf+4 Cl- 0.890 +Hf+4 ClO4- 0.890 +Hf+4 NO3- 0.890 +HfCl+3 ClO4- 0.870 +HfCl2+2 ClO4- 0.840 +HfF+3 ClO4- 0.630 +HfF2+2 ClO4- 0.470 +HfNO3+3 ClO4- 0.910 +Hg(OH)+ ClO4- 0.060 +Hg+2 ClO4- 0.340 +Hg+2 NO3- -0.100 +Hg2+2 ClO4- 0.090 +Hg2+2 NO3- -0.200 +HgCl+ ClO4- 0.190 +HgCl3- Na+ 0.050 +HgCl4-2 Na+ 0.080 +HGlu- Na+ -0.070 +HIsa- Na+ -0.070 +HMoO4- Na+ -0.099 +Ho(CO3)+ Cl- 0.129 +Ho(CO3)+ ClO4- 0.170 +Ho(CO3)2- Na+ -0.140 +Ho(CO3)3-3 Na+ -0.230 +Ho(H2PO4)+2 Cl- 0.191 +Ho(H2PO4)+2 ClO4- 0.390 +Ho(NO3)+2 Cl- 0.191 +Ho(NO3)+2 ClO4- 0.390 +Ho(OH)+2 Cl- -0.040 +Ho(OH)+2 ClO4- 0.390 +Ho(OH)2+ Cl- -0.290 +Ho(OH)2+ ClO4- 0.170 +Ho(SO4)+ Cl- 0.157 +Ho(SO4)+ ClO4- 0.220 +Ho(SO4)2- Na+ -0.050 +Ho+3 Cl- 0.230 +Ho+3 ClO4- 0.490 +HoCl+2 Cl- 0.191 +HoCl+2 ClO4- 0.390 +HoCl2+ Cl- 0.129 +HoF+2 Cl- 0.191 +HoF+2 ClO4- 0.390 +HoF2+ Cl- 0.129 +HoF2+ ClO4- 0.170 +HPO4-2 Na+ -0.150 +I- Na+ 0.080 +IO3- Na+ -0.060 +K+ Cl- 0.000 +K+ NO3- -0.110 +Li+ Cl- 0.100 +Li+ ClO4- 0.150 +Li+ NO3- 0.080 +Mg(Cit)- Na+ 0.030 +Mg(Edta)-2 Na+ -0.010 +Mg(HEdta)- Na+ 0.110 +Mg(Ox)2-2 Na+ -0.150 +Mg+2 Cl- 0.190 +Mg+2 ClO4- 0.330 +Mg+2 NO3- 0.170 +MgUO2(CO3)3-2 Na+ -0.020 +Mn+2 Cl- 0.130 +Mo7O21(OH)3-3 Na+ -1.455 +Mo7O22(OH)2-4 Na+ -1.346 +Mo7O23(OH)-5 Na+ -1.145 +Mo7O24-6 Na+ -1.265 +MoO4-2 Na+ 0.034 +Na+ ClO4- 0.010 +NH4+ Cl- -0.010 +NH4+ ClO4- -0.080 +NH4+ NO3- -0.060 +Ni(Cit)- Na+ 0.220 +Ni(CO3)2-2 Na+ 0.003 +Ni(HCO3)+ Cl- 0.085 +Ni(NO3)+ Cl- 0.060 +Ni(NO3)+ ClO4- 0.440 +Ni(OH)+ Cl- -0.010 +Ni(OH)+ ClO4- 0.140 +Ni(SO4)2-2 Na+ -0.263 +Ni+2 Cl- 0.170 +Ni+2 ClO4- 0.370 +Ni+2 NO3- 0.182 +Ni4(OH)4+4 ClO4- 1.080 +NiCl+ Cl- 0.100 +NiCl+ ClO4- 0.470 +NiF+ Cl- 0.065 +NiF+ ClO4- 0.340 +NiHS+ ClO4- -0.850 +NO3- Na+ -0.040 +Np(CO3)+ Cl- 0.129 +Np(CO3)+ ClO4- 0.170 +Np(CO3)2- Na+ -0.140 +Np(CO3)3-3 Na+ -0.230 +Np(CO3)4-4 Na+ -0.090 +Np(CO3)5-6 Na+ 0.000 +Np(NO3)+3 ClO4- 0.710 +Np(OH)+2 Cl- -0.040 +Np(OH)+2 ClO4- 0.390 +Np(OH)+3 Cl- 0.200 +Np(OH)+3 ClO4- 0.500 +Np(OH)2+ Cl- -0.290 +Np(OH)2+ ClO4- 0.170 +Np(OH)2+2 Cl- 0.100 +Np(OH)3+ Cl- 0.050 +Np(SO4)+ Cl- 0.157 +Np(SO4)+ ClO4- 0.220 +Np(SO4)+2 Cl- 0.232 +Np(SO4)+2 ClO4- 0.480 +Np(SO4)2- Na+ -0.050 +Np+3 Cl- 0.230 +Np+3 ClO4- 0.490 +Np+4 Cl- 0.400 +Np+4 ClO4- 0.840 +NpCl+3 ClO4- 0.810 +NpF+3 ClO4- 0.580 +NpF2+2 Cl- 0.186 +NpF2+2 ClO4- 0.380 +NpF3+ Cl- 0.100 +NpI+3 ClO4- 0.770 +NpO2(Cit)-2 Na+ -0.060 +NpO2(CO3)- Na+ -0.180 +NpO2(CO3)2-2 Na+ -0.020 +NpO2(CO3)2-3 Na+ -0.330 +NpO2(CO3)2OH-4 Na+ -0.400 +NpO2(CO3)3-4 Na+ -0.400 +NpO2(CO3)3-5 Na+ -0.530 +NpO2(Edta)-3 Na+ 0.200 +NpO2(HEdta)-2 Na+ 0.070 +NpO2(HPO4)- Na+ -0.050 +NpO2(HPO4)2-2 Na+ -0.100 +NpO2(NO3)+ Cl- 0.220 +NpO2(NO3)+ ClO4- 0.330 +NpO2(OH)+ Cl- -0.003 +NpO2(OH)+ ClO4- -0.060 +NpO2(OH)2- Na+ -0.010 +NpO2(OH)3- Na+ -0.200 +NpO2(OH)4-2 Na+ -0.120 +NpO2(Ox)- Na+ -0.400 +NpO2(Ox)2-3 Na+ -0.300 +NpO2(SO4)- Na+ 0.070 +NpO2(SO4)2-2 Na+ -0.120 +NpO2+ Cl- 0.090 +NpO2+ ClO4- 0.250 +NpO2+2 Cl- 0.223 +NpO2+2 ClO4- 0.460 +NpO2Cl+ Cl- 0.318 +NpO2Cl+ ClO4- 0.500 +NpO2F+ Cl- 0.197 +NpO2F+ ClO4- 0.290 +OH- Na+ 0.040 +Ox-2 Na+ -0.080 +Pa+4 Cl- 0.300 +PaO(OH)+2 Cl- 0.130 +Pb(OH)3- Na+ 0.020 +Pb(SO4)2-2 Na+ -0.520 +Pb+2 Cl- 0.081 +Pb+2 ClO4- 0.150 +Pb+2 NO3- -0.200 +PbF+ Cl- 0.140 +Pd(OH)3- Na+ 0.110 +Pd(SO4)2-2 Na+ -0.120 +Pd+2 Cl- 0.160 +Pd+2 ClO4- 0.220 +PdBr+ Cl- 0.175 +PdBr3- Na+ 0.000 +PdBr4-2 Na+ 0.100 +PdCl+ Cl- 0.175 +PdCl+ ClO4- 0.250 +PdCl3- Na+ 0.030 +PdCl3(OH)-2 Na+ -0.044 +PdCl4-2 Na+ -0.044 +PO4-3 Na+ -0.250 +Pu(CO3)+ Cl- 0.129 +Pu(CO3)+ ClO4- 0.170 +Pu(CO3)2- Na+ -0.140 +Pu(CO3)3-3 Na+ -0.230 +Pu(CO3)4-4 Na+ -0.090 +Pu(CO3)5-6 Na+ 0.000 +Pu(NO3)+2 Cl- 0.191 +Pu(NO3)+2 ClO4- 0.390 +Pu(NO3)+3 ClO4- 0.590 +Pu(OH)+2 Cl- -0.040 +Pu(OH)+2 ClO4- 0.390 +Pu(OH)+3 Cl- 0.200 +Pu(OH)+3 ClO4- 0.500 +Pu(OH)2+ Cl- -0.290 +Pu(OH)2+ ClO4- 0.170 +Pu(OH)2+2 Cl- 0.100 +Pu(OH)3+ Cl- 0.050 +Pu(SO4)+ Cl- 0.157 +Pu(SO4)+ ClO4- 0.220 +Pu(SO4)+2 Cl- 0.232 +Pu(SO4)+2 ClO4- 0.360 +Pu(SO4)2- Na+ -0.050 +Pu+3 Cl- 0.230 +Pu+3 ClO4- 0.490 +Pu+4 ClO4- 0.820 +PuBr+3 Cl- 0.100 +PuBr+3 ClO4- 0.580 +PuCl+3 Cl- 0.100 +PuCl+3 ClO4- 0.850 +PuF+3 Cl- 0.100 +PuF+3 ClO4- 0.560 +PuF2+2 Cl- 0.177 +PuF2+2 ClO4- 0.360 +PuF3+ Cl- 0.100 +PuI+2 Cl- 0.191 +PuI+2 ClO4- 0.390 +PuI+3 Cl- 0.100 +PuO2(CO3)- Na+ -0.180 +PuO2(CO3)2-2 Na+ -0.700 +PuO2(CO3)3-4 Na+ -0.200 +PuO2(CO3)3-5 Na+ -0.530 +PuO2(OH)+ Cl- -0.003 +PuO2(SO4)- Na+ -0.070 +PuO2(SO4)2-2 Na+ -0.120 +PuO2+ Cl- 0.129 +PuO2+ ClO4- 0.240 +PuO2+2 Cl- 0.223 +PuO2+2 ClO4- 0.460 +PuO2Cl+ Cl- 0.318 +PuO2Cl+ ClO4- 0.500 +PuO2F+ Cl- 0.197 +PuO2F+ ClO4- 0.290 +PuO2F3- Na+ 0.000 +PuO2NO3+ Cl- 0.220 +PuO2NO3+ ClO4- 0.330 +SeO3-2 Na+ -0.080 +SeO4-2 Na+ -0.120 +Si2O2(OH)5- Na+ -0.080 +Si2O3(OH)4-2 Na+ -0.150 +Si3O5(OH)5-3 Na+ -0.250 +Si3O6(OH)3-3 Na+ -0.250 +Si4O8(OH)4-4 Na+ -0.260 +Sm(CO3)+ Cl- 0.129 +Sm(CO3)+ ClO4- 0.170 +Sm(CO3)2- Na+ -0.140 +Sm(CO3)3-3 Na+ -0.230 +Sm(H2PO4)+2 Cl- 0.191 +Sm(H2PO4)+2 ClO4- 0.390 +Sm(NO3)+2 Cl- 0.191 +Sm(NO3)+2 ClO4- 0.390 +Sm(OH)+2 Cl- -0.040 +Sm(OH)+2 ClO4- 0.390 +Sm(OH)2+ Cl- -0.290 +Sm(OH)2+ ClO4- 0.170 +Sm(SO4)+ Cl- 0.157 +Sm(SO4)+ ClO4- 0.220 +Sm(SO4)2- Na+ -0.050 +Sm+3 Cl- 0.230 +Sm+3 ClO4- 0.490 +SmCl+2 Cl- 0.191 +SmCl+2 ClO4- 0.390 +SmF+2 Cl- 0.191 +SmF+2 ClO4- 0.390 +Sn(OH)+ ClO4- -0.070 +Sn(OH)3- Na+ 0.220 +Sn+2 Cl- 0.140 +Sn+2 ClO4- 0.190 +Sn+4 ClO4- 0.700 +Sn3(OH)4+2 ClO4- -0.020 +SnBr+ ClO4- 0.150 +SnBr3- Na+ 0.160 +SnCl+ ClO4- 0.080 +SnCl3- Na+ 0.040 +SnF+ ClO4- 0.140 +SO3-2 Na+ -0.080 +SO4-2 Na+ -0.120 +Tc2O2(OH)2+2 Cl- -0.430 +TcO(OH)3- Na+ -0.080 +Th(CO3)5-6 Na+ -0.300 +Th(H2PO4)+3 ClO4- 0.500 +Th(H2PO4)2+2 ClO4- 0.400 +Th(H3PO4)(H2PO4)+3 ClO4- 0.500 +Th(H3PO4)+4 ClO4- 0.700 +Th(NO3)+3 ClO4- 0.560 +Th(NO3)+3 NO3- 0.560 +Th(NO3)2+2 ClO4- 0.430 +Th(NO3)2+2 NO3- 0.430 +Th(OH)(CO3)4-5 Na+ -0.220 +Th(OH)+3 Cl- 0.190 +Th(OH)+3 ClO4- 0.480 +Th(OH)+3 NO3- 0.200 +Th(OH)2(CO3)2-2 Na+ -0.100 +Th(OH)2+2 Cl- 0.130 +Th(OH)2+2 ClO4- 0.330 +Th(OH)2+2 NO3- 0.100 +Th(OH)3(CO3)- Na+ -0.050 +Th(OH)3+ Cl- 0.060 +Th(OH)3+ ClO4- 0.150 +Th(OH)3+ NO3- 0.050 +Th(OH)4(CO3)-2 Na+ -0.100 +Th(SO4)+2 Cl- 0.140 +Th(SO4)+2 ClO4- 0.300 +Th(SO4)3-2 Na+ -0.091 +Th+4 Cl- 0.250 +Th+4 ClO4- 0.700 +Th+4 NO3- 0.310 +Th2(OH)2+6 Cl- 0.400 +Th2(OH)2+6 ClO4- 1.220 +Th2(OH)2+6 NO3- 0.690 +Th2(OH)3+5 Cl- 0.290 +Th2(OH)3+5 ClO4- 0.910 +Th2(OH)3+5 NO3- 0.690 +Th4(OH)12+4 Cl- 0.250 +Th4(OH)12+4 ClO4- 0.560 +Th4(OH)12+4 NO3- 0.420 +Th4(OH)8+8 Cl- 0.700 +Th4(OH)8+8 ClO4- 1.690 +Th4(OH)8+8 NO3- 1.590 +Th6(OH)14+10 Cl- 0.830 +Th6(OH)14+10 ClO4- 2.200 +Th6(OH)14+10 NO3- 2.900 +Th6(OH)15+9 Cl- 0.720 +Th6(OH)15+9 ClO4- 1.850 +Th6(OH)15+9 NO3- 2.200 +ThCl+3 Cl- 0.620 +ThCl+3 ClO4- 0.620 +ThF+3 ClO4- 0.480 +ThF+3 NO3- 0.250 +ThF2+2 ClO4- 0.300 +ThF2+2 NO3- 0.150 +ThF3+ ClO4- 0.100 +ThF3+ NO3- 0.000 +U(CO3)4-4 Na+ -0.090 +U(CO3)5-6 Na+ -0.300 +U(NO3)+3 ClO4- 0.620 +U(NO3)2+2 Cl- 0.236 +U(NO3)2+2 ClO4- 0.490 +U(OH)+3 Cl- 0.200 +U(OH)+3 ClO4- 0.480 +U(OH)2+2 Cl- 0.100 +U(OH)3+ Cl- 0.050 +U(SO4)+2 Cl- 0.149 +U(SO4)+2 ClO4- 0.300 +U+3 Cl- 0.230 +U+3 ClO4- 0.490 +U+4 Cl- 0.360 +U+4 ClO4- 0.760 +UBr+3 ClO4- 0.520 +UCl+3 Cl- 0.100 +UCl+3 ClO4- 0.500 +UF+3 Cl- 0.100 +UF+3 ClO4- 0.480 +UF2+2 Cl- 0.149 +UF2+2 ClO4- 0.300 +UF3+ Cl- 0.100 +UF3+ ClO4- 0.100 +UI+3 ClO4- 0.550 +UI+3 NO3- 0.560 +UO2(Cit)- Na+ -0.110 +UO2(CO3)2-2 Na+ -0.020 +UO2(CO3)3-4 Na+ -0.010 +UO2(CO3)3-5 Na+ -0.620 +UO2(NO3)+ Cl- 0.220 +UO2(NO3)+ ClO4- 0.330 +UO2(OH)+ Cl- -0.003 +UO2(OH)+ ClO4- -0.060 +UO2(OH)+ NO3- 0.510 +UO2(OH)3- Na+ -0.240 +UO2(OH)4-2 Na+ 0.010 +UO2(Ox)2-2 Na+ -0.180 +UO2(Ox)3-4 Na+ -0.010 +UO2(SO4)2-2 Na+ -0.120 +UO2+ Cl- 0.180 +UO2+ ClO4- 0.260 +UO2+2 Cl- 0.460 +UO2+2 ClO4- 0.460 +UO2+2 NO3- 0.460 +UO2Br+ Cl- 0.169 +UO2Br+ ClO4- 0.240 +UO2Cl+ Cl- 0.220 +UO2Cl+ ClO4- 0.330 +UO2F+ Cl- 0.040 +UO2F+ ClO4- 0.280 +UO2F3- Na+ -0.140 +UO2F4-2 Na+ -0.300 +Zn+2 Cl- 0.163 +Zn+2 ClO4- 0.330 +Zn+2 NO3- 0.160 +Zr(CO3)4-4 Na+ -0.090 +Zr(NO3)2+2 ClO4- 0.840 +Zr(OH)+3 ClO4- 0.570 +Zr(OH)2+2 ClO4- 0.620 +Zr(OH)6-2 Na+ -0.100 +Zr+4 Cl- 0.890 +Zr+4 ClO4- 0.890 +Zr+4 NO3- 0.890 +Zr4(OH)15+ ClO4- 0.090 +ZrCl+3 ClO4- 0.870 +ZrCl2+2 ClO4- 0.840 +ZrF+3 ClO4- 0.630 +ZrF2+2 ClO4- 0.470 +ZrF5- Na+ -0.140 +ZrF6-2 Na+ -0.150 +ZrNO3+3 ClO4- 0.880 SOLUTION_SPECIES -1.000H2O = H2O - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ = H+ - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000e- = e- - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Acetate- = Acetate- - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -486.01 #kJ/mol #82WAG/EVA - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Adipate-2 = Adipate-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ag+ = Ag+ - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: 105.79 #kJ/mol #95SIL/BID - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 = Al+3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -538.4 #kJ/mol #95POK/HEL - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 = Am+3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -616.7 #kJ/mol #95SIL/BID - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000AsO4-3 = AsO4-3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -888.14 #kJ/mol #09RAN/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000B(OH)4- = B(OH)4- - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1345.116 #kJ/mol #99RAR/RAN - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ba+2 = Ba+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -534.8 #kJ/mol #95SIL/BID - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Br- = Br- - log_k 0.000 #95SIL/BID - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -121.41 #kJ/mol #95SIL/BID - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000CO3-2 = CO3-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -675.23 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 = Ca+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -543 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 = Cd+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -75.92 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cit-3 = Cit-3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1519.92 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cl- = Cl- - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -167.08 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cm+3 = Cm+3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -615 #kJ/mol #01KON2 - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cn- = Cn- - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: 150.624 #kJ/mol #92JOH/OEL - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Co+2 = Co+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -57.6 #kJ/mol #98PLY/ZHA1 - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000CrO4-2 = CrO4-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -879 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cs+ = Cs+ - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -258 #kJ/mol #95SIL/BID - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cu+2 = Cu+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: 64.9 #kJ/mol #92GRE/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Edta-4 = Edta-4 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1704.8 #kJ/mol #05HUM/AND - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 = Eu+3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -605.331 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000F- = F- - log_k 0.000 #95SIL/BID - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -335.35 #kJ/mol #95SIL/BID - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 = Fe+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -90 #kJ/mol #98CHI - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H2(PO4)- = H2(PO4)- - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1302.6 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H4(SiO4) = H4(SiO4) - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1461.194 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000HGlu- = HGlu- - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000HIsa- = HIsa- - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Hf+4 = Hf+4 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -628.91 #kJ/mol #99VAS/LYT - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Hg+2 = Hg+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: 170.21 #kJ/mol #92GRE/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ho+3 = Ho+3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -707.042 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000I- = I- - log_k 0.000 #92GRE/FUG - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -56.78 #kJ/mol #92GRE/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000K+ = K+ - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -252.14 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Li+ = Li+ - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Malonate-2 = Malonate-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 = Mg+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -467 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 = Mn+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -220.8 #kJ/mol #95ROB/HEM - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000MoO4-2 = MoO4-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -997 #kJ/mol #74OHA - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NO3- = NO3- - log_k 0.000 #92GRE/FUG - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -206.85 #kJ/mol #92GRE/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Na+ = Na+ - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -240.34 #kJ/mol #92GRE/FUG (89COX/WAG) - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Nb(OH)6- = Nb(OH)6- - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1925.665 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 = Ni+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -55.012 #kJ/mol #05GAM/BUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+2 = NpO2+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -860.733 #kJ/mol #01LEM/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Nta-3 = Nta-3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ox-2 = Ox-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -830.66 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pa+4 = Pa+4 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -620 #kJ/mol #85BAR/PAR - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pb+2 = Pb+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: 0.92 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pd+2 = Pd+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: 189.883 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Phthalat-2 = Phthalat-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 = PuO2+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -822.036 #kJ/mol #01LEM/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pyrophos-4 = Pyrophos-4 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ra+2 = Ra+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -528.025 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Rb+ = Rb+ - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -251.12 #kJ/mol #92GRE/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000SO4-2 = SO4-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -909.34 #kJ/mol #89COX/WAG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sb(OH)3 = Sb(OH)3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -733.892 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Scn- = Scn- - log_k 0.000 #92GRE/FUG - delta_h 0.000 #kJ/mol - # Enthalpy of formation: 76.4 #kJ/mol #92GRE/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000SeO4-2 = SeO4-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -603.5 #kJ/mol #05OLI/NOL - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 = Sm+3 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -691.199 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 = Sn+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -9.617 #kJ/mol #12GAM/GAJ - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 = Sr+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -550.9 #kJ/mol #84BUS/PLUS - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Suberate-2 = Suberate-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Succinat-2 = Succinat-2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 = TcO(OH)2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -749.32 #kJ/mol - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 = Th+4 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -768.7 #kJ/mol #09RAN/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 = UO2+2 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1019 #kJ/mol #92GRE/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Zn+2 = Zn+2 - log_k 0.000 #92GRE/FUG - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -153.39 #kJ/mol #92GRE/FUG - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Zr+4 = Zr+4 - log_k 0.000 - delta_h 0.000 #kJ/mol - # Enthalpy of formation: -608.5 #kJ/mol #05BRO/CUR - -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - - -1.000Am+3 + 0.500H2O - 1.000H+ - 0.250O2 = Am+2 - log_k -60.375 #95SIL/BID - delta_h 401.958 #kJ/mol - # Enthalpy of formation: -354.624 #kJ/mol - -analytic 1.00448E+1 0E+0 -2.09957E+4 0E+0 0E+0 - -1.000Am+3 - 0.500H2O + 1.000H+ + 0.250O2 = Am+4 - log_k -22.715 - delta_h 70.819 #kJ/mol - # Enthalpy of formation: -406 #kJ/mol #95SIL/BID - -analytic -1.03081E+1 0E+0 -3.6991E+3 0E+0 0E+0 - -- 2.000H+ + 1.000Am+3 + 1.000H2O + 0.500O2 = AmO2+ - log_k -15.380 - delta_h 104.337 #kJ/mol #95SIL/BID - # Enthalpy of formation: -804.26 #kJ/mol - -analytic 2.89903E+0 0E+0 -5.44989E+3 0E+0 0E+0 - -- 1.000H+ + 1.000Am+3 + 0.500H2O + 0.750O2 = AmO2+2 - log_k -20.865 - delta_h 117.956 #kJ/mol #95SIL/BID - # Enthalpy of formation: -650.76 #kJ/mol - -analytic -2.00114E-1 0E+0 -6.16124E+3 0E+0 0E+0 - -2.000H+ + 1.000CO3-2 + 1.000H2O - 2.000O2 = CH4 - log_k -133.770 - delta_h 848.886 #kJ/mol - # Enthalpy of formation: -87.906 #kJ/mol #01SCH/SHO - -analytic 1.49482E+1 0E+0 -4.43403E+4 0E+0 0E+0 - -4.000H+ + 1.000CrO4-2 - 2.000H2O - 1.000O2 = Cr+2 - log_k -18.760 #04CHI - delta_h 137.587 #kJ/mol - # Enthalpy of formation: -157.62 #kJ/mol - -analytic 5.34417E+0 0E+0 -7.18666E+3 0E+0 0E+0 - -5.000H+ + 1.000CrO4-2 - 2.500H2O - 0.750O2 = Cr+3 - log_k 9.135 - delta_h -85.176 #kJ/mol - # Enthalpy of formation: -240.5 #kJ/mol #04CHI - -analytic -5.78709E+0 0E+0 4.44902E+3 0E+0 0E+0 - -1.000Cu+2 + 0.500H2O - 1.000H+ - 0.250O2 = Cu+ - log_k -18.855 - delta_h 146.652 #kJ/mol - # Enthalpy of formation: 71.67 #kJ/mol #82WAG/EVA - -analytic 6.8372E+0 0E+0 -7.66013E+3 0E+0 0E+0 - -1.000Eu+3 + 0.500H2O - 1.000H+ - 0.250O2 = Eu+2 - log_k -27.465 - delta_h 217.611 #kJ/mol - # Enthalpy of formation: -527.602 #kJ/mol #92JOH/OEL - -analytic 1.06587E+1 0E+0 -1.13666E+4 0E+0 0E+0 - -1.000Fe+2 - 0.500H2O + 1.000H+ + 0.250O2 = Fe+3 - log_k 8.485 - delta_h -98.882 #kJ/mol - # Enthalpy of formation: -49 #kJ/mol #98CHI - -analytic -8.83827E+0 0E+0 5.16493E+3 0E+0 0E+0 - -1.000H2O - 0.500O2 = H2 - log_k -46.070 - delta_h 275.563 #kJ/mol - # Enthalpy of formation: -4.2 #kJ/mol #82WAG/EVA - -analytic 2.20649E+0 0E+0 -1.43936E+4 0E+0 0E+0 - -3.000H+ + 1.000AsO4-3 - 0.500O2 = H3(AsO3) - log_k -2.960 - delta_h 139.873 #kJ/mol - # Enthalpy of formation: -742.2 #kJ/mol #09RAN/FUG - -analytic 2.15447E+1 0E+0 -7.30606E+3 0E+0 0E+0 - -1.000H+ + 1.000SO4-2 - 2.000O2 = HS- - log_k -138.270 - delta_h 868.772 #kJ/mol - # Enthalpy of formation: -16.3 #kJ/mol #89COX/WAG - -analytic 1.39321E+1 0E+0 -4.53791E+4 0E+0 0E+0 - -1.000H+ + 1.000SeO4-2 - 2.000O2 = HSe- - log_k -90.390 - delta_h 593.532 #kJ/mol - # Enthalpy of formation: 14.3 #kJ/mol #05OLI/NOL - -analytic 1.35922E+1 0E+0 -3.10023E+4 0E+0 0E+0 - -2.000Hg+2 + 1.000H2O - 2.000H+ - 0.500O2 = Hg2+2 - log_k -12.200 - delta_h 106.213 #kJ/mol - # Enthalpy of formation: 166.87 #kJ/mol #01LEM/FUG - -analytic 6.40769E+0 0E+0 -5.54788E+3 0E+0 0E+0 - -1.000I- + 1.500O2 = IO3- - log_k 17.410 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -219.7 #kJ/mol #92GRE/FUG - -analytic 1.741E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000NO3- + 1.000H2O - 2.000O2 = NH3 - log_k -61.960 #95SIL/BID - delta_h 387.242 #kJ/mol - # Enthalpy of formation: -81.17 #kJ/mol #95SIL/BID - -analytic 5.88179E+0 0E+0 -2.0227E+4 0E+0 0E+0 - -1.000Np+4 + 0.500H2O - 1.000H+ - 0.250O2 = Np+3 - log_k -17.795 - delta_h 168.720 #kJ/mol - # Enthalpy of formation: -527.184 #kJ/mol #01LEM/FUG - -analytic 1.17633E+1 0E+0 -8.81282E+3 0E+0 0E+0 - -1.000NpO2+ + 3.000H+ - 1.500H2O - 0.250O2 = Np+4 - log_k -11.285 - delta_h -9.620 #kJ/mol - # Enthalpy of formation: -556.022 #kJ/mol #01LEM/FUG - -analytic -1.29703E+1 0E+0 5.02461E+2 0E+0 0E+0 - -1.000NpO2+2 + 0.500H2O - 1.000H+ - 0.250O2 = NpO2+ - log_k -1.905 - delta_h 22.434 #kJ/mol - # Enthalpy of formation: -978.181 #kJ/mol #01LEM/FUG - -analytic 2.02517E+0 0E+0 -1.17178E+3 0E+0 0E+0 - -- 4.000H+ - 4.000e- + 2.000H2O = O2 - log_k -85.980 #89COX/WAG - delta_h 559.526 #kJ/mol - # Enthalpy of formation: -12.134 #kJ/mol #01SCH/SHO - -analytic 1.20446E+1 0E+0 -2.9226E+4 0E+0 0E+0 - -- 3.000H+ + 1.000Pa+4 + 1.500H2O + 0.250O2 = PaO2+ - log_k 25.715 #85BAR/PAR, 76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.5715E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 0.500H2O - 1.000H+ - 0.250O2 = Pu+3 - log_k -3.805 - delta_h 87.987 #kJ/mol - # Enthalpy of formation: -591.79 #kJ/mol #01LEM/FUG - -analytic 1.16096E+1 0E+0 -4.59585E+3 0E+0 0E+0 - -1.000PuO2+ + 3.000H+ - 1.500H2O - 0.250O2 = Pu+4 - log_k -4.045 - delta_h -61.547 #kJ/mol - # Enthalpy of formation: -539.895 #kJ/mol #01LEM/FUG - -analytic -1.48275E+1 0E+0 3.21479E+3 0E+0 0E+0 - -1.000PuO2+2 + 0.500H2O - 1.000H+ - 0.250O2 = PuO2+ - log_k -5.675 - delta_h 51.791 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -910.127 #kJ/mol - -analytic 3.39829E+0 0E+0 -2.7052E+3 0E+0 0E+0 - -2.000H+ + 2.000SO4-2 - 1.000H2O - 2.000O2 = S2O3-2 - log_k -133.400 - delta_h 856.296 #kJ/mol - # Enthalpy of formation: -652.286 #kJ/mol #04CHI - -analytic 1.66164E+1 0E+0 -4.47274E+4 0E+0 0E+0 - -2.000H+ + 2.000SO4-2 - 1.000H2O - 1.500O2 = S2O4-2 - log_k -118.270 - delta_h 761.149 #kJ/mol - # Enthalpy of formation: -735.5 #kJ/mol #82WAG/EVA - -analytic 1.50774E+1 0E+0 -3.97575E+4 0E+0 0E+0 - -1.000SO4-2 - 0.500O2 = SO3-2 - log_k -46.610 - delta_h 272.213 #kJ/mol - # Enthalpy of formation: -631.06 #kJ/mol #85GOL/PAR - -analytic 1.0796E+0 0E+0 -1.42187E+4 0E+0 0E+0 - -1.000Sb(OH)3 + 1.000H2O + 0.500O2 = Sb(OH)5 - log_k 21.250 #99LOT/OCH recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.125E+1 0E+0 0E+0 0E+0 0E+0 - -1.000SeO4-2 - 0.500O2 = SeO3-2 - log_k -14.950 #05OLI/NOL - delta_h 90.273 #kJ/mol - # Enthalpy of formation: -507.16 #kJ/mol #05OLI/NOL - -analytic 8.65128E-1 0E+0 -4.71528E+3 0E+0 0E+0 - -1.000Sn+2 - 1.000H2O + 2.000H+ + 0.500O2 = Sn+4 - log_k 30.010 #12GAM/GAJ; E°=0.384V for Sn2+/Sn4+ reaction ( I=0) - delta_h -301.645 #kJ/mol - # Enthalpy of formation: -31.499 #kJ/mol - -analytic -2.28359E+1 0E+0 1.5756E+4 0E+0 0E+0 - -1.000TcO(OH)2 - 1.000H+ - 0.500H2O + 0.750O2 = TcO4- - log_k 35.055 - delta_h -113.895 #kJ/mol - # Enthalpy of formation: -729.4 #kJ/mol #99RAR/RAN - -analytic 1.51016E+1 0E+0 5.94912E+3 0E+0 0E+0 - -1.000TcO4- + 0.500H2O - 1.000H+ - 0.250O2 = TcO4-2 - log_k -32.295 #99RAR/RAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.2295E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 0.500H2O - 1.000H+ - 0.250O2 = U+3 - log_k -30.845 #92GRE/FUG - delta_h 241.982 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -489.1 #kJ/mol - -analytic 1.15483E+1 0E+0 -1.26396E+4 0E+0 0E+0 - -1.000UO2+2 + 2.000H+ - 1.000H2O - 0.500O2 = U+4 - log_k -33.950 #92GRE/FUG - delta_h 135.903 #kJ/mol - # Enthalpy of formation: -591.2 #kJ/mol #92GRE/FUG - -analytic -1.01409E+1 0E+0 -7.0987E+3 0E+0 0E+0 - -1.000UO2+2 + 0.500H2O - 1.000H+ - 0.250O2 = UO2+ - log_k -20.015 - delta_h 133.755 #kJ/mol - # Enthalpy of formation: -1025.127 #kJ/mol - -analytic 3.41775E+0 0E+0 -6.98647E+3 0E+0 0E+0 - - -2.000NpO2+2 - 2.000H+ + 2.000H2O = (NpO2)2(OH)2+2 - log_k -6.270 #01LEM/FUG - delta_h 44.996 #kJ/mol - # Enthalpy of formation: -2248.13 #kJ/mol - -analytic 1.61295E+0 0E+0 -2.3503E+3 0E+0 0E+0 - -2.000NpO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (NpO2)2CO3(OH)3- - log_k -2.870 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.87E+0 0E+0 0E+0 0E+0 0E+0 - -3.000NpO2+2 + 6.000CO3-2 = (NpO2)3(CO3)6-6 - log_k 49.840 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.984E+1 0E+0 0E+0 0E+0 0E+0 - -3.000NpO2+2 - 5.000H+ + 5.000H2O = (NpO2)3(OH)5+ - log_k -17.120 #01LEM/FUG - delta_h 110.667 #kJ/mol - # Enthalpy of formation: -3900.682 #kJ/mol - -analytic 2.268E+0 0E+0 -5.78053E+3 0E+0 0E+0 - -2.000PuO2+2 - 2.000H+ + 2.000H2O = (PuO2)2(OH)2+2 - log_k -7.500 #01LEM/FUG - delta_h 43.583 #kJ/mol - # Enthalpy of formation: -2172.149 #kJ/mol - -analytic 1.35403E-1 0E+0 -2.2765E+3 0E+0 0E+0 - -3.000PuO2+2 + 6.000CO3-2 = (PuO2)3(CO3)6-6 - log_k 46.020 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.602E+1 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 - 1.000H+ + 1.000H2O = (TcO)(OH)3- - log_k -10.800 - delta_h 39.030 #kJ/mol #97NGU/LAN - # Enthalpy of formation: -996.12 #kJ/mol - -analytic -3.96225E+0 0E+0 -2.03868E+3 0E+0 0E+0 - -2.000Th+4 - 2.000H+ + 2.000Edta-4 + 2.000H2O = (Th(OH)(Edta))2-2 - log_k 43.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.37E+1 0E+0 0E+0 0E+0 0E+0 - -2.000U+4 - 2.000H+ + 2.000Edta-4 + 2.000H2O = (U(OH)(Edta))2-2 - log_k 51.700 #63ERM/KRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.17E+1 0E+0 0E+0 0E+0 0E+0 - -11.000UO2+2 - 12.000H+ + 6.000CO3-2 + 12.000H2O = (UO2)11(CO3)6(OH)12-2 - log_k 36.430 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.643E+1 0E+0 0E+0 0E+0 0E+0 - -2.000UO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (UO2)2(CO3)(OH)3- - log_k -0.860 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -8.6E-1 0E+0 0E+0 0E+0 0E+0 - -2.000UO2+2 + 2.000Cit-3 = (UO2)2(Cit)2-2 - log_k 21.300 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.13E+1 0E+0 0E+0 0E+0 0E+0 - -2.000UO2+2 + 1.000Edta-4 = (UO2)2(Edta) - log_k 20.600 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0 - -2.000UO2+2 + 1.000NpO2+2 + 6.000CO3-2 = (UO2)2(NpO2)(CO3)6-6 - log_k 53.590 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.359E+1 0E+0 0E+0 0E+0 0E+0 - -2.000UO2+2 - 1.000H+ + 1.000H2O = (UO2)2(OH)+3 - log_k -2.700 #92GRE/FUG - delta_h 14.354 #kJ/mol - # Enthalpy of formation: -2309.476 #kJ/mol - -analytic -1.85291E-1 0E+0 -7.49761E+2 0E+0 0E+0 - -2.000UO2+2 - 2.000H+ + 2.000H2O = (UO2)2(OH)2+2 - log_k -5.620 #92GRE/FUG - delta_h 37.595 #kJ/mol - # Enthalpy of formation: -2572.065 #kJ/mol - -analytic 9.66352E-1 0E+0 -1.96372E+3 0E+0 0E+0 - -3.000UO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (UO2)3(CO3)(OH)3+ - log_k 0.660 #92GRE/FUG - delta_h 81.159 #kJ/mol - # Enthalpy of formation: -4361.23 #kJ/mol - -analytic 1.48784E+1 0E+0 -4.23922E+3 0E+0 0E+0 - -3.000UO2+2 + 6.000CO3-2 = (UO2)3(CO3)6-6 - log_k 54.000 #92GRE/FUG - delta_h -62.700 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -7171.08 #kJ/mol - -analytic 4.30154E+1 0E+0 3.27504E+3 0E+0 0E+0 - -3.000UO2+2 - 4.000H+ + 4.000H2O = (UO2)3(OH)4+2 - log_k -11.900 #92GRE/FUG - delta_h 84.264 #kJ/mol - # Enthalpy of formation: -4251.906 #kJ/mol - -analytic 2.8624E+0 0E+0 -4.40141E+3 0E+0 0E+0 - -3.000UO2+2 - 5.000H+ + 5.000H2O = (UO2)3(OH)5+ - log_k -15.550 #92GRE/FUG - delta_h 97.063 #kJ/mol - # Enthalpy of formation: -4389.086 #kJ/mol - -analytic 1.45468E+0 0E+0 -5.06995E+3 0E+0 0E+0 - -3.000UO2+2 - 7.000H+ + 7.000H2O = (UO2)3(OH)7- - log_k -32.200 #92SAN/BRU - delta_h 229.868 #kJ/mol - # Enthalpy of formation: -4827.942 #kJ/mol - -analytic 8.07109E+0 0E+0 -1.20068E+4 0E+0 0E+0 - -4.000UO2+2 - 7.000H+ + 7.000H2O = (UO2)4(OH)7+ - log_k -21.900 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.19E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ag+ + 2.000CO3-2 = Ag(CO3)2-3 - log_k 2.160 #97SVE/SHO - delta_h -28.044 #kJ/mol - # Enthalpy of formation: -1272.714 #kJ/mol - -analytic -2.75309E+0 0E+0 1.46484E+3 0E+0 0E+0 - -1.000Ag+ + 1.000HS- = Ag(HS) - log_k 14.050 #74NAU/RYZ in 91BAL/NOR - delta_h -78.826 #kJ/mol - # Enthalpy of formation: 10.664 #kJ/mol - -analytic 2.40298E-1 0E+0 4.11736E+3 0E+0 0E+0 - -1.000Ag+ + 2.000HS- = Ag(HS)2- - log_k 18.450 #74NAU/RYZ in 91BAL/NOR - delta_h -105.805 #kJ/mol - # Enthalpy of formation: -32.615 #kJ/mol - -analytic -8.62131E-2 0E+0 5.52657E+3 0E+0 0E+0 - -1.000Ag+ - 1.000H+ + 1.000H2O = Ag(OH) - log_k -12.000 #76BAE/MES - delta_h 47.178 #kJ/mol - # Enthalpy of formation: -132.862 #kJ/mol - -analytic -3.73478E+0 0E+0 -2.46427E+3 0E+0 0E+0 - -1.000Ag+ - 2.000H+ + 2.000H2O = Ag(OH)2- - log_k -24.000 #76BAE/MES - delta_h 111.634 #kJ/mol - # Enthalpy of formation: -354.236 #kJ/mol - -analytic -4.44259E+0 0E+0 -5.83104E+3 0E+0 0E+0 - -1.000Ag+ + 1.000S2O3-2 = Ag(S2O3)- - log_k 9.230 #74BEL/MAR in 82HÖG - delta_h -58.994 #kJ/mol #74BEL/MAR in 82HÖG - # Enthalpy of formation: -601.724 #kJ/mol - -analytic -1.10529E+0 0E+0 3.08147E+3 0E+0 0E+0 - -1.000Ag+ + 2.000S2O3-2 = Ag(S2O3)2-3 - log_k 13.640 #72POU/RIG in 82HÖG - delta_h -94.450 #kJ/mol - # Enthalpy of formation: -1285.7 #kJ/mol #82WAG/EVA - -analytic -2.90691E+0 0E+0 4.93346E+3 0E+0 0E+0 - -1.000Ag+ + 1.000SO3-2 = Ag(SO3)- - log_k 5.210 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.21E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ag+ + 1.000SO4-2 = Ag(SO4)- - log_k 1.380 - delta_h 4.646 #kJ/mol - # Enthalpy of formation: -798.904 #kJ/mol - -analytic 2.19394E+0 0E+0 -2.42677E+2 0E+0 0E+0 - -1.000Ag+ + 3.000H+ + 3.000Cn- + 3.000HSe- - 3.000H2O + 1.500O2 = Ag(SeCn)3-2 - log_k 181.900 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.819E+2 0E+0 0E+0 0E+0 0E+0 - -1.000Ag+ + 1.000SeO3-2 = Ag(SeO3)- - log_k 3.200 #Data from 68MEH and 69MEH/GUB in 05OLI/NOL corrected to I=0 by DH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ag+ + 1.000Br- = AgBr - log_k 4.240 #91BAL/NOR, 68WAG - delta_h -23.129 #kJ/mol - # Enthalpy of formation: -38.749 #kJ/mol - -analytic 1.87979E-1 0E+0 1.20811E+3 0E+0 0E+0 - -1.000Ag+ + 2.000Br- = AgBr2- - log_k 7.280 #91BAL/NOR, 68WAG - delta_h -45.296 #kJ/mol - # Enthalpy of formation: -182.326 #kJ/mol - -analytic -6.55507E-1 0E+0 2.36597E+3 0E+0 0E+0 - -1.000Ag+ + 3.000Br- = AgBr3-2 - log_k 8.710 #91BAL/NOR, 68WAG - delta_h -66.741 #kJ/mol - # Enthalpy of formation: -325.181 #kJ/mol - -analytic -2.9825E+0 0E+0 3.48612E+3 0E+0 0E+0 - -1.000Ag+ + 1.000CO3-2 = AgCO3- - log_k 2.690 #97SVE/SHO - delta_h -22.832 #kJ/mol - # Enthalpy of formation: -592.272 #kJ/mol - -analytic -1.30999E+0 0E+0 1.1926E+3 0E+0 0E+0 - -1.000Ag+ + 1.000Cl- = AgCl - log_k 3.270 #91BAL/NOR - delta_h -17.099 #kJ/mol - # Enthalpy of formation: -78.389 #kJ/mol - -analytic 2.74388E-1 0E+0 8.93142E+2 0E+0 0E+0 - -1.000Ag+ + 2.000Cl- = AgCl2- - log_k 5.270 #91BAL/NOR - delta_h -28.752 #kJ/mol - # Enthalpy of formation: -257.122 #kJ/mol - -analytic 2.32873E-1 0E+0 1.50182E+3 0E+0 0E+0 - -1.000Ag+ + 3.000Cl- = AgCl3-2 - log_k 5.290 #91BAL/NOR - delta_h -29.163 #kJ/mol - # Enthalpy of formation: -424.613 #kJ/mol - -analytic 1.80869E-1 0E+0 1.52329E+3 0E+0 0E+0 - -1.000Ag+ + 4.000Cl- = AgCl4-3 - log_k 5.510 #91BAL/NOR - delta_h -26.094 #kJ/mol - # Enthalpy of formation: -588.624 #kJ/mol - -analytic 9.38534E-1 0E+0 1.36298E+3 0E+0 0E+0 - -1.000Ag+ + 1.000I- = AgI - log_k 6.580 #76SMI/MAR - delta_h -36.962 #kJ/mol - # Enthalpy of formation: 12.048 #kJ/mol - -analytic 1.04545E-1 0E+0 1.93066E+3 0E+0 0E+0 - -1.000Ag+ + 2.000I- = AgI2- - log_k 11.700 #76SMI/MAR - delta_h -76.578 #kJ/mol - # Enthalpy of formation: -84.348 #kJ/mol - -analytic -1.71587E+0 0E+0 3.99994E+3 0E+0 0E+0 - -1.000Ag+ + 3.000I- = AgI3-2 - log_k 13.280 - delta_h -114.911 #kJ/mol - # Enthalpy of formation: -179.461 #kJ/mol - -analytic -6.85151E+0 0E+0 6.00221E+3 0E+0 0E+0 - -1.000Ag+ + 1.000NO3- = AgNO3 - log_k -0.290 #91BAL/NOR, 68WAG - delta_h -0.740 #kJ/mol - # Enthalpy of formation: -101.8 #kJ/mol #82WAG/EVA - -analytic -4.19642E-1 0E+0 3.86528E+1 0E+0 0E+0 - -1.000Al+3 + 1.000Cit-3 = Al(Cit) - log_k 9.900 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 - 1.000H+ + 2.000Cit-3 + 1.000H2O = Al(Cit)2(OH)-4 - log_k 10.190 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.019E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 2.000Cit-3 = Al(Cit)2-3 - log_k 14.130 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.413E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 1.000Edta-4 = Al(Edta)- - log_k 19.080 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.908E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 1.000H+ + 1.000Cit-3 = Al(HCit)+ - log_k 12.900 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 1.000H+ + 1.000Edta-4 = Al(HEdta) - log_k 21.820 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.182E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 1.000H+ + 1.000Nta-3 = Al(HNta)+ - log_k 15.130 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.513E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 1.000H+ + 1.000Ox-2 = Al(HOx)+2 - log_k 7.500 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 1.000IO3- = Al(IO3)+2 - log_k 2.460 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.46E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 2.000IO3- = Al(IO3)2+ - log_k 4.300 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 1.000Nta-3 = Al(Nta) - log_k 13.230 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.323E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Al(Nta)(OH)2-2 - log_k -0.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 2.000Nta-3 = Al(Nta)2-3 - log_k 20.800 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.08E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Al(OH)(Cit)- - log_k 8.100 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Al(OH)(Edta)-2 - log_k 13.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Al(OH)(Nta)- - log_k 6.790 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 - 1.000H+ + 1.000H2O = Al(OH)+2 - log_k -4.950 #95POK/HEL - delta_h 49.760 #kJ/mol - # Enthalpy of formation: -774.47 #kJ/mol - -analytic 3.76756E+0 0E+0 -2.59914E+3 0E+0 0E+0 - -1.000Al+3 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Al(OH)2(Edta)-3 - log_k 2.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 - 2.000H+ + 2.000H2O = Al(OH)2+ - log_k -10.580 - delta_h 98.264 #kJ/mol - # Enthalpy of formation: -1011.796 #kJ/mol #95POK/HEL - -analytic 6.63509E+0 0E+0 -5.13268E+3 0E+0 0E+0 - -1.000Al+3 - 2.000H+ + 1.000F- + 2.000H2O = Al(OH)2F - log_k -4.210 - delta_h 118.636 #kJ/mol - # Enthalpy of formation: -1326.774 #kJ/mol #01TAG/SCH - -analytic 1.65741E+1 0E+0 -6.19678E+3 0E+0 0E+0 - -1.000Al+3 - 2.000H+ + 2.000F- + 2.000H2O = Al(OH)2F2- - log_k -1.990 - delta_h 134.839 #kJ/mol - # Enthalpy of formation: -1645.921 #kJ/mol #01TAG/SCH - -analytic 2.16327E+1 0E+0 -7.04312E+3 0E+0 0E+0 - -1.000Al+3 - 3.000H+ + 3.000H2O = Al(OH)3 - log_k -16.420 - delta_h 144.686 #kJ/mol - # Enthalpy of formation: -1251.204 #kJ/mol #95POK/HEL - -analytic 8.92786E+0 0E+0 -7.55747E+3 0E+0 0E+0 - -1.000Al+3 - 4.000H+ + 4.000H2O = Al(OH)4- - log_k -22.870 - delta_h 180.881 #kJ/mol - # Enthalpy of formation: -1500.839 #kJ/mol #95POK/HEL - -analytic 8.81894E+0 0E+0 -9.44806E+3 0E+0 0E+0 - -1.000Al+3 + 1.000Ox-2 = Al(Ox)+ - log_k 9.400 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 2.000Ox-2 = Al(Ox)2- - log_k 15.390 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.539E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 3.000Ox-2 = Al(Ox)3-3 - log_k 18.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 1.000SO4-2 = Al(SO4)+ - log_k 3.170 #01TAG/SCH - delta_h 18.870 #kJ/mol - # Enthalpy of formation: -1428.87 #kJ/mol - -analytic 6.47588E+0 0E+0 -9.85647E+2 0E+0 0E+0 - -2.000Al+3 - 2.000H+ + 4.000Ox-2 + 2.000H2O = Al2(Ox)4(OH)2-4 - log_k -6.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6E+0 0E+0 0E+0 0E+0 0E+0 - -3.000Al+3 - 4.000H+ + 3.000Cit-3 + 4.000H2O = Al3(Cit)3(OH)4-4 - log_k 20.600 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0 - -3.000Al+3 - 3.000H+ + 3.000Ox-2 + 3.000H2O = Al3(Ox)3(OH)3 - log_k 16.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0 - -4.000Al+3 - 4.000H+ + 4.000Ox-2 + 4.000H2O = Al4(Ox)4(OH)4 - log_k 21.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.1E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Al+3 + 1.000F- = AlF+2 - log_k 6.980 #01TAG/SCH - delta_h -0.346 #kJ/mol - # Enthalpy of formation: -874.096 #kJ/mol - -analytic 6.91938E+0 0E+0 1.80728E+1 0E+0 0E+0 - -1.000Al+3 + 2.000F- = AlF2+ - log_k 12.500 #01TAG/SCH - delta_h 0.420 #kJ/mol - # Enthalpy of formation: -1208.68 #kJ/mol - -analytic 1.25736E+1 0E+0 -2.19381E+1 0E+0 0E+0 - -1.000Al+3 + 3.000F- = AlF3 - log_k 16.550 #01TAG/SCH - delta_h 0.615 #kJ/mol - # Enthalpy of formation: -1543.835 #kJ/mol - -analytic 1.66577E+1 0E+0 -3.21236E+1 0E+0 0E+0 - -1.000Al+3 + 4.000F- = AlF4- - log_k 18.930 #01TAG/SCH - delta_h 0.823 #kJ/mol - # Enthalpy of formation: -1878.977 #kJ/mol - -analytic 1.90742E+1 0E+0 -4.29882E+1 0E+0 0E+0 - -1.000Al+3 - 1.000H+ + 1.000H4(SiO4) = AlH3SiO4+2 - log_k -2.380 #01TAG/SCH - delta_h 77.389 #kJ/mol - # Enthalpy of formation: -1922.205 #kJ/mol - -analytic 1.1178E+1 0E+0 -4.0423E+3 0E+0 0E+0 - -1.000Al+3 - 1.000H+ + 2.000F- + 1.000H2O = AlOHF2 - log_k 0.210 - delta_h 139.337 #kJ/mol - # Enthalpy of formation: -1355.593 #kJ/mol #01TAG/SCH - -analytic 2.46208E+1 0E+0 -7.27807E+3 0E+0 0E+0 - -1.000Am+3 + 1.000Acetate- = Am(Acetate)+2 - log_k 2.940 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.94E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 2.000Acetate- = Am(Acetate)2+ - log_k 5.070 #69MOS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.07E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 3.000Acetate- = Am(Acetate)3 - log_k 6.540 #69MOS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.54E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 1.000CO3-2 = Am(CO3)+ - log_k 7.900 #recalculated from 03GUI/FAN - delta_h 158.156 #kJ/mol - # Enthalpy of formation: -1133.774 #kJ/mol - -analytic 3.56077E+1 0E+0 -8.26105E+3 0E+0 0E+0 - -1.000Am+3 + 2.000CO3-2 = Am(CO3)2- - log_k 12.600 #recalculated from 03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 3.000CO3-2 = Am(CO3)3-3 - log_k 14.600 #Recalculated from 03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 5.000CO3-2 - 0.500H2O + 1.000H+ + 0.250O2 = Am(CO3)5-6 - log_k 16.395 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.6395E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 1.000Cit-3 = Am(Cit) - log_k 8.550 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.55E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 2.000Cit-3 = Am(Cit)2-3 - log_k 13.900 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 1.000Edta-4 = Am(Edta)- - log_k 19.670 #05HUM/AND - delta_h -10.600 #kJ/mol - # Enthalpy of formation: -2332.1 #kJ/mol - -analytic 1.7813E+1 0E+0 5.53676E+2 0E+0 0E+0 - -1.000Am+3 + 1.000H2(PO4)- = Am(H2PO4)+2 - log_k 3.000 #95SIL/BID - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Am+3 + 1.000CO3-2 = Am(HCO3)+2 - log_k 13.430 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.343E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Am+3 + 1.000Cit-3 = Am(HCit)+ - log_k 12.860 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.286E+1 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000Am+3 + 2.000Cit-3 = Am(HCit)2- - log_k 23.520 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.352E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Am+3 + 1.000Edta-4 = Am(HEdta) - log_k 21.840 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.184E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Am+3 + 1.000H2(PO4)- = Am(HPO4)+ - log_k -1.740 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.74E+0 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 1.000Am+3 + 2.000H2(PO4)- = Am(HPO4)2- - log_k -5.310 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.31E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 1.000NO3- = Am(NO3)+2 - log_k 1.330 #95SIL/BID - delta_h 1.800 #kJ/mol #09SKE/PAN - # Enthalpy of formation: -821.75 #kJ/mol - -analytic 1.64535E+0 0E+0 -9.40204E+1 0E+0 0E+0 - -1.000Am+3 + 1.000Nta-3 = Am(Nta) - log_k 13.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 2.000Nta-3 = Am(Nta)2-3 - log_k 22.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.2E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Am+3 + 1.000H2O = Am(OH)+2 - log_k -7.200 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE - delta_h 78.411 #kJ/mol - # Enthalpy of formation: -824.119 #kJ/mol - -analytic 6.537E+0 0E+0 -4.09569E+3 0E+0 0E+0 - -- 2.000H+ + 1.000Am+3 + 2.000H2O = Am(OH)2+ - log_k -15.100 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE - delta_h 143.704 #kJ/mol - # Enthalpy of formation: -1044.656 #kJ/mol - -analytic 1.00758E+1 0E+0 -7.50617E+3 0E+0 0E+0 - -- 3.000H+ + 1.000Am+3 + 3.000H2O = Am(OH)3 - log_k -26.200 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE - delta_h 230.125 #kJ/mol - # Enthalpy of formation: -1244.065 #kJ/mol - -analytic 1.41161E+1 0E+0 -1.20202E+4 0E+0 0E+0 - -- 3.000H+ + 1.000Am+3 + 1.000HGlu- + 3.000H2O = Am(OH)3(HGlu)- - log_k -19.700 #05TIT/WIE - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.97E+1 0E+0 0E+0 0E+0 0E+0 - -- 3.000H+ + 1.000Am+3 + 1.000HIsa- + 3.000H2O = Am(OH)3(HIsa)- - log_k -21.500 #05TIT/WIE - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.15E+1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 1.000Am+3 + 4.000H2O = Am(OH)4- - log_k -40.700 #07NEC/ALT2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.07E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 1.000Ox-2 = Am(Ox)+ - log_k 6.510 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.51E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 2.000Ox-2 = Am(Ox)2- - log_k 10.710 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.071E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 3.000Ox-2 = Am(Ox)3-3 - log_k 13.000 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 1.000Am+3 + 2.000H2(PO4)- = Am(PO4)2-3 - log_k -19.430 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.943E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 1.000Phthalat-2 = Am(Phthalat)+ - log_k 4.930 #In analogy with Cm - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.93E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Am+3 + 1.000SO4-2 = Am(SO4)+ - log_k 3.450 #12GRI/GAR1 - delta_h 15.493 #kJ/mol - # Enthalpy of formation: -1510.547 #kJ/mol - -analytic 6.16425E+0 0E+0 -8.09255E+2 0E+0 0E+0 - -1.000Am+3 + 2.000SO4-2 = Am(SO4)2- - log_k 4.570 #12GRI/GAR1 - delta_h 20.927 #kJ/mol - # Enthalpy of formation: -2414.453 #kJ/mol - -analytic 8.23625E+0 0E+0 -1.09309E+3 0E+0 0E+0 - -1.000Am+3 + 1.000Cl- = AmCl+2 - log_k 0.240 #97KÖN/FAN - delta_h 25.106 #kJ/mol - # Enthalpy of formation: -758.674 #kJ/mol - -analytic 4.63838E+0 0E+0 -1.31138E+3 0E+0 0E+0 - -1.000Am+3 + 2.000Cl- = AmCl2+ - log_k -0.740 #97KÖN/FAN - delta_h 40.568 #kJ/mol - # Enthalpy of formation: -910.292 #kJ/mol - -analytic 6.3672E+0 0E+0 -2.11901E+3 0E+0 0E+0 - -1.000Am+3 + 1.000F- = AmF+2 - log_k 3.400 #03GUI/FAN - delta_h 27.134 #kJ/mol - # Enthalpy of formation: -924.916 #kJ/mol - -analytic 8.15367E+0 0E+0 -1.41731E+3 0E+0 0E+0 - -1.000Am+3 + 2.000F- = AmF2+ - log_k 5.800 #95SIL/BID - delta_h 22.320 #kJ/mol - # Enthalpy of formation: -1265.08 #kJ/mol - -analytic 9.71029E+0 0E+0 -1.16585E+3 0E+0 0E+0 - -1.000Am+3 + 3.000F- = AmF3 - log_k 10.820 #69AZI/LYL - delta_h -12.119 #kJ/mol - # Enthalpy of formation: -1634.869 #kJ/mol - -analytic 8.69685E+0 0E+0 6.33019E+2 0E+0 0E+0 - -1.000AmO2+ + 1.000CO3-2 = AmO2(CO3)- - log_k 5.100 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000AmO2+ + 2.000CO3-2 = AmO2(CO3)2-3 - log_k 6.700 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000AmO2+ + 3.000CO3-2 = AmO2(CO3)3-5 - log_k 5.100 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.1E+0 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 1.000AmO2+ + 2.000H2O = AmO2(OH)2- - log_k -23.600 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.36E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000AmO2+ + 1.000H2O = AmO2OH - log_k -11.300 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.13E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Am+3 + 1.000H4(SiO4) = AmOSi(OH)3+2 - log_k -2.310 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.31E+0 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 1.000Am+3 + 1.000H2(PO4)- = AmPO4 - log_k -7.760 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.76E+0 0E+0 0E+0 0E+0 0E+0 - -- 3.000H+ + 1.000H3(AsO3) = AsO3-3 - log_k -38.590 #79IVA/VOR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.859E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000B(OH)4- - 1.000H2O = B(OH)3 - log_k 9.240 - delta_h -13.514 #kJ/mol - # Enthalpy of formation: -1072.8 #kJ/mol #01LEM/FUG - -analytic 6.87245E+0 0E+0 7.05884E+2 0E+0 0E+0 - -2.000H+ + 3.000B(OH)4- - 7.000H2O = B3O5- - log_k 20.900 #97CRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.09E+1 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 4.000B(OH)4- - 9.000H2O = B4O7-2 - log_k 21.900 #97CRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.19E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000F- + 1.000B(OH)4- - 1.000H2O = BF(OH)3- - log_k 8.940 #77NOR/JEN - delta_h -39.078 #kJ/mol #77NOR/JEN - # Enthalpy of formation: -1433.714 #kJ/mol - -analytic 2.09384E+0 0E+0 2.04118E+3 0E+0 0E+0 - -2.000H+ + 2.000F- + 1.000B(OH)4- - 2.000H2O = BF2(OH)2- - log_k 16.970 #77NOR/JEN - delta_h -38.702 #kJ/mol #77NOR/JEN - # Enthalpy of formation: -1482.858 #kJ/mol - -analytic 1.01897E+1 0E+0 2.02154E+3 0E+0 0E+0 - -3.000H+ + 3.000F- + 1.000B(OH)4- - 3.000H2O = BF3(OH)- - log_k 23.010 #77NOR/JEN - delta_h -38.326 #kJ/mol #77NOR/JEN - # Enthalpy of formation: -1532.002 #kJ/mol - -analytic 1.62956E+1 0E+0 2.0019E+3 0E+0 0E+0 - -4.000H+ + 4.000F- + 1.000B(OH)4- - 4.000H2O = BF4- - log_k 29.620 #77NOR/JEN - delta_h 73.680 #kJ/mol #77NOR/JEN - # Enthalpy of formation: -1616.876 #kJ/mol - -analytic 4.25282E+1 0E+0 -3.84857E+3 0E+0 0E+0 - -1.000Ba+2 + 1.000CO3-2 = Ba(CO3) - log_k 2.710 #86BUS/PLU - delta_h 14.841 #kJ/mol #86BUS/PLU - # Enthalpy of formation: -1195.189 #kJ/mol - -analytic 5.31003E+0 0E+0 -7.75198E+2 0E+0 0E+0 - -1.000Ba+2 + 1.000H+ + 1.000CO3-2 = Ba(HCO3)+ - log_k 11.310 #86BUS/PLU - delta_h 8.560 #kJ/mol #86BUS/PLU - # Enthalpy of formation: -1201.47 #kJ/mol - -analytic 1.28096E+1 0E+0 -4.47119E+2 0E+0 0E+0 - -1.000Ba+2 + 1.000NO3- = Ba(NO3)+ - log_k -0.310 - delta_h 6.819 #kJ/mol - # Enthalpy of formation: -734.831 #kJ/mol - -analytic 8.84636E-1 0E+0 -3.56181E+2 0E+0 0E+0 - -1.000Ba+2 - 1.000H+ + 1.000H2O = Ba(OH)+ - log_k -13.470 #76BAE/MES - delta_h 87.395 #kJ/mol - # Enthalpy of formation: -733.235 #kJ/mol - -analytic 1.84092E+0 0E+0 -4.56495E+3 0E+0 0E+0 - -1.000Ba+2 + 1.000SO4-2 = Ba(SO4) - log_k 2.700 #76SMI/MAR - delta_h 7.367 #kJ/mol - # Enthalpy of formation: -1436.773 #kJ/mol - -analytic 3.99064E+0 0E+0 -3.84805E+2 0E+0 0E+0 - -1.000Ba+2 + 1.000B(OH)4- = BaB(OH)4+ - log_k 1.490 #80BAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.49E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ba+2 + 1.000F- = BaF+ - log_k 0.400 - delta_h 6.697 #kJ/mol - # Enthalpy of formation: -863.452 #kJ/mol #97SVE/SHO - -analytic 1.57326E+0 0E+0 -3.49808E+2 0E+0 0E+0 - -2.000H+ + 1.000CO3-2 - 1.000H2O - 0.500O2 = CO - log_k -31.390 - delta_h 262.373 #kJ/mol - # Enthalpy of formation: -120.96 #kJ/mol #82WAG/EVA - -analytic 1.45757E+1 0E+0 -1.37047E+4 0E+0 0E+0 - -2.000H+ + 1.000CO3-2 - 1.000H2O = CO2 - log_k 16.680 - delta_h -23.860 #kJ/mol - # Enthalpy of formation: -413.26 #kJ/mol #89COX/WAG - -analytic 1.24999E+1 0E+0 1.24629E+3 0E+0 0E+0 - -1.000Ca+2 + 1.000Acetate- = Ca(Acetate)+ - log_k 1.120 #95DER/DIG - delta_h -19.338 #kJ/mol - # Enthalpy of formation: -1048.348 #kJ/mol - -analytic -2.26787E+0 0E+0 1.01009E+3 0E+0 0E+0 - -1.000Ca+2 + 1.000Adipate-2 = Ca(Adipate) - log_k 2.190 #04MAR/SMI from 40TOP/DAV - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.19E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 - 3.000H+ + 1.000Am+3 + 3.000H2O = Ca(Am(OH)3)+2 - log_k -26.300 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000AsO4-3 = Ca(AsO4)- - log_k 5.770 #10MAR/ACC - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.77E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000Cit-3 = Ca(Cit)- - log_k 4.800 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -2062.92 #kJ/mol - -analytic 4.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 - 3.000H+ + 1.000Cm+3 + 3.000H2O = Ca(Cm(OH)3)+2 - log_k -26.300 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000Edta-4 = Ca(Edta)-2 - log_k 12.690 #05HUM/AND - delta_h -22.200 #kJ/mol - # Enthalpy of formation: -2270 #kJ/mol - -analytic 8.80073E+0 0E+0 1.15959E+3 0E+0 0E+0 - -1.000Ca+2 + 1.000Eu+3 - 3.000H+ + 3.000H2O = Ca(Eu(OH)3)+2 - log_k -26.300 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 2.000H+ + 1.000AsO4-3 = Ca(H2AsO4)+ - log_k 19.870 #10MAR/ACC - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.987E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 2.000H+ + 1.000Cit-3 = Ca(H2Cit)+ - log_k 12.670 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.267E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000H2(PO4)- = Ca(H2PO4)+ - log_k 1.410 #68CHU/MAR - delta_h 14.226 #kJ/mol #68CHU/MAR - # Enthalpy of formation: -1831.374 #kJ/mol - -analytic 3.90228E+0 0E+0 -7.43075E+2 0E+0 0E+0 - -1.000Ca+2 - 1.000H+ + 1.000H4(SiO4) = Ca(H3SiO4)+ - log_k -8.830 #97SVE/SHO - delta_h 31.633 #kJ/mol - # Enthalpy of formation: -1972.561 #kJ/mol - -analytic -3.28814E+0 0E+0 -1.6523E+3 0E+0 0E+0 - -1.000Ca+2 + 1.000H+ + 1.000AsO4-3 = Ca(HAsO4) - log_k 13.900 #10MAR/ACC - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000H+ + 1.000CO3-2 = Ca(HCO3)+ - log_k 11.430 #96BOU1 - delta_h -23.597 #kJ/mol - # Enthalpy of formation: -1241.827 #kJ/mol - -analytic 7.29599E+0 0E+0 1.23256E+3 0E+0 0E+0 - -1.000Ca+2 + 1.000H+ + 1.000Cit-3 = Ca(HCit) - log_k 9.280 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.28E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000H+ + 1.000Edta-4 = Ca(HEdta)- - log_k 16.230 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.623E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000HGlu- = Ca(HGlu)+ - log_k 1.730 #52SCH/LIN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.73E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000HIsa- = Ca(HIsa)+ - log_k 1.700 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000H+ + 1.000Malonate-2 = Ca(HMalonate)+ - log_k 6.640 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.64E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000H+ + 1.000Nta-3 = Ca(HNta) - log_k 13.400 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 2.000H+ + 2.000Nta-3 = Ca(HNta)2-2 - log_k 23.630 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.363E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 - 1.000H+ + 1.000H2(PO4)- = Ca(HPO4) - log_k -4.470 #68CHU/MAR - delta_h 17.407 #kJ/mol #68CHU/MAR - # Enthalpy of formation: -1828.193 #kJ/mol - -analytic -1.42043E+0 0E+0 -9.0923E+2 0E+0 0E+0 - -1.000Ca+2 + 1.000H+ + 1.000Phthalat-2 = Ca(HPhthalat)+ - log_k 6.420 #85DAN/DER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.42E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000H+ + 1.000Pyrophos-4 = Ca(HPyrophos)- - log_k 13.800 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000H+ + 1.000Succinat-2 = Ca(HSuccinat)+ - log_k 6.790 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 - 3.000H+ + 1.000Ho+3 + 3.000H2O = Ca(Ho(OH)3)+2 - log_k -26.300 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000IO3- = Ca(IO3)+ - log_k 0.400 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 - 1.000H+ + 1.000HIsa- = Ca(Isa) - log_k -10.400 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000Malonate-2 = Ca(Malonate) - log_k 2.430 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.43E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000NH3 = Ca(NH3)+2 - log_k -0.100 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 2.000NH3 = Ca(NH3)2+2 - log_k -0.700 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 3.000NH3 = Ca(NH3)3+2 - log_k -1.500 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 4.000NH3 = Ca(NH3)4+2 - log_k -2.600 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000Nta-3 = Ca(Nta)- - log_k 7.730 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.73E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 - 1.000H+ + 1.000HGlu- + 1.000H2O = Ca(OH)(HGlu) - log_k -10.400 #02TIT/WIE - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 - 1.000H+ + 1.000H2O = Ca(OH)+ - log_k -12.780 #87GAR/PAR - delta_h 77.206 #kJ/mol - # Enthalpy of formation: -751.624 #kJ/mol - -analytic 7.45891E-1 0E+0 -4.03274E+3 0E+0 0E+0 - -1.000Ca+2 + 1.000Ox-2 = Ca(Ox) - log_k 3.190 #05HUM/AND - delta_h 6.807 #kJ/mol - # Enthalpy of formation: -1366.853 #kJ/mol - -analytic 4.38253E+0 0E+0 -3.55554E+2 0E+0 0E+0 - -1.000Ca+2 + 2.000Ox-2 = Ca(Ox)2-2 - log_k 4.020 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.02E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 - 2.000H+ + 1.000H2(PO4)- = Ca(PO4)- - log_k -13.100 #68CHU/MAR - delta_h 31.170 #kJ/mol - # Enthalpy of formation: -1814.43 #kJ/mol - -analytic -7.63926E+0 0E+0 -1.62812E+3 0E+0 0E+0 - -1.000Ca+2 + 1.000Phthalat-2 = Ca(Phthalat) - log_k 2.490 #85DAN/DER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.49E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000Pyrophos-4 = Ca(Pyrophos)-2 - log_k 7.500 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000S2O3-2 = Ca(S2O3) - log_k 1.900 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de Hatches3.0) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1191.5 #kJ/mol - -analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000SO4-2 = Ca(SO4) - log_k 2.310 #53BEL/GEO - delta_h 4.292 #kJ/mol - # Enthalpy of formation: -1448.048 #kJ/mol - -analytic 3.06193E+0 0E+0 -2.24186E+2 0E+0 0E+0 - -1.000Ca+2 + 1.000SeO4-2 = Ca(SeO4) - log_k 2.000 #05OLI/NOL - delta_h 1.475 #kJ/mol - # Enthalpy of formation: -1145.025 #kJ/mol - -analytic 2.25841E+0 0E+0 -7.70445E+1 0E+0 0E+0 - -1.000Ca+2 + 1.000Sm+3 - 3.000H+ + 3.000H2O = Ca(Sm(OH)3)+2 - log_k -26.300 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000Succinat-2 = Ca(Succinat) - log_k 2.340 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.34E+0 0E+0 0E+0 0E+0 0E+0 - -2.000Ca+2 - 4.000H+ + 1.000Am+3 + 4.000H2O = Ca2(Am(OH)4)+3 - log_k -37.200 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 - -2.000Ca+2 - 4.000H+ + 1.000Cm+3 + 4.000H2O = Ca2(Cm(OH)4)+3 - log_k -37.200 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 - -2.000Ca+2 + 1.000Eu+3 - 4.000H+ + 4.000H2O = Ca2(Eu(OH)4)+3 - log_k -37.200 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 - -2.000Ca+2 - 4.000H+ + 1.000Ho+3 + 4.000H2O = Ca2(Ho(OH)4)+3 - log_k -37.200 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 - -2.000Ca+2 + 1.000Sm+3 - 4.000H+ + 4.000H2O = Ca2(Sm(OH)4)+3 - log_k -37.200 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0 - -2.000Ca+2 + 3.000CO3-2 + 1.000UO2+2 = Ca2UO2(CO3)3 - log_k 30.700 #06DON/BRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.07E+1 0E+0 0E+0 0E+0 0E+0 - -3.000Ca+2 - 6.000H+ + 1.000Am+3 + 6.000H2O = Ca3(Am(OH)6)+3 - log_k -60.700 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 - -3.000Ca+2 - 6.000H+ + 1.000Cm+3 + 6.000H2O = Ca3(Cm(OH)6)+3 - log_k -60.700 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 - -3.000Ca+2 + 1.000Eu+3 - 6.000H+ + 6.000H2O = Ca3(Eu(OH)6)+3 - log_k -60.700 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 - -3.000Ca+2 - 6.000H+ + 1.000Ho+3 + 6.000H2O = Ca3(Ho(OH)6)+3 - log_k -60.700 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 - -3.000Ca+2 + 1.000Sm+3 - 6.000H+ + 6.000H2O = Ca3(Sm(OH)6)+3 - log_k -60.700 #07RAB/ALT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0 - -4.000Ca+2 + 1.000Th+4 - 8.000H+ + 8.000H2O = Ca4Th(OH)8+4 - log_k -63.100 #08ALT/NEC - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.31E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000B(OH)4- = CaB(OH)4+ - log_k 1.800 #97CRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000CO3-2 = CaCO3 - log_k 3.220 #96BOU1 - delta_h 14.830 #kJ/mol - # Enthalpy of formation: -1203.4 #kJ/mol #96BOU1 - -analytic 5.8181E+0 0E+0 -7.74624E+2 0E+0 0E+0 - -1.000Ca+2 + 1.000CrO4-2 = CaCrO4 - log_k 2.770 #00PER/PAL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.77E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000F- = CaF+ - log_k 0.940 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel - delta_h 17.238 #kJ/mol - # Enthalpy of formation: -861.112 #kJ/mol - -analytic 3.95996E+0 0E+0 -9.00402E+2 0E+0 0E+0 - -1.000Ca+2 + 1.000I- = CaI+ - log_k 0.140 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.4E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 2.000I- = CaI2 - log_k -0.020 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2E-2 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000Th+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = CaTh(OH)4(HGlu)+ - log_k -9.000 #13COL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000Th+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = CaTh(OH)4(HIsa)+ - log_k -9.000 #13COL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ca+2 + 1.000UO2+2 + 3.000CO3-2 = CaUO2(CO3)3-2 - log_k 27.180 #06DON/BRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.718E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 1.000CO3-2 = Cd(CO3) - log_k 4.700 #91RAI/FEL1 - delta_h 4.299 #kJ/mol - # Enthalpy of formation: -746.851 #kJ/mol - -analytic 5.45315E+0 0E+0 -2.24552E+2 0E+0 0E+0 - -1.000Cd+2 + 2.000CO3-2 = Cd(CO3)2-2 - log_k 6.500 #91RAI/FEL1 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 1.000Cn- = Cd(Cn)+ - log_k 5.300 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 2.000Cn- = Cd(Cn)2 - log_k 10.340 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.034E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 3.000Cn- = Cd(Cn)3- - log_k 14.810 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.481E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 4.000Cn- = Cd(Cn)4-2 - log_k 18.250 - delta_h -98.480 #kJ/mol - # Enthalpy of formation: 428.096 #kJ/mol - -analytic 9.9707E-1 0E+0 5.14396E+3 0E+0 0E+0 - -1.000Cd+2 + 1.000H2(PO4)- = Cd(H2PO4)+ - log_k 1.800 #01AYA/MAD - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 1.000H+ + 1.000CO3-2 = Cd(HCO3)+ - log_k 11.830 #93STI/PAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.183E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 2.000HS- = Cd(HS)2 - log_k 14.430 #99WAN/TES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.443E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 1.000NH3 = Cd(NH3)+2 - log_k 2.520 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.52E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 2.000NH3 = Cd(NH3)2+2 - log_k 4.870 - delta_h -27.965 #kJ/mol - # Enthalpy of formation: -266.225 #kJ/mol - -analytic -2.92505E-2 0E+0 1.46071E+3 0E+0 0E+0 - -1.000Cd+2 + 3.000NH3 = Cd(NH3)3+2 - log_k 5.930 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 4.000NH3 = Cd(NH3)4+2 - log_k 7.300 - delta_h -49.714 #kJ/mol - # Enthalpy of formation: -450.314 #kJ/mol - -analytic -1.40951E+0 0E+0 2.59674E+3 0E+0 0E+0 - -1.000Cd+2 + 1.000NO3- = Cd(NO3)+ - log_k 0.460 #74FED/ROB in 82HÖG - delta_h -21.757 #kJ/mol #74NAU/RYZ in 91BAL/NOR - # Enthalpy of formation: -304.527 #kJ/mol - -analytic -3.35166E+0 0E+0 1.13645E+3 0E+0 0E+0 - -1.000Cd+2 + 2.000NO3- = Cd(NO3)2 - log_k 0.170 #97CRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.7E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 - 1.000H+ + 1.000H2O = Cd(OH)+ - log_k -10.080 #81BAE/MES - delta_h 54.810 #kJ/mol #81BAE/MES - # Enthalpy of formation: -306.94 #kJ/mol - -analytic -4.77714E-1 0E+0 -2.86292E+3 0E+0 0E+0 - -1.000Cd+2 - 2.000H+ + 2.000H2O = Cd(OH)2 - log_k -20.900 #91RAI/FEL1 - delta_h 114.900 #kJ/mol - # Enthalpy of formation: -532.68 #kJ/mol - -analytic -7.70414E-1 0E+0 -6.00164E+3 0E+0 0E+0 - -1.000Cd+2 - 3.000H+ + 3.000H2O = Cd(OH)3- - log_k -33.300 #81BAE/MES - delta_h 156.416 #kJ/mol - # Enthalpy of formation: -776.994 #kJ/mol - -analytic -5.89713E+0 0E+0 -8.17016E+3 0E+0 0E+0 - -1.000Cd+2 - 4.000H+ + 4.000H2O = Cd(OH)4-2 - log_k -47.480 #91RAI/FEL1 - delta_h 229.571 #kJ/mol - # Enthalpy of formation: -989.669 #kJ/mol - -analytic -7.26095E+0 0E+0 -1.19913E+4 0E+0 0E+0 - -1.000Cd+2 + 1.000Pyrophos-4 = Cd(Pyrophos)-2 - log_k 8.700 #92CLE/DER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 1.000S2O3-2 = Cd(S2O3) - log_k 2.460 - delta_h 5.405 #kJ/mol - # Enthalpy of formation: -722.801 #kJ/mol #74NAU/RYZ - -analytic 3.40691E+0 0E+0 -2.82322E+2 0E+0 0E+0 - -1.000Cd+2 + 1.000SO4-2 = Cd(SO4) - log_k 2.370 #97MAR/SMI - delta_h 8.700 #kJ/mol #97MAR/SMI - # Enthalpy of formation: -976.56 #kJ/mol - -analytic 3.89417E+0 0E+0 -4.54432E+2 0E+0 0E+0 - -1.000Cd+2 + 2.000SO4-2 = Cd(SO4)2-2 - log_k 3.440 #76SMI/MAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.44E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Cd(SeCn)+ - log_k 58.260 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.826E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Cd(SeCn)2 - log_k 115.370 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.1537E+2 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 3.000H+ + 3.000Cn- + 3.000HSe- - 3.000H2O + 1.500O2 = Cd(SeCn)3- - log_k 171.860 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.7186E+2 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 4.000H+ + 4.000Cn- + 4.000HSe- - 4.000H2O + 2.000O2 = Cd(SeCn)4-2 - log_k 228.670 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.2867E+2 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 1.000SeO4-2 = Cd(SeO4) - log_k 2.270 #05OLI/NOL - delta_h 8.300 #kJ/mol #05OLI/NOL - # Enthalpy of formation: -671.12 #kJ/mol - -analytic 3.7241E+0 0E+0 -4.33539E+2 0E+0 0E+0 - -4.000Cd+2 - 4.000H+ + 4.000H2O = Cd4(OH)4+4 - log_k -32.070 - delta_h 172.135 #kJ/mol - # Enthalpy of formation: -1274.865 #kJ/mol #99YUN/GLU - -analytic -1.91329E+0 0E+0 -8.99122E+3 0E+0 0E+0 - -1.000Cd+2 + 1.000Br- = CdBr+ - log_k 2.160 - delta_h -7.959 #kJ/mol - # Enthalpy of formation: -205.289 #kJ/mol - -analytic 7.65645E-1 0E+0 4.15727E+2 0E+0 0E+0 - -1.000Cd+2 + 2.000Br- = CdBr2 - log_k 2.920 - delta_h -15.742 #kJ/mol - # Enthalpy of formation: -334.482 #kJ/mol - -analytic 1.62124E-1 0E+0 8.22261E+2 0E+0 0E+0 - -1.000Cd+2 + 3.000Br- = CdBr3- - log_k 3.190 - delta_h -28.845 #kJ/mol - # Enthalpy of formation: -468.995 #kJ/mol - -analytic -1.86342E+0 0E+0 1.50668E+3 0E+0 0E+0 - -1.000Cd+2 + 1.000Cl- = CdCl+ - log_k 1.970 #76BAE/MES - delta_h -5.520 #kJ/mol - # Enthalpy of formation: -248.52 #kJ/mol - -analytic 1.00294E+0 0E+0 2.88329E+2 0E+0 0E+0 - -1.000Cd+2 + 2.000Cl- = CdCl2 - log_k 2.590 #76BAE/MES - delta_h -14.068 #kJ/mol - # Enthalpy of formation: -424.148 #kJ/mol - -analytic 1.25396E-1 0E+0 7.34822E+2 0E+0 0E+0 - -1.000Cd+2 + 3.000Cl- = CdCl3- - log_k 2.400 #76BAE/MES - delta_h -25.804 #kJ/mol - # Enthalpy of formation: -602.964 #kJ/mol - -analytic -2.12066E+0 0E+0 1.34783E+3 0E+0 0E+0 - -1.000Cd+2 + 4.000Cl- = CdCl4-2 - log_k 1.470 #76BAE/MES - delta_h -44.765 #kJ/mol - # Enthalpy of formation: -789.005 #kJ/mol - -analytic -6.37248E+0 0E+0 2.33824E+3 0E+0 0E+0 - -1.000Cd+2 - 1.000H+ + 1.000H2(PO4)- = CdHPO4 - log_k -2.380 #01AYA/MAD - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.38E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 1.000HS- = CdHS+ - log_k 7.380 #99WAN/TES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.38E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cd+2 + 1.000I- = CdI+ - log_k 2.090 - delta_h -8.739 #kJ/mol - # Enthalpy of formation: -141.439 #kJ/mol - -analytic 5.58995E-1 0E+0 4.56469E+2 0E+0 0E+0 - -1.000Cd+2 + 2.000I- = CdI2 - log_k 3.520 - delta_h -18.988 #kJ/mol - # Enthalpy of formation: -208.468 #kJ/mol - -analytic 1.9345E-1 0E+0 9.91811E+2 0E+0 0E+0 - -1.000Cd+2 + 3.000I- = CdI3- - log_k 4.640 - delta_h -38.647 #kJ/mol - # Enthalpy of formation: -284.907 #kJ/mol - -analytic -2.13065E+0 0E+0 2.01867E+3 0E+0 0E+0 - -1.000Cd+2 + 4.000I- = CdI4-2 - log_k 5.480 - delta_h -75.609 #kJ/mol - # Enthalpy of formation: -378.649 #kJ/mol - -analytic -7.76611E+0 0E+0 3.94933E+3 0E+0 0E+0 - -2.000Cl- - 1.000H2O + 2.000H+ + 0.500O2 = Cl2 - log_k -4.220 - delta_h 30.997 #kJ/mol - # Enthalpy of formation: -23.4 #kJ/mol #82WAG/EVA - -analytic 1.21043E+0 0E+0 -1.61908E+3 0E+0 0E+0 - -1.000Cl- + 2.000O2 = ClO4- - log_k -16.130 - delta_h 63.248 #kJ/mol - # Enthalpy of formation: -128.1 #kJ/mol #89COX/WAG - -analytic -5.04944E+0 0E+0 -3.30367E+3 0E+0 0E+0 - -1.000Cm+3 + 1.000Acetate- = Cm(Acetate)+2 - log_k 3.010 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.01E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cm+3 + 2.000Acetate- = Cm(Acetate)2+ - log_k 4.960 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.96E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cm+3 + 3.000Acetate- = Cm(Acetate)3 - log_k 6.300 #69MOS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.3E+0 0E+0 0E+0 0E+0 0E+0 - -2.000CO3-2 + 1.000Cm+3 = Cm(CO3)2- - log_k 12.600 #06DUR/CER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0 - -3.000CO3-2 + 1.000Cm+3 = Cm(CO3)3-3 - log_k 14.600 #06DUR/CER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H2(PO4)- + 1.000Cm+3 = Cm(H2PO4)+2 - log_k 2.400 #estimated by correlation with Ln(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000H2(PO4)- + 1.000Cm+3 = Cm(HPO4)+ - log_k -1.700 #estimated by correlation with Ln(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.7E+0 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 2.000H2(PO4)- + 1.000Cm+3 = Cm(HPO4)2- - log_k -5.210 #estimated by correlation with Ln(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.21E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Cm+3 + 1.000H2O = Cm(OH)+2 - log_k -7.200 #03GUI/FAN - delta_h 79.365 #kJ/mol - # Enthalpy of formation: -821.465 #kJ/mol - -analytic 6.70413E+0 0E+0 -4.14552E+3 0E+0 0E+0 - -- 2.000H+ + 1.000Cm+3 + 2.000H2O = Cm(OH)2+ - log_k -15.100 #03GUI/FAN - delta_h 144.956 #kJ/mol - # Enthalpy of formation: -1041.704 #kJ/mol - -analytic 1.02952E+1 0E+0 -7.57157E+3 0E+0 0E+0 - -- 3.000H+ + 1.000Cm+3 + 3.000H2O = Cm(OH)3 - log_k -26.200 #03GUI/FAN - delta_h 231.675 #kJ/mol - # Enthalpy of formation: -1240.815 #kJ/mol - -analytic 1.43877E+1 0E+0 -1.21012E+4 0E+0 0E+0 - -- 4.000H+ + 1.000Cm+3 + 4.000H2O = Cm(OH)4- - log_k -40.700 #07NEC/ALT2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.07E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ox-2 + 1.000Cm+3 = Cm(Ox)+ - log_k 6.480 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.48E+0 0E+0 0E+0 0E+0 0E+0 - -2.000Ox-2 + 1.000Cm+3 = Cm(Ox)2- - log_k 10.400 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.04E+1 0E+0 0E+0 0E+0 0E+0 - -3.000Ox-2 + 1.000Cm+3 = Cm(Ox)3-3 - log_k 12.840 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.284E+1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 2.000H2(PO4)- + 1.000Cm+3 = Cm(PO4)2-3 - log_k -19.230 #estimated by corrlation with Ln(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.923E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cm+3 + 1.000Phthalat-2 = Cm(Phthalat)+ - log_k 4.930 #11GRI/COL3 from 95PAN/KLE - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.93E+0 0E+0 0E+0 0E+0 0E+0 - -2.000SO4-2 + 1.000Cm+3 = Cm(SO4)2- - log_k 4.570 #12SKE/PAN, same as Am, revised in the 2012 update. - delta_h 20.880 #kJ/mol - # Enthalpy of formation: -2412.8 #kJ/mol #estimated by analogy with Ln - -analytic 8.22801E+0 0E+0 -1.09064E+3 0E+0 0E+0 - -1.000CO3-2 + 1.000Cm+3 = CmCO3+ - log_k 7.900 #06DUR/CER - delta_h 153.982 #kJ/mol - # Enthalpy of formation: -1136.248 #kJ/mol - -analytic 3.48764E+1 0E+0 -8.04303E+3 0E+0 0E+0 - -1.000Cl- + 1.000Cm+3 = CmCl+2 - log_k 0.240 #03GUI/FAN, same as Am - delta_h 22.512 #kJ/mol - # Enthalpy of formation: -759.568 #kJ/mol - -analytic 4.18393E+0 0E+0 -1.17588E+3 0E+0 0E+0 - -2.000Cl- + 1.000Cm+3 = CmCl2+ - log_k -0.740 #03GUI/FAN, same as Am - delta_h 41.165 #kJ/mol - # Enthalpy of formation: -907.995 #kJ/mol - -analytic 6.47179E+0 0E+0 -2.15019E+3 0E+0 0E+0 - -1.000F- + 1.000Cm+3 = CmF+2 - log_k 3.400 #03GUI/FAN, same as Am - delta_h 25.613 #kJ/mol - # Enthalpy of formation: -924.737 #kJ/mol - -analytic 7.8872E+0 0E+0 -1.33786E+3 0E+0 0E+0 - -2.000F- + 1.000Cm+3 = CmF2+ - log_k 5.800 #03GUI/FAN, same as Am - delta_h 20.620 #kJ/mol - # Enthalpy of formation: -1265.08 #kJ/mol - -analytic 9.41246E+0 0E+0 -1.07706E+3 0E+0 0E+0 - -3.000F- + 1.000Cm+3 = CmF3 - log_k 11.180 #69AZI/LYL - delta_h -15.485 #kJ/mol - # Enthalpy of formation: -1636.535 #kJ/mol - -analytic 8.46715E+0 0E+0 8.08837E+2 0E+0 0E+0 - -1.000H+ + 1.000CO3-2 + 1.000Cm+3 = CmHCO3+2 - log_k 13.430 #03GUI/FAN, same as Am - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.343E+1 0E+0 0E+0 0E+0 0E+0 - -1.000NO3- + 1.000Cm+3 = CmNO3+2 - log_k 1.330 #95SIL/BID - delta_h 1.800 #kJ/mol #09SKE/PAN - # Enthalpy of formation: -819.926 #kJ/mol - -analytic 1.64535E+0 0E+0 -9.40204E+1 0E+0 0E+0 - -- 2.000H+ + 1.000H2(PO4)- + 1.000Cm+3 = CmPO4 - log_k -7.660 #estimated by correlation with Ln(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.66E+0 0E+0 0E+0 0E+0 0E+0 - -1.000SO4-2 + 1.000Cm+3 = CmSO4+ - log_k 3.450 #12SKE/PAN, same as Am, revised in the 2012 update. - delta_h 15.640 #kJ/mol - # Enthalpy of formation: -1508.7 #kJ/mol #estimated by analogy with Ln - -analytic 6.19001E+0 0E+0 -8.16933E+2 0E+0 0E+0 - -- 1.000H+ + 1.000H4(SiO4) + 1.000Cm+3 = CmSiO(OH)3+2 - log_k -2.310 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.31E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Co+2 + 2.000HS- = Co(HS)2 - log_k 8.770 #66KHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.77E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Co+2 - 1.000H+ + 1.000H2O = Co(OH)+ - log_k -9.230 #98PLY/ZHA1 - delta_h 45.962 #kJ/mol - # Enthalpy of formation: -297.468 #kJ/mol - -analytic -1.17782E+0 0E+0 -2.40076E+3 0E+0 0E+0 - -1.000Co+2 - 2.000H+ + 2.000H2O = Co(OH)2 - log_k -18.600 #98PLY/ZHA1 - delta_h 105.707 #kJ/mol - # Enthalpy of formation: -523.553 #kJ/mol - -analytic -8.09557E-2 0E+0 -5.52145E+3 0E+0 0E+0 - -1.000Co+2 - 3.000H+ + 3.000H2O = Co(OH)3- - log_k -31.700 #98PLY/ZHA1 - delta_h 160.297 #kJ/mol - # Enthalpy of formation: -754.792 #kJ/mol - -analytic -3.61721E+0 0E+0 -8.37288E+3 0E+0 0E+0 - -1.000Co+2 - 4.000H+ + 4.000H2O = Co(OH)4-2 - log_k -46.420 #98PLY/ZHA1 - delta_h 214.483 #kJ/mol - # Enthalpy of formation: -986.436 #kJ/mol - -analytic -8.84425E+0 0E+0 -1.12032E+4 0E+0 0E+0 - -1.000Co+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Co(SeCn)+ - log_k 57.520 #75SAT/SAH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.752E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Co+2 + 1.000SeO4-2 = Co(SeO4) - log_k 2.700 #05OLI/NOL - delta_h -3.654 #kJ/mol - # Enthalpy of formation: -664.754 #kJ/mol - -analytic 2.05985E+0 0E+0 1.90861E+2 0E+0 0E+0 - -2.000Co+2 - 1.000H+ + 1.000H2O = Co2(OH)+3 - log_k -9.830 #98PLY/ZHA1 - delta_h 30.030 #kJ/mol - # Enthalpy of formation: -371 #kJ/mol #98PLY/ZHA1 - -analytic -4.56898E+0 0E+0 -1.56857E+3 0E+0 0E+0 - -4.000Co+2 - 4.000H+ + 4.000H2O = Co4(OH)4+4 - log_k -29.880 #98PLY/ZHA1 - delta_h 149.720 #kJ/mol - # Enthalpy of formation: -1224 #kJ/mol #98PLY/ZHA1 - -analytic -3.65022E+0 0E+0 -7.82041E+3 0E+0 0E+0 - -1.000Co+2 + 1.000CO3-2 = CoCO3 - log_k 4.230 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.23E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Co+2 + 1.000Cl- = CoCl+ - log_k 0.570 #81TUR/WHI - delta_h -2.180 #kJ/mol - # Enthalpy of formation: -226.859 #kJ/mol - -analytic 1.88081E-1 0E+0 1.13869E+2 0E+0 0E+0 - -1.000Co+2 + 2.000Cl- = CoCl2 - log_k 0.020 #06BLA/IGN - delta_h 4.074 #kJ/mol #06BLA/IGN - # Enthalpy of formation: -387.686 #kJ/mol - -analytic 7.33733E-1 0E+0 -2.128E+2 0E+0 0E+0 - -1.000Co+2 + 3.000Cl- = CoCl3- - log_k -1.710 #06BLA/IGN - delta_h 6.688 #kJ/mol #06BLA/IGN - # Enthalpy of formation: -552.152 #kJ/mol - -analytic -5.38314E-1 0E+0 -3.49338E+2 0E+0 0E+0 - -1.000Co+2 + 4.000Cl- = CoCl4-2 - log_k -2.090 #06BLA/IGN - delta_h 22.570 #kJ/mol #06BLA/IGN - # Enthalpy of formation: -703.35 #kJ/mol - -analytic 1.86409E+0 0E+0 -1.17891E+3 0E+0 0E+0 - -1.000Co+2 + 1.000F- = CoF+ - log_k 1.500 #97MAR/SMI - delta_h -0.631 #kJ/mol - # Enthalpy of formation: -393.581 #kJ/mol - -analytic 1.38945E+0 0E+0 3.29594E+1 0E+0 0E+0 - -1.000Co+2 + 1.000H+ + 1.000CO3-2 = CoHCO3+ - log_k 12.220 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.222E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Co+2 - 1.000H+ + 1.000H2(PO4)- = CoHPO4 - log_k -4.150 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.15E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Co+2 + 1.000HS- = CoHS+ - log_k 5.670 #66KHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.67E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Co+2 + 1.000S2O3-2 = CoS2O3 - log_k 2.050 #51DEN/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.05E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Co+2 + 1.000SO4-2 = CoSO4 - log_k 2.300 #97MAR/SMI - delta_h 2.092 #kJ/mol #74NAU/RYZ - # Enthalpy of formation: -964.848 #kJ/mol - -analytic 2.6665E+0 0E+0 -1.09273E+2 0E+0 0E+0 - -1.000H2(PO4)- + 1.000Cr+3 = Cr(H2PO4)+2 - log_k 2.560 #66LAH/ADI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.56E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000H2(PO4)- + 1.000Cr+3 = Cr(HPO4)+ - log_k 2.250 #76ALE/MAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.25E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cr+3 + 2.000CO3-2 + 1.000H2O - 1.000H+ = Cr(OH)(CO3)2-2 - log_k 9.730 #07RAI/MOO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.73E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Cr+2 + 1.000H2O = Cr(OH)+ - log_k -5.300 #83MIC/DEB, 04CHI - delta_h 30.327 #kJ/mol - # Enthalpy of formation: -413.123 #kJ/mol - -analytic 1.30545E-2 0E+0 -1.58409E+3 0E+0 0E+0 - -- 1.000H+ + 1.000Cr+3 + 1.000H2O = Cr(OH)+2 - log_k -3.420 #04RAI/MOO - delta_h 37.165 #kJ/mol - # Enthalpy of formation: -489.164 #kJ/mol - -analytic 3.09102E+0 0E+0 -1.94126E+3 0E+0 0E+0 - -- 2.000H+ + 1.000Cr+3 + 2.000H2O = Cr(OH)2+ - log_k -8.900 #11GRI/COL4 - delta_h 93.201 #kJ/mol - # Enthalpy of formation: -718.958 #kJ/mol - -analytic 7.42809E+0 0E+0 -4.86822E+3 0E+0 0E+0 - -- 3.000H+ + 1.000Cr+3 + 3.000H2O = Cr(OH)3 - log_k -14.340 #04RAI/MOO - delta_h 143.689 #kJ/mol - # Enthalpy of formation: -954.3 #kJ/mol - -analytic 1.08332E+1 0E+0 -7.50539E+3 0E+0 0E+0 - -- 3.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(H2PO4)- - log_k -11.560 #04RAI/MOO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.156E+1 0E+0 0E+0 0E+0 0E+0 - -2.000H2(PO4)- + 1.000Cr+3 + 3.000H2O - 3.000H+ = Cr(OH)3(H2PO4)2-2 - log_k -10.860 #04RAI/MOO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.086E+1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(HPO4)-2 - log_k -19.580 #04RAI/MOO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.958E+1 0E+0 0E+0 0E+0 0E+0 - -- 5.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(PO4)-3 - log_k -30.240 #98ZIE/JON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.024E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cr+3 + 1.000CO3-2 + 4.000H2O - 4.000H+ = Cr(OH)4(CO3)-3 - log_k -25.690 #07RAI/MOO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.569E+1 0E+0 0E+0 0E+0 0E+0 - -- 5.000H+ + 2.000H2(PO4)- + 1.000Cr+3 + 4.000H2O = Cr(OH)4(HPO4)(H2PO4)-4 - log_k -28.760 #98ZIE/JON - delta_h 14.000 #kJ/mol #98ZIE/JON - # Enthalpy of formation: -3975.04 #kJ/mol - -analytic -2.63073E+1 0E+0 -7.3127E+2 0E+0 0E+0 - -- 4.000H+ + 1.000Cr+3 + 4.000H2O = Cr(OH)4- - log_k -25.860 #04RAI/MOO - delta_h 193.604 #kJ/mol - # Enthalpy of formation: -1190.214 #kJ/mol - -analytic 8.05792E+0 0E+0 -1.01126E+4 0E+0 0E+0 - -1.000Cr+3 + 1.000CO3-2 + 1.000H2O - 1.000H+ = Cr(OH)CO3 - log_k 4.000 #07RAI/MOO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 2.000Cl- + 1.000Cr+3 + 1.000H2O = Cr(OH)Cl2 - log_k -5.730 - delta_h 32.720 #kJ/mol - # Enthalpy of formation: -827.77 #kJ/mol #76DEL/HEP - -analytic 2.28952E-3 0E+0 -1.70908E+3 0E+0 0E+0 - -- 2.000H+ + 2.000Cr+3 + 2.000H2O = Cr2(OH)2+4 - log_k -4.000 #11GRI/COL4 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4E+0 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 2.000CrO4-2 - 1.000H2O = Cr2O7-2 - log_k 14.750 #87PAL/WES, 04CHI - delta_h -3.752 #kJ/mol - # Enthalpy of formation: -1475.923 #kJ/mol - -analytic 1.40927E+1 0E+0 1.9598E+2 0E+0 0E+0 - -- 4.000H+ + 3.000Cr+3 + 4.000H2O = Cr3(OH)4+5 - log_k -7.600 #11GRI/COL4 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Br- + 1.000Cr+3 = CrBr+2 - log_k -0.620 - delta_h 22.600 #kJ/mol - # Enthalpy of formation: -339.322 #kJ/mol #76DEL/HEP - -analytic 3.33934E+0 0E+0 -1.18048E+3 0E+0 0E+0 - -1.000Cl- + 1.000Cr+2 = CrCl+ - log_k 5.600 #91ALL/BRO - delta_h -20.200 #kJ/mol #91ALL/BRO - # Enthalpy of formation: -344.9 #kJ/mol - -analytic 2.06112E+0 0E+0 1.05512E+3 0E+0 0E+0 - -1.000Cl- + 1.000Cr+3 = CrCl+2 - log_k 0.620 #64SIL/MAR - delta_h 20.920 #kJ/mol #64SIL/MAR - # Enthalpy of formation: -386.66 #kJ/mol - -analytic 4.28502E+0 0E+0 -1.09273E+3 0E+0 0E+0 - -2.000Cl- + 1.000Cr+3 = CrCl2+ - log_k -0.710 #64SIL/MAR - delta_h 20.920 #kJ/mol #64SIL/MAR - # Enthalpy of formation: -553.74 #kJ/mol - -analytic 2.95502E+0 0E+0 -1.09273E+3 0E+0 0E+0 - -1.000F- + 1.000Cr+3 = CrF+2 - log_k 5.210 #81TUR/WHI - delta_h -2.510 #kJ/mol #53HEP/JOL - # Enthalpy of formation: -578.36 #kJ/mol - -analytic 4.77027E+0 0E+0 1.31106E+2 0E+0 0E+0 - -2.000F- + 1.000Cr+3 = CrF2+ - log_k 9.310 #81TUR/WHI - delta_h -0.418 #kJ/mol #53HEP/JOL - # Enthalpy of formation: -911.618 #kJ/mol - -analytic 9.23677E+0 0E+0 2.18336E+1 0E+0 0E+0 - -3.000F- + 1.000Cr+3 = CrF3 - log_k 11.910 #81TUR/WHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.191E+1 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000Cl- + 1.000CrO4-2 - 1.000H2O = CrO3Cl- - log_k 8.080 - delta_h 5.500 #kJ/mol - # Enthalpy of formation: -754.8 #kJ/mol #76DEL/HEP - -analytic 9.04356E+0 0E+0 -2.87285E+2 0E+0 0E+0 - -1.000SO4-2 + 1.000Cr+3 = CrSO4+ - log_k 4.610 #81TUR/WHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.61E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cs+ + 1.000Cit-3 = Cs(Cit)-2 - log_k 0.980 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.8E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Cs+ + 1.000Edta-4 = Cs(Edta)-3 - log_k 1.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cs+ + 1.000Nta-3 = Cs(Nta)-2 - log_k 0.850 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.5E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Cs+ - 1.000H+ + 1.000H2O = Cs(OH) - log_k -15.640 - delta_h 65.736 #kJ/mol - # Enthalpy of formation: -478.094 #kJ/mol #97SHO/SAS2 - -analytic -4.12356E+0 0E+0 -3.43363E+3 0E+0 0E+0 - -1.000Cs+ + 1.000Br- = CsBr - log_k 0.090 - delta_h 5.922 #kJ/mol - # Enthalpy of formation: -373.488 #kJ/mol - -analytic 1.12749E+0 0E+0 -3.09327E+2 0E+0 0E+0 - -1.000Cs+ + 1.000Cl- = CsCl - log_k -0.090 - delta_h 7.523 #kJ/mol - # Enthalpy of formation: -417.557 #kJ/mol - -analytic 1.22797E+0 0E+0 -3.92953E+2 0E+0 0E+0 - -1.000Cs+ + 1.000F- = CsF - log_k -0.380 - delta_h 2.446 #kJ/mol - # Enthalpy of formation: -590.904 #kJ/mol - -analytic 4.85202E-2 0E+0 -1.27763E+2 0E+0 0E+0 - -1.000Cs+ + 1.000I- = CsI - log_k 1.050 - delta_h -0.055 #kJ/mol - # Enthalpy of formation: -314.835 #kJ/mol - -analytic 1.04036E+0 0E+0 2.87285E+0 0E+0 0E+0 - -1.000Cu+2 + 1.000B(OH)4- = Cu(B(OH)4)+ - log_k 7.130 #80BAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.13E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Cu+2 + 2.000B(OH)4- = Cu(B(OH)4)2 - log_k 12.450 #80BAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.245E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cu+2 + 3.000B(OH)4- = Cu(B(OH)4)3- - log_k 15.170 #80BAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.517E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Cu+2 + 1.000SeO4-2 = Cu(SeO4) - log_k 2.200 #Upper value suggested in 05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 1.000Acetate- = Eu(Acetate)+2 - log_k 2.900 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 2.000Acetate- = Eu(Acetate)2+ - log_k 4.800 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 3.000Acetate- = Eu(Acetate)3 - log_k 5.600 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 1.000CO3-2 = Eu(CO3)+ - log_k 7.900 #95SPA/BRU - delta_h 167.549 #kJ/mol - # Enthalpy of formation: -1113.013 #kJ/mol - -analytic 3.72533E+1 0E+0 -8.75168E+3 0E+0 0E+0 - -1.000Eu+3 + 2.000CO3-2 = Eu(CO3)2- - log_k 12.900 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 3.000CO3-2 = Eu(CO3)3-3 - log_k 14.800 #05VER/VIT2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 1.000H2(PO4)- = Eu(H2PO4)+2 - log_k 2.400 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 1.000H+ + 1.000CO3-2 = Eu(HCO3)+2 - log_k 12.430 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.243E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 - 1.000H+ + 1.000H2(PO4)- = Eu(HPO4)+ - log_k -1.510 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.51E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 - 2.000H+ + 2.000H2(PO4)- = Eu(HPO4)2- - log_k -4.820 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.82E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 1.000Malonate-2 = Eu(Malonate)+ - log_k 5.430 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.43E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 2.000Malonate-2 = Eu(Malonate)2- - log_k 7.780 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.78E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 - log_k 1.210 #09RAO/TIA1 (Calculated usig SIT) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 - 1.000H+ + 1.000H2O = Eu(OH)+2 - log_k -7.800 #95SPA/BRU - delta_h 79.824 #kJ/mol - # Enthalpy of formation: -811.337 #kJ/mol - -analytic 6.18454E+0 0E+0 -4.16949E+3 0E+0 0E+0 - -1.000Eu+3 - 2.000H+ + 2.000H2O = Eu(OH)2+ - log_k -15.700 #07NEC/ALT2 - delta_h 144.521 #kJ/mol - # Enthalpy of formation: -1032.471 #kJ/mol - -analytic 9.61896E+0 0E+0 -7.54885E+3 0E+0 0E+0 - -1.000Eu+3 - 3.000H+ + 3.000H2O = Eu(OH)3 - log_k -26.200 #07NEC/ALT2 - delta_h 226.860 #kJ/mol - # Enthalpy of formation: -1235.961 #kJ/mol - -analytic 1.35441E+1 0E+0 -1.18497E+4 0E+0 0E+0 - -1.000HIsa- + 1.000Eu+3 + 3.000H2O - 3.000H+ = Eu(OH)3(HIsa)- - log_k -20.900 #05TIT/WIE - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.09E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 - 4.000H+ + 4.000H2O = Eu(OH)4- - log_k -40.700 #07NEC/ALT2 - delta_h 296.791 #kJ/mol - # Enthalpy of formation: -1451.86 #kJ/mol - -analytic 1.12955E+1 0E+0 -1.55025E+4 0E+0 0E+0 - -1.000Eu+3 + 1.000Ox-2 = Eu(Ox)+ - log_k 6.550 #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.55E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 2.000Ox-2 = Eu(Ox)2- - log_k 10.930 # Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.093E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 3.000Ox-2 = Eu(Ox)3-3 - log_k 12.480 #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.248E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 - 2.000H+ + 1.000H2(PO4)- = Eu(PO4) - log_k -7.360 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.36E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 - 4.000H+ + 2.000H2(PO4)- = Eu(PO4)2-3 - log_k -18.460 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.846E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 1.000Phthalat-2 = Eu(Phthalat)+ - log_k 4.960 #11GRI/COL3 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.96E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 2.000Phthalat-2 = Eu(Phthalat)2- - log_k 7.340 #11GRI/COL3 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.34E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 1.000SO4-2 = Eu(SO4)+ - log_k 3.500 #95SPA/BRU - delta_h 15.577 #kJ/mol - # Enthalpy of formation: -1499.094 #kJ/mol - -analytic 6.22897E+0 0E+0 -8.13642E+2 0E+0 0E+0 - -1.000Eu+3 + 2.000SO4-2 = Eu(SO4)2- - log_k 5.200 #95SPA/BRU - delta_h 27.787 #kJ/mol - # Enthalpy of formation: -2396.224 #kJ/mol - -analytic 1.00681E+1 0E+0 -1.45141E+3 0E+0 0E+0 - -1.000Eu+3 + 1.000Succinat-2 = Eu(Succinat)+ - log_k 4.360 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.36E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 2.000Succinat-2 = Eu(Succinat)2- - log_k 6.500 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Eu+3 + 1.000Br- = EuBr+2 - log_k 0.250 #95SPA/BRU - delta_h 16.223 #kJ/mol - # Enthalpy of formation: -710.518 #kJ/mol - -analytic 3.09214E+0 0E+0 -8.47385E+2 0E+0 0E+0 - -1.000Eu+3 + 2.000Br- = EuBr2+ - log_k -0.090 #95SPA/BRU - delta_h 26.498 #kJ/mol - # Enthalpy of formation: -821.653 #kJ/mol - -analytic 4.55224E+0 0E+0 -1.38408E+3 0E+0 0E+0 - -1.000Eu+3 + 1.000Cl- = EuCl+2 - log_k 0.760 #Original data 01LUO/BYR and 04LUO/BYR - delta_h 21.929 #kJ/mol - # Enthalpy of formation: -750.482 #kJ/mol - -analytic 4.60179E+0 0E+0 -1.14543E+3 0E+0 0E+0 - -1.000Eu+3 + 2.000Cl- = EuCl2+ - log_k -0.050 #95SPA/BRU - delta_h 35.334 #kJ/mol - # Enthalpy of formation: -904.158 #kJ/mol - -analytic 6.14024E+0 0E+0 -1.84562E+3 0E+0 0E+0 - -1.000Eu+3 + 1.000F- = EuF+2 - log_k 4.330 #07LUO/BYR - delta_h 24.956 #kJ/mol - # Enthalpy of formation: -915.725 #kJ/mol - -analytic 8.7021E+0 0E+0 -1.30354E+3 0E+0 0E+0 - -1.000Eu+3 + 2.000F- = EuF2+ - log_k 6.550 #Original data from 99SCH/BYR and 04LUO/BYR - delta_h 21.483 #kJ/mol - # Enthalpy of formation: -1254.548 #kJ/mol - -analytic 1.03137E+1 0E+0 -1.12213E+3 0E+0 0E+0 - -1.000Eu+3 + 3.000F- = EuF3 - log_k 10.600 #95SPA/BRU - delta_h -8.343 #kJ/mol - # Enthalpy of formation: -1619.724 #kJ/mol - -analytic 9.13837E+0 0E+0 4.35785E+2 0E+0 0E+0 - -1.000Eu+3 - 1.000H+ + 1.000H4(SiO4) = EuSiO(OH)3+2 - log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO1 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000B(OH)4- = Fe(B(OH)4)+2 - log_k 8.580 #80BAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.58E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 2.000B(OH)4- = Fe(B(OH)4)2+ - log_k 15.540 #80BAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.554E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000CO3-2 = Fe(CO3) - log_k 5.690 #99CHI3 - delta_h -5.764 #kJ/mol - # Enthalpy of formation: -770.994 #kJ/mol - -analytic 4.68019E+0 0E+0 3.01074E+2 0E+0 0E+0 - -1.000Fe+2 + 2.000CO3-2 = Fe(CO3)2-2 - log_k 7.450 #98KIN in 99CHI3 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.45E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 3.000CO3-2 = Fe(CO3)3-3 - log_k 24.240 #05GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.424E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000Cit-3 = Fe(Cit) - log_k 12.650 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.265E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Fe(Cit)(OH)- - log_k 10.330 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.033E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000Cit-3 = Fe(Cit)- - log_k 6.100 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 2.000H+ + 2.000Cit-3 + 2.000H2O = Fe(Cit)2(OH)2-5 - log_k 3.440 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.44E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 2.000Cit-3 = Fe(Cit)2-3 - log_k 18.150 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.815E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 6.000Cn- = Fe(Cn)6-3 - log_k 43.600 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.36E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 6.000Cn- = Fe(Cn)6-4 - log_k 35.400 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.54E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000Edta-4 = Fe(Edta)- - log_k 27.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.77E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000Edta-4 = Fe(Edta)-2 - log_k 16.020 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.602E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 2.000H+ + 1.000Cit-3 = Fe(H2Cit)+ - log_k 24.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.47E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 2.000H+ + 1.000Cit-3 = Fe(H2Cit)+2 - log_k 30.400 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.04E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000H2(PO4)- = Fe(H2PO4)+ - log_k 2.690 #USGS original - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.69E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000H2(PO4)- = Fe(H2PO4)+2 - log_k 5.420 #USGS original - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.42E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 1.000H+ + 1.000H4(SiO4) = Fe(H3SiO4)+2 - log_k 0.360 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.6E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000H+ + 1.000Cit-3 = Fe(HCit) - log_k 10.020 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.002E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000H+ + 2.000Cit-3 = Fe(HCit)(Cit)-2 - log_k 19.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.93E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000H+ + 1.000Cit-3 = Fe(HCit)+ - log_k 13.560 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.356E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 2.000H+ + 2.000Cit-3 = Fe(HCit)2- - log_k 24.920 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.492E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000H+ + 1.000Edta-4 = Fe(HEdta) - log_k 29.200 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.92E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000H+ + 1.000Edta-4 = Fe(HEdta)- - log_k 18.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000H+ + 1.000Nta-3 = Fe(HNta) - log_k 12.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.23E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000H+ + 1.000Ox-2 = Fe(HOx)+2 - log_k 9.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 - 1.000H+ + 1.000H2(PO4)- = Fe(HPO4) - log_k -3.610 #USGS original - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.61E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 1.000H+ + 1.000H2(PO4)- = Fe(HPO4)+ - log_k 1.630 #96BOU4 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.63E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000HS- = Fe(HS)+ - log_k 4.340 #04CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.34E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 2.000HS- = Fe(HS)2 - log_k 6.450 #04CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.45E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000H+ + 1.000SO4-2 = Fe(HSO4)+ - log_k 3.070 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.07E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000H+ + 1.000SeO3-2 = Fe(HSeO3)+2 - log_k 12.350 #01SEB/POT2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.235E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000NH3 = Fe(NH3)+2 - log_k 1.300 #82SCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 2.000NH3 = Fe(NH3)2+2 - log_k 2.100 #82SCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 4.000NH3 = Fe(NH3)4+2 - log_k 3.600 #82SCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000NO3- = Fe(NO3)+2 - log_k 0.950 #HATCHES 8.0 1996 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.5E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000Nta-3 = Fe(Nta) - log_k 18.600 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.86E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000Nta-3 = Fe(Nta)- - log_k 10.600 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.06E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 2.000Nta-3 = Fe(Nta)2-3 - log_k 27.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.7E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 2.000Nta-3 = Fe(Nta)2-4 - log_k 13.500 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.35E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Fe(OH)(Cit)-2 - log_k 1.500 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Fe(OH)(Edta)-2 - log_k 20.840 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.084E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Fe(OH)(Edta)-3 - log_k 6.400 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Fe(OH)(Nta)- - log_k 14.600 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Fe(OH)(Nta)-2 - log_k -0.120 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.2E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 - 1.000H+ + 1.000H2O = Fe(OH)+ - log_k -9.500 #76BAE/MES in 99CHI3 - delta_h 55.304 #kJ/mol - # Enthalpy of formation: -320.526 #kJ/mol - -analytic 1.88831E-1 0E+0 -2.88872E+3 0E+0 0E+0 - -1.000Fe+3 - 1.000H+ + 1.000H2O = Fe(OH)+2 - log_k -2.190 #76BAE/MES in 98CHI - delta_h 43.514 #kJ/mol - # Enthalpy of formation: -291.316 #kJ/mol - -analytic 5.43331E+0 0E+0 -2.27289E+3 0E+0 0E+0 - -1.000Fe+2 - 2.000H+ + 2.000H2O = Fe(OH)2 - log_k -20.600 #76BAE/MES in 99CHI3 - delta_h 119.662 #kJ/mol - # Enthalpy of formation: -541.998 #kJ/mol - -analytic 3.63852E-1 0E+0 -6.25037E+3 0E+0 0E+0 - -1.000Fe+3 - 2.000H+ + 1.000Cit-3 + 2.000H2O = Fe(OH)2(Cit)-2 - log_k 2.900 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Fe(OH)2(Edta)-3 - log_k 10.060 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.006E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Fe(OH)2(Edta)-4 - log_k -4.400 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Fe(OH)2(Nta)-2 - log_k 6.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 2.000H+ + 2.000H2O = Fe(OH)2+ - log_k -5.670 #76BAE/MES in 98CHI - delta_h 71.546 #kJ/mol - # Enthalpy of formation: -549.114 #kJ/mol - -analytic 6.8643E+0 0E+0 -3.7371E+3 0E+0 0E+0 - -1.000Fe+3 - 3.000H+ + 3.000H2O = Fe(OH)3 - log_k -12.560 #91PEA/BER in 98CHI - delta_h 103.764 #kJ/mol - # Enthalpy of formation: -802.726 #kJ/mol - -analytic 5.61865E+0 0E+0 -5.41996E+3 0E+0 0E+0 - -1.000Fe+3 - 3.000H+ + 1.000Edta-4 + 3.000H2O = Fe(OH)3(Edta)-4 - log_k 8.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 - 3.000H+ + 3.000H2O = Fe(OH)3- - log_k -31.900 #76BAE/MES in 99CHI3 - delta_h 138.072 #kJ/mol - # Enthalpy of formation: -809.418 #kJ/mol - -analytic -7.71086E+0 0E+0 -7.21199E+3 0E+0 0E+0 - -1.000Fe+3 - 4.000H+ + 4.000H2O = Fe(OH)4- - log_k -21.600 #76BAE/MES in 98CHI - delta_h 133.471 #kJ/mol - # Enthalpy of formation: -1058.849 #kJ/mol - -analytic 1.78308E+0 0E+0 -6.97167E+3 0E+0 0E+0 - -1.000Fe+2 - 4.000H+ + 4.000H2O = Fe(OH)4-2 - log_k -46.000 #76BAE/MES in 99CHI3 - delta_h 158.797 #kJ/mol - # Enthalpy of formation: -1074.523 #kJ/mol - -analytic -1.818E+1 0E+0 -8.29453E+3 0E+0 0E+0 - -1.000Fe+2 + 1.000Ox-2 = Fe(Ox) - log_k 4.100 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000Ox-2 = Fe(Ox)+ - log_k 9.530 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.53E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 2.000Ox-2 = Fe(Ox)2- - log_k 15.750 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.575E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 2.000Ox-2 = Fe(Ox)2-2 - log_k 6.200 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 3.000Ox-2 = Fe(Ox)3-3 - log_k 20.200 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.02E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 3.000Ox-2 = Fe(Ox)3-4 - log_k 5.220 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.22E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000SO4-2 = Fe(SO4) - log_k 2.200 #91PEA/BER in 98CHI - delta_h 13.514 #kJ/mol - # Enthalpy of formation: -985.826 #kJ/mol - -analytic 4.56755E+0 0E+0 -7.05884E+2 0E+0 0E+0 - -1.000Fe+3 + 1.000SO4-2 = Fe(SO4)+ - log_k 4.100 #95BOU in 98CHI - delta_h 16.359 #kJ/mol - # Enthalpy of formation: -941.981 #kJ/mol - -analytic 6.96597E+0 0E+0 -8.54489E+2 0E+0 0E+0 - -1.000Fe+3 + 2.000SO4-2 = Fe(SO4)2- - log_k 5.400 #91PEA/BER in 98CHI - delta_h 19.248 #kJ/mol - # Enthalpy of formation: -1848.432 #kJ/mol - -analytic 8.7721E+0 0E+0 -1.00539E+3 0E+0 0E+0 - -1.000Fe+3 + 1.000SeO3-2 = Fe(SeO3)+ - log_k 11.150 #05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.115E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000SeO4-2 = Fe(SeO4) - log_k 2.710 #01SEB/POT2 - delta_h -12.601 #kJ/mol - # Enthalpy of formation: -706.101 #kJ/mol - -analytic 5.02403E-1 0E+0 6.58195E+2 0E+0 0E+0 - -2.000Fe+3 - 2.000H+ + 2.000Cit-3 + 2.000H2O = Fe2(Cit)2(OH)2-2 - log_k 45.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.5E+1 0E+0 0E+0 0E+0 0E+0 - -2.000Fe+3 - 2.000H+ + 2.000Edta-4 + 2.000H2O = Fe2(OH)2(Edta)2-4 - log_k 68.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.8E+1 0E+0 0E+0 0E+0 0E+0 - -2.000Fe+3 - 2.000H+ + 2.000H2O = Fe2(OH)2+4 - log_k -2.950 #91PEA/BER in 98CHI - delta_h 56.484 #kJ/mol - # Enthalpy of formation: -613.175 #kJ/mol - -analytic 6.94556E+0 0E+0 -2.95036E+3 0E+0 0E+0 - -3.000Fe+3 - 4.000H+ + 4.000H2O = Fe3(OH)4+5 - log_k -6.300 #76BAE/MES in 98CHI - delta_h 59.831 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.18193E+0 0E+0 -3.12519E+3 0E+0 0E+0 - -1.000Fe+3 + 1.000Br- = FeBr+2 - log_k 0.700 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 2.000Br- = FeBr2+ - log_k 0.900 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O = FeCO3OH - log_k 10.760 #05GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.076E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 - 1.000H+ + 1.000CO3-2 + 1.000H2O = FeCO3OH- - log_k -4.030 #98KIN in 99CHI3 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.03E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000Cl- = FeCl+ - log_k 0.140 #91PEA/BER in 98CHI - delta_h -0.078 #kJ/mol - # Enthalpy of formation: -257.158 #kJ/mol - -analytic 1.26335E-1 0E+0 4.07422E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000Cl- = FeCl+2 - log_k 1.400 #95BOU in 98CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 2.000Cl- = FeCl2 - log_k -0.520 #95CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.2E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 2.000Cl- = FeCl2+ - log_k 2.100 #95BOU in 98CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 3.000Cl- = FeCl3 - log_k 1.130 #90NOR/PLU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.13E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 3.000Cl- = FeCl3- - log_k 1.020 #95CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.02E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 4.000Cl- = FeCl4- - log_k -0.790 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.9E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000CrO4-2 = FeCrO4+ - log_k 7.800 #96BAR/PAL - delta_h 19.100 #kJ/mol #96BAR/PAL - # Enthalpy of formation: -908.9 #kJ/mol - -analytic 1.11462E+1 0E+0 -9.97661E+2 0E+0 0E+0 - -1.000Fe+2 + 1.000F- = FeF+ - log_k 1.000 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000F- = FeF+2 - log_k 6.130 #92PEA/BER in 98CHI - delta_h 11.297 #kJ/mol - # Enthalpy of formation: -373.053 #kJ/mol - -analytic 8.10915E+0 0E+0 -5.90083E+2 0E+0 0E+0 - -1.000Fe+3 + 2.000F- = FeF2+ - log_k 10.800 #92PEA/BER in 98CHI - delta_h 19.665 #kJ/mol - # Enthalpy of formation: -700.035 #kJ/mol - -analytic 1.42452E+1 0E+0 -1.02717E+3 0E+0 0E+0 - -1.000Fe+3 + 3.000F- = FeF3 - log_k 14.000 #92PEA/BER in 98CHI - delta_h 22.595 #kJ/mol - # Enthalpy of formation: -1032.455 #kJ/mol - -analytic 1.79585E+1 0E+0 -1.18022E+3 0E+0 0E+0 - -1.000Fe+3 + 2.000H+ + 1.000Pyrophos-4 = FeH2Pyrophos+ - log_k 26.000 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.6E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+2 + 1.000H+ + 1.000CO3-2 = FeHCO3+ - log_k 11.770 #95CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.177E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000H+ + 1.000SO4-2 = FeHSO4+2 - log_k 4.470 #90NOR/PLU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.47E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000I- = FeI+2 - log_k 2.100 #96BOU2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000S2O3-2 = FeS2O3+ - log_k 3.900 #82SCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Fe+3 + 1.000Scn- = FeScn+2 - log_k 3.100 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Adipate-2 = H(Adipate)- - log_k 5.450 #04MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.45E+0 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 1.000H3(AsO3) = H(AsO3)-2 - log_k -23.620 #79IVA/VOR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.362E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000AsO4-3 = H(AsO4)-2 - log_k 11.600 - delta_h -18.200 #kJ/mol - # Enthalpy of formation: -906.34 #kJ/mol #09RAN/FUG - -analytic 8.4115E+0 0E+0 9.50651E+2 0E+0 0E+0 - -1.000H+ + 1.000Cit-3 = H(Cit)-2 - log_k 6.360 #05HUM/AND - delta_h 3.300 #kJ/mol - # Enthalpy of formation: -1516.62 #kJ/mol - -analytic 6.93813E+0 0E+0 -1.72371E+2 0E+0 0E+0 - -1.000H+ + 1.000Edta-4 = H(Edta)-3 - log_k 11.240 #05HUM/AND - delta_h -19.800 #kJ/mol - # Enthalpy of formation: -1724.6 #kJ/mol - -analytic 7.77119E+0 0E+0 1.03422E+3 0E+0 0E+0 - -1.000H+ + 1.000Malonate-2 = H(Malonate)- - log_k 5.710 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.71E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Nta-3 = H(Nta)-2 - log_k 10.280 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.028E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Ox-2 = H(Ox)- - log_k 4.250 #05HUM/AND - delta_h 7.300 #kJ/mol - # Enthalpy of formation: -823.36 #kJ/mol - -analytic 5.5289E+0 0E+0 -3.81305E+2 0E+0 0E+0 - -1.000H+ + 1.000Pyrophos-4 = H(Pyrophos)-3 - log_k 9.400 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000S2O3-2 = H(S2O3)- - log_k 1.720 #04CHI - delta_h 8.253 #kJ/mol - # Enthalpy of formation: -644.033 #kJ/mol - -analytic 3.16586E+0 0E+0 -4.31084E+2 0E+0 0E+0 - -1.000H+ + 1.000SO3-2 = H(SO3)- - log_k 7.170 #85GOL/PAR - delta_h 3.668 #kJ/mol - # Enthalpy of formation: -627.392 #kJ/mol - -analytic 7.81261E+0 0E+0 -1.91593E+2 0E+0 0E+0 - -1.000H+ + 1.000SO4-2 = H(SO4)- - log_k 1.980 - delta_h 22.440 #kJ/mol - # Enthalpy of formation: -886.9 #kJ/mol - -analytic 5.91131E+0 0E+0 -1.17212E+3 0E+0 0E+0 - -1.000H+ + 1.000SeO3-2 = H(SeO3)- - log_k 8.360 #05OLI/NOL - delta_h -5.170 #kJ/mol - # Enthalpy of formation: -512.33 #kJ/mol #05OLI/NOL - -analytic 7.45426E+0 0E+0 2.70048E+2 0E+0 0E+0 - -1.000H+ + 1.000SeO4-2 = H(SeO4)- - log_k 1.750 #05OLI/NOL - delta_h 20.800 #kJ/mol #05OLI/NOL - # Enthalpy of formation: -582.7 #kJ/mol - -analytic 5.394E+0 0E+0 -1.08646E+3 0E+0 0E+0 - -1.000H+ + 1.000Suberate-2 = H(Suberate)- - log_k 5.400 #31GAN/ING - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Succinat-2 = H(Succinat)- - log_k 5.710 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.71E+0 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000Adipate-2 = H2(Adipate) - log_k 9.890 #04MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.89E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000H3(AsO3) = H2(AsO3)- - log_k -9.220 - delta_h 27.410 #kJ/mol - # Enthalpy of formation: -714.79 #kJ/mol #10RAN/FUG - -analytic -4.41798E+0 0E+0 -1.43172E+3 0E+0 0E+0 - -2.000H+ + 1.000AsO4-3 = H2(AsO4)- - log_k 18.370 - delta_h -21.420 #kJ/mol - # Enthalpy of formation: -909.56 #kJ/mol #09RAN/FUG - -analytic 1.46174E+1 0E+0 1.11884E+3 0E+0 0E+0 - -2.000H+ + 1.000Cit-3 = H2(Cit)- - log_k 11.140 #05HUM/AND - delta_h 0.900 #kJ/mol - # Enthalpy of formation: -1519.02 #kJ/mol - -analytic 1.12977E+1 0E+0 -4.70102E+1 0E+0 0E+0 - -2.000H+ + 1.000Edta-4 = H2(Edta)-2 - log_k 18.040 #05HUM/AND - delta_h -35.000 #kJ/mol - # Enthalpy of formation: -1739.8 #kJ/mol - -analytic 1.19083E+1 0E+0 1.82817E+3 0E+0 0E+0 - -2.000H+ + 1.000Malonate-2 = H2(Malonate) - log_k 8.670 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.67E+0 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000Nta-3 = H2(Nta)- - log_k 13.200 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.32E+1 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000Ox-2 = H2(Ox) - log_k 5.650 #05HUM/AND - delta_h 10.600 #kJ/mol #05HUM/AND - # Enthalpy of formation: -820.06 #kJ/mol - -analytic 7.50704E+0 0E+0 -5.53676E+2 0E+0 0E+0 - -2.000H+ + 1.000Pyrophos-4 = H2(Pyrophos)-2 - log_k 16.050 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.605E+1 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000S2O3-2 = H2(S2O3) - log_k 2.320 #04CHI - delta_h 22.917 #kJ/mol - # Enthalpy of formation: -629.369 #kJ/mol - -analytic 6.33488E+0 0E+0 -1.19704E+3 0E+0 0E+0 - -2.000H+ + 1.000SO3-2 = H2(SO3) - log_k 9.030 #85GOL/PAR - delta_h 21.453 #kJ/mol - # Enthalpy of formation: -609.607 #kJ/mol - -analytic 1.27884E+1 0E+0 -1.12057E+3 0E+0 0E+0 - -2.000H+ + 1.000SeO3-2 = H2(SeO3) - log_k 11.000 #05OLI/NOL - delta_h 1.840 #kJ/mol - # Enthalpy of formation: -505.32 #kJ/mol #05OLI/NOL - -analytic 1.13224E+1 0E+0 -9.61098E+1 0E+0 0E+0 - -- 2.000H+ + 1.000H4(SiO4) = H2(SiO4)-2 - log_k -23.140 #92GRE/FUG - delta_h 75.000 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1386.194 #kJ/mol - -analytic -1.00006E+1 0E+0 -3.91752E+3 0E+0 0E+0 - -2.000H+ + 1.000Suberate-2 = H2(Suberate) - log_k 9.920 #31GAN/ING - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.92E+0 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000Succinat-2 = H2(Succinat) - log_k 9.950 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.95E+0 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000CrO4-2 = H2CrO4 - log_k 6.320 #76BAE/MES, 04CHI - delta_h 39.596 #kJ/mol - # Enthalpy of formation: -839.404 #kJ/mol - -analytic 1.32569E+1 0E+0 -2.06824E+3 0E+0 0E+0 - -2.000H+ + 1.000H2(PO4)- + 1.000CrO4-2 - 1.000H2O = H2CrPO7- - log_k 9.020 - delta_h -51.490 #kJ/mol - # Enthalpy of formation: -1947.26 #kJ/mol #76DEL/HAL - -analytic -6.47544E-4 0E+0 2.68951E+3 0E+0 0E+0 - -1.000H+ + 1.000HGlu- = H2Glu - log_k 3.900 #98ZUB/CAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000HIsa- = H2Isa - log_k 4.000 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4E+0 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000MoO4-2 = H2MoO4 - log_k 8.150 #68SAS/SIL, 64AVE/ANA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.15E+0 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000Phthalat-2 = H2Phthalat - log_k 8.320 #10RIC/SAB1 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.32E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000HS- = H2S - log_k 6.990 - delta_h -22.300 #kJ/mol - # Enthalpy of formation: -38.6 #kJ/mol #89COX/WAG - -analytic 3.08321E+0 0E+0 1.16481E+3 0E+0 0E+0 - -2.000H+ + 1.000S2O4-2 = H2S2O4 - log_k 2.800 #04CHI - delta_h 20.207 #kJ/mol - # Enthalpy of formation: -733.293 #kJ/mol - -analytic 6.34011E+0 0E+0 -1.05548E+3 0E+0 0E+0 - -1.000H+ + 1.000HSe- = H2Se - log_k 3.850 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: 14.3 #kJ/mol #05OLI/NOL - -analytic 3.85E+0 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 1.000AsO4-3 = H3(AsO4) - log_k 20.630 - delta_h -14.360 #kJ/mol - # Enthalpy of formation: -902.5 #kJ/mol #09RAN/FUG - -analytic 1.81142E+1 0E+0 7.50074E+2 0E+0 0E+0 - -3.000H+ + 1.000Cit-3 = H3(Cit) - log_k 14.270 #05HUM/AND - delta_h -3.600 #kJ/mol - # Enthalpy of formation: -1523.52 #kJ/mol - -analytic 1.36393E+1 0E+0 1.88041E+2 0E+0 0E+0 - -3.000H+ + 1.000Edta-4 = H3(Edta)- - log_k 21.190 #05HUM/AND - delta_h -27.900 #kJ/mol - # Enthalpy of formation: -1732.7 #kJ/mol - -analytic 1.63021E+1 0E+0 1.45732E+3 0E+0 0E+0 - -3.000H+ + 1.000Nta-3 = H3(Nta) - log_k 15.330 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.533E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000H2(PO4)- = H3(PO4) - log_k 2.140 #92GRE/FUG - delta_h 8.480 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1294.12 #kJ/mol - -analytic 3.62563E+0 0E+0 -4.42941E+2 0E+0 0E+0 - -3.000H+ + 1.000Pyrophos-4 = H3(Pyrophos)- - log_k 18.300 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000H4(SiO4) = H3(SiO4)- - log_k -9.840 #06BLA/PIA - delta_h 29.363 #kJ/mol - # Enthalpy of formation: -1431.831 #kJ/mol - -analytic -4.69583E+0 0E+0 -1.53373E+3 0E+0 0E+0 - -4.000H+ + 1.000Edta-4 = H4(Edta) - log_k 23.420 #05HUM/AND - delta_h -26.000 #kJ/mol - # Enthalpy of formation: -1730.8 #kJ/mol - -analytic 1.8865E+1 0E+0 1.35807E+3 0E+0 0E+0 - -4.000H+ + 1.000Nta-3 = H4(Nta)+ - log_k 16.130 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.613E+1 0E+0 0E+0 0E+0 0E+0 - -4.000H+ + 1.000Pyrophos-4 = H4(Pyrophos) - log_k 19.300 #92GRE/FUG - delta_h 6.684 #kJ/mol - # Enthalpy of formation: -2280.21 #kJ/mol #92GRE/FUG - -analytic 2.0471E+1 0E+0 -3.49129E+2 0E+0 0E+0 - -5.000H+ + 1.000Edta-4 = H5(Edta)+ - log_k 24.720 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.472E+1 0E+0 0E+0 0E+0 0E+0 - -6.000H+ + 1.000Edta-4 = H6(Edta)+2 - log_k 24.220 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.422E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Acetate- = HAcetate - log_k 4.760 - delta_h 0.250 #kJ/mol - # Enthalpy of formation: -485.76 #kJ/mol #82WAG/EVA - -analytic 4.8038E+0 0E+0 -1.30584E+1 0E+0 0E+0 - -1.000H+ + 2.000B(OH)4- - 4.000H2O = HB2O4- - log_k 9.170 #97CRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.17E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000CO3-2 = HCO3- - log_k 10.330 - delta_h -14.700 #kJ/mol - # Enthalpy of formation: -689.93 #kJ/mol #89COX/WAG - -analytic 7.75467E+0 0E+0 7.67833E+2 0E+0 0E+0 - -1.000H+ + 1.000Cl- = HCl - log_k -0.710 #97TAG/ZOT - delta_h -12.298 #kJ/mol - # Enthalpy of formation: -179.378 #kJ/mol - -analytic -2.86451E+0 0E+0 6.42368E+2 0E+0 0E+0 - -1.000H+ + 1.000CrO4-2 = HCrO4- - log_k 6.520 #87PAL/WES, 04CHI - delta_h 6.016 #kJ/mol - # Enthalpy of formation: -872.984 #kJ/mol - -analytic 7.57396E+0 0E+0 -3.14237E+2 0E+0 0E+0 - -1.000H+ + 1.000H2(PO4)- + 1.000CrO4-2 - 1.000H2O = HCrPO7-2 - log_k 6.370 - delta_h -36.390 #kJ/mol - # Enthalpy of formation: -1932.16 #kJ/mol #76DEL/HEP - -analytic -5.24498E-3 0E+0 1.90078E+3 0E+0 0E+0 - -1.000H+ + 1.000MoO4-2 = HMoO4- - log_k 4.110 #68SAS/SIL, 64AVE/ANA - delta_h 58.576 #kJ/mol #68ARN/SZI in 76BAE/MES - # Enthalpy of formation: -938.424 #kJ/mol - -analytic 1.43721E+1 0E+0 -3.05963E+3 0E+0 0E+0 - -- 1.000H+ + 1.000H2(PO4)- = HPO4-2 - log_k -7.210 - delta_h 3.600 #kJ/mol - # Enthalpy of formation: -1299 #kJ/mol #89COX/WAG - -analytic -6.57931E+0 0E+0 -1.88041E+2 0E+0 0E+0 - -1.000H+ + 1.000Phthalat-2 = HPhthalat- - log_k 5.340 #10RIC/SAB1 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.34E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000S2O4-2 = HS2O4- - log_k 2.500 #04CHI - delta_h 3.834 #kJ/mol - # Enthalpy of formation: -749.666 #kJ/mol - -analytic 3.17169E+0 0E+0 -2.00263E+2 0E+0 0E+0 - -1.000H+ + 1.000SO4-2 + 0.500O2 = HSO5- - log_k -17.220 - delta_h 139.777 #kJ/mol - # Enthalpy of formation: -775.63 #kJ/mol #88SHO/HEL - -analytic 7.26784E+0 0E+0 -7.30105E+3 0E+0 0E+0 - -4.000CO3-2 + 1.000Hf+4 = Hf(CO3)4-4 - log_k 42.900 #analogy with Zr - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.29E+1 0E+0 0E+0 0E+0 0E+0 - -2.000NO3- + 1.000Hf+4 = Hf(NO3)2+2 - log_k 2.490 #65DES/KHO recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.49E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Hf+4 + 1.000H2O = Hf(OH)+3 - log_k -0.200 #01RAI/XIA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2E-1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 1.000Hf+4 + 4.000H2O = Hf(OH)4 - log_k -11.200 #01RAI/XIA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.12E+1 0E+0 0E+0 0E+0 0E+0 - -- 5.000H+ + 1.000Hf+4 + 5.000H2O = Hf(OH)5- - log_k -20.300 #01RAI/XIA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.03E+1 0E+0 0E+0 0E+0 0E+0 - -- 6.000H+ + 1.000Hf+4 + 6.000H2O = Hf(OH)6-2 - log_k -32.800 #01RAI/XIA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.28E+1 0E+0 0E+0 0E+0 0E+0 - -2.000SO4-2 + 1.000Hf+4 = Hf(SO4)2 - log_k 10.110 #65DES/KHO recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.011E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Br- + 1.000Hf+4 = HfBr+3 - log_k 0.380 #67HAL/POH recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.8E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Cl- + 1.000Hf+4 = HfCl+3 - log_k 2.200 #65DES/KHO and others recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0 - -2.000Cl- + 1.000Hf+4 = HfCl2+2 - log_k 2.050 #65DES/KHO and others recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.05E+0 0E+0 0E+0 0E+0 0E+0 - -1.000F- + 1.000Hf+4 = HfF+3 - log_k 9.290 #05SAW/THA and others recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.29E+0 0E+0 0E+0 0E+0 0E+0 - -2.000F- + 1.000Hf+4 = HfF2+2 - log_k 17.850 #05SAW/THA and others recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.785E+1 0E+0 0E+0 0E+0 0E+0 - -3.000F- + 1.000Hf+4 = HfF3+ - log_k 25.080 #05SAW/THA and others recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.508E+1 0E+0 0E+0 0E+0 0E+0 - -4.000F- + 1.000Hf+4 = HfF4 - log_k 31.410 #05SAW/THA and others recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.141E+1 0E+0 0E+0 0E+0 0E+0 - -1.000I- + 1.000Hf+4 = HfI+3 - log_k 0.020 #67HAL/POH recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2E-2 0E+0 0E+0 0E+0 0E+0 - -1.000NO3- + 1.000Hf+4 = HfNO3+3 - log_k 1.850 #65DES/KHO 69HAL/SMO recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.85E+0 0E+0 0E+0 0E+0 0E+0 - -1.000SO4-2 + 1.000Hf+4 = HfSO4+2 - log_k 6.060 #65DES/KHO recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.06E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Hg+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Hg(SeCn)2 - log_k 134.330 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3433E+2 0E+0 0E+0 0E+0 0E+0 - -1.000Hg+2 + 3.000H+ + 3.000Cn- + 3.000HSe- - 3.000H2O + 1.500O2 = Hg(SeCn)3- - log_k 194.850 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.9485E+2 0E+0 0E+0 0E+0 0E+0 - -1.000Hg+2 + 4.000H+ + 4.000Cn- + 4.000HSe- - 4.000H2O + 2.000O2 = Hg(SeCn)4-2 - log_k 253.370 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.5337E+2 0E+0 0E+0 0E+0 0E+0 - -1.000Hg+2 + 2.000SeO3-2 = Hg(SeO3)2-2 - log_k 14.850 #05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.485E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Hg+2 - 1.000H+ + 1.000HSe- = HgSe - log_k 37.590 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.759E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Hg+2 - 2.000H+ + 2.000HSe- = HgSe2-2 - log_k 32.630 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.263E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ho+3 + 1.000CO3-2 = Ho(CO3)+ - log_k 8.000 #95SPA/BRU - delta_h 168.562 #kJ/mol - # Enthalpy of formation: -1213.71 #kJ/mol - -analytic 3.75308E+1 0E+0 -8.80459E+3 0E+0 0E+0 - -1.000Ho+3 + 2.000CO3-2 = Ho(CO3)2- - log_k 13.300 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.33E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ho+3 + 3.000CO3-2 = Ho(CO3)3-3 - log_k 14.800 #05VER/VIT2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ho+3 + 1.000H2(PO4)- = Ho(H2PO4)+2 - log_k 2.300 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Ho+3 + 1.000CO3-2 = Ho(HCO3)+2 - log_k 12.500 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.25E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Ho+3 + 1.000H2(PO4)- = Ho(HPO4)+ - log_k -1.410 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.41E+0 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 1.000Ho+3 + 2.000H2(PO4)- = Ho(HPO4)2- - log_k -4.520 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.52E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ho+3 + 1.000NO3- = Ho(NO3)+2 - log_k 0.500 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5E-1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Ho+3 + 1.000H2O = Ho(OH)+2 - log_k -7.900 #95SPA/BRU - delta_h 79.900 #kJ/mol - # Enthalpy of formation: -912.972 #kJ/mol - -analytic 6.09786E+0 0E+0 -4.17346E+3 0E+0 0E+0 - -- 2.000H+ + 1.000Ho+3 + 2.000H2O = Ho(OH)2+ - log_k -15.700 #07NEC/ALT2 - delta_h 143.846 #kJ/mol - # Enthalpy of formation: -1134.856 #kJ/mol - -analytic 9.5007E+0 0E+0 -7.51359E+3 0E+0 0E+0 - -- 3.000H+ + 1.000Ho+3 + 3.000H2O = Ho(OH)3 - log_k -26.200 #07NEC/ALT2 - delta_h 226.067 #kJ/mol - # Enthalpy of formation: -1338.465 #kJ/mol - -analytic 1.34052E+1 0E+0 -1.18083E+4 0E+0 0E+0 - -- 4.000H+ + 1.000Ho+3 + 4.000H2O = Ho(OH)4- - log_k -40.700 #07NEC/ALT2 - delta_h 295.822 #kJ/mol - # Enthalpy of formation: -1554.54 #kJ/mol - -analytic 1.11257E+1 0E+0 -1.54518E+4 0E+0 0E+0 - -- 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)- = Ho(PO4) - log_k -6.960 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.96E+0 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 1.000Ho+3 + 2.000H2(PO4)- = Ho(PO4)2-3 - log_k -17.820 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.782E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ho+3 + 1.000SO4-2 = Ho(SO4)+ - log_k 3.400 #95SPA/BRU - delta_h 15.387 #kJ/mol - # Enthalpy of formation: -1600.995 #kJ/mol - -analytic 6.09568E+0 0E+0 -8.03718E+2 0E+0 0E+0 - -1.000Ho+3 + 2.000SO4-2 = Ho(SO4)2- - log_k 4.900 #95SPA/BRU - delta_h 23.670 #kJ/mol - # Enthalpy of formation: -2502.052 #kJ/mol - -analytic 9.0468E+0 0E+0 -1.23637E+3 0E+0 0E+0 - -1.000Ho+3 + 1.000Cl- = HoCl+2 - log_k 0.740 #Original data from 01LUO/BYR and 04LUO/BYR - delta_h 22.013 #kJ/mol - # Enthalpy of formation: -852.109 #kJ/mol - -analytic 4.59651E+0 0E+0 -1.14982E+3 0E+0 0E+0 - -1.000Ho+3 + 2.000Cl- = HoCl2+ - log_k -0.290 #81TUR/WHI - delta_h 36.300 #kJ/mol - # Enthalpy of formation: -1004.902 #kJ/mol - -analytic 6.06948E+0 0E+0 -1.89608E+3 0E+0 0E+0 - -1.000Ho+3 + 1.000F- = HoF+2 - log_k 4.330 #07LUO/BYR - delta_h 25.761 #kJ/mol - # Enthalpy of formation: -1016.631 #kJ/mol - -analytic 8.84313E+0 0E+0 -1.34559E+3 0E+0 0E+0 - -1.000Ho+3 + 2.000F- = HoF2+ - log_k 6.520 #Original data from 99SCH/BYR and 04LUO/BYR - delta_h 21.110 #kJ/mol #04LUO/MIL - # Enthalpy of formation: -1356.632 #kJ/mol - -analytic 1.02183E+1 0E+0 -1.10265E+3 0E+0 0E+0 - -- 1.000H+ + 1.000Ho+3 + 1.000H4(SiO4) = HoSiO(OH)3+2 - log_k -2.620 #Original data from 07THA/SIN and 96JEN/CHO1 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 - -3.000I- - 1.000H2O + 2.000H+ + 0.500O2 = I3- - log_k 24.820 - delta_h -160.886 #kJ/mol - # Enthalpy of formation: -51.463 #kJ/mol - -analytic -3.36598E+0 0E+0 8.40365E+3 0E+0 0E+0 - -2.000Cl- + 1.000I- - 1.000H2O + 2.000H+ + 0.500O2 = ICl2- - log_k 16.190 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.619E+1 0E+0 0E+0 0E+0 0E+0 - -1.000I- + 0.500O2 = IO- - log_k -1.010 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.01E+0 0E+0 0E+0 0E+0 0E+0 - -1.000I- + 2.000O2 = IO4- - log_k 6.980 - delta_h -70.413 #kJ/mol - # Enthalpy of formation: -151.461 #kJ/mol - -analytic -5.35581E+0 0E+0 3.67792E+3 0E+0 0E+0 - -1.000K+ + 1.000Edta-4 = K(Edta)-3 - log_k 1.800 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000K+ + 1.000H+ + 1.000Nta-3 = K(HNta)- - log_k 10.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.03E+1 0E+0 0E+0 0E+0 0E+0 - -1.000K+ - 1.000H+ + 1.000H2(PO4)- = K(HPO4)- - log_k -6.400 #97MAR/SMI - delta_h 31.589 #kJ/mol #97MAR/SMI - # Enthalpy of formation: -1523.151 #kJ/mol - -analytic -8.65853E-1 0E+0 -1.65001E+3 0E+0 0E+0 - -1.000K+ + 1.000IO3- = K(IO3) - log_k 0.020 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2E-2 0E+0 0E+0 0E+0 0E+0 - -1.000K+ + 1.000Nta-3 = K(Nta)-2 - log_k 1.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000K+ + 1.000Pyrophos-4 = K(Pyrophos)-3 - log_k 2.100 #76MAR/SMI - delta_h 7.113 #kJ/mol #76MAR/SMI - # Enthalpy of formation: -2531.921 #kJ/mol - -analytic 3.34614E+0 0E+0 -3.71537E+2 0E+0 0E+0 - -1.000K+ + 1.000Al+3 - 4.000H+ + 4.000H2O = KAl(OH)4 - log_k -24.220 - delta_h 211.675 #kJ/mol - # Enthalpy of formation: -1722.185 #kJ/mol #97POK/HEL2 - -analytic 1.28638E+1 0E+0 -1.10565E+4 0E+0 0E+0 - -1.000K+ + 1.000H2(PO4)- = KH2PO4 - log_k 0.440 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.4E-1 0E+0 0E+0 0E+0 0E+0 - -1.000K+ + 1.000I- = KI - log_k -1.570 #estimation NEA87 08/2/95 - delta_h 9.011 #kJ/mol - # Enthalpy of formation: -299.909 #kJ/mol - -analytic 8.65712E-3 0E+0 -4.70677E+2 0E+0 0E+0 - -1.000K+ - 2.000H+ + 1.000H2(PO4)- = KPO4-2 - log_k -18.260 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.826E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000CO3-2 = Mg(CO3) - log_k 2.980 #97SVE/SHO - delta_h 8.804 #kJ/mol - # Enthalpy of formation: -1133.426 #kJ/mol - -analytic 4.52239E+0 0E+0 -4.59864E+2 0E+0 0E+0 - -1.000Mg+2 + 1.000Cit-3 = Mg(Cit)- - log_k 4.810 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.81E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000Edta-4 = Mg(Edta)-2 - log_k 10.900 #05HUM/AND - delta_h 19.800 #kJ/mol - # Enthalpy of formation: -2152 #kJ/mol - -analytic 1.43688E+1 0E+0 -1.03422E+3 0E+0 0E+0 - -1.000Mg+2 + 2.000H+ + 1.000Cit-3 = Mg(H2Cit)+ - log_k 12.450 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.245E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000H2(PO4)- = Mg(H2PO4)+ - log_k 1.170 #81TUR/WHI - delta_h 13.514 #kJ/mol #96BOU1 - # Enthalpy of formation: -1756.086 #kJ/mol - -analytic 3.53755E+0 0E+0 -7.05884E+2 0E+0 0E+0 - -1.000Mg+2 - 1.000H+ + 1.000H4(SiO4) = Mg(H3SiO4)+ - log_k -8.580 #97SVE/SHO - delta_h 27.114 #kJ/mol - # Enthalpy of formation: -1901.08 #kJ/mol - -analytic -3.82984E+0 0E+0 -1.41626E+3 0E+0 0E+0 - -1.000Mg+2 + 1.000H+ + 1.000CO3-2 = Mg(HCO3)+ - log_k 11.370 #95SHO/KOR - delta_h -12.859 #kJ/mol - # Enthalpy of formation: -1155.089 #kJ/mol - -analytic 9.1172E+0 0E+0 6.71671E+2 0E+0 0E+0 - -1.000Mg+2 + 1.000H+ + 1.000Cit-3 = Mg(HCit) - log_k 8.960 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.96E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000H+ + 1.000Edta-4 = Mg(HEdta)- - log_k 15.400 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.54E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000H+ + 1.000Malonate-2 = Mg(HMalonate)+ - log_k 7.050 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.05E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 - 1.000H+ + 1.000H2(PO4)- = Mg(HPO4) - log_k -4.300 #76SMI/MAR - delta_h 16.152 #kJ/mol #76SMI/MAR - # Enthalpy of formation: -1753.448 #kJ/mol - -analytic -1.4703E+0 0E+0 -8.43676E+2 0E+0 0E+0 - -1.000Mg+2 + 1.000H+ + 1.000Succinat-2 = Mg(HSuccinat)+ - log_k 6.720 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.72E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000IO3- = Mg(IO3)+ - log_k 0.700 #estimation NEA87 08/2/95 ; - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000Malonate-2 = Mg(Malonate) - log_k 2.860 #76KLA/OST - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.86E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000NH3 = Mg(NH3)+2 - log_k 0.100 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -548.148 #kJ/mol - -analytic 1E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 3.000NH3 = Mg(NH3)3+2 - log_k -0.300 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -710.444 #kJ/mol - -analytic -3E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 4.000NH3 = Mg(NH3)4+2 - log_k -1.000 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -791.592 #kJ/mol - -analytic -1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000Nta-3 = Mg(Nta)- - log_k 6.790 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 - 1.000H+ + 1.000H2O = Mg(OH)+ - log_k -11.680 #97SHO/SAS2 - delta_h 62.835 #kJ/mol - # Enthalpy of formation: -689.995 #kJ/mol - -analytic -6.71797E-1 0E+0 -3.2821E+3 0E+0 0E+0 - -1.000Mg+2 + 1.000Ox-2 = Mg(Ox) - log_k 3.560 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.56E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 2.000Ox-2 = Mg(Ox)2-2 - log_k 5.170 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.17E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 - 2.000H+ + 1.000H2(PO4)- = Mg(PO4)- - log_k -14.710 #81TUR/WHI - delta_h 31.170 #kJ/mol #96BOU1 - # Enthalpy of formation: -1738.43 #kJ/mol - -analytic -9.24926E+0 0E+0 -1.62812E+3 0E+0 0E+0 - -1.000Mg+2 + 1.000Pyrophos-4 = Mg(Pyrophos)-2 - log_k 7.200 #76SMI/MAR - delta_h 12.542 #kJ/mol - # Enthalpy of formation: -2741.352 #kJ/mol - -analytic 9.39726E+0 0E+0 -6.55113E+2 0E+0 0E+0 - -1.000Mg+2 + 1.000S2O3-2 = Mg(S2O3) - log_k 1.820 #76SMI/MAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.82E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000SO4-2 = Mg(SO4) - log_k 2.230 #76SMI/MAR - delta_h 5.858 #kJ/mol #76SMI/MAR - # Enthalpy of formation: -1370.482 #kJ/mol - -analytic 3.25628E+0 0E+0 -3.05984E+2 0E+0 0E+0 - -1.000Mg+2 + 1.000SeO4-2 = Mg(SeO4) - log_k 2.200 #05OLI/NOL - delta_h -6.614 #kJ/mol - # Enthalpy of formation: -1077.114 #kJ/mol - -analytic 1.04128E+0 0E+0 3.45473E+2 0E+0 0E+0 - -1.000Mg+2 + 1.000Succinat-2 = Mg(Succinat) - log_k 2.270 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.27E+0 0E+0 0E+0 0E+0 0E+0 - -4.000Mg+2 - 4.000H+ + 4.000H2O = Mg4(OH)4+4 - log_k -39.750 #76BAE/MES - delta_h 229.186 #kJ/mol - # Enthalpy of formation: -2782.134 #kJ/mol - -analytic 4.01605E-1 0E+0 -1.19712E+4 0E+0 0E+0 - -1.000Mg+2 + 1.000B(OH)4- = MgB(OH)4+ - log_k 1.600 #97CRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000Br- = MgBr+ - log_k -0.140 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.4E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 1.000Cl- = MgCl+ - log_k 0.350 #96BOU1 - delta_h -1.729 #kJ/mol - # Enthalpy of formation: -635.809 #kJ/mol - -analytic 4.70926E-2 0E+0 9.03118E+1 0E+0 0E+0 - -1.000Mg+2 + 1.000F- = MgF+ - log_k 1.800 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel - delta_h 13.389 #kJ/mol - # Enthalpy of formation: -788.961 #kJ/mol - -analytic 4.14565E+0 0E+0 -6.99355E+2 0E+0 0E+0 - -1.000Mg+2 + 1.000I- = MgI+ - log_k 0.180 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.8E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mg+2 + 2.000I- = MgI2 - log_k 0.030 #estimation NEA87 08/2/95 ; - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3E-2 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000CO3-2 = Mn(CO3) - log_k 6.500 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000H+ + 1.000CO3-2 = Mn(HCO3)+ - log_k 11.610 #95CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.161E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 - 1.000H+ + 1.000H2(PO4)- = Mn(HPO4) - log_k -3.260 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.26E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 - 2.000H+ + 2.000H2(PO4)- = Mn(HPO4)2-2 - log_k -9.120 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -9.12E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000IO3- = Mn(IO3)+ - log_k 0.840 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.4E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 2.000IO3- = Mn(IO3)2 - log_k 0.130 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000NH3 = Mn(NH3)+2 - log_k 0.700 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 2.000NH3 = Mn(NH3)2+2 - log_k 1.200 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000NO3- = Mn(NO3)+ - log_k 0.160 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.6E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 2.000NO3- = Mn(NO3)2 - log_k 0.500 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 - 1.000H+ + 1.000H2O = Mn(OH)+ - log_k -10.590 #95CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.059E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 - 2.000H+ + 2.000H2O = Mn(OH)2 - log_k -22.200 #95CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.22E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 - 3.000H+ + 3.000H2O = Mn(OH)3- - log_k -34.800 #95CHI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.48E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 - 4.000H+ + 4.000H2O = Mn(OH)4-2 - log_k -48.300 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/91PEA/BER 11891 EN ; Nagra TR 91-18 (mai 1992, Hatches 3.0) (provient de la base 0391 MINEQL- PSY) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.83E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000Pyrophos-4 = Mn(Pyrophos)-2 - log_k 6.000 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000S2O3-2 = Mn(S2O3) - log_k 1.900 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000SO4-2 = Mn(SO4) - log_k 2.250 #95CHI - delta_h 14.100 #kJ/mol - # Enthalpy of formation: -1115.99 #kJ/mol - -analytic 4.72021E+0 0E+0 -7.36493E+2 0E+0 0E+0 - -1.000Mn+2 + 1.000Scn- = Mn(Scn)+ - log_k 1.400 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000SeO4-2 = Mn(SeO4) - log_k 2.430 #05OLI/NOL - delta_h -1.282 #kJ/mol - # Enthalpy of formation: -825.582 #kJ/mol - -analytic 2.2054E+0 0E+0 6.69634E+1 0E+0 0E+0 - -1.000Mn+2 - 0.500H2O + 1.000H+ + 0.250O2 = Mn+3 - log_k -4.015 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.015E+0 0E+0 0E+0 0E+0 0E+0 - -2.000Mn+2 - 1.000H+ + 1.000H2O = Mn2(OH)+3 - log_k -10.100 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.01E+1 0E+0 0E+0 0E+0 0E+0 - -2.000Mn+2 - 3.000H+ + 3.000H2O = Mn2(OH)3+ - log_k -24.900 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.49E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000Br- = MnBr+ - log_k 0.130 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000Cl- = MnCl+ - log_k 0.300 - delta_h 18.466 #kJ/mol - # Enthalpy of formation: -369.364 #kJ/mol - -analytic 3.5351E+0 0E+0 -9.64545E+2 0E+0 0E+0 - -1.000Mn+2 + 2.000Cl- = MnCl2 - log_k 0.250 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.5E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 3.000Cl- = MnCl3- - log_k -0.310 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.1E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000F- = MnF+ - log_k 0.850 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.5E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 2.000F- = MnF2 - log_k 9.040 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.04E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 3.000F- = MnF3- - log_k 11.640 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.164E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 4.000F- = MnF4-2 - log_k 13.400 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 5.000F- = MnF5-3 - log_k 14.700 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.47E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 6.000F- = MnF6-4 - log_k 15.500 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.55E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 + 1.000I- = MnI+ - log_k 0.230 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.3E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Mn+2 - 3.000H+ + 1.500H2O + 1.250O2 = MnO4- - log_k -20.305 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - delta_h 123.253 #kJ/mol - # Enthalpy of formation: -541.41 #kJ/mol - -analytic 1.28788E+0 0E+0 -6.43792E+3 0E+0 0E+0 - -1.000Mn+2 - 4.000H+ + 2.000H2O + 1.000O2 = MnO4-2 - log_k -32.420 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - delta_h 151.840 #kJ/mol - # Enthalpy of formation: -652.704 #kJ/mol - -analytic -5.81881E+0 0E+0 -7.93114E+3 0E+0 0E+0 - -1.000Mn+2 - 5.000H+ + 2.500H2O + 0.750O2 = MnO4-3 - log_k -48.515 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.8515E+1 0E+0 0E+0 0E+0 0E+0 - -5.000H+ + 1.000MoO4-2 - 2.500H2O - 0.750O2 = Mo+3 - log_k -42.725 #68SAS/SIL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.2725E+1 0E+0 0E+0 0E+0 0E+0 - -34.000H+ + 19.000MoO4-2 - 17.000H2O = Mo19O59-4 - log_k 196.300 #68SAS/SIL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.963E+2 0E+0 0E+0 0E+0 0E+0 - -5.000H+ + 2.000MoO4-2 - 2.000H2O = Mo2O5(OH)+ - log_k 19.000 #68SAS/SIL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.9E+1 0E+0 0E+0 0E+0 0E+0 - -11.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O21(OH)3-3 - log_k 66.480 #68SAS/SIL, 64AVE/ANA - delta_h -222.589 #kJ/mol #68ARN/SZI in 76BAE/MES - # Enthalpy of formation: -6058.269 #kJ/mol - -analytic 2.74841E+1 0E+0 1.16266E+4 0E+0 0E+0 - -10.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O22(OH)2-4 - log_k 62.710 #68SAS/SIL, 64AVE/ANA - delta_h -220.079 #kJ/mol #68ARN/SZI in 76BAE/MES - # Enthalpy of formation: -6055.759 #kJ/mol - -analytic 2.41539E+1 0E+0 1.14955E+4 0E+0 0E+0 - -9.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O23(OH)-5 - log_k 57.210 #68SAS/SIL, 64AVE/ANA - delta_h -223.426 #kJ/mol #68ARN/SZI in 76BAE/MES - # Enthalpy of formation: -6059.106 #kJ/mol - -analytic 1.80675E+1 0E+0 1.16703E+4 0E+0 0E+0 - -8.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O24-6 - log_k 50.350 #68SAS/SIL, 64AVE/ANA - delta_h -234.304 #kJ/mol #68ARN/SZI in 76BAE/MES - # Enthalpy of formation: -6069.984 #kJ/mol - -analytic 9.30176E+0 0E+0 1.22385E+4 0E+0 0E+0 - -1.000H+ + 1.000NH3 = NH4+ - log_k 9.230 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -133.26 #kJ/mol #92GRE/FUG - -analytic 9.23E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Na+ + 1.000CO3-2 = Na(CO3)- - log_k 1.270 #90NOR/PLU - delta_h 37.279 #kJ/mol #90NOR/PLU - # Enthalpy of formation: -878.291 #kJ/mol - -analytic 7.80099E+0 0E+0 -1.94721E+3 0E+0 0E+0 - -1.000Na+ + 1.000Edta-4 = Na(Edta)-3 - log_k 2.800 #05HUM/AND - delta_h -4.000 #kJ/mol - # Enthalpy of formation: -1949.14 #kJ/mol - -analytic 2.09923E+0 0E+0 2.08934E+2 0E+0 0E+0 - -1.000Na+ + 1.000H+ + 1.000CO3-2 = Na(HCO3) - log_k 10.080 #90NOR/PLU - delta_h -26.127 #kJ/mol - # Enthalpy of formation: -941.697 #kJ/mol - -analytic 5.50275E+0 0E+0 1.36471E+3 0E+0 0E+0 - -1.000Na+ + 1.000H+ + 1.000Nta-3 = Na(HNta)- - log_k 10.320 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.032E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Na+ - 1.000H+ + 1.000H2(PO4)- = Na(HPO4)- - log_k -6.340 #97MAR/SMI - delta_h 34.936 #kJ/mol #97MAR/SMI - # Enthalpy of formation: -1508.004 #kJ/mol - -analytic -2.19485E-1 0E+0 -1.82483E+3 0E+0 0E+0 - -1.000Na+ + 1.000IO3- = Na(IO3) - log_k 0.060 #estimation NEA87 08/2/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6E-2 0E+0 0E+0 0E+0 0E+0 - -1.000Na+ + 1.000Nta-3 = Na(Nta)-2 - log_k 1.880 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.88E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Na+ + 1.000S2O3-2 = Na(S2O3)- - log_k 0.610 - delta_h 4.656 #kJ/mol - # Enthalpy of formation: -887.97 #kJ/mol #82WAG/EVA - -analytic 1.42569E+0 0E+0 -2.43199E+2 0E+0 0E+0 - -2.000Na+ + 1.000Pyrophos-4 = Na2(Pyrophos)-2 - log_k 2.290 #76SMI/MAR - delta_h 5.858 #kJ/mol #76SMI/MAR - # Enthalpy of formation: -2761.716 #kJ/mol - -analytic 3.31628E+0 0E+0 -3.05984E+2 0E+0 0E+0 - -1.000Na+ + 1.000Al+3 - 4.000H+ + 4.000H2O = NaAl(OH)4 - log_k -23.630 - delta_h 190.348 #kJ/mol - # Enthalpy of formation: -1731.712 #kJ/mol #95POK/HEL - -analytic 9.71749E+0 0E+0 -9.94255E+3 0E+0 0E+0 - -1.000Na+ + 1.000B(OH)4- = NaB(OH)4 - log_k -0.100 - delta_h 1.226 #kJ/mol - # Enthalpy of formation: -1584.23 #kJ/mol - -analytic 1.14786E-1 0E+0 -6.40383E+1 0E+0 0E+0 - -1.000Na+ + 1.000F- = NaF - log_k -0.450 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel - delta_h -12.552 #kJ/mol - # Enthalpy of formation: -588.242 #kJ/mol - -analytic -2.64901E+0 0E+0 6.55636E+2 0E+0 0E+0 - -1.000Na+ + 1.000H2(PO4)- = NaH2PO4 - log_k 0.410 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.1E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Na+ + 1.000I- = NaI - log_k -1.520 #estimation NEA87 08/2/95 - delta_h 7.252 #kJ/mol - # Enthalpy of formation: -289.868 #kJ/mol - -analytic -2.49506E-1 0E+0 -3.78798E+2 0E+0 0E+0 - -1.000Na+ - 2.000H+ + 1.000H2(PO4)- = NaPO4-2 - log_k -18.070 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.807E+1 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 1.000Nb(OH)6- - 3.000H2O = Nb(OH)3+2 - log_k 7.500 #97PEI/NGU - delta_h -10.230 #kJ/mol #97PEI/NGU - # Enthalpy of formation: -1078.405 #kJ/mol - -analytic 5.70778E+0 0E+0 5.34349E+2 0E+0 0E+0 - -2.000H+ + 1.000Nb(OH)6- - 2.000H2O = Nb(OH)4+ - log_k 6.640 #97PEI/NGU - delta_h -35.350 #kJ/mol #97PEI/NGU - # Enthalpy of formation: -1389.355 #kJ/mol - -analytic 4.46955E-1 0E+0 1.84646E+3 0E+0 0E+0 - -1.000H+ + 1.000Nb(OH)6- - 1.000H2O = Nb(OH)5 - log_k 5.080 #97PEI/NGU - delta_h -13.390 #kJ/mol #97PEI/NGU - # Enthalpy of formation: -1653.225 #kJ/mol - -analytic 2.73418E+0 0E+0 6.99407E+2 0E+0 0E+0 - -- 1.000H+ + 1.000Nb(OH)6- + 1.000H2O = Nb(OH)7-2 - log_k -8.880 #97PEI/NGU - delta_h 10.170 #kJ/mol #97PEI/NGU - # Enthalpy of formation: -2201.325 #kJ/mol - -analytic -7.0983E+0 0E+0 -5.31215E+2 0E+0 0E+0 - -5.000H+ + 1.000Nb(OH)6- + 1.000Cit-3 - 4.000H2O = NbO2(H3Cit)+ - log_k 25.640 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.564E+1 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 1.000Nb(OH)6- + 1.000Ox-2 - 4.000H2O = NbO2(HOx) - log_k 13.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.37E+1 0E+0 0E+0 0E+0 0E+0 - -4.000H+ + 1.000Nb(OH)6- + 2.000Ox-2 - 4.000H2O = NbO2(HOx)2- - log_k 20.960 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.096E+1 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 1.000Nb(OH)6- + 1.000Ox-2 - 4.000H2O = NbO2(Ox)- - log_k 10.940 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.094E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000Acetate- = Ni(Acetate)+ - log_k 1.340 #11RIC/GRI - delta_h -28.257 #kJ/mol - # Enthalpy of formation: -569.279 #kJ/mol - -analytic -3.61041E+0 0E+0 1.47596E+3 0E+0 0E+0 - -1.000Ni+2 + 1.000CO3-2 = Ni(CO3) - log_k 4.200 #03BAE/BRA in 05GAM/BUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 2.000CO3-2 = Ni(CO3)2-2 - log_k 6.200 #03BAE/BRA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000Cit-3 = Ni(Cit)- - log_k 6.760 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.76E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 2.000Cit-3 = Ni(Cit)2-4 - log_k 8.500 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 4.000Cn- = Ni(Cn)4-2 - log_k 30.200 - delta_h -180.700 #kJ/mol #05GAM/BUG - # Enthalpy of formation: 353.688 #kJ/mol - -analytic -1.45723E+0 0E+0 9.4386E+3 0E+0 0E+0 - -1.000Ni+2 + 5.000Cn- = Ni(Cn)5-3 - log_k 28.500 - delta_h -191.100 #kJ/mol #05GAM/BUG - # Enthalpy of formation: 490.638 #kJ/mol - -analytic -4.97923E+0 0E+0 9.98183E+3 0E+0 0E+0 - -1.000Ni+2 + 1.000Edta-4 = Ni(Edta)-2 - log_k 20.540 #05HUM/AND - delta_h -26.100 #kJ/mol - # Enthalpy of formation: -1785.912 #kJ/mol - -analytic 1.59675E+1 0E+0 1.3633E+3 0E+0 0E+0 - -1.000Ni+2 + 2.000H+ + 1.000Cit-3 = Ni(H2Cit)+ - log_k 13.190 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.319E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000H+ + 1.000CO3-2 = Ni(HCO3)+ - log_k 11.730 #03BAE/BRA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.173E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000H+ + 1.000Cit-3 = Ni(HCit) - log_k 10.520 #05HUM/BER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.052E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000H+ + 1.000Edta-4 = Ni(HEdta)- - log_k 24.200 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.42E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000HIsa- = Ni(HIsa)+ - log_k 2.800 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 - 1.000H+ + 1.000H2(PO4)- = Ni(HPO4) - log_k -4.160 #05GAM/BUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.16E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 2.000HS- = Ni(HS)2 - log_k 11.100 #02HUM/BER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.11E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000Malonate-2 = Ni(Malonate) - log_k 4.390 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.39E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 2.000Malonate-2 = Ni(Malonate)2-2 - log_k 8.150 #98KHA/RAD - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.15E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000NH3 = Ni(NH3)+2 - log_k 2.610 #70LET - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.61E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 2.000NH3 = Ni(NH3)2+2 - log_k 4.760 #70LET - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.76E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 3.000NH3 = Ni(NH3)3+2 - log_k 6.790 #70LET - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 4.000NH3 = Ni(NH3)4+2 - log_k 8.340 #70LET - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.34E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000NO3- = Ni(NO3)+ - log_k 0.500 #05GAM/BUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 2.000NO3- = Ni(NO3)2 - log_k -0.600 #76SMI/MAR in 89BAE/McK - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000Nta-3 = Ni(Nta)- - log_k 12.750 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.275E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 2.000Nta-3 = Ni(Nta)2-4 - log_k 16.950 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.695E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Ni(OH)(Nta)-2 - log_k 1.470 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.47E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 - 1.000H+ + 1.000H2O = Ni(OH)+ - log_k -9.540 #05GAM/BUG - delta_h 53.800 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -287.042 #kJ/mol - -analytic -1.14658E-1 0E+0 -2.81017E+3 0E+0 0E+0 - -1.000Ni+2 - 2.000H+ + 2.000H2O = Ni(OH)2 - log_k -18.000 #49GAY/GAR reevaluated in 05GAM/BUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.8E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 - 3.000H+ + 1.000H2(PO4)- + 2.000H2O = Ni(OH)2(HPO4)-2 - log_k -23.240 #95LEM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.324E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000HIsa- + 3.000H2O - 3.000H+ = Ni(OH)3(HIsa)-2 - log_k -26.500 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.65E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 - 3.000H+ + 3.000H2O = Ni(OH)3- - log_k -29.380 #49GAY/GAR reevaluated in 05GAM/BUG - delta_h 121.200 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -791.302 #kJ/mol - -analytic -8.1467E+0 0E+0 -6.33071E+3 0E+0 0E+0 - -1.000Ni+2 + 1.000Ox-2 = Ni(Ox) - log_k 5.190 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -885.672 #kJ/mol - -analytic 5.19E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 2.000Ox-2 = Ni(Ox)2-2 - log_k 7.640 #05HUM/AND - delta_h -7.800 #kJ/mol - # Enthalpy of formation: -1724.132 #kJ/mol - -analytic 6.2735E+0 0E+0 4.07422E+2 0E+0 0E+0 - -1.000Ni+2 + 1.000Phthalat-2 = Ni(Phthalat) - log_k 3.000 #11GRI/COL3 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000Pyrophos-4 = Ni(Pyrophos)-2 - log_k 8.730 #05GAM/BUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.73E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000S2O3-2 = Ni(S2O3) - log_k 2.060 #51DEU/HEI in 64SIL/MAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.06E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000SO4-2 = Ni(SO4) - log_k 2.350 #05GAM/BUG - delta_h 5.660 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -958.692 #kJ/mol - -analytic 3.34159E+0 0E+0 -2.95642E+2 0E+0 0E+0 - -1.000Ni+2 + 2.000SO4-2 = Ni(SO4)2-2 - log_k 3.010 #89BAE/McK - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.01E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000Scn- = Ni(Scn)+ - log_k 1.810 - delta_h -11.800 #kJ/mol #05GAM/BUG - # Enthalpy of formation: 9.588 #kJ/mol - -analytic -2.57268E-1 0E+0 6.16356E+2 0E+0 0E+0 - -1.000Ni+2 + 2.000Scn- = Ni(Scn)2 - log_k 2.690 - delta_h -21.000 #kJ/mol #05GAM/BUG - # Enthalpy of formation: 76.788 #kJ/mol - -analytic -9.89037E-1 0E+0 1.0969E+3 0E+0 0E+0 - -1.000Ni+2 + 3.000Scn- = Ni(Scn)3- - log_k 3.020 - delta_h -29.000 #kJ/mol #05GAM/BUG - # Enthalpy of formation: 145.188 #kJ/mol - -analytic -2.06057E+0 0E+0 1.51477E+3 0E+0 0E+0 - -1.000Ni+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Ni(SeCn)+ - log_k 57.790 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.779E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Ni(SeCn)2 - log_k 114.270 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.1427E+2 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000SeO4-2 = Ni(SeO4) - log_k 2.670 #05OLI/NOL - delta_h -0.675 #kJ/mol - # Enthalpy of formation: -659.187 #kJ/mol - -analytic 2.55175E+0 0E+0 3.52577E+1 0E+0 0E+0 - -2.000Ni+2 - 1.000H+ + 1.000H2O = Ni2(OH)+3 - log_k -10.600 #05GAM/BUG - delta_h 45.900 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -349.954 #kJ/mol - -analytic -2.55868E+0 0E+0 -2.39752E+3 0E+0 0E+0 - -4.000Ni+2 - 4.000H+ + 4.000H2O = Ni4(OH)4+4 - log_k -27.520 #05GAM/BUG - delta_h 190.000 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -1173.368 #kJ/mol - -analytic 5.76652E+0 0E+0 -9.92438E+3 0E+0 0E+0 - -1.000Ni+2 + 1.000Cl- = NiCl+ - log_k 0.080 #05GAM/BUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8E-2 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000F- = NiF+ - log_k 1.430 #05GAM/BUG - delta_h 9.500 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -380.862 #kJ/mol - -analytic 3.09433E+0 0E+0 -4.96219E+2 0E+0 0E+0 - -1.000Ni+2 + 1.000H+ + 1.000AsO4-3 = NiHAsO4 - log_k 14.500 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.45E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000H+ + 1.000Pyrophos-4 = NiHPyrophos- - log_k 14.540 #05GAM/BUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.454E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Ni+2 + 1.000HS- = NiHS+ - log_k 5.500 #02HUM/BER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 1.000Acetate- = Np(Acetate)+3 - log_k 5.830 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.83E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 2.000Acetate- = Np(Acetate)2+2 - log_k 10.000 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 - 3.000H+ + 1.000CO3-2 + 3.000H2O = Np(CO3)(OH)3- - log_k 3.820 #93ERI/NDA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.82E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 + 1.000CO3-2 = Np(CO3)+ - log_k 7.670 #Estimated by correlation with An(III) in function of ionic radii - delta_h 156.370 #kJ/mol - # Enthalpy of formation: -1046.044 #kJ/mol - -analytic 3.50648E+1 0E+0 -8.16776E+3 0E+0 0E+0 - -1.000Np+3 + 2.000CO3-2 = Np(CO3)2- - log_k 12.600 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 + 3.000CO3-2 = Np(CO3)3-3 - log_k 15.660 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.566E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 4.000CO3-2 = Np(CO3)4-4 - log_k 36.680 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.668E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 5.000CO3-2 = Np(CO3)5-6 - log_k 35.610 #01LEM/FUG - delta_h -1.612 #kJ/mol - # Enthalpy of formation: -3933.784 #kJ/mol - -analytic 3.53276E+1 0E+0 8.42005E+1 0E+0 0E+0 - -1.000Np+4 + 1.000Edta-4 = Np(Edta) - log_k 31.200 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.12E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 + 1.000Edta-4 = Np(Edta)- - log_k 19.900 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.99E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 - 2.000H+ + 2.000H2(PO4)- = Np(HPO4)2- - log_k -5.380 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.38E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 1.000NO3- = Np(NO3)+3 - log_k 1.900 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 + 1.000Nta-3 = Np(Nta) - log_k 13.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 1.000Nta-3 = Np(Nta)+ - log_k 20.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.07E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 2.000Nta-3 = Np(Nta)2-2 - log_k 36.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.63E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 - 1.000H+ + 1.000H2O = Np(OH)+2 - log_k -6.800 #01LEM/FUG - delta_h 77.089 #kJ/mol - # Enthalpy of formation: -735.925 #kJ/mol - -analytic 6.70539E+0 0E+0 -4.02663E+3 0E+0 0E+0 - -1.000Np+4 - 1.000H+ + 1.000H2O = Np(OH)+3 - log_k 0.550 #03GUI/FAN - delta_h 38.192 #kJ/mol - # Enthalpy of formation: -803.66 #kJ/mol - -analytic 7.24094E+0 0E+0 -1.9949E+3 0E+0 0E+0 - -1.000Np+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Np(OH)2(CO3)2-2 - log_k 15.170 #99RAI/HES2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.517E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 - 2.000H+ + 2.000H2O = Np(OH)2+ - log_k -17.000 #80ALL/KIP - delta_h 155.529 #kJ/mol - # Enthalpy of formation: -943.315 #kJ/mol - -analytic 1.02475E+1 0E+0 -8.12383E+3 0E+0 0E+0 - -1.000Np+4 - 2.000H+ + 2.000H2O = Np(OH)2+2 - log_k 0.350 #03GUI/FAN - delta_h 54.530 #kJ/mol - # Enthalpy of formation: -1073.152 #kJ/mol - -analytic 9.90323E+0 0E+0 -2.8483E+3 0E+0 0E+0 - -1.000Np+3 - 3.000H+ + 3.000H2O = Np(OH)3 - log_k -27.000 #80ALL/KIP - delta_h 235.824 #kJ/mol - # Enthalpy of formation: -1148.85 #kJ/mol - -analytic 1.43145E+1 0E+0 -1.23179E+4 0E+0 0E+0 - -1.000Np+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Np(OH)3(HGlu) - log_k 3.270 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Np(OH)3(HIsa) - log_k 3.270 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Np(OH)3(HIsa)2- - log_k 5.380 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.38E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 - 3.000H+ + 3.000H2O = Np(OH)3+ - log_k -2.800 #01NEC/KIM, 99NEC - delta_h 74.932 #kJ/mol - # Enthalpy of formation: -1338.58 #kJ/mol - -analytic 1.03275E+1 0E+0 -3.91397E+3 0E+0 0E+0 - -1.000Np+4 - 4.000H+ + 4.000H2O = Np(OH)4 - log_k -8.300 #03GUI/FAN - delta_h 101.442 #kJ/mol - # Enthalpy of formation: -1597.9 #kJ/mol - -analytic 9.47185E+0 0E+0 -5.29868E+3 0E+0 0E+0 - -1.000Np+4 - 4.000H+ + 1.000CO3-2 + 4.000H2O = Np(OH)4(CO3)-2 - log_k -6.830 #93ERI/NDA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.83E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Np(OH)4(HGlu)- - log_k -3.700 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Np(OH)4(HIsa)- - log_k -4.060 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.06E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Np(OH)4(HIsa)2-2 - log_k -2.200 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 1.000Ox-2 = Np(Ox)+2 - log_k 11.160 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.116E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 2.000Ox-2 = Np(Ox)2 - log_k 19.940 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.994E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 3.000Ox-2 = Np(Ox)3-2 - log_k 25.190 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.519E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 - 4.000H+ + 2.000H2(PO4)- = Np(PO4)2-3 - log_k -19.570 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.957E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 + 1.000SO4-2 = Np(SO4)+ - log_k 3.860 #Estimated by correlation with An(III) in function of ionic radii - delta_h 17.889 #kJ/mol - # Enthalpy of formation: -1418.638 #kJ/mol - -analytic 6.99401E+0 0E+0 -9.34406E+2 0E+0 0E+0 - -1.000Np+4 + 1.000SO4-2 = Np(SO4)+2 - log_k 6.850 #01LEM/FUG - delta_h 29.840 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -1435.522 #kJ/mol #01LEM/FUG - -analytic 1.20777E+1 0E+0 -1.55865E+3 0E+0 0E+0 - -1.000Np+4 + 2.000SO4-2 = Np(SO4)2 - log_k 11.050 #01LEM/FUG - delta_h 55.380 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -2319.322 #kJ/mol - -analytic 2.07521E+1 0E+0 -2.89269E+3 0E+0 0E+0 - -1.000Np+3 + 2.000SO4-2 = Np(SO4)2- - log_k 5.560 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.56E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 1.000Br- = NpBr+3 - log_k 1.550 #Estimated by correlation with An(IV) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.55E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 1.000Cl- = NpCl+3 - log_k 1.500 #01LEM/FUG - delta_h 24.173 #kJ/mol - # Enthalpy of formation: -698.929 #kJ/mol - -analytic 5.73492E+0 0E+0 -1.26264E+3 0E+0 0E+0 - -1.000Np+4 + 1.000F- = NpF+3 - log_k 8.960 #01LEM/FUG - delta_h 1.500 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -889.872 #kJ/mol - -analytic 9.22279E+0 0E+0 -7.83503E+1 0E+0 0E+0 - -1.000Np+4 + 2.000F- = NpF2+2 - log_k 15.700 #01LEM/FUG - delta_h 15.930 #kJ/mol - # Enthalpy of formation: -1210.792 #kJ/mol - -analytic 1.84908E+1 0E+0 -8.32081E+2 0E+0 0E+0 - -1.000Np+4 + 3.000F- = NpF3+ - log_k 20.050 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.005E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 4.000F- = NpF4 - log_k 25.950 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.595E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 - 1.000H+ + 1.000H2(PO4)- = NpHPO4+ - log_k -1.780 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.78E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+4 + 1.000I- = NpI+3 - log_k 1.500 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 1.000Acetate- = NpO2(Acetate) - log_k 1.320 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.32E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 2.000Acetate- = NpO2(Acetate)2- - log_k 3.420 #09TAK/TAK - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.42E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 3.000Acetate- = NpO2(Acetate)3-2 - log_k 3.570 #09TAK/TAK - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.57E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+2 + 1.000CO3-2 = NpO2(CO3) - log_k 9.320 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.32E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+2 - 2.000H+ + 1.000CO3-2 + 2.000H2O = NpO2(CO3)(OH)2-2 - log_k -7.690 #99CHO/BRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.69E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 1.000CO3-2 = NpO2(CO3)- - log_k 4.960 #01LEM/FUG - delta_h 59.904 #kJ/mol - # Enthalpy of formation: -1593.507 #kJ/mol - -analytic 1.54547E+1 0E+0 -3.129E+3 0E+0 0E+0 - -1.000NpO2+2 + 2.000CO3-2 = NpO2(CO3)2-2 - log_k 16.520 #01LEM/FUG - delta_h 13.776 #kJ/mol - # Enthalpy of formation: -2197.417 #kJ/mol - -analytic 1.89334E+1 0E+0 -7.1957E+2 0E+0 0E+0 - -1.000NpO2+ + 2.000CO3-2 = NpO2(CO3)2-3 - log_k 6.530 #01LEM/FUG - delta_h 39.027 #kJ/mol - # Enthalpy of formation: -2289.614 #kJ/mol - -analytic 1.33672E+1 0E+0 -2.03852E+3 0E+0 0E+0 - -1.000NpO2+ - 1.000H+ + 2.000CO3-2 + 1.000H2O = NpO2(CO3)2OH-4 - log_k -5.310 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.31E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+2 + 3.000CO3-2 = NpO2(CO3)3-4 - log_k 19.370 - delta_h -41.900 #kJ/mol - # Enthalpy of formation: -2928.323 #kJ/mol #01LEM/FUG - -analytic 1.20294E+1 0E+0 2.18859E+3 0E+0 0E+0 - -1.000NpO2+ + 3.000CO3-2 = NpO2(CO3)3-5 - log_k 5.500 - delta_h -13.249 #kJ/mol - # Enthalpy of formation: -3017.12 #kJ/mol #01LEM/FUG - -analytic 3.17888E+0 0E+0 6.92042E+2 0E+0 0E+0 - -1.000NpO2+ + 1.000Cit-3 = NpO2(Cit)-2 - log_k 3.680 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.68E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 1.000Edta-4 = NpO2(Edta)-3 - log_k 9.230 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.23E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 2.000H+ + 1.000Edta-4 = NpO2(H2Edta)- - log_k 22.510 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.251E+1 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 1.000H+ + 1.000Edta-4 = NpO2(HEdta)-2 - log_k 17.060 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.706E+1 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 1.000H+ + 1.000Nta-3 = NpO2(HNta)- - log_k 11.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.17E+1 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+2 - 1.000H+ + 1.000H2(PO4)- = NpO2(HPO4) - log_k -1.010 #01LEM/FUG - delta_h 92.209 #kJ/mol - # Enthalpy of formation: -2071.124 #kJ/mol - -analytic 1.51443E+1 0E+0 -4.8164E+3 0E+0 0E+0 - -1.000NpO2+2 - 2.000H+ + 2.000H2(PO4)- = NpO2(HPO4)2-2 - log_k -4.920 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.92E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+2 + 1.000NO3- = NpO2(NO3)+ - log_k 0.100 #12GRI/GAR2 in analogy to UO2(NO3)+ - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1E-1 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+2 + 1.000Nta-3 = NpO2(Nta)- - log_k 11.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 1.000Nta-3 = NpO2(Nta)-2 - log_k 7.460 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.46E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ - 1.000H+ + 1.000H2O = NpO2(OH) - log_k -11.300 #01LEM/FUG - delta_h 64.785 #kJ/mol - # Enthalpy of formation: -1199.226 #kJ/mol - -analytic 4.98281E-2 0E+0 -3.38395E+3 0E+0 0E+0 - -1.000NpO2+ - 1.000H+ + 1.000Nta-3 + 1.000H2O = NpO2(OH)(Nta)-3 - log_k -4.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+2 - 1.000H+ + 1.000H2O = NpO2(OH)+ - log_k -5.100 #01LEM/FUG - delta_h 42.957 #kJ/mol - # Enthalpy of formation: -1103.606 #kJ/mol - -analytic 2.42573E+0 0E+0 -2.2438E+3 0E+0 0E+0 - -1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 - log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ - 2.000H+ + 2.000H2O = NpO2(OH)2- - log_k -23.600 #01LEM/FUG - delta_h 118.610 #kJ/mol - # Enthalpy of formation: -1431.23 #kJ/mol - -analytic -2.82045E+0 0E+0 -6.19542E+3 0E+0 0E+0 - -1.000NpO2+ + 1.000Ox-2 = NpO2(Ox)- - log_k 3.900 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ + 2.000Ox-2 = NpO2(Ox)2-3 - log_k 5.800 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+2 + 1.000SO4-2 = NpO2(SO4) - log_k 3.280 #01LEM/FUG - delta_h 16.700 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -1753.373 #kJ/mol - -analytic 6.20571E+0 0E+0 -8.723E+2 0E+0 0E+0 - -1.000NpO2+ + 1.000SO4-2 = NpO2(SO4)- - log_k 0.440 #01LEM/FUG - delta_h 23.200 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -1864.321 #kJ/mol - -analytic 4.50446E+0 0E+0 -1.21182E+3 0E+0 0E+0 - -1.000NpO2+2 + 2.000SO4-2 = NpO2(SO4)2-2 - log_k 4.700 #01LEM/FUG - delta_h 26.000 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -2653.413 #kJ/mol - -analytic 9.255E+0 0E+0 -1.35807E+3 0E+0 0E+0 - -1.000NpO2+ + 1.000Cl- = NpO2Cl - log_k -0.930 #94NEC/KIM - delta_h 25.972 #kJ/mol - # Enthalpy of formation: -1119.289 #kJ/mol - -analytic 3.62009E+0 0E+0 -1.35661E+3 0E+0 0E+0 - -1.000NpO2+2 + 1.000Cl- = NpO2Cl+ - log_k 0.400 #01LEM/FUG - delta_h 8.387 #kJ/mol - # Enthalpy of formation: -1019.426 #kJ/mol - -analytic 1.86934E+0 0E+0 -4.38083E+2 0E+0 0E+0 - -1.000NpO2+ + 1.000F- = NpO2F - log_k 1.200 #01LEM/FUG - delta_h 40.768 #kJ/mol - # Enthalpy of formation: -1272.763 #kJ/mol - -analytic 8.34224E+0 0E+0 -2.12946E+3 0E+0 0E+0 - -1.000NpO2+2 + 1.000F- = NpO2F+ - log_k 4.570 #01LEM/FUG - delta_h 1.400 #kJ/mol - # Enthalpy of formation: -1194.683 #kJ/mol - -analytic 4.81527E+0 0E+0 -7.3127E+1 0E+0 0E+0 - -1.000NpO2+2 + 2.000F- = NpO2F2 - log_k 7.600 #01LEM/FUG - delta_h 4.321 #kJ/mol - # Enthalpy of formation: -1527.112 #kJ/mol - -analytic 8.35701E+0 0E+0 -2.25701E+2 0E+0 0E+0 - -1.000NpO2+2 + 1.000H2(PO4)- = NpO2H2PO4+ - log_k 3.320 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.32E+0 0E+0 0E+0 0E+0 0E+0 - -1.000NpO2+ - 1.000H+ + 1.000H2(PO4)- = NpO2HPO4- - log_k -4.260 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.26E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Np+3 - 2.000H+ + 1.000H2(PO4)- = NpPO4 - log_k -7.830 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.83E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000H2O = OH- - log_k -14.000 - delta_h 55.815 #kJ/mol - # Enthalpy of formation: -230.015 #kJ/mol #89COX/WAG - -analytic -4.22165E+0 0E+0 -2.91542E+3 0E+0 0E+0 - -- 2.000H+ + 1.000H2(PO4)- = PO4-3 - log_k -19.560 #89COX/WAG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1284.4 #kJ/mol #89COX/WAG - -analytic -1.956E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Pa+4 + 1.000H2O = Pa(OH)+3 - log_k 0.840 #76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.4E-1 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 1.000Pa+4 + 2.000H2O = Pa(OH)2+2 - log_k -0.020 #76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2E-2 0E+0 0E+0 0E+0 0E+0 - -- 3.000H+ + 1.000Pa+4 + 3.000H2O = Pa(OH)3+ - log_k -1.500 #76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000PaO2+ = PaO(OH)+2 - log_k 1.250 #Original data 03TRU/LEN and 04FOU/PER - delta_h -5.700 #kJ/mol #03TRU/LEN - # Enthalpy of formation: #kJ/mol - -analytic 2.51404E-1 0E+0 2.97731E+2 0E+0 0E+0 - -2.000H+ + 1.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)+ - log_k 5.130 #07GIA/TRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.13E+0 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 2.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)2- - log_k 8.240 #07GIA/TRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.24E+0 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 3.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)3-3 - log_k 9.830 #07GIA/TRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.83E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000PaO2+ + 1.000H2O = PaO2(OH) - log_k -7.000 #Original data 03TRU/LEN and 04FOU/PER - delta_h 61.000 #kJ/mol #03TRU/LEN - # Enthalpy of formation: #kJ/mol - -analytic 3.68673E+0 0E+0 -3.18625E+3 0E+0 0E+0 - -- 2.000H+ + 1.000PaO2+ + 2.000H2O = PaO2(OH)2- - log_k -16.400 #04FOU/PER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.64E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pb+2 + 1.000B(OH)4- = Pb(B(OH)4)+ - log_k 5.200 #80BAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pb+2 + 3.000B(OH)4- = Pb(B(OH)4)3- - log_k 11.180 #80BAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.118E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pb+2 + 1.000CO3-2 = Pb(CO3) - log_k 7.000 #06BLA/PIA - delta_h -3.015 #kJ/mol - # Enthalpy of formation: -677.325 #kJ/mol - -analytic 6.4718E+0 0E+0 1.57484E+2 0E+0 0E+0 - -1.000Pb+2 + 2.000CO3-2 = Pb(CO3)2-2 - log_k 10.130 #99LOT/OCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.013E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pb+2 + 1.000H2(PO4)- = Pb(H2PO4)+ - log_k 1.500 #74NRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pb+2 + 2.000HS- = Pb(HS)2 - log_k 15.010 #06BLA/PIA - delta_h -65.579 #kJ/mol - # Enthalpy of formation: -97.259 #kJ/mol - -analytic 3.52107E+0 0E+0 3.42542E+3 0E+0 0E+0 - -1.000Pb+2 + 3.000HS- = Pb(HS)3- - log_k 16.260 #06BLA/PIA - delta_h -73.328 #kJ/mol - # Enthalpy of formation: -121.308 #kJ/mol - -analytic 3.4135E+0 0E+0 3.83018E+3 0E+0 0E+0 - -1.000Pb+2 + 1.000NO3- = Pb(NO3)+ - log_k 1.060 #99LOT/OCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.06E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pb+2 + 2.000NO3- = Pb(NO3)2 - log_k 1.480 #99LOT/OCH - delta_h -11.012 #kJ/mol - # Enthalpy of formation: 401.768 #kJ/mol - -analytic -4.49217E-1 0E+0 5.75196E+2 0E+0 0E+0 - -1.000Pb+2 - 1.000H+ + 1.000H2O = Pb(OH)+ - log_k -7.510 #99LOT/OCH - delta_h 53.920 #kJ/mol - # Enthalpy of formation: -230.99 #kJ/mol - -analytic 1.93636E+0 0E+0 -2.81643E+3 0E+0 0E+0 - -1.000Pb+2 - 2.000H+ + 2.000H2O = Pb(OH)2 - log_k -16.950 #99LOT/OCH - delta_h 97.824 #kJ/mol - # Enthalpy of formation: -472.916 #kJ/mol - -analytic 1.88004E-1 0E+0 -5.1097E+3 0E+0 0E+0 - -1.000Pb+2 - 3.000H+ + 3.000H2O = Pb(OH)3- - log_k -27.200 #01PER/HEF - delta_h 130.485 #kJ/mol - # Enthalpy of formation: -726.085 #kJ/mol - -analytic -4.34004E+0 0E+0 -6.8157E+3 0E+0 0E+0 - -1.000Pb+2 - 4.000H+ + 4.000H2O = Pb(OH)4-2 - log_k -38.900 #01PER/HEF - delta_h 197.474 #kJ/mol - # Enthalpy of formation: -944.926 #kJ/mol - -analytic -4.30409E+0 0E+0 -1.03148E+4 0E+0 0E+0 - -1.000Pb+2 + 1.000SO4-2 = Pb(SO4) - log_k 2.820 #99LOT/OCH - delta_h 6.861 #kJ/mol - # Enthalpy of formation: -901.559 #kJ/mol - -analytic 4.02199E+0 0E+0 -3.58374E+2 0E+0 0E+0 - -1.000Pb+2 + 2.000SO4-2 = Pb(SO4)2-2 - log_k 3.470 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.47E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pb+2 + 1.000SeO3-2 = Pb(SeO3) - log_k 5.730 #01SEB/POT2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.73E+0 0E+0 0E+0 0E+0 0E+0 - -2.000Pb+2 - 1.000H+ + 1.000H2O = Pb2(OH)+3 - log_k -7.180 #99LOT/OCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.18E+0 0E+0 0E+0 0E+0 0E+0 - -4.000Pb+2 - 4.000H+ + 4.000H2O = Pb4(OH)4+4 - log_k -20.630 #99LOT/OCH - delta_h 82.038 #kJ/mol - # Enthalpy of formation: -1057.602 #kJ/mol - -analytic -6.25758E+0 0E+0 -4.28514E+3 0E+0 0E+0 - -6.000Pb+2 - 8.000H+ + 8.000H2O = Pb6(OH)8+4 - log_k -42.680 #99LOT/OCH - delta_h 192.157 #kJ/mol - # Enthalpy of formation: -2088.963 #kJ/mol - -analytic -9.01559E+0 0E+0 -1.0037E+4 0E+0 0E+0 - -1.000Pb+2 + 1.000Br- = PbBr+ - log_k 1.700 #82HÖG - delta_h 4.228 #kJ/mol - # Enthalpy of formation: -116.262 #kJ/mol - -analytic 2.44071E+0 0E+0 -2.20843E+2 0E+0 0E+0 - -1.000Pb+2 + 2.000Br- = PbBr2 - log_k 1.900 #82HÖG - delta_h 10.991 #kJ/mol - # Enthalpy of formation: -230.909 #kJ/mol - -analytic 3.82554E+0 0E+0 -5.74099E+2 0E+0 0E+0 - -1.000Pb+2 + 3.000Br- = PbBr3- - log_k 2.900 #82HÖG - delta_h 10.653 #kJ/mol - # Enthalpy of formation: -352.657 #kJ/mol - -analytic 4.76632E+0 0E+0 -5.56444E+2 0E+0 0E+0 - -1.000Pb+2 + 1.000Cl- = PbCl+ - log_k 1.440 #97SVE/SHO - delta_h 4.318 #kJ/mol - # Enthalpy of formation: -161.842 #kJ/mol - -analytic 2.19648E+0 0E+0 -2.25545E+2 0E+0 0E+0 - -1.000Pb+2 + 2.000Cl- = PbCl2 - log_k 2.000 #97SVE/SHO - delta_h 7.949 #kJ/mol - # Enthalpy of formation: -325.291 #kJ/mol - -analytic 3.3926E+0 0E+0 -4.15205E+2 0E+0 0E+0 - -1.000Pb+2 + 3.000Cl- = PbCl3- - log_k 1.690 #97SVE/SHO - delta_h 7.813 #kJ/mol - # Enthalpy of formation: -492.507 #kJ/mol - -analytic 3.05878E+0 0E+0 -4.08101E+2 0E+0 0E+0 - -1.000Pb+2 + 4.000Cl- = PbCl4-2 - log_k 1.400 #97SVE/SHO - delta_h 1.323 #kJ/mol - # Enthalpy of formation: -666.077 #kJ/mol - -analytic 1.63178E+0 0E+0 -6.9105E+1 0E+0 0E+0 - -1.000Pb+2 + 1.000F- = PbF+ - log_k 2.270 #99LOT/OCH - delta_h -4.054 #kJ/mol - # Enthalpy of formation: -338.484 #kJ/mol - -analytic 1.55977E+0 0E+0 2.11755E+2 0E+0 0E+0 - -1.000Pb+2 + 2.000F- = PbF2 - log_k 3.010 #99LOT/OCH - delta_h -8.881 #kJ/mol - # Enthalpy of formation: -678.661 #kJ/mol - -analytic 1.45412E+0 0E+0 4.63886E+2 0E+0 0E+0 - -1.000Pb+2 - 1.000H+ + 1.000H2(PO4)- = PbHPO4 - log_k -4.110 #74NRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.11E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pb+2 + 1.000I- = PbI+ - log_k 1.980 #82HÖG - delta_h 3.874 #kJ/mol - # Enthalpy of formation: -51.986 #kJ/mol - -analytic 2.65869E+0 0E+0 -2.02353E+2 0E+0 0E+0 - -1.000Pb+2 + 2.000I- = PbI2 - log_k 3.150 #82HÖG - delta_h 7.106 #kJ/mol - # Enthalpy of formation: -105.534 #kJ/mol - -analytic 4.39492E+0 0E+0 -3.71172E+2 0E+0 0E+0 - -1.000Pb+2 + 3.000I- = PbI3- - log_k 3.810 #82HÖG - delta_h 3.163 #kJ/mol - # Enthalpy of formation: -166.257 #kJ/mol - -analytic 4.36413E+0 0E+0 -1.65215E+2 0E+0 0E+0 - -1.000Pb+2 + 4.000I- = PbI4-2 - log_k 3.750 #82HÖG - delta_h -15.561 #kJ/mol - # Enthalpy of formation: -241.761 #kJ/mol - -analytic 1.02383E+0 0E+0 8.12806E+2 0E+0 0E+0 - -1.000Pb+2 + 1.000Pyrophos-4 = PbPyrophos-2 - log_k 8.330 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.33E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pd+2 + 1.000CO3-2 = Pd(CO3) - log_k 6.830 #87BRO/WAN - delta_h -8.829 #kJ/mol - # Enthalpy of formation: -494.175 #kJ/mol - -analytic 5.28323E+0 0E+0 4.6117E+2 0E+0 0E+0 - -1.000Pd+2 + 2.000CO3-2 = Pd(CO3)2-2 - log_k 12.530 #87BRO/WAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.253E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pd+2 + 1.000NH3 = Pd(NH3)+2 - log_k 9.600 #68RAS/JOR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pd+2 + 2.000NH3 = Pd(NH3)2+2 - log_k 18.500 #68RAS/JOR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.85E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pd+2 + 3.000NH3 = Pd(NH3)3+2 - log_k 26.000 #68RAS/JOR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.6E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pd+2 + 4.000NH3 = Pd(NH3)4+2 - log_k 32.800 #68RAS/JOR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.28E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Pd+2 + 1.000H2O = Pd(OH)+ - log_k -1.860 #70NAB/KAL - delta_h 11.900 #kJ/mol - # Enthalpy of formation: -84.047 #kJ/mol - -analytic 2.24787E-1 0E+0 -6.21579E+2 0E+0 0E+0 - -- 2.000H+ + 1.000Pd+2 + 2.000H2O = Pd(OH)2 - log_k -3.790 #70NAB/KAL - delta_h 15.293 #kJ/mol - # Enthalpy of formation: -366.483 #kJ/mol - -analytic -1.11079E+0 0E+0 -7.98808E+2 0E+0 0E+0 - -- 3.000H+ + 1.000Pd+2 + 3.000H2O = Pd(OH)3- - log_k -15.930 #70NAB/KAL - delta_h 54.863 #kJ/mol - # Enthalpy of formation: -612.744 #kJ/mol - -analytic -6.31843E+0 0E+0 -2.86569E+3 0E+0 0E+0 - -- 4.000H+ + 1.000Pd+2 + 4.000H2O = Pd(OH)4-2 - log_k -29.360 #70NAB/KAL - delta_h 118.563 #kJ/mol - # Enthalpy of formation: -834.874 #kJ/mol - -analytic -8.58868E+0 0E+0 -6.19297E+3 0E+0 0E+0 - -1.000Pd+2 + 1.000SO4-2 = Pd(SO4) - log_k 2.910 #87BRO/WAN - delta_h 4.596 #kJ/mol - # Enthalpy of formation: -714.86 #kJ/mol - -analytic 3.71518E+0 0E+0 -2.40065E+2 0E+0 0E+0 - -1.000Pd+2 + 2.000SO4-2 = Pd(SO4)2-2 - log_k 4.170 #82HOG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.17E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pd+2 + 1.000Br- = PdBr+ - log_k 5.770 #72ELD - delta_h -30.140 #kJ/mol - # Enthalpy of formation: 38.344 #kJ/mol - -analytic 4.89706E-1 0E+0 1.57432E+3 0E+0 0E+0 - -1.000Pd+2 + 2.000Br- = PdBr2 - log_k 10.060 #72ELD - delta_h -57.708 #kJ/mol - # Enthalpy of formation: -110.645 #kJ/mol - -analytic -4.99928E-2 0E+0 3.01429E+3 0E+0 0E+0 - -1.000Pd+2 + 3.000Br- = PdBr3- - log_k 13.750 #72ELD - delta_h -92.385 #kJ/mol - # Enthalpy of formation: -266.731 #kJ/mol - -analytic -2.43513E+0 0E+0 4.8256E+3 0E+0 0E+0 - -1.000Pd+2 + 4.000Br- = PdBr4-2 - log_k 15.110 #72ELD - delta_h -126.683 #kJ/mol - # Enthalpy of formation: -422.439 #kJ/mol - -analytic -7.08388E+0 0E+0 6.6171E+3 0E+0 0E+0 - -1.000Pd+2 + 1.000Cl- = PdCl+ - log_k 5.100 #99LOT/OCH - delta_h -24.542 #kJ/mol - # Enthalpy of formation: -1.739 #kJ/mol - -analytic 8.00432E-1 0E+0 1.28192E+3 0E+0 0E+0 - -1.000Pd+2 + 2.000Cl- = PdCl2 - log_k 8.300 #99LOT/OCH - delta_h -47.297 #kJ/mol - # Enthalpy of formation: -191.573 #kJ/mol - -analytic 1.39334E-2 0E+0 2.47049E+3 0E+0 0E+0 - -- 1.000H+ + 1.000Pd+2 + 3.000Cl- + 1.000H2O = PdCl3(OH)-2 - log_k 2.310 #00BYR/YAO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.31E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pd+2 + 3.000Cl- = PdCl3- - log_k 10.900 #99LOT/OCH - delta_h -77.344 #kJ/mol - # Enthalpy of formation: -388.7 #kJ/mol - -analytic -2.65007E+0 0E+0 4.03995E+3 0E+0 0E+0 - -1.000Pd+2 + 4.000Cl- = PdCl4-2 - log_k 11.700 #99LOT/OCH - delta_h -112.469 #kJ/mol - # Enthalpy of formation: -590.906 #kJ/mol - -analytic -8.00369E+0 0E+0 5.87466E+3 0E+0 0E+0 - -1.000Pd+2 + 1.000I- = PdI+ - log_k 10.400 #89BAE/McK - delta_h -58.201 #kJ/mol - # Enthalpy of formation: 74.902 #kJ/mol - -analytic 2.03637E-1 0E+0 3.04005E+3 0E+0 0E+0 - -1.000Pd+2 + 2.000I- = PdI2 - log_k 14.500 #97BOU - delta_h -83.420 #kJ/mol - # Enthalpy of formation: -7.096 #kJ/mol - -analytic -1.14535E-1 0E+0 4.35732E+3 0E+0 0E+0 - -1.000Pd+2 + 3.000I- = PdI3- - log_k 18.600 #97BOU - delta_h -121.750 #kJ/mol - # Enthalpy of formation: -102.207 #kJ/mol - -analytic -2.72965E+0 0E+0 6.35944E+3 0E+0 0E+0 - -1.000Pd+2 + 4.000I- = PdI4-2 - log_k 24.640 - delta_h -190.052 #kJ/mol - # Enthalpy of formation: -227.288 #kJ/mol - -analytic -8.65563E+0 0E+0 9.92709E+3 0E+0 0E+0 - -1.000Pu+3 + 1.000Acetate- = Pu(Acetate)+2 - log_k 2.850 #69MOS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.85E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 1.000Acetate- = Pu(Acetate)+3 - log_k 5.930 #62SCH/NEB - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 2.000Acetate- = Pu(Acetate)2+ - log_k 5.060 #69MOS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.06E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 2.000Acetate- = Pu(Acetate)2+2 - log_k 10.090 #62SCH/NEB - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.009E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 3.000Acetate- = Pu(Acetate)3 - log_k 6.570 #69MOS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.57E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 1.000CO3-2 = Pu(CO3)+ - log_k 7.640 #Estimated by correlation with An(III) in function of ionic radii - delta_h 152.754 #kJ/mol - # Enthalpy of formation: -1114.266 #kJ/mol - -analytic 3.44013E+1 0E+0 -7.97889E+3 0E+0 0E+0 - -1.000Pu+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Pu(CO3)2(OH)2-2 - log_k 16.760 #99RAI/HES1 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.676E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 2.000CO3-2 = Pu(CO3)2- - log_k 12.540 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.254E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 3.000CO3-2 = Pu(CO3)3-3 - log_k 16.400 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.64E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 4.000CO3-2 = Pu(CO3)4-4 - log_k 37.000 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.7E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 5.000CO3-2 = Pu(CO3)5-6 - log_k 35.650 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.565E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 1.000Edta-4 = Pu(Edta) - log_k 31.800 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.18E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 1.000Edta-4 = Pu(Edta)- - log_k 20.180 #05HUM/AND - delta_h -8.700 #kJ/mol - # Enthalpy of formation: -2305.29 #kJ/mol - -analytic 1.86558E+1 0E+0 4.54432E+2 0E+0 0E+0 - -1.000Pu+3 + 1.000H2(PO4)- = Pu(H2PO4)+2 - log_k 2.200 #10RAI/MOO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 1.000H+ + 1.000Edta-4 = Pu(HEdta) - log_k 22.020 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.202E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 - 1.000H+ + 1.000H2(PO4)- = Pu(HPO4)+ - log_k -1.820 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.82E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 - 2.000H+ + 2.000H2(PO4)- = Pu(HPO4)2- - log_k -5.460 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.46E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 1.000NO3- = Pu(NO3)+2 - log_k 1.330 #95SIL/BID, LogK selected in analogy to Am (NEA recommendation 95SIL/BID) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 1.000NO3- = Pu(NO3)+3 - log_k 1.950 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.95E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 1.000Nta-3 = Pu(Nta) - log_k 13.100 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.31E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 1.000Nta-3 = Pu(Nta)+ - log_k 21.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.1E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 - 1.000H+ + 1.000H2O = Pu(OH)+2 - log_k -6.900 #01LEM/FUG - delta_h 78.274 #kJ/mol - # Enthalpy of formation: -799.346 #kJ/mol - -analytic 6.813E+0 0E+0 -4.08853E+3 0E+0 0E+0 - -1.000Pu+4 - 1.000H+ + 1.000H2O = Pu(OH)+3 - log_k 0.600 #99NEC, 01NEC/KIM, 03GUI/FAN - delta_h 36.000 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -789.725 #kJ/mol - -analytic 6.90692E+0 0E+0 -1.88041E+3 0E+0 0E+0 - -1.000Pu+3 - 2.000H+ + 2.000H2O = Pu(OH)2+ - log_k -15.900 #80ALL/KIP - delta_h 150.342 #kJ/mol - # Enthalpy of formation: -1013.108 #kJ/mol - -analytic 1.04387E+1 0E+0 -7.8529E+3 0E+0 0E+0 - -1.000Pu+4 - 2.000H+ + 2.000H2O = Pu(OH)2+2 - log_k 0.600 #99NEC, 01NEC/KIM, 03GUI/FAN - delta_h 49.569 #kJ/mol - # Enthalpy of formation: -1061.986 #kJ/mol - -analytic 9.2841E+0 0E+0 -2.58917E+3 0E+0 0E+0 - -1.000Pu+3 - 3.000H+ + 3.000H2O = Pu(OH)3 - log_k -25.300 #80ALL/KIP - delta_h 227.540 #kJ/mol - # Enthalpy of formation: -1221.74 #kJ/mol - -analytic 1.45632E+1 0E+0 -1.18852E+4 0E+0 0E+0 - -1.000Pu+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Pu(OH)3(HGlu) - log_k 4.750 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.75E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Pu(OH)3(HIsa) - log_k 4.750 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.75E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Pu(OH)3(HIsa)2- - log_k 6.860 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.86E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 - 3.000H+ + 3.000H2O = Pu(OH)3+ - log_k -2.300 #99NEC, 01NEC/KIM, 03GUI/FAN - delta_h 68.543 #kJ/mol - # Enthalpy of formation: -1328.842 #kJ/mol - -analytic 9.7082E+0 0E+0 -3.58024E+3 0E+0 0E+0 - -1.000Pu+4 - 4.000H+ + 4.000H2O = Pu(OH)4 - log_k -8.500 #03GUI/FAN - delta_h 99.049 #kJ/mol - # Enthalpy of formation: -1584.166 #kJ/mol - -analytic 8.85261E+0 0E+0 -5.17368E+3 0E+0 0E+0 - -1.000Pu+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Pu(OH)4(HGlu)- - log_k -2.700 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Pu(OH)4(HIsa)- - log_k -3.600 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Pu(OH)4(HIsa)2-2 - log_k 0.700 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 1.000Ox-2 = Pu(Ox)+2 - log_k 11.400 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.14E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 2.000Ox-2 = Pu(Ox)2 - log_k 20.600 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 2.000Ox-2 = Pu(Ox)2- - log_k 10.620 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.062E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 3.000Ox-2 = Pu(Ox)3-2 - log_k 25.690 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.569E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 3.000Ox-2 = Pu(Ox)3-3 - log_k 13.220 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.322E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 - 4.000H+ + 2.000H2(PO4)- = Pu(PO4)2-3 - log_k -19.730 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.973E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 1.000SO4-2 = Pu(SO4)+ - log_k 3.910 #01LEM/FUG - delta_h 17.240 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -1483.89 #kJ/mol - -analytic 6.93031E+0 0E+0 -9.00507E+2 0E+0 0E+0 - -1.000Pu+4 + 1.000SO4-2 = Pu(SO4)+2 - log_k 6.890 #01LEM/FUG - delta_h 13.753 #kJ/mol - # Enthalpy of formation: -1435.482 #kJ/mol - -analytic 9.29942E+0 0E+0 -7.18368E+2 0E+0 0E+0 - -1.000Pu+4 + 2.000SO4-2 = Pu(SO4)2 - log_k 11.140 #01LEM/FUG - delta_h 43.906 #kJ/mol - # Enthalpy of formation: -2314.669 #kJ/mol - -analytic 1.8832E+1 0E+0 -2.29337E+3 0E+0 0E+0 - -1.000Pu+3 + 2.000SO4-2 = Pu(SO4)2- - log_k 5.700 #01LEM/FUG - delta_h 11.880 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -2398.59 #kJ/mol - -analytic 7.78128E+0 0E+0 -6.20535E+2 0E+0 0E+0 - -1.000Pu+4 + 1.000Br- = PuBr+3 - log_k 1.600 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 1.000Cl- = PuCl+3 - log_k 1.800 #01LEM/FUG - delta_h 19.820 #kJ/mol - # Enthalpy of formation: -687.155 #kJ/mol - -analytic 5.27231E+0 0E+0 -1.03527E+3 0E+0 0E+0 - -1.000Pu+4 + 1.000F- = PuF+3 - log_k 8.840 #01LEM/FUG - delta_h 9.100 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -866.145 #kJ/mol - -analytic 1.04342E+1 0E+0 -4.75325E+2 0E+0 0E+0 - -1.000Pu+4 + 2.000F- = PuF2+2 - log_k 15.700 #01LEM/FUG - delta_h 11.000 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -1199.595 #kJ/mol - -analytic 1.76271E+1 0E+0 -5.74569E+2 0E+0 0E+0 - -1.000Pu+4 + 3.000F- = PuF3+ - log_k 20.110 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.011E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 1.000H+ + 1.000H2(PO4)- = PuH3PO4+4 - log_k 4.540 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.54E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 + 1.000I- = PuI+2 - log_k 1.100 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+4 + 1.000I- = PuI+3 - log_k 1.620 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.62E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 1.000Acetate- = PuO2(Acetate)+ - log_k 2.870 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.87E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 2.000Acetate- = PuO2(Acetate)2 - log_k 4.770 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.77E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 3.000Acetate- = PuO2(Acetate)3- - log_k 6.190 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.19E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 1.000CO3-2 = PuO2(CO3) - log_k 9.500 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 2.000CO3-2 = PuO2(CO3)2-2 - log_k 14.700 #03GUI/FAN - delta_h -27.000 #kJ/mol #03GUI/FAN - # Enthalpy of formation: -2199.496 #kJ/mol - -analytic 9.96981E+0 0E+0 1.41031E+3 0E+0 0E+0 - -1.000PuO2+2 + 3.000CO3-2 = PuO2(CO3)3-4 - log_k 18.000 #03GUI/FAN - delta_h -38.600 #kJ/mol #03GUI/FAN - # Enthalpy of formation: -2886.326 #kJ/mol - -analytic 1.12376E+1 0E+0 2.01622E+3 0E+0 0E+0 - -1.000PuO2+ + 3.000CO3-2 = PuO2(CO3)3-5 - log_k 5.030 - delta_h -19.110 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -2954.927 #kJ/mol - -analytic 1.68208E+0 0E+0 9.98183E+2 0E+0 0E+0 - -2.000UO2+2 + 1.000PuO2+2 + 6.000CO3-2 = PuO2(CO3)6(UO2)2-6 - log_k 53.480 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.348E+1 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+ - 1.000H+ + 1.000H2(PO4)- = PuO2(HPO4)- - log_k -4.860 #NEA Guidelines in 01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.86E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 1.000Nta-3 = PuO2(Nta)- - log_k 11.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+ + 1.000Nta-3 = PuO2(Nta)-2 - log_k 7.500 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 - 1.000H+ + 1.000H2O = PuO2(OH)+ - log_k -5.500 #01LEM/FUG - delta_h 28.000 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -1079.866 #kJ/mol - -analytic -5.94618E-1 0E+0 -1.46254E+3 0E+0 0E+0 - -1.000PuO2+2 - 2.000H+ + 2.000H2O = PuO2(OH)2 - log_k -13.200 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.32E+1 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 - 1.000H+ + 1.000H4(SiO4) = PuO2(OSi(OH)3)+ - log_k -3.640 #03YUS/FED - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.64E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 1.000Ox-2 = PuO2(Ox) - log_k 7.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 2.000Ox-2 = PuO2(Ox)2-2 - log_k 10.500 #73POR/DEP in 95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.05E+1 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 1.000Phthalat-2 = PuO2(Phthalat) - log_k 5.760 #11GRI/COL3 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.76E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 1.000SO4-2 = PuO2(SO4) - log_k 3.380 #01LEM/FUG - delta_h 16.100 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -1715.276 #kJ/mol - -analytic 6.20059E+0 0E+0 -8.4096E+2 0E+0 0E+0 - -1.000PuO2+ + 1.000SO4-2 = PuO2(SO4)- - log_k 0.440 #Duro et al. (2006), In analogy to NpO2(SO4)- - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.4E-1 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 2.000SO4-2 = PuO2(SO4)2-2 - log_k 4.400 #01LEM/FUG - delta_h 43.000 #kJ/mol #01LEM/FUG - # Enthalpy of formation: -2597.716 #kJ/mol - -analytic 1.19333E+1 0E+0 -2.24604E+3 0E+0 0E+0 - -1.000PuO2+ + 1.000CO3-2 = PuO2CO3- - log_k 5.120 #01LEM/FUG - delta_h 44.874 #kJ/mol - # Enthalpy of formation: -1540.483 #kJ/mol - -analytic 1.29816E+1 0E+0 -2.34393E+3 0E+0 0E+0 - -1.000PuO2+2 + 1.000Cl- = PuO2Cl+ - log_k 0.230 #03GUI/FAN - delta_h 4.187 #kJ/mol - # Enthalpy of formation: -984.929 #kJ/mol - -analytic 9.6353E-1 0E+0 -2.18702E+2 0E+0 0E+0 - -1.000PuO2+2 + 2.000Cl- = PuO2Cl2 - log_k -1.150 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.15E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+ + 1.000F- = PuO2F - log_k 1.200 #In analogy to NpO2)F - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.2E+0 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+2 + 1.000F- = PuO2F+ - log_k 4.560 #01LEM/FUG - delta_h -3.653 #kJ/mol - # Enthalpy of formation: -1161.039 #kJ/mol - -analytic 3.92002E+0 0E+0 1.90809E+2 0E+0 0E+0 - -1.000PuO2+2 + 2.000F- = PuO2F2 - log_k 7.250 #01LEM/FUG - delta_h 1.208 #kJ/mol - # Enthalpy of formation: -1491.528 #kJ/mol - -analytic 7.46163E+0 0E+0 -6.30981E+1 0E+0 0E+0 - -1.000PuO2+2 + 3.000F- = PuO2F3- - log_k 9.590 #85SAW/CHA - delta_h 2.401 #kJ/mol - # Enthalpy of formation: -1825.685 #kJ/mol - -analytic 1.00106E+1 0E+0 -1.25413E+2 0E+0 0E+0 - -1.000PuO2+2 + 1.000NO3- = PuO2NO3+ - log_k 0.100 #12GRI/GAR1 (LogK selected in analogy to U (NEA recommendation), logK(UO2NO3 +)) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1E-1 0E+0 0E+0 0E+0 0E+0 - -1.000PuO2+ - 1.000H+ + 1.000H2O = PuO2OH - log_k -11.300 #01LEM/FUG - delta_h 71.826 #kJ/mol - # Enthalpy of formation: -1124.131 #kJ/mol - -analytic 1.28336E+0 0E+0 -3.75173E+3 0E+0 0E+0 - -1.000Pu+3 + 1.000Ox-2 = PuOx+ - log_k 6.490 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.49E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Pu+3 - 2.000H+ + 1.000H2(PO4)- = PuPO4 - log_k -7.920 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.92E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Ra+2 + 1.000CO3-2 = Ra(CO3) - log_k 2.500 #99SCH - delta_h 4.496 #kJ/mol - # Enthalpy of formation: -1198.76 #kJ/mol - -analytic 3.28766E+0 0E+0 -2.34842E+2 0E+0 0E+0 - -1.000H+ + 1.000Ra+2 + 1.000CO3-2 = Ra(HCO3)+ - log_k 10.920 #02ILE/TWE - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.092E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Ra+2 + 1.000H2O = Ra(OH)+ - log_k -13.490 - delta_h 60.417 #kJ/mol #85LAN/RIE - # Enthalpy of formation: -753.438 #kJ/mol - -analytic -2.90541E+0 0E+0 -3.1558E+3 0E+0 0E+0 - -- 2.000H+ + 1.000Ra+2 + 2.000H2O = Ra(OH)2 - log_k -28.070 - delta_h 112.197 #kJ/mol - # Enthalpy of formation: -987.488 #kJ/mol - -analytic -8.41396E+0 0E+0 -5.86045E+3 0E+0 0E+0 - -1.000Ra+2 + 1.000SO4-2 = Ra(SO4) - log_k 2.760 - delta_h 5.481 #kJ/mol - # Enthalpy of formation: -1431.884 #kJ/mol - -analytic 3.72023E+0 0E+0 -2.86292E+2 0E+0 0E+0 - -1.000Ra+2 + 1.000Cl- = RaCl+ - log_k -0.100 #85LAN/RIE - delta_h 2.479 #kJ/mol - # Enthalpy of formation: -692.626 #kJ/mol - -analytic 3.34302E-1 0E+0 -1.29487E+2 0E+0 0E+0 - -1.000Ra+2 + 2.000Cl- = RaCl2 - log_k -0.100 - delta_h 0.496 #kJ/mol - # Enthalpy of formation: -861.689 #kJ/mol - -analytic -1.31047E-2 0E+0 -2.59078E+1 0E+0 0E+0 - -1.000Ra+2 + 1.000F- = RaF+ - log_k 0.480 #87BRO/WAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.8E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Br- + 1.000Rb+ = RbBr - log_k -1.240 - delta_h 13.836 #kJ/mol - # Enthalpy of formation: -358.694 #kJ/mol #97SVE/SHO - -analytic 1.18396E+0 0E+0 -7.22704E+2 0E+0 0E+0 - -1.000Cl- + 1.000Rb+ = RbCl - log_k -1.010 - delta_h 13.189 #kJ/mol - # Enthalpy of formation: -405.011 #kJ/mol #97SVE/SHO - -analytic 1.30061E+0 0E+0 -6.88908E+2 0E+0 0E+0 - -1.000F- + 1.000Rb+ = RbF - log_k 0.940 - delta_h 1.923 #kJ/mol - # Enthalpy of formation: -584.547 #kJ/mol #97SVE/SHO - -analytic 1.27689E+0 0E+0 -1.00445E+2 0E+0 0E+0 - -1.000I- + 1.000Rb+ = RbI - log_k -0.840 - delta_h 6.987 #kJ/mol - # Enthalpy of formation: -300.913 #kJ/mol #97SVE/SHO - -analytic 3.84068E-1 0E+0 -3.64956E+2 0E+0 0E+0 - -- 1.000H+ + 1.000Rb+ + 1.000H2O = RbOH - log_k -14.260 - delta_h 64.158 #kJ/mol - # Enthalpy of formation: -472.792 #kJ/mol #97SHO/SAS2 - -analytic -3.02002E+0 0E+0 -3.3512E+3 0E+0 0E+0 - -- 1.000H+ + 1.000HS- = S-2 - log_k -17.100 #04CHI - delta_h 73.278 #kJ/mol - # Enthalpy of formation: 56.978 #kJ/mol - -analytic -4.26226E+0 0E+0 -3.82757E+3 0E+0 0E+0 - -2.000HS- - 1.000H2O + 0.500O2 = S2-2 - log_k 32.450 - delta_h -212.123 #kJ/mol - # Enthalpy of formation: 35.04 #kJ/mol #04CHI - -analytic -4.7123E+0 0E+0 1.10799E+4 0E+0 0E+0 - -2.000H+ + 2.000SO3-2 - 1.000H2O = S2O5-2 - log_k 12.850 #85GOL/PAR - delta_h 2.606 #kJ/mol - # Enthalpy of formation: -973.684 #kJ/mol - -analytic 1.33066E+1 0E+0 -1.36121E+2 0E+0 0E+0 - -2.000SO4-2 - 1.000H2O + 2.000H+ + 0.500O2 = S2O8-2 - log_k -22.390 - delta_h 194.217 #kJ/mol - # Enthalpy of formation: -1344.7 #kJ/mol #82WAG/EVA - -analytic 1.16353E+1 0E+0 -1.01446E+4 0E+0 0E+0 - -1.000H+ + 3.000HS- - 2.000H2O + 1.000O2 = S3-2 - log_k 79.470 - delta_h -484.686 #kJ/mol - # Enthalpy of formation: 25.94 #kJ/mol #74NAU/RYZ - -analytic -5.44322E+0 0E+0 2.53169E+4 0E+0 0E+0 - -4.000H+ + 3.000SO3-2 - 2.000H2O - 0.500O2 = S3O6-2 - log_k -6.170 - delta_h 148.117 #kJ/mol - # Enthalpy of formation: -1167.336 #kJ/mol #04CHI - -analytic 1.97789E+1 0E+0 -7.73668E+3 0E+0 0E+0 - -2.000H+ + 4.000HS- - 3.000H2O + 1.500O2 = S4-2 - log_k 125.390 - delta_h -751.079 #kJ/mol - # Enthalpy of formation: 23.01 #kJ/mol #74NAU/RYZ - -analytic -6.1932E+0 0E+0 3.92315E+4 0E+0 0E+0 - -6.000H+ + 4.000SO3-2 - 3.000H2O - 1.500O2 = S4O6-2 - log_k -38.170 - delta_h 424.311 #kJ/mol - # Enthalpy of formation: -1224.238 #kJ/mol #04CHI - -analytic 3.6166E+1 0E+0 -2.21633E+4 0E+0 0E+0 - -3.000H+ + 5.000HS- - 4.000H2O + 2.000O2 = S5-2 - log_k 171.090 - delta_h -1016.212 #kJ/mol - # Enthalpy of formation: 21.34 #kJ/mol #74NAU/RYZ - -analytic -6.94244E+0 0E+0 5.30804E+4 0E+0 0E+0 - -8.000H+ + 5.000SO3-2 - 4.000H2O - 2.500O2 = S5O6-2 - log_k -99.570 - delta_h 805.941 #kJ/mol - # Enthalpy of formation: -1175.704 #kJ/mol #04CHI - -analytic 4.16246E+1 0E+0 -4.20972E+4 0E+0 0E+0 - -2.000H+ + 1.000SO3-2 - 1.000H2O = SO2 - log_k 9.030 - delta_h 21.450 #kJ/mol - # Enthalpy of formation: -323.78 #kJ/mol #85GOL/PAR - -analytic 1.27879E+1 0E+0 -1.12041E+3 0E+0 0E+0 - -2.000H+ + 1.000Sb(OH)3 - 2.000H2O = Sb(OH)+2 - log_k 0.740 #99LOT/OCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.4E-1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Sb(OH)3 - 1.000H2O = Sb(OH)2+ - log_k 1.330 #77ANT/NEV and others recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Sb(OH)5 - 1.000H2O = Sb(OH)4+ - log_k -3.260 #57PIT/POU in 99LOT/OCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.26E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Sb(OH)3 + 1.000H2O = Sb(OH)4- - log_k -11.820 #52GAY/GAR recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.182E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Sb(OH)5 + 1.000H2O = Sb(OH)6- - log_k -2.720 #63LEF/MAR in 76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.72E+0 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 1.000Sb(OH)3 - 3.000H2O = Sb+3 - log_k -0.730 #99LOT/OCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.3E-1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 12.000Sb(OH)5 + 4.000H2O = Sb12(OH)64-4 - log_k 20.340 #63LEF/MAR in 76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.034E+1 0E+0 0E+0 0E+0 0E+0 - -- 5.000H+ + 12.000Sb(OH)5 + 5.000H2O = Sb12(OH)65-5 - log_k 16.720 #63LEF/MAR in 76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.672E+1 0E+0 0E+0 0E+0 0E+0 - -- 6.000H+ + 12.000Sb(OH)5 + 6.000H2O = Sb12(OH)66-6 - log_k 11.890 #63LEF/MAR in 76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.189E+1 0E+0 0E+0 0E+0 0E+0 - -- 7.000H+ + 12.000Sb(OH)5 + 7.000H2O = Sb12(OH)67-7 - log_k 6.070 #63LEF/MAR in 76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.07E+0 0E+0 0E+0 0E+0 0E+0 - -4.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2H2S4 - log_k 57.810 #88KRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.781E+1 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2HS4- - log_k 52.900 #88KRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.29E+1 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2S4-2 - log_k 43.380 #88KRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.338E+1 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 1.000Cl- + 1.000Sb(OH)3 - 3.000H2O = SbCl+2 - log_k 2.800 #70BON/WAU and others recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 2.000Cl- + 1.000Sb(OH)3 - 3.000H2O = SbCl2+ - log_k 3.270 #70BON/WAU and others recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 1.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF+2 - log_k 6.370 #70BON recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.37E+0 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 2.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF2+ - log_k 12.420 #70BON recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.242E+1 0E+0 0E+0 0E+0 0E+0 - -3.000H+ + 3.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF3 - log_k 18.200 #70BON recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.82E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000HSe- = Se-2 - log_k -14.910 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.491E+1 0E+0 0E+0 0E+0 0E+0 - -2.000HSe- - 1.000H2O + 0.500O2 = Se2-2 - log_k 38.490 #05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.849E+1 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 3.000HSe- - 2.000H2O + 1.000O2 = Se3-2 - log_k 91.220 #05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.122E+1 0E+0 0E+0 0E+0 0E+0 - -2.000H+ + 4.000HSe- - 3.000H2O + 1.500O2 = Se4-2 - log_k 142.350 #05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.4235E+2 0E+0 0E+0 0E+0 0E+0 - -1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = SeCn- - log_k 56.020 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.602E+1 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 2.000H4(SiO4) - 1.000H2O = Si2O2(OH)5- - log_k -8.500 #01FEL/CHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -8.5E+0 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 2.000H4(SiO4) - 1.000H2O = Si2O3(OH)4-2 - log_k -19.400 #01FEL/CHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.94E+1 0E+0 0E+0 0E+0 0E+0 - -- 3.000H+ + 3.000H4(SiO4) - 2.000H2O = Si3O5(OH)5-3 - log_k -29.400 #01FEL/CHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.94E+1 0E+0 0E+0 0E+0 0E+0 - -- 3.000H+ + 3.000H4(SiO4) - 3.000H2O = Si3O6(OH)3-3 - log_k -29.300 #01FEL/CHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.93E+1 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 4.000H4(SiO4) - 4.000H2O = Si4O6(OH)6-2 - log_k -15.600 #01FEL/CHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.56E+1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 4.000H4(SiO4) - 3.000H2O = Si4O7(OH)6-4 - log_k -39.100 #01FEL/CHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.91E+1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 4.000H4(SiO4) - 4.000H2O = Si4O8(OH)4-4 - log_k -39.200 #01FEL/CHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.92E+1 0E+0 0E+0 0E+0 0E+0 - -- 6.000H+ + 6.000H4(SiO4) - 9.000H2O = Si6O15-6 - log_k -61.800 #01FEL/CHO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.18E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 + 1.000CO3-2 = Sm(CO3)+ - log_k 7.800 #95SPA/BRU - delta_h 163.392 #kJ/mol - # Enthalpy of formation: -1203.037 #kJ/mol - -analytic 3.6425E+1 0E+0 -8.53455E+3 0E+0 0E+0 - -1.000Sm+3 + 2.000CO3-2 = Sm(CO3)2- - log_k 12.800 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.28E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 + 3.000CO3-2 = Sm(CO3)3-3 - log_k 14.800 #05VER/VIT2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 + 1.000H2(PO4)- = Sm(H2PO4)+2 - log_k 2.350 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.35E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 + 1.000H+ + 1.000CO3-2 = Sm(HCO3)+2 - log_k 12.430 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.243E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 - 1.000H+ + 1.000H2(PO4)- = Sm(HPO4)+ - log_k -1.610 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.61E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 - 2.000H+ + 2.000H2(PO4)- = Sm(HPO4)2- - log_k -5.020 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.02E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 + 1.000NO3- = Sm(NO3)+2 - log_k 0.900 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 - 1.000H+ + 1.000H2O = Sm(OH)+2 - log_k -7.900 #95SPA/BRU - delta_h 81.304 #kJ/mol - # Enthalpy of formation: -895.725 #kJ/mol - -analytic 6.34383E+0 0E+0 -4.2468E+3 0E+0 0E+0 - -1.000Sm+3 - 2.000H+ + 2.000H2O = Sm(OH)2+ - log_k -15.700 #07NEC/ALT2 - delta_h 145.698 #kJ/mol - # Enthalpy of formation: -1117.161 #kJ/mol - -analytic 9.82516E+0 0E+0 -7.61033E+3 0E+0 0E+0 - -1.000Sm+3 - 3.000H+ + 3.000H2O = Sm(OH)3 - log_k -26.200 #07NEC/ALT2 - delta_h 228.395 #kJ/mol - # Enthalpy of formation: -1320.294 #kJ/mol - -analytic 1.3813E+1 0E+0 -1.19299E+4 0E+0 0E+0 - -1.000Sm+3 - 4.000H+ + 4.000H2O = Sm(OH)4- - log_k -40.700 #07NEC/ALT2 - delta_h 298.594 #kJ/mol - # Enthalpy of formation: -1535.925 #kJ/mol - -analytic 1.16113E+1 0E+0 -1.55966E+4 0E+0 0E+0 - -1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- = Sm(PO4) - log_k -7.460 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.46E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 - 4.000H+ + 2.000H2(PO4)- = Sm(PO4)2-3 - log_k -18.720 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.872E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sm+3 + 1.000SO4-2 = Sm(SO4)+ - log_k 3.500 #95SPA/BRU - delta_h 16.575 #kJ/mol - # Enthalpy of formation: -1583.964 #kJ/mol - -analytic 6.40381E+0 0E+0 -8.65771E+2 0E+0 0E+0 - -1.000Sm+3 + 2.000SO4-2 = Sm(SO4)2- - log_k 5.200 #95SPA/BRU - delta_h 24.910 #kJ/mol - # Enthalpy of formation: -2484.969 #kJ/mol - -analytic 9.56404E+0 0E+0 -1.30114E+3 0E+0 0E+0 - -1.000Sm+3 + 1.000Br- = SmBr+2 - log_k 0.230 #96FAL/REA - delta_h 17.023 #kJ/mol - # Enthalpy of formation: -795.586 #kJ/mol - -analytic 3.2123E+0 0E+0 -8.89172E+2 0E+0 0E+0 - -1.000Sm+3 + 1.000Cl- = SmCl+2 - log_k 0.720 #Original data 01LUO/BYR and 07LUO/BYR - delta_h 22.277 #kJ/mol - # Enthalpy of formation: -836.002 #kJ/mol - -analytic 4.62276E+0 0E+0 -1.16361E+3 0E+0 0E+0 - -1.000Sm+3 + 1.000F- = SmF+2 - log_k 4.210 #07LUO/BYR - delta_h 24.180 #kJ/mol - # Enthalpy of formation: -1002.369 #kJ/mol - -analytic 8.44615E+0 0E+0 -1.26301E+3 0E+0 0E+0 - -1.000Sm+3 + 2.000F- = SmF2+ - log_k 6.430 #Original data 99SCH/BYR and 04LUO/BYR - delta_h 18.850 #kJ/mol - # Enthalpy of formation: -1343.049 #kJ/mol - -analytic 9.73237E+0 0E+0 -9.84603E+2 0E+0 0E+0 - -1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 - log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO1 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000Cit-3 = Sn(Cit)- - log_k 8.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 2.000Cit-3 = Sn(Cit)2-4 - log_k 11.900 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.19E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000Edta-4 = Sn(Edta)-2 - log_k 24.600 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 2.000H+ + 1.000Edta-4 = Sn(H2Edta) - log_k 24.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.43E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000H+ + 1.000Edta-4 = Sn(HEdta)- - log_k 23.400 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.34E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000Nta-3 = Sn(Nta)- - log_k 13.400 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 - 1.000H+ + 1.000H2O = Sn(OH)+ - log_k -3.530 #12GAM/GAJ - delta_h 18.612 #kJ/mol - # Enthalpy of formation: -276.835 #kJ/mol - -analytic -2.69322E-1 0E+0 -9.72171E+2 0E+0 0E+0 - -1.000Sn+2 - 2.000H+ + 2.000H2O = Sn(OH)2 - log_k -7.680 #12GAM/GAJ - delta_h 40.762 #kJ/mol - # Enthalpy of formation: -540.515 #kJ/mol - -analytic -5.38815E-1 0E+0 -2.12914E+3 0E+0 0E+0 - -1.000Sn+2 - 3.000H+ + 3.000H2O = Sn(OH)3- - log_k -61.190 #13COL/GRI - delta_h 344.633 #kJ/mol - # Enthalpy of formation: -522.474 #kJ/mol - -analytic -8.12979E-1 0E+0 -1.80014E+4 0E+0 0E+0 - -1.000Sn+4 - 4.000H+ + 4.000H2O = Sn(OH)4 - log_k 7.540 - delta_h -49.215 #kJ/mol - # Enthalpy of formation: -1224.035 #kJ/mol - -analytic -1.08209E+0 0E+0 2.57067E+3 0E+0 0E+0 - -1.000Sn+4 - 5.000H+ + 5.000H2O = Sn(OH)5- - log_k -1.060 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.06E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+4 - 6.000H+ + 6.000H2O = Sn(OH)6-2 - log_k -11.130 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.113E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 - 1.000H+ + 1.000Cl- + 1.000H2O = Sn(OH)Cl - log_k -3.100 #52VAN/RHO recalculated in 02HUM/BER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000Ox-2 = Sn(Ox) - log_k 6.500 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 2.000Ox-2 = Sn(Ox)2-2 - log_k 12.900 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 3.000Ox-2 = Sn(Ox)3-4 - log_k 17.100 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.71E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000SO4-2 = Sn(SO4) - log_k 3.430 #12GAM/GAJ - delta_h 16.900 #kJ/mol #Suggested but not selected in 12GAM/GAJ - # Enthalpy of formation: -902.057 #kJ/mol - -analytic 6.39075E+0 0E+0 -8.82747E+2 0E+0 0E+0 - -3.000Sn+2 - 4.000H+ + 4.000H2O = Sn3(OH)4+2 - log_k -5.600 #12GAM/GAJ - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000Br- = SnBr+ - log_k 1.330 #12GAM/GAJ - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 2.000Br- = SnBr2 - log_k 1.970 #12GAM/GAJ - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.97E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 3.000Br- = SnBr3- - log_k 1.930 #12GAM/GAJ - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.93E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000Cl- = SnCl+ - log_k 1.520 #12GAM/GAJ - delta_h 12.700 #kJ/mol #12GAM/GAJ - # Enthalpy of formation: -163.997 #kJ/mol - -analytic 3.74494E+0 0E+0 -6.63366E+2 0E+0 0E+0 - -1.000Sn+2 + 2.000Cl- = SnCl2 - log_k 2.170 #12GAM/GAJ - delta_h 19.700 #kJ/mol #12GAM/GAJ - # Enthalpy of formation: -324.077 #kJ/mol - -analytic 5.62129E+0 0E+0 -1.029E+3 0E+0 0E+0 - -1.000Sn+2 + 3.000Cl- = SnCl3- - log_k 2.130 #12GAM/GAJ - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.13E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 4.000Cl- = SnCl4-2 - log_k 2.030 #12GAM/GAJ - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.03E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000F- = SnF+ - log_k 5.250 #12GAM/GAJ - delta_h -9.579 #kJ/mol - # Enthalpy of formation: -354.546 #kJ/mol - -analytic 3.57183E+0 0E+0 5.00345E+2 0E+0 0E+0 - -1.000Sn+2 + 2.000F- = SnF2 - log_k 8.890 #12GAM/GAJ - delta_h -9.968 #kJ/mol - # Enthalpy of formation: -690.285 #kJ/mol - -analytic 7.14368E+0 0E+0 5.20664E+2 0E+0 0E+0 - -1.000Sn+2 + 3.000F- = SnF3- - log_k 11.500 #12GAM/GAJ - delta_h -4.478 #kJ/mol - # Enthalpy of formation: -1020.145 #kJ/mol - -analytic 1.07155E+1 0E+0 2.33902E+2 0E+0 0E+0 - -1.000Sn+2 - 1.000H+ + 1.000H2(PO4)- = SnHPO4 - log_k 2.290 #00CIA/IUL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.29E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 1.000I- = SnI+ - log_k 1.740 #68HAI/JOH1 recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.74E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 + 2.000I- = SnI2 - log_k 2.690 #68HAI/JOH1 recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.69E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sn+2 - 2.000H+ + 1.000H2(PO4)- = SnPO4- - log_k -1.560 #00CIA/IUL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.56E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000CO3-2 = Sr(CO3) - log_k 2.810 #84BUS/PLU - delta_h 21.824 #kJ/mol - # Enthalpy of formation: -1204.306 #kJ/mol - -analytic 6.6334E+0 0E+0 -1.13995E+3 0E+0 0E+0 - -1.000Sr+2 + 1.000Cit-3 = Sr(Cit)- - log_k 4.240 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.24E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 - 1.000H+ + 2.000Cit-3 + 1.000H2O = Sr(Cit)2(OH)-5 - log_k -1.780 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.78E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 2.000Cit-3 = Sr(Cit)2-4 - log_k 4.840 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.84E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000Cn- = Sr(Cn)+ - log_k 0.710 #estimation NEA87 08/02/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.1E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 2.000Cn- = Sr(Cn)2 - log_k 0.200 #estimation NEA87 08/02/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000Edta-4 = Sr(Edta)-2 - log_k 10.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.03E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 2.000H+ + 1.000Cit-3 = Sr(H2Cit)+ - log_k 12.460 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.246E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000H2(PO4)- = Sr(H2PO4)+ - log_k 0.830 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.3E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000H+ + 1.000CO3-2 = Sr(HCO3)+ - log_k 11.510 #84BUS/PLUS - delta_h 10.598 #kJ/mol - # Enthalpy of formation: -1215.533 #kJ/mol - -analytic 1.33667E+1 0E+0 -5.53571E+2 0E+0 0E+0 - -1.000Sr+2 + 1.000H+ + 1.000Cit-3 = Sr(HCit) - log_k 9.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000H+ + 1.000Edta-4 = Sr(HEdta)- - log_k 14.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.47E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000H+ + 1.000Ox-2 = Sr(HOx)+ - log_k 5.800 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 2.000H+ + 2.000Ox-2 = Sr(HOx)2 - log_k 10.800 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.08E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 - 1.000H+ + 1.000H2(PO4)- = Sr(HPO4) - log_k -4.700 #97MAR/SMI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000IO3- = Sr(IO3)+ - log_k 0.330 #estimation NEA87 01/02/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.3E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 2.000IO3- = Sr(IO3)2 - log_k -0.550 #estimation NEA87 01/02/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.5E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000NH3 = Sr(NH3)+2 - log_k -0.550 #estimation NEA87 08/02/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.5E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000NO3- = Sr(NO3)+ - log_k 0.600 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 2.000NO3- = Sr(NO3)2 - log_k 0.310 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.1E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000Nta-3 = Sr(Nta)- - log_k 6.250 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.25E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 - 1.000H+ + 1.000H2O = Sr(OH)+ - log_k -13.290 #76BAE/MES - delta_h 82.609 #kJ/mol - # Enthalpy of formation: -754.12 #kJ/mol - -analytic 1.18245E+0 0E+0 -4.31496E+3 0E+0 0E+0 - -1.000Sr+2 + 1.000Ox-2 = Sr(Ox) - log_k 2.540 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.54E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 2.000Ox-2 = Sr(Ox)2-2 - log_k 3.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 - 2.000H+ + 1.000H2(PO4)- = Sr(PO4)- - log_k -13.560 #96BOU1 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.356E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000Pyrophos-4 = Sr(Pyrophos)-2 - log_k 5.400 #76SMI/MAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000S2O3-2 = Sr(S2O3) - log_k 2.040 #76SMI/MAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.04E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000SO4-2 = Sr(SO4) - log_k 2.300 #06BLA/IGN - delta_h 7.029 #kJ/mol #06BLA/IGN - # Enthalpy of formation: -1453.211 #kJ/mol - -analytic 3.53143E+0 0E+0 -3.6715E+2 0E+0 0E+0 - -2.000Sr+2 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Sr2(Cit)(OH) - log_k 0.380 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.8E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000B(OH)4- = SrB(OH)4+ - log_k 1.550 #80BAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.55E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000Cl- = SrCl+ - log_k 0.230 #96BOU1 - delta_h 4.924 #kJ/mol - # Enthalpy of formation: -713.054 #kJ/mol - -analytic 1.09265E+0 0E+0 -2.57198E+2 0E+0 0E+0 - -1.000Sr+2 + 1.000F- = SrF+ - log_k 0.300 - delta_h 16.740 #kJ/mol - # Enthalpy of formation: -869.51 #kJ/mol - -analytic 3.23272E+0 0E+0 -8.7439E+2 0E+0 0E+0 - -1.000Sr+2 + 2.000F- = SrF2 - log_k 2.020 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.02E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 1.000I- = SrI+ - log_k 0.140 #estimation NEA87 01/02/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.4E-1 0E+0 0E+0 0E+0 0E+0 - -1.000Sr+2 + 2.000I- = SrI2 - log_k -0.040 #estimation NEA87 01/02/95 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4E-2 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 + 2.000H+ + 1.000CO3-2 - 1.000H2O = Tc(OH)2CO3 - log_k 19.260 #99RAR/RAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.926E+1 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 + 1.000H+ + 1.000CO3-2 = Tc(OH)3CO3- - log_k 10.960 #99RAR/RAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.096E+1 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 + 1.000H+ - 1.000H2O + 1.000Acetate- = TcO(OH)(Acetate) - log_k 5.550 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.55E+0 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 + 1.000H+ + 1.000Edta-4 - 1.000H2O = TcO(OH)(Edta)-3 - log_k 19.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.9E+1 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 + 1.000H+ + 1.000Nta-3 - 1.000H2O = TcO(OH)(Nta)-2 - log_k 13.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.33E+1 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 + 1.000H+ + 2.000Nta-3 - 1.000H2O = TcO(OH)(Nta)2-5 - log_k 11.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.17E+1 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 + 1.000H+ - 1.000H2O = TcO(OH)+ - log_k 2.790 - delta_h 4.020 #kJ/mol #97NGU/LAN - # Enthalpy of formation: -459.47 #kJ/mol - -analytic 3.49427E+0 0E+0 -2.09979E+2 0E+0 0E+0 - -1.000TcO(OH)2 + 2.000H+ + 1.000Ox-2 - 2.000H2O = TcO(Ox) - log_k 9.800 #06XIA/HES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 + 2.000H+ + 2.000Ox-2 - 2.000H2O = TcO(Ox)2-2 - log_k 13.660 #06XIA/HES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.366E+1 0E+0 0E+0 0E+0 0E+0 - -1.000TcO(OH)2 + 2.000H+ - 2.000H2O = TcO+2 - log_k 2.580 #97NGU/LAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.58E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000Acetate- = Th(Acetate)+3 - log_k 5.240 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.24E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 2.000Acetate- = Th(Acetate)2+2 - log_k 9.440 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.44E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 3.000Acetate- = Th(Acetate)3+ - log_k 12.560 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.256E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 4.000Acetate- = Th(Acetate)4 - log_k 14.380 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.438E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 5.000Acetate- = Th(Acetate)5- - log_k 15.370 #11RIC/GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.537E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 5.000CO3-2 = Th(CO3)5-6 - log_k 31.000 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.1E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000Cit-3 = Th(Cit)+ - log_k 16.800 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.68E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 2.000Cit-3 = Th(Cit)2-2 - log_k 25.800 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.58E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000Edta-4 = Th(Edta) - log_k 26.950 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.695E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000H2(PO4)- = Th(H2PO4)+3 - log_k 5.590 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.59E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 2.000H2(PO4)- = Th(H2PO4)2+2 - log_k 10.480 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.048E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000H+ + 2.000H2(PO4)- = Th(H3PO4)(H2PO4)+3 - log_k 9.700 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000H+ + 1.000H2(PO4)- = Th(H3PO4)+4 - log_k 4.030 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.03E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000H+ + 1.000Edta-4 = Th(HEdta)+ - log_k 28.700 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.87E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000H+ + 1.000Ox-2 = Th(HOx)+3 - log_k 11.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 2.000H+ + 2.000Ox-2 = Th(HOx)2+2 - log_k 18.130 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.813E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 4.000H+ + 4.000Ox-2 = Th(HOx)4 - log_k 24.300 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.43E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000Malonate-2 = Th(Malonate)+2 - log_k 9.320 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.32E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 2.000Malonate-2 = Th(Malonate)2 - log_k 16.070 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.607E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 3.000Malonate-2 = Th(Malonate)3-2 - log_k 19.630 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.963E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000NO3- = Th(NO3)+3 - log_k 1.300 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 2.000NO3- = Th(NO3)2+2 - log_k 2.300 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000Nta-3 = Th(Nta)+ - log_k 17.150 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.715E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 1.000H+ + 4.000CO3-2 + 1.000H2O = Th(OH)(CO3)4-5 - log_k 21.600 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.16E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Th(OH)(Edta)- - log_k 19.500 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.95E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Th(OH)(Nta) - log_k 25.200 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.52E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 1.000H+ + 1.000H2O = Th(OH)+3 - log_k -2.500 #09RAN/FUG - delta_h 44.200 #kJ/mol #09RAN/FUG - # Enthalpy of formation: -1010.33 #kJ/mol - -analytic 5.2435E+0 0E+0 -2.30872E+3 0E+0 0E+0 - -1.000Th+4 - 2.000H+ + 1.000CO3-2 + 2.000H2O = Th(OH)2(CO3) - log_k 2.500 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Th(OH)2(CO3)2-2 - log_k 8.800 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Th(OH)2(Nta)- - log_k 35.200 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.52E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 2.000H+ + 2.000H2O = Th(OH)2+2 - log_k -6.200 #09RAN/FUG - delta_h 85.700 #kJ/mol #09RAN/FUG - # Enthalpy of formation: -1254.66 #kJ/mol - -analytic 8.81397E+0 0E+0 -4.47642E+3 0E+0 0E+0 - -1.000Th+4 - 3.000H+ + 1.000CO3-2 + 3.000H2O = Th(OH)3(CO3)- - log_k -3.700 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Th(OH)3(HGlu) - log_k -6.700 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Th(OH)3(HIsa) - log_k -5.650 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.65E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Th(OH)3(HIsa)2- - log_k -4.900 #09RAI/YUI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 3.000H+ + 3.000H2O = Th(OH)3+ - log_k -11.000 #10GRI/RIB - delta_h 125.623 #kJ/mol - # Enthalpy of formation: -1500.554 #kJ/mol - -analytic 1.10082E+1 0E+0 -6.56174E+3 0E+0 0E+0 - -1.000Th+4 - 4.000H+ + 4.000H2O = Th(OH)4 - log_k -17.400 #09RAN/FUG - delta_h 152.688 #kJ/mol - # Enthalpy of formation: -1759.319 #kJ/mol - -analytic 9.34975E+0 0E+0 -7.97544E+3 0E+0 0E+0 - -1.000Th+4 - 4.000H+ + 1.000CO3-2 + 4.000H2O = Th(OH)4(CO3)-2 - log_k -15.600 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.56E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Th(OH)4(HGlu)- - log_k -11.800 #13COL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.18E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 2.000HGlu- + 4.000H2O - 4.000H+ = Th(OH)4(HGlu)2-2 - log_k -9.900 #13COL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -9.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Th(OH)4(HIsa)- - log_k -13.200 #13COL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.32E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Th(OH)4(HIsa)2-2 - log_k -10.400 #13COL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000Ox-2 = Th(Ox)+2 - log_k 9.700 #08SAS/TAK; 09KOB/SAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 2.000Ox-2 = Th(Ox)2 - log_k 16.000 #08SAS/TAK; 09KOB/SAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 3.000Ox-2 = Th(Ox)3-2 - log_k 22.200 #08SAS/TAK; 09KOB/SAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.22E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000SO4-2 = Th(SO4)+2 - log_k 6.170 #09RAN/FUG - delta_h 20.920 #kJ/mol #09RAN/FUG - # Enthalpy of formation: -1657.12 #kJ/mol - -analytic 9.83502E+0 0E+0 -1.09273E+3 0E+0 0E+0 - -1.000Th+4 + 2.000SO4-2 = Th(SO4)2 - log_k 9.690 #09RAN/FUG - delta_h 40.380 #kJ/mol #09RAN/FUG - # Enthalpy of formation: -2547 #kJ/mol - -analytic 1.67643E+1 0E+0 -2.10919E+3 0E+0 0E+0 - -1.000Th+4 + 3.000SO4-2 = Th(SO4)3-2 - log_k 10.750 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.075E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000Succinat-2 = Th(Succinat)+2 - log_k 8.490 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.49E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 2.000Succinat-2 = Th(Succinat)2 - log_k 12.920 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.292E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 3.000Succinat-2 = Th(Succinat)3-2 - log_k 16.620 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.662E+1 0E+0 0E+0 0E+0 0E+0 - -2.000Th+4 - 2.000H+ + 2.000H2O = Th2(OH)2+6 - log_k -5.900 #09RAN/FUG - delta_h 58.300 #kJ/mol #09RAN/FUG - # Enthalpy of formation: -2050.76 #kJ/mol - -analytic 4.31371E+0 0E+0 -3.04522E+3 0E+0 0E+0 - -2.000Th+4 - 3.000H+ + 3.000H2O = Th2(OH)3+5 - log_k -6.800 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.8E+0 0E+0 0E+0 0E+0 0E+0 - -2.000Th+4 - 1.000H+ + 1.000Ox-2 + 1.000H2O = Th2(Ox)(OH)+5 - log_k 26.240 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.624E+1 0E+0 0E+0 0E+0 0E+0 - -4.000Th+4 - 12.000H+ + 12.000H2O = Th4(OH)12+4 - log_k -26.600 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.66E+1 0E+0 0E+0 0E+0 0E+0 - -4.000Th+4 - 8.000H+ + 8.000H2O = Th4(OH)8+8 - log_k -20.400 #09RAN/FUG - delta_h 243.000 #kJ/mol #09RAN/FUG - # Enthalpy of formation: -5118.44 #kJ/mol - -analytic 2.21717E+1 0E+0 -1.26928E+4 0E+0 0E+0 - -6.000Th+4 - 14.000H+ + 14.000H2O = Th6(OH)14+10 - log_k -36.800 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.68E+1 0E+0 0E+0 0E+0 0E+0 - -6.000Th+4 - 15.000H+ + 15.000H2O = Th6(OH)15+9 - log_k -36.800 #09RAN/FUG - delta_h 472.800 #kJ/mol #09RAN/FUG - # Enthalpy of formation: -8426.85 #kJ/mol - -analytic 4.60309E+1 0E+0 -2.4696E+4 0E+0 0E+0 - -1.000Th+4 + 1.000Cl- = ThCl+3 - log_k 1.700 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 1.000F- = ThF+3 - log_k 8.870 #09RAN/FUG - delta_h -0.400 #kJ/mol #09RAN/FUG - # Enthalpy of formation: -1104.45 #kJ/mol - -analytic 8.79992E+0 0E+0 2.08934E+1 0E+0 0E+0 - -1.000Th+4 + 2.000F- = ThF2+2 - log_k 15.630 #09RAN/FUG - delta_h -3.300 #kJ/mol #09RAN/FUG - # Enthalpy of formation: -1442.7 #kJ/mol - -analytic 1.50519E+1 0E+0 1.72371E+2 0E+0 0E+0 - -1.000Th+4 + 3.000F- = ThF3+ - log_k 20.670 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.067E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Th+4 + 4.000F- = ThF4 - log_k 25.580 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.558E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 1.000Acetate- = U(Acetate)+3 - log_k 5.640 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.64E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 2.000Acetate- = U(Acetate)2+2 - log_k 9.810 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.81E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 4.000CO3-2 = U(CO3)4-4 - log_k 35.120 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.512E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 5.000CO3-2 = U(CO3)5-6 - log_k 34.000 #03GUI/FAN - delta_h -20.000 #kJ/mol #03GUI/FAN - # Enthalpy of formation: -3987.35 #kJ/mol - -analytic 3.04962E+1 0E+0 1.04467E+3 0E+0 0E+0 - -1.000U+4 + 1.000Edta-4 = U(Edta) - log_k 29.500 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.95E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 1.000NO3- = U(NO3)+3 - log_k 1.470 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.47E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 2.000NO3- = U(NO3)2+2 - log_k 2.300 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 1.000Nta-3 = U(Nta)+ - log_k 20.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 - 1.000H+ + 1.000Edta-4 + 1.000H2O = U(OH)(Edta)- - log_k 24.600 #63ERM/KRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 - 1.000H+ + 1.000H2O = U(OH)+3 - log_k -0.540 #92GRE/FUG - delta_h 46.910 #kJ/mol - # Enthalpy of formation: -830.12 #kJ/mol - -analytic 7.67827E+0 0E+0 -2.45028E+3 0E+0 0E+0 - -1.000U+4 - 2.000H+ + 1.000Edta-4 + 2.000H2O = U(OH)2(Edta)-2 - log_k 16.500 #63ERM/KRO - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.65E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 - 2.000H+ + 2.000H2O = U(OH)2+2 - log_k -1.100 #01NEC/KIM - delta_h 59.974 #kJ/mol - # Enthalpy of formation: -1102.886 #kJ/mol - -analytic 9.40698E+0 0E+0 -3.13266E+3 0E+0 0E+0 - -1.000U+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = U(OH)3(HGlu) - log_k 0.290 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.9E-1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = U(OH)3(HIsa) - log_k 0.290 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.9E-1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = U(OH)3(HIsa)2- - log_k 2.400 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 - 3.000H+ + 3.000H2O = U(OH)3+ - log_k -4.700 #01NEC/KIM - delta_h 82.944 #kJ/mol - # Enthalpy of formation: -1365.746 #kJ/mol - -analytic 9.83114E+0 0E+0 -4.33246E+3 0E+0 0E+0 - -1.000U+4 - 4.000H+ + 4.000H2O = U(OH)4 - log_k -10.000 #03GUI/FAN - delta_h 109.881 #kJ/mol - # Enthalpy of formation: -1624.639 #kJ/mol - -analytic 9.2503E+0 0E+0 -5.73948E+3 0E+0 0E+0 - -1.000U+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = U(OH)4(HGlu)- - log_k -5.940 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.94E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = U(OH)4(HIsa)- - log_k -6.700 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = U(OH)4(HIsa)2-2 - log_k -5.100 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 2.000Ox-2 = U(Ox)2 - log_k 18.630 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.863E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 3.000Ox-2 = U(Ox)3-2 - log_k 24.190 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.419E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 1.000SO4-2 = U(SO4)+2 - log_k 6.580 #92GRE/FUG - delta_h 8.000 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1492.54 #kJ/mol - -analytic 7.98154E+0 0E+0 -4.17868E+2 0E+0 0E+0 - -1.000U+4 + 2.000SO4-2 = U(SO4)2 - log_k 10.510 #92GRE/FUG - delta_h 32.700 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -2377.18 #kJ/mol - -analytic 1.62388E+1 0E+0 -1.70804E+3 0E+0 0E+0 - -1.000U+4 + 1.000Br- = UBr+3 - log_k 1.460 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.46E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 1.000Cl- = UCl+3 - log_k 1.720 #92GRE/FUG - delta_h -19.000 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -777.28 #kJ/mol - -analytic -1.60865E+0 0E+0 9.92438E+2 0E+0 0E+0 - -1.000U+4 + 1.000F- = UF+3 - log_k 9.420 #03GUI/FAN - delta_h -5.600 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -932.15 #kJ/mol - -analytic 8.43892E+0 0E+0 2.92508E+2 0E+0 0E+0 - -1.000U+4 + 2.000F- = UF2+2 - log_k 16.560 #03GUI/FAN - delta_h -3.500 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1265.4 #kJ/mol - -analytic 1.59468E+1 0E+0 1.82817E+2 0E+0 0E+0 - -1.000U+4 + 3.000F- = UF3+ - log_k 21.890 #03GUI/FAN - delta_h 0.500 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1596.75 #kJ/mol - -analytic 2.19776E+1 0E+0 -2.61168E+1 0E+0 0E+0 - -1.000U+4 + 4.000F- = UF4 - log_k 26.340 #03GUI/FAN - delta_h -8.429 #kJ/mol - # Enthalpy of formation: -1941.029 #kJ/mol - -analytic 2.48633E+1 0E+0 4.40277E+2 0E+0 0E+0 - -1.000U+4 + 5.000F- = UF5- - log_k 27.730 #03GUI/FAN - delta_h -11.624 #kJ/mol - # Enthalpy of formation: -2279.574 #kJ/mol - -analytic 2.56936E+1 0E+0 6.07163E+2 0E+0 0E+0 - -1.000U+4 + 6.000F- = UF6-2 - log_k 29.800 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.98E+1 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 1.000I- = UI+3 - log_k 1.250 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.25E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000Acetate- = UO2(Acetate)+ - log_k 3.020 #11RIC/GRI - delta_h -35.366 #kJ/mol - # Enthalpy of formation: -1540.376 #kJ/mol - -analytic -3.17585E+0 0E+0 1.84729E+3 0E+0 0E+0 - -1.000UO2+2 + 2.000Acetate- = UO2(Acetate)2 - log_k 5.200 #11RIC/GRI - delta_h -34.958 #kJ/mol - # Enthalpy of formation: -2025.978 #kJ/mol - -analytic -9.2437E-1 0E+0 1.82598E+3 0E+0 0E+0 - -1.000UO2+2 + 3.000Acetate- = UO2(Acetate)3- - log_k 7.030 #11RIC/GRI - delta_h -45.947 #kJ/mol - # Enthalpy of formation: -2522.977 #kJ/mol - -analytic -1.01956E+0 0E+0 2.39998E+3 0E+0 0E+0 - -1.000UO2+2 + 1.000CO3-2 = UO2(CO3) - log_k 9.940 #03GUI/FAN - delta_h 5.000 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1689.23 #kJ/mol - -analytic 1.0816E+1 0E+0 -2.61168E+2 0E+0 0E+0 - -1.000UO2+2 + 2.000CO3-2 = UO2(CO3)2-2 - log_k 16.610 #03GUI/FAN - delta_h 18.500 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -2350.96 #kJ/mol - -analytic 1.98511E+1 0E+0 -9.66321E+2 0E+0 0E+0 - -1.000UO2+2 + 3.000CO3-2 = UO2(CO3)3-4 - log_k 21.840 #03GUI/FAN - delta_h -39.200 #kJ/mol - # Enthalpy of formation: -3083.89 #kJ/mol - -analytic 1.49725E+1 0E+0 2.04756E+3 0E+0 0E+0 - -1.000UO2+ + 3.000CO3-2 = UO2(CO3)3-5 - log_k 6.950 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.95E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000Cit-3 = UO2(Cit)- - log_k 8.960 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.96E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000Edta-4 = UO2(Edta)-2 - log_k 13.700 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.37E+1 0E+0 0E+0 0E+0 0E+0 - -1.000AsO4-3 + 1.000UO2+2 + 2.000H+ = UO2(H2AsO4)+ - log_k 21.960 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.196E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 4.000H+ + 2.000AsO4-3 = UO2(H2AsO4)2 - log_k 41.530 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.153E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000H+ + 2.000H2(PO4)- = UO2(H2PO4)(H3PO4)+ - log_k 5.930 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000H2(PO4)- = UO2(H2PO4)+ - log_k 3.260 #92GRE/FUG - delta_h -15.340 #kJ/mol - # Enthalpy of formation: -2336.94 #kJ/mol - -analytic 5.72551E-1 0E+0 8.01263E+2 0E+0 0E+0 - -1.000UO2+2 + 2.000H2(PO4)- = UO2(H2PO4)2 - log_k 4.920 #92GRE/FUG - delta_h -51.871 #kJ/mol - # Enthalpy of formation: -6902.925 #kJ/mol - -analytic -4.1674E+0 0E+0 2.70941E+3 0E+0 0E+0 - -1.000UO2+2 + 1.000H+ + 1.000H2(PO4)- = UO2(H3PO4)+2 - log_k 2.900 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000AsO4-3 + 1.000UO2+2 + 1.000H+ = UO2(HAsO4) - log_k 18.760 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.876E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000H+ + 1.000Cit-3 = UO2(HCit) - log_k 11.360 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.136E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000H+ + 1.000Edta-4 = UO2(HEdta)- - log_k 19.610 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.961E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000HIsa- = UO2(HIsa)+ - log_k 3.700 #04RAO/GAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.7E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 2.000HIsa- = UO2(HIsa)2 - log_k 6.600 #04RAO/GAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 3.000HIsa- = UO2(HIsa)3- - log_k 8.500 #04RAO/GAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000H+ + 1.000Nta-3 = UO2(HNta) - log_k 9.000 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 - 1.000H+ + 1.000H2(PO4)- = UO2(HPO4) - log_k 0.030 #92GRE/FUG - delta_h 2.795 #kJ/mol - # Enthalpy of formation: -4408.507 #kJ/mol - -analytic 5.19662E-1 0E+0 -1.45993E+2 0E+0 0E+0 - -1.000UO2+2 + 2.000I- + 3.000O2 = UO2(IO3)2 - log_k 38.400 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.84E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000NO3- = UO2(NO3)+ - log_k 0.100 #08RAO/TIA - delta_h 3.900 #kJ/mol #08RAO/TIA - # Enthalpy of formation: -1221.95 #kJ/mol - -analytic 7.8325E-1 0E+0 -2.03711E+2 0E+0 0E+0 - -1.000UO2+2 + 1.000Nta-3 = UO2(Nta)- - log_k 10.800 #95AKR/BOU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.08E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 - 1.000H+ + 1.000Ox-2 + 1.000H2O = UO2(OH)(Ox)- - log_k 0.630 #56GRI/PTI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.3E-1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 - 1.000H+ + 1.000H2O = UO2(OH)+ - log_k -5.250 #03GUI/FAN - delta_h 43.458 #kJ/mol - # Enthalpy of formation: -1261.372 #kJ/mol - -analytic 2.3635E+0 0E+0 -2.26997E+3 0E+0 0E+0 - -1.000UO2+2 - 2.000H+ + 2.000H2O = UO2(OH)2 - log_k -12.150 #03GUI/FAN - delta_h 111.160 #kJ/mol - # Enthalpy of formation: -1479.5 #kJ/mol #82WAG/EVA - -analytic 7.32437E+0 0E+0 -5.80628E+3 0E+0 0E+0 - -1.000UO2+2 - 3.000H+ + 3.000H2O = UO2(OH)3- - log_k -20.250 #03GUI/FAN - delta_h 148.060 #kJ/mol #Estimated by linear correlations - # Enthalpy of formation: -1728.43 #kJ/mol - -analytic 5.68896E+0 0E+0 -7.7337E+3 0E+0 0E+0 - -1.000UO2+2 - 4.000H+ + 1.000HIsa- + 4.000H2O = UO2(OH)4(HIsa)-3 - log_k -28.100 #06GAO/MON - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.81E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 - 4.000H+ + 4.000H2O = UO2(OH)4-2 - log_k -32.400 #03GUI/FAN - delta_h 156.138 #kJ/mol - # Enthalpy of formation: -2006.182 #kJ/mol - -analytic -5.04584E+0 0E+0 -8.15564E+3 0E+0 0E+0 - -1.000UO2+2 + 1.000Ox-2 = UO2(Ox) - log_k 7.130 #05HUM/AND - delta_h 25.360 #kJ/mol - # Enthalpy of formation: -1824.3 #kJ/mol #05HUM/AND - -analytic 1.15729E+1 0E+0 -1.32464E+3 0E+0 0E+0 - -1.000UO2+2 + 2.000Ox-2 = UO2(Ox)2-2 - log_k 11.650 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.165E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 3.000Ox-2 = UO2(Ox)3-4 - log_k 13.800 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 - 2.000H+ + 1.000H2(PO4)- = UO2(PO4)- - log_k -6.330 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.33E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000Phthalat-2 = UO2(Phthalat) - log_k 5.560 #11GRI/COL3 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.56E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000S2O3-2 = UO2(S2O3) - log_k 2.800 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000SO3-2 = UO2(SO3) - log_k 6.600 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.6E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000SO4-2 = UO2(SO4) - log_k 3.150 #03GUI/FAN - delta_h 19.500 #kJ/mol #03GUI/FAN - # Enthalpy of formation: -1908.84 #kJ/mol - -analytic 6.56625E+0 0E+0 -1.01855E+3 0E+0 0E+0 - -1.000UO2+2 + 2.000SO4-2 = UO2(SO4)2-2 - log_k 4.140 #03GUI/FAN - delta_h 35.100 #kJ/mol #03GUI/FAN - # Enthalpy of formation: -2802.58 #kJ/mol - -analytic 1.02892E+1 0E+0 -1.8334E+3 0E+0 0E+0 - -1.000UO2+2 + 3.000SO4-2 = UO2(SO4)3-4 - log_k 3.020 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.02E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000SeO4-2 = UO2(SeO4) - log_k 2.740 #05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.74E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 2.000SeO4-2 = UO2(SeO4)2-2 - log_k 3.100 #99DJO/PIZ recalculated in 05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.1E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000Succinat-2 = UO2(Succinat) - log_k 5.280 #13GRI/CAM - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.28E+0 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000Br- = UO2Br+ - log_k 0.220 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.2E-1 0E+0 0E+0 0E+0 0E+0 - -1.000UO2+2 + 1.000Br- + 1.500O2 = UO2BrO3+ - log_k -16.570 #92GRE/FUG - delta_h 73.011 #kJ/mol - # Enthalpy of formation: -1085.6 #kJ/mol - -analytic -3.77904E+0 0E+0 -3.81362E+3 0E+0 0E+0 - -1.000UO2+2 + 1.000Cl- = UO2Cl+ - log_k 0.170 #92GRE/FUG - delta_h 8.000 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1178.08 #kJ/mol - -analytic 1.57154E+0 0E+0 -4.17868E+2 0E+0 0E+0 - -1.000UO2+2 + 2.000Cl- = UO2Cl2 - log_k -1.100 #92GRE/FUG - delta_h 15.000 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1338.16 #kJ/mol - -analytic 1.52788E+0 0E+0 -7.83503E+2 0E+0 0E+0 - -1.000UO2+2 + 1.000Cl- + 1.500O2 = UO2ClO3+ - log_k -16.770 #92GRE/FUG - delta_h 77.381 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1126.9 #kJ/mol - -analytic -3.21345E+0 0E+0 -4.04189E+3 0E+0 0E+0 - -1.000UO2+2 + 1.000F- = UO2F+ - log_k 5.160 #03GUI/FAN - delta_h 1.700 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1352.65 #kJ/mol - -analytic 5.45783E+0 0E+0 -8.87971E+1 0E+0 0E+0 - -1.000UO2+2 + 2.000F- = UO2F2 - log_k 8.830 #03GUI/FAN - delta_h 2.100 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -1687.6 #kJ/mol - -analytic 9.1979E+0 0E+0 -1.0969E+2 0E+0 0E+0 - -1.000UO2+2 + 3.000F- = UO2F3- - log_k 10.900 #03GUI/FAN - delta_h 2.350 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -2022.7 #kJ/mol - -analytic 1.13117E+1 0E+0 -1.22749E+2 0E+0 0E+0 - -1.000UO2+2 + 4.000F- = UO2F4-2 - log_k 11.840 #03GUI/FAN - delta_h 0.290 #kJ/mol #92GRE/FUG - # Enthalpy of formation: -2360.11 #kJ/mol - -analytic 1.18908E+1 0E+0 -1.51477E+1 0E+0 0E+0 - -1.000UO2+2 + 1.000I- + 1.500O2 = UO2IO3+ - log_k 19.410 #92GRE/FUG - delta_h -134.919 #kJ/mol - # Enthalpy of formation: -1228.9 #kJ/mol - -analytic -4.22676E+0 0E+0 7.0473E+3 0E+0 0E+0 - -1.000UO2+2 - 1.000H+ + 1.000H4(SiO4) = UO2SiO(OH)3+ - log_k -1.840 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.84E+0 0E+0 0E+0 0E+0 0E+0 - -1.000U+4 + 1.000Ox-2 = UOx+2 - log_k 10.670 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.067E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Zn+2 + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 = Zn(SeCn)+ - log_k 57.230 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.723E+1 0E+0 0E+0 0E+0 0E+0 - -1.000Zn+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 = Zn(SeCn)2 - log_k 113.710 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.1371E+2 0E+0 0E+0 0E+0 0E+0 - -1.000Zn+2 + 1.000SeO4-2 = Zn(SeO4) - log_k 2.160 #05OLI/NOL - delta_h 4.600 #kJ/mol #05OLI/NOL - # Enthalpy of formation: -752.29 #kJ/mol - -analytic 2.96588E+0 0E+0 -2.40274E+2 0E+0 0E+0 - -4.000CO3-2 + 1.000Zr+4 = Zr(CO3)4-4 - log_k 42.900 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.29E+1 0E+0 0E+0 0E+0 0E+0 - -2.000NO3- + 1.000Zr+4 = Zr(NO3)2+2 - log_k 2.640 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.64E+0 0E+0 0E+0 0E+0 0E+0 - -- 1.000H+ + 1.000Zr+4 + 1.000H2O = Zr(OH)+3 - log_k 0.320 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.2E-1 0E+0 0E+0 0E+0 0E+0 - -- 2.000H+ + 1.000Zr+4 + 2.000H2O = Zr(OH)2+2 - log_k 0.980 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.8E-1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 1.000Zr+4 + 4.000H2O = Zr(OH)4 - log_k -2.190 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.19E+0 0E+0 0E+0 0E+0 0E+0 - -- 6.000H+ + 1.000Zr+4 + 6.000H2O = Zr(OH)6-2 - log_k -29.000 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.9E+1 0E+0 0E+0 0E+0 0E+0 - -2.000SO4-2 + 1.000Zr+4 = Zr(SO4)2 - log_k 11.540 #05BRO/CUR - delta_h 67.380 #kJ/mol - # Enthalpy of formation: -2359.8 #kJ/mol #05BRO/CUR - -analytic 2.33445E+1 0E+0 -3.5195E+3 0E+0 0E+0 - -3.000SO4-2 + 1.000Zr+4 = Zr(SO4)3-2 - log_k 14.300 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.43E+1 0E+0 0E+0 0E+0 0E+0 - -- 4.000H+ + 3.000Zr+4 + 4.000H2O = Zr3(OH)4+8 - log_k 0.400 #05BRO/CUR - delta_h -1.980 #kJ/mol - # Enthalpy of formation: -2970.8 #kJ/mol #05BRO/CUR - -analytic 5.31194E-2 0E+0 1.03422E+2 0E+0 0E+0 - -- 15.000H+ + 4.000Zr+4 + 15.000H2O = Zr4(OH)15+ - log_k 12.580 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.258E+1 0E+0 0E+0 0E+0 0E+0 - -- 16.000H+ + 4.000Zr+4 + 16.000H2O = Zr4(OH)16 - log_k 8.390 #05BRO/CUR - delta_h 301.120 #kJ/mol - # Enthalpy of formation: -6706.16 #kJ/mol #05BRO/CUR - -analytic 6.11439E+1 0E+0 -1.57286E+4 0E+0 0E+0 - -1.000Cl- + 1.000Zr+4 = ZrCl+3 - log_k 1.590 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.59E+0 0E+0 0E+0 0E+0 0E+0 - -2.000Cl- + 1.000Zr+4 = ZrCl2+2 - log_k 2.170 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.17E+0 0E+0 0E+0 0E+0 0E+0 - -1.000F- + 1.000Zr+4 = ZrF+3 - log_k 10.120 #05BRO/CUR - delta_h -17.500 #kJ/mol #05BRO/CUR - # Enthalpy of formation: -961.35 #kJ/mol - -analytic 7.05414E+0 0E+0 9.14087E+2 0E+0 0E+0 - -2.000F- + 1.000Zr+4 = ZrF2+2 - log_k 18.550 #05BRO/CUR - delta_h -16.800 #kJ/mol #05BRO/CUR - # Enthalpy of formation: -1296 #kJ/mol - -analytic 1.56068E+1 0E+0 8.77524E+2 0E+0 0E+0 - -3.000F- + 1.000Zr+4 = ZrF3+ - log_k 24.720 #05BRO/CUR - delta_h -11.200 #kJ/mol #05BRO/CUR - # Enthalpy of formation: -1625.75 #kJ/mol - -analytic 2.27578E+1 0E+0 5.85016E+2 0E+0 0E+0 - -4.000F- + 1.000Zr+4 = ZrF4 - log_k 30.110 #05BRO/CUR - delta_h -22.000 #kJ/mol #05BRO/CUR - # Enthalpy of formation: -1971.9 #kJ/mol - -analytic 2.62558E+1 0E+0 1.14914E+3 0E+0 0E+0 - -5.000F- + 1.000Zr+4 = ZrF5- - log_k 34.600 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.46E+1 0E+0 0E+0 0E+0 0E+0 - -6.000F- + 1.000Zr+4 = ZrF6-2 - log_k 38.110 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.811E+1 0E+0 0E+0 0E+0 0E+0 - -1.000NO3- + 1.000Zr+4 = ZrNO3+3 - log_k 1.590 #05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.59E+0 0E+0 0E+0 0E+0 0E+0 - -1.000SO4-2 + 1.000Zr+4 = ZrSO4+2 - log_k 7.040 #05BRO/CUR - delta_h 36.940 #kJ/mol - # Enthalpy of formation: -1480.9 #kJ/mol #05BRO/CUR - -analytic 1.35116E+1 0E+0 -1.92951E+3 0E+0 0E+0 ++1.000Acetate- = Acetate- + log_k +0.00 +# Enthalpy of formation: -486.010 kJ/mol 82WAG/EVA + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Adipate-2 = Adipate-2 + log_k +0.00 + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ag+ = Ag+ + log_k +0.00 +# Enthalpy of formation: +105.790 kJ/mol 95SIL/BID + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 = Al+3 + log_k +0.00 +# Enthalpy of formation: -538.400 kJ/mol 95POK/HEL + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Am+3 = Am+3 + log_k +0.00 +# Enthalpy of formation: -616.700 kJ/mol 95SIL/BID + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000AsO4-3 = AsO4-3 + log_k +0.00 +# Enthalpy of formation: -888.140 kJ/mol 09RAN/FUG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000B(OH)4- = B(OH)4- + log_k +0.00 +# Enthalpy of formation: -1345.116 kJ/mol 99RAR/RAN + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ba+2 = Ba+2 + log_k +0.00 +# Enthalpy of formation: -534.800 kJ/mol 95SIL/BID + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Be+2 = Be+2 + log_k +0.00 +# Enthalpy of formation: -382.800 kJ/mol 89COX/WAG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Br- = Br- + log_k +0.00 +# Enthalpy of formation: -121.410 kJ/mol 95SIL/BID + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 = Ca+2 + log_k +0.00 +# Enthalpy of formation: -543.000 kJ/mol 89COX/WAG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cd+2 = Cd+2 + log_k +0.00 +# Enthalpy of formation: -75.920 kJ/mol 89COX/WAG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cit-3 = Cit-3 + log_k +0.00 +# Enthalpy of formation: -1519.920 kJ/mol 05HUM/AND + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cl- = Cl- + log_k +0.00 +# Enthalpy of formation: -167.080 kJ/mol 89COX/WAG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cm+3 = Cm+3 + log_k +0.00 +# Enthalpy of formation: -615.000 kJ/mol 01KON2 + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Co+2 = Co+2 + log_k +0.00 +# Enthalpy of formation: -57.600 kJ/mol 98PLY/ZHA1 + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000CO3-2 = CO3-2 + log_k +0.00 +# Enthalpy of formation: -675.230 kJ/mol 89COX/WAG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000CrO4-2 = CrO4-2 + log_k +0.00 +# Enthalpy of formation: -879.000 kJ/mol + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cs+ = Cs+ + log_k +0.00 +# Enthalpy of formation: -258.000 kJ/mol 95SIL/BID + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cu+2 = Cu+2 + log_k +0.00 +# Enthalpy of formation: +64.900 kJ/mol 92GRE/FUG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000e- = e- + log_k +0.00 +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Edta-4 = Edta-4 + log_k +0.00 +# Enthalpy of formation: -1704.800 kJ/mol 05HUM/AND + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 = Eu+3 + log_k +0.00 +# Enthalpy of formation: -605.325 kJ/mol + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000F- = F- + log_k +0.00 +# Enthalpy of formation: -335.350 kJ/mol 95SIL/BID + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 = Fe+2 + log_k +0.00 +# Enthalpy of formation: -90.295 kJ/mol 13LEM/BER + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ = H+ + log_k +0.00 +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H2(PO4)- = H2(PO4)- + log_k +0.00 +# Enthalpy of formation: -1302.600 kJ/mol 89COX/WAG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H2O = H2O + log_k +0.00 +# Enthalpy of formation: -285.830 kJ/mol 89COX/WAG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H4(SiO4) = H4(SiO4) + log_k +0.00 +# Enthalpy of formation: -1461.194 kJ/mol + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Hf+4 = Hf+4 + log_k +0.00 +# Enthalpy of formation: -628.910 kJ/mol 99VAS/LYT + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Hg+2 = Hg+2 + log_k +0.00 +# Enthalpy of formation: +170.210 kJ/mol 89COX/WAG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000HGlu- = HGlu- + log_k +0.00 + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000HIsa- = HIsa- + log_k +0.00 + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ho+3 = Ho+3 + log_k +0.00 +# Enthalpy of formation: -707.042 kJ/mol + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000I- = I- + log_k +0.00 +# Enthalpy of formation: -56.780 kJ/mol 92GRE/FUG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000K+ = K+ + log_k +0.00 +# Enthalpy of formation: -252.140 kJ/mol 89COX/WAG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Li+ = Li+ + log_k +0.00 +# Enthalpy of formation: -278.470 kJ/mol 92GRE/FUG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Malonate-2 = Malonate-2 + log_k +0.00 + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 = Mg+2 + log_k +0.00 +# Enthalpy of formation: -467.000 kJ/mol 89COX/WAG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 = Mn+2 + log_k +0.00 +# Enthalpy of formation: -220.800 kJ/mol 95ROB/HEM + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000MoO4-2 = MoO4-2 + log_k +0.00 +# Enthalpy of formation: -997.000 kJ/mol 74OHA + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Na+ = Na+ + log_k +0.00 +# Enthalpy of formation: -240.340 kJ/mol 92GRE/FUG (89COX/WAG) + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Nb(OH)6- = Nb(OH)6- + log_k +0.00 +# Enthalpy of formation: -1925.658 kJ/mol + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 = Ni+2 + log_k +0.00 +# Enthalpy of formation: -55.012 kJ/mol 05GAM/BUG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NO3- = NO3- + log_k +0.00 +# Enthalpy of formation: -206.850 kJ/mol 92GRE/FUG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+2 = NpO2+2 + log_k +0.00 +# Enthalpy of formation: -860.733 kJ/mol 01LEM/FUG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Nta-3 = Nta-3 + log_k +0.00 + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ox-2 = Ox-2 + log_k +0.00 +# Enthalpy of formation: -830.660 kJ/mol 05HUM/AND + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pa+4 = Pa+4 + log_k +0.00 +# Enthalpy of formation: -620.000 kJ/mol 85BAR/PAR + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pb+2 = Pb+2 + log_k +0.00 +# Enthalpy of formation: +0.920 kJ/mol 89COX/WAG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pd+2 = Pd+2 + log_k +0.00 +# Enthalpy of formation: +189.889 kJ/mol + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Phthalat-2 = Phthalat-2 + log_k +0.00 + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 = PuO2+2 + log_k +0.00 +# Enthalpy of formation: -822.036 kJ/mol 01LEM/FUG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pyrophos-4 = Pyrophos-4 + log_k +0.00 + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ra+2 = Ra+2 + log_k +0.00 +# Enthalpy of formation: -528.025 kJ/mol + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Rb+ = Rb+ + log_k +0.00 +# Enthalpy of formation: -251.120 kJ/mol 92GRE/FUG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sb(OH)3 = Sb(OH)3 + log_k +0.00 +# Enthalpy of formation: -773.893 kJ/mol + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000SeO4-2 = SeO4-2 + log_k +0.00 +# Enthalpy of formation: -603.500 kJ/mol 05OLI/NOL + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sm+3 = Sm+3 + log_k +0.00 +# Enthalpy of formation: -691.198 kJ/mol + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 = Sn+2 + log_k +0.00 +# Enthalpy of formation: -9.617 kJ/mol 12GAM/GAJ + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000SO4-2 = SO4-2 + log_k +0.00 +# Enthalpy of formation: -909.340 kJ/mol 89COX/WAG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 = Sr+2 + log_k +0.00 +# Enthalpy of formation: -550.900 kJ/mol 84BUS/PLUS + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Suberate-2 = Suberate-2 + log_k +0.00 + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Succinat-2 = Succinat-2 + log_k +0.00 + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000TcO(OH)2 = TcO(OH)2 + log_k +0.00 +# Enthalpy of formation: -749.243 kJ/mol + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 = Th+4 + log_k +0.00 +# Enthalpy of formation: -768.700 kJ/mol 09RAN/FUG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 = UO2+2 + log_k +0.00 +# Enthalpy of formation: -1019.000 kJ/mol 92GRE/FUG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Zn+2 = Zn+2 + log_k +0.00 +# Enthalpy of formation: -153.390 kJ/mol 92GRE/FUG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Zr+4 = Zr+4 + log_k +0.00 +# Enthalpy of formation: -608.500 kJ/mol 05BRO/CUR + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Am+3 +1.000e- = Am+2 + log_k -38.88 #95SIL/BID + delta_h +262.076 #kJ/mol +# Enthalpy of formation: -354.624 kJ/mol + -analytic 70.33744E-1 00.00000E+0 -13.68918E+3 00.00000E+0 00.00000E+0 + ++1.000Am+3 -1.000e- = Am+4 + log_k -44.21 + delta_h +210.700 #kJ/mol +# Enthalpy of formation: -406.000 kJ/mol 95SIL/BID + -analytic -72.96945E-1 00.00000E+0 -11.00563E+3 00.00000E+0 00.00000E+0 + +-4.000H+ +1.000Am+3 -2.000e- +2.000H2O = AmO2+ + log_k -58.37 + delta_h +384.100 #kJ/mol 95SIL/BID +# Enthalpy of formation: -804.260 kJ/mol + -analytic 89.21431E-1 00.00000E+0 -20.06294E+3 00.00000E+0 00.00000E+0 + +-4.000H+ +1.000Am+3 -3.000e- +2.000H2O = AmO2+2 + log_k -85.35 + delta_h +537.600 #kJ/mol 95SIL/BID +# Enthalpy of formation: -650.760 kJ/mol + -analytic 88.33477E-1 00.00000E+0 -28.08080E+3 00.00000E+0 00.00000E+0 + ++10.000H+ +8.000e- +1.000CO3-2 -3.000H2O = CH4 + log_k +37.93 + delta_h -270.166 #kJ/mol +# Enthalpy of formation: -87.906 kJ/mol 01SCH/SHO + -analytic -94.01051E-1 00.00000E+0 14.11175E+3 00.00000E+0 00.00000E+0 + ++8.000H+ +4.000e- +1.000CrO4-2 -4.000H2O = Cr+2 + log_k +67.22 #04CHI + delta_h -421.933 #kJ/mol +# Enthalpy of formation: -157.614 kJ/mol + -analytic -66.99489E-1 00.00000E+0 22.03910E+3 00.00000E+0 00.00000E+0 + ++8.000H+ +3.000e- +1.000CrO4-2 -4.000H2O = Cr+3 + log_k +73.62 + delta_h -504.820 #kJ/mol +# Enthalpy of formation: -240.500 kJ/mol 04CHI + -analytic -14.82067E+0 00.00000E+0 26.36859E+3 00.00000E+0 00.00000E+0 + ++1.000Cu+2 +1.000e- = Cu+ + log_k +2.83 #80CIA/FER + delta_h +5.689 #kJ/mol +# Enthalpy of formation: +70.589 kJ/mol + -analytic 38.26670E-1 00.00000E+0 -29.71572E+1 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +1.000e- = Eu+2 + log_k -5.97 + delta_h +77.723 #kJ/mol +# Enthalpy of formation: -527.602 kJ/mol 92JOH/OEL + -analytic 76.46485E-1 00.00000E+0 -40.59755E+2 00.00000E+0 00.00000E+0 + ++1.000Fe+2 -1.000e- = Fe+3 + log_k -13.05 + delta_h +40.239 #kJ/mol +# Enthalpy of formation: -50.056 kJ/mol 13LEM/BER + -analytic -60.00430E-1 00.00000E+0 -21.01829E+2 00.00000E+0 00.00000E+0 + ++2.000H+ +2.000e- = H2 + log_k -3.08 + delta_h -4.200 #kJ/mol +# Enthalpy of formation: -4.200 kJ/mol 82WAG/EVA + -analytic -38.15808E-1 00.00000E+0 21.93813E+1 00.00000E+0 00.00000E+0 + ++5.000H+ +2.000e- +1.000AsO4-3 -1.000H2O = H3(AsO3) + log_k +40.02 + delta_h -139.890 #kJ/mol +# Enthalpy of formation: -742.200 kJ/mol 09RAN/FUG + -analytic 15.51232E+0 00.00000E+0 73.06964E+2 00.00000E+0 00.00000E+0 + ++2.000e- +2.000Hg+2 = Hg2+2 + log_k +30.79 + delta_h -173.600 #kJ/mol +# Enthalpy of formation: +166.820 kJ/mol 85BAR/PAR + -analytic 37.65855E-2 00.00000E+0 90.67760E+2 00.00000E+0 00.00000E+0 + ++9.000H+ +8.000e- +1.000SO4-2 -4.000H2O = HS- + log_k +33.69 + delta_h -250.280 #kJ/mol +# Enthalpy of formation: -16.300 kJ/mol 89COX/WAG + -analytic -10.15717E+0 00.00000E+0 13.07303E+3 00.00000E+0 00.00000E+0 + ++9.000H+ +8.000e- +1.000SeO4-2 -4.000H2O = HSe- + log_k +81.57 + delta_h -525.520 #kJ/mol +# Enthalpy of formation: +14.300 kJ/mol 05OLI/NOL + -analytic -10.49715E+0 00.00000E+0 27.44982E+3 00.00000E+0 00.00000E+0 + +-6.000H+ -6.000e- +1.000I- +3.000H2O = IO3- + log_k -111.56 + delta_h +694.570 #kJ/mol +# Enthalpy of formation: -219.700 kJ/mol 92GRE/FUG + -analytic 10.12344E+0 00.00000E+0 -36.27992E+3 00.00000E+0 00.00000E+0 + ++9.000H+ +8.000e- +1.000NO3- -3.000H2O = NH3 + log_k +109.90 + delta_h -731.810 #kJ/mol +# Enthalpy of formation: -81.170 kJ/mol 95SIL/BID + -analytic -18.30761E+0 00.00000E+0 38.22510E+3 00.00000E+0 00.00000E+0 + ++1.000Np+4 +1.000e- = Np+3 + log_k +3.70 + delta_h +28.838 #kJ/mol +# Enthalpy of formation: -527.184 kJ/mol 01LEM/FUG + -analytic 87.52201E-1 00.00000E+0 -15.06314E+2 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +4.000H+ +1.000e- -2.000H2O = Np+4 + log_k +10.21 + delta_h -149.501 #kJ/mol +# Enthalpy of formation: -556.022 kJ/mol 03GUI/FAN + -analytic -15.98145E+0 00.00000E+0 78.08981E+2 00.00000E+0 00.00000E+0 + ++1.000NpO2+2 +1.000e- = NpO2+ + log_k +19.59 + delta_h -117.448 #kJ/mol +# Enthalpy of formation: -978.181 kJ/mol 01LEM/FUG + -analytic -98.60064E-2 00.00000E+0 61.34736E+2 00.00000E+0 00.00000E+0 + +-4.000H+ -4.000e- +2.000H2O = O2 + log_k -85.99 + delta_h +559.526 #kJ/mol +# Enthalpy of formation: -12.134 kJ/mol 89SHO/HEL (Uncertainty in order to cover available data) + -analytic 12.03475E+0 00.00000E+0 -29.22608E+3 00.00000E+0 00.00000E+0 + +-4.000H+ -1.000e- +1.000Pa+4 +2.000H2O = PaO2+ + log_k +4.22 #85BAR/PAR, 76BAE/MES + -analytic 42.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +1.000e- = Pu+3 + log_k +17.69 + delta_h -51.895 #kJ/mol +# Enthalpy of formation: -591.790 kJ/mol 01LEM/FUG + -analytic 85.98386E-1 00.00000E+0 27.10665E+2 00.00000E+0 00.00000E+0 + ++1.000PuO2+ +4.000H+ +1.000e- -2.000H2O = Pu+4 + log_k +17.45 + delta_h -201.428 #kJ/mol +# Enthalpy of formation: -539.895 kJ/mol 01LEM/FUG + -analytic -17.83867E+0 00.00000E+0 10.52132E+3 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 +1.000e- = PuO2+ + log_k +15.82 + delta_h -88.091 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -910.127 kJ/mol + -analytic 38.71193E-2 00.00000E+0 46.01313E+2 00.00000E+0 00.00000E+0 + ++10.000H+ +8.000e- +2.000SO4-2 -5.000H2O = S2O3-2 + log_k +38.57 + delta_h -262.756 #kJ/mol +# Enthalpy of formation: -652.286 kJ/mol 04CHI + -analytic -74.62875E-1 00.00000E+0 13.72470E+3 00.00000E+0 00.00000E+0 + ++8.000H+ +6.000e- +2.000SO4-2 -4.000H2O = S2O4-2 + log_k +10.70 + delta_h -78.140 #kJ/mol +# Enthalpy of formation: -753.500 kJ/mol 82WAG/EVA + -analytic -29.89540E-1 00.00000E+0 40.81536E+2 00.00000E+0 00.00000E+0 + +-2.000H+ -2.000e- +1.000Sb(OH)3 +2.000H2O = Sb(OH)5 + log_k -21.74 #99LOT/OCH recalculated + -analytic -21.74000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +2.000e- +1.000SeO4-2 -1.000H2O = SeO3-2 + log_k +28.04 #05OLI/NOL + delta_h -189.490 #kJ/mol +# Enthalpy of formation: -507.160 kJ/mol 05OLI/NOL + -analytic -51.57223E-1 00.00000E+0 98.97752E+2 00.00000E+0 00.00000E+0 + ++1.000Sn+2 -2.000e- = Sn+4 + log_k -12.98 #12GAM/GAJ; Eº=0.384V for Sn2+/Sn4+ reaction ( I=0) + delta_h -21.894 #kJ/mol +# Enthalpy of formation: -31.511 kJ/mol + -analytic -16.81566E+0 00.00000E+0 11.43603E+2 00.00000E+0 00.00000E+0 + ++2.000H+ +2.000e- +1.000SO4-2 -1.000H2O = SO3-2 + log_k -3.62 + delta_h -7.550 #kJ/mol +# Enthalpy of formation: -631.060 kJ/mol 85GOL/PAR + -analytic -49.42703E-1 00.00000E+0 39.43640E+1 00.00000E+0 00.00000E+0 + ++1.000TcO(OH)2 -4.000H+ -3.000e- +1.000H2O = TcO4- + log_k -30.17 + delta_h +305.673 #kJ/mol +# Enthalpy of formation: -729.400 kJ/mol 99RAR/RAN + -analytic 23.38161E+0 00.00000E+0 -15.96641E+3 00.00000E+0 00.00000E+0 + ++1.000e- +1.000TcO4- = TcO4-2 + log_k -10.80 #20GRE/GAO + -analytic -10.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 +1.000e- = U+3 + log_k -9.35 #92GRE/FUG + delta_h +102.100 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -489.100 kJ/mol + -analytic 85.37152E-1 00.00000E+0 -53.33054E+2 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +4.000H+ +2.000e- -2.000H2O = U+4 + log_k +9.04 #92GRE/FUG + delta_h -143.860 #kJ/mol +# Enthalpy of formation: -591.200 kJ/mol 92GRE/FUG + -analytic -16.16319E+0 00.00000E+0 75.14331E+2 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000e- = UO2+ + log_k +1.48 + delta_h -6.127 #kJ/mol +# Enthalpy of formation: -1025.127 kJ/mol + -analytic 40.65957E-2 00.00000E+0 32.00355E+1 00.00000E+0 00.00000E+0 + +-2.000H+ +2.000CH4 +1.000Hg+2 = (CH3)2Hg + log_k +19.00 #18BLA/BUR + -analytic 19.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-3.000H+ +2.000CH4 +1.000H2O +2.000Hg+2 = (CH3Hg)2OH+ + log_k +3.85 #18BLA/BUR + -analytic 38.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000NpO2+2 -2.000H+ +2.000H2O = (NpO2)2(OH)2+2 + log_k -6.27 #01LEM/FUG + delta_h +44.995 #kJ/mol +# Enthalpy of formation: -2248.130 kJ/mol + -analytic 16.12786E-1 00.00000E+0 -23.50253E+2 00.00000E+0 00.00000E+0 + ++2.000NpO2+2 -3.000H+ +1.000CO3-2 +3.000H2O = (NpO2)2CO3(OH)3- + log_k -1.78 #20GRE/GAO + -analytic -17.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000NpO2+2 +6.000CO3-2 = (NpO2)3(CO3)6-6 + log_k +51.43 #20GRE/GAO + -analytic 51.43000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000NpO2+2 -5.000H+ +5.000H2O = (NpO2)3(OH)5+ + log_k -17.12 #01LEM/FUG + delta_h +110.665 #kJ/mol +# Enthalpy of formation: -3900.682 kJ/mol + -analytic 22.67676E-1 00.00000E+0 -57.80436E+2 00.00000E+0 00.00000E+0 + ++2.000PuO2+2 -2.000H+ +2.000H2O = (PuO2)2(OH)2+2 + log_k -7.50 #01LEM/FUG + delta_h +43.583 #kJ/mol +# Enthalpy of formation: -2172.149 kJ/mol + -analytic 13.54138E-2 00.00000E+0 -22.76499E+2 00.00000E+0 00.00000E+0 + ++3.000PuO2+2 +6.000CO3-2 = (PuO2)3(CO3)6-6 + log_k +51.00 #20GRE/GAO + -analytic 51.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++11.000UO2+2 -12.000H+ +6.000CO3-2 +12.000H2O = (UO2)11(CO3)6(OH)12-2 + log_k +36.40 #03GUI/FAN + -analytic 36.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000UO2+2 -1.000H+ +1.000Cit-3 +1.000H2O = (UO2)2(Cit)(OH) + log_k +9.65 #12BER/CRE + -analytic 96.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000UO2+2 -2.000H+ +1.000Cit-3 +2.000H2O = (UO2)2(Cit)(OH)2- + log_k +5.30 #12BER/CRE + -analytic 53.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000UO2+2 -2.000H+ +2.000Cit-3 +2.000H2O = (UO2)2(Cit)2(OH)2-4 + log_k +9.29 #12BER/CRE + -analytic 92.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000UO2+2 -1.000H+ +2.000Cit-3 +1.000H2O = (UO2)2(Cit)2(OH)-3 + log_k +16.04 #12BER/CRE + -analytic 16.04000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000UO2+2 +2.000Cit-3 = (UO2)2(Cit)2-2 + log_k +21.30 #05HUM/AND + -analytic 21.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000UO2+2 -3.000H+ +1.000CO3-2 +3.000H2O = (UO2)2(CO3)(OH)3- + log_k -0.86 #03GUI/FAN + -analytic -86.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000UO2+2 +1.000Edta-4 = (UO2)2(Edta) + log_k +20.60 #05HUM/AND + -analytic 20.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000UO2+2 +1.000NpO2+2 +6.000CO3-2 = (UO2)2(NpO2)(CO3)6-6 + log_k +53.59 #01LEM/FUG + -analytic 53.59000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000UO2+2 -1.000H+ +1.000H2O = (UO2)2(OH)+3 + log_k -2.70 #92GRE/FUG + delta_h +14.353 #kJ/mol +# Enthalpy of formation: -2309.477 kJ/mol + -analytic -18.54623E-2 00.00000E+0 -74.97094E+1 00.00000E+0 00.00000E+0 + ++2.000UO2+2 -2.000H+ +2.000H2O = (UO2)2(OH)2+2 + log_k -5.62 #20GRE/GAO + delta_h +47.800 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2561.860 kJ/mol + -analytic 27.54201E-1 00.00000E+0 -24.96768E+2 00.00000E+0 00.00000E+0 + ++3.000UO2+2 -3.000H+ +1.000CO3-2 +3.000H2O = (UO2)3(CO3)(OH)3+ + log_k +0.66 #03GUI/FAN + delta_h +81.131 #kJ/mol +# Enthalpy of formation: -4508.589 kJ/mol + -analytic 14.87354E+0 00.00000E+0 -42.37767E+2 00.00000E+0 00.00000E+0 + ++3.000UO2+2 +6.000CO3-2 = (UO2)3(CO3)6-6 + log_k +54.00 #92GRE/FUG + delta_h -62.700 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -7171.080 kJ/mol + -analytic 43.01543E+0 00.00000E+0 32.75049E+2 00.00000E+0 00.00000E+0 + ++3.000UO2+2 -4.000H+ +4.000H2O = (UO2)3(OH)4+2 + log_k -11.90 #92GRE/FUG + delta_h +99.200 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -4101.120 kJ/mol + -analytic 54.79094E-1 00.00000E+0 -51.81577E+2 00.00000E+0 00.00000E+0 + ++3.000UO2+2 -5.000H+ +5.000H2O = (UO2)3(OH)5+ + log_k -15.55 #92GRE/FUG + delta_h +120.700 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -4365.450 kJ/mol + -analytic 55.95732E-1 00.00000E+0 -63.04600E+2 00.00000E+0 00.00000E+0 + ++3.000UO2+2 -7.000H+ +7.000H2O = (UO2)3(OH)7- + log_k -32.20 #92SAN/BRU + delta_h +227.015 #kJ/mol +# Enthalpy of formation: -4830.794 kJ/mol + -analytic 75.71321E-1 00.00000E+0 -11.85782E+3 00.00000E+0 00.00000E+0 + ++4.000UO2+2 -7.000H+ +7.000H2O = (UO2)4(OH)7+ + log_k -21.90 #92GRE/FUG + -analytic -21.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ag+ +2.000CO3-2 = Ag(CO3)2-3 + log_k +2.16 #97SVE/SHO + delta_h -28.115 #kJ/mol +# Enthalpy of formation: -1272.786 kJ/mol + -analytic -27.65537E-1 00.00000E+0 14.68549E+2 00.00000E+0 00.00000E+0 + ++1.000Ag+ +1.000HS- = Ag(HS) + log_k +14.05 #74NAU/RYZ in 91BAL/NOR; Uncertainty to include available data. + delta_h -78.811 #kJ/mol +# Enthalpy of formation: +10.679 kJ/mol + -analytic 24.29055E-2 00.00000E+0 41.16585E+2 00.00000E+0 00.00000E+0 + ++1.000Ag+ +2.000HS- = Ag(HS)2- + log_k +18.45 #74NAU/RYZ in 91BAL/NOR; Uncertainty to include available data. + delta_h -105.805 #kJ/mol +# Enthalpy of formation: -32.615 kJ/mol + -analytic -86.24032E-3 00.00000E+0 55.26580E+2 00.00000E+0 00.00000E+0 + ++1.000Ag+ -1.000H+ +1.000H2O = Ag(OH) + log_k -12.00 #76BAE/MES + delta_h +47.198 #kJ/mol +# Enthalpy of formation: -132.842 kJ/mol + -analytic -37.31265E-1 00.00000E+0 -24.65323E+2 00.00000E+0 00.00000E+0 + ++1.000Ag+ -2.000H+ +2.000H2O = Ag(OH)2- + log_k -24.00 #76BAE/MES + delta_h +111.635 #kJ/mol +# Enthalpy of formation: -354.235 kJ/mol + -analytic -44.42388E-1 00.00000E+0 -58.31102E+2 00.00000E+0 00.00000E+0 + ++1.000Ag+ +1.000S2O3-2 = Ag(S2O3)- + log_k +9.23 #74BEL/MAR in 82HÖG + delta_h -58.994 #kJ/mol 74BEL/MAR in 82HÖG +# Enthalpy of formation: -605.490 kJ/mol + -analytic -11.05305E-1 00.00000E+0 30.81471E+2 00.00000E+0 00.00000E+0 + ++1.000Ag+ +2.000S2O3-2 = Ag(S2O3)2-3 + log_k +13.64 #72POU/RIG in 82HÖG + delta_h -86.918 #kJ/mol +# Enthalpy of formation: -1285.700 kJ/mol 82WAG/EVA + -analytic -15.87380E-1 00.00000E+0 45.40043E+2 00.00000E+0 00.00000E+0 + ++1.000Ag+ +1.000SeO3-2 = Ag(SeO3)- + log_k +3.20 #Data from 68MEH and 69MEH/GUB in 05OLI/NOL corrected to I=0 by DH + -analytic 32.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ag+ +1.000SO3-2 = Ag(SO3)- + log_k +5.43 + -analytic 54.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ag+ +1.000SO4-2 = Ag(SO4)- + log_k +1.38 + delta_h +4.645 #kJ/mol +# Enthalpy of formation: -798.904 kJ/mol + -analytic 21.93769E-1 00.00000E+0 -24.26252E+1 00.00000E+0 00.00000E+0 + ++1.000Ag+ +1.000Br- = AgBr + log_k +4.24 #91BAL/NOR, 68WAG + delta_h -23.129 #kJ/mol +# Enthalpy of formation: -38.748 kJ/mol + -analytic 18.79731E-2 00.00000E+0 12.08112E+2 00.00000E+0 00.00000E+0 + ++1.000Ag+ +2.000Br- = AgBr2- + log_k +7.28 #91BAL/NOR, 68WAG + delta_h -45.296 #kJ/mol +# Enthalpy of formation: -182.325 kJ/mol + -analytic -65.55186E-2 00.00000E+0 23.65975E+2 00.00000E+0 00.00000E+0 + ++1.000Ag+ +3.000Br- = AgBr3-2 + log_k +8.71 #91BAL/NOR, 68WAG + delta_h -66.741 #kJ/mol +# Enthalpy of formation: -325.180 kJ/mol + -analytic -29.82521E-1 00.00000E+0 34.86125E+2 00.00000E+0 00.00000E+0 + ++1.000Ag+ +1.000Cl- = AgCl + log_k +3.27 #91BAL/NOR; Uncertainty to include available data. + delta_h -17.100 #kJ/mol +# Enthalpy of formation: -78.390 kJ/mol + -analytic 27.42086E-2 00.00000E+0 89.31952E+1 00.00000E+0 00.00000E+0 + ++1.000Ag+ +2.000Cl- = AgCl2- + log_k +5.27 #91BAL/NOR; Uncertainty to include available data. + delta_h -28.754 #kJ/mol +# Enthalpy of formation: -257.124 kJ/mol + -analytic 23.25154E-2 00.00000E+0 15.01926E+2 00.00000E+0 00.00000E+0 + ++1.000Ag+ +3.000Cl- = AgCl3-2 + log_k +5.29 #91BAL/NOR; Uncertainty to include available data. + delta_h -29.167 #kJ/mol +# Enthalpy of formation: -424.616 kJ/mol + -analytic 18.01609E-2 00.00000E+0 15.23499E+2 00.00000E+0 00.00000E+0 + ++1.000Ag+ +4.000Cl- = AgCl4-3 + log_k +5.51 #91BAL/NOR; Uncertainty to include available data. + delta_h -26.099 #kJ/mol +# Enthalpy of formation: -588.628 kJ/mol + -analytic 93.76515E-2 00.00000E+0 13.63246E+2 00.00000E+0 00.00000E+0 + ++1.000Ag+ +1.000CO3-2 = AgCO3- + log_k +2.69 #97SVE/SHO + delta_h -22.838 #kJ/mol +# Enthalpy of formation: -592.278 kJ/mol + -analytic -13.11046E-1 00.00000E+0 11.92912E+2 00.00000E+0 00.00000E+0 + ++1.000Ag+ +1.000I- = AgI + log_k +6.58 #76SMI/MAR + delta_h -36.962 #kJ/mol +# Enthalpy of formation: +12.048 kJ/mol + -analytic 10.45356E-2 00.00000E+0 19.30660E+2 00.00000E+0 00.00000E+0 + ++1.000Ag+ +2.000I- = AgI2- + log_k +11.70 #76SMI/MAR + delta_h -76.578 #kJ/mol +# Enthalpy of formation: -84.347 kJ/mol + -analytic -17.15890E-1 00.00000E+0 39.99948E+2 00.00000E+0 00.00000E+0 + ++1.000Ag+ +3.000I- = AgI3-2 + log_k +13.28 + delta_h -114.914 #kJ/mol +# Enthalpy of formation: -179.463 kJ/mol + -analytic -68.52069E-1 00.00000E+0 60.02376E+2 00.00000E+0 00.00000E+0 + ++1.000Ag+ +1.000NO3- = AgNO3 + log_k -0.29 #91BAL/NOR, 68WAG; Uncertainty to include available data. + delta_h -0.740 #kJ/mol +# Enthalpy of formation: -101.800 kJ/mol 82WAG/EVA + -analytic -41.96424E-2 00.00000E+0 38.65289E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 +1.000Cit-3 = Al(Cit) + log_k +9.90 #95AKR/BOU + -analytic 99.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 -1.000H+ +2.000Cit-3 +1.000H2O = Al(Cit)2(OH)-4 + log_k +10.19 #95AKR/BOU + -analytic 10.19000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 +2.000Cit-3 = Al(Cit)2-3 + log_k +14.13 #95AKR/BOU + -analytic 14.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 +1.000Edta-4 = Al(Edta)- + log_k +19.08 #95AKR/BOU + -analytic 19.08000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 +1.000H+ +1.000Cit-3 = Al(HCit)+ + log_k +12.90 #95AKR/BOU + -analytic 12.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 +1.000H+ +1.000Edta-4 = Al(HEdta) + log_k +21.82 #95AKR/BOU + -analytic 21.82000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 +1.000HGlu- = Al(HGlu)+2 + log_k +3.20 #08LAK/KIS + -analytic 32.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 +1.000H+ +1.000Nta-3 = Al(HNta)+ + log_k +15.13 #95AKR/BOU + -analytic 15.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 +1.000H+ +1.000Ox-2 = Al(HOx)+2 + log_k +7.50 #95AKR/BOU + -analytic 75.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 +1.000IO3- = Al(IO3)+2 + log_k +2.46 #estimation NEA87 08/2/95 + -analytic 24.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 +2.000IO3- = Al(IO3)2+ + log_k +4.30 #estimation NEA87 08/2/95 + -analytic 43.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 +1.000Nta-3 = Al(Nta) + log_k +13.23 #95AKR/BOU + -analytic 13.23000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 -2.000H+ +1.000Nta-3 +2.000H2O = Al(Nta)(OH)2-2 + log_k -0.30 #95AKR/BOU + -analytic -30.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 +2.000Nta-3 = Al(Nta)2-3 + log_k +20.80 #95AKR/BOU + -analytic 20.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 -1.000H+ +1.000Cit-3 +1.000H2O = Al(OH)(Cit)- + log_k +8.10 #95AKR/BOU + -analytic 81.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 -1.000H+ +1.000Edta-4 +1.000H2O = Al(OH)(Edta)-2 + log_k +13.00 #95AKR/BOU + -analytic 13.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 -1.000H+ +1.000HGlu- +1.000H2O = Al(OH)(HGlu)+ + log_k -0.39 #08LAK/KIS + -analytic -39.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 -1.000H+ +2.000HGlu- +1.000H2O = Al(OH)(HGlu)2 + log_k +2.85 #08LAK/KIS + -analytic 28.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 -1.000H+ +1.000Nta-3 +1.000H2O = Al(OH)(Nta)- + log_k +6.79 #95AKR/BOU + -analytic 67.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 -1.000H+ +1.000H2O = Al(OH)+2 + log_k -4.95 #95POK/HEL + delta_h +49.759 #kJ/mol +# Enthalpy of formation: -774.471 kJ/mol + -analytic 37.67403E-1 00.00000E+0 -25.99094E+2 00.00000E+0 00.00000E+0 + ++1.000Al+3 -2.000H+ +1.000Edta-4 +2.000H2O = Al(OH)2(Edta)-3 + log_k +2.30 #95AKR/BOU + -analytic 23.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 -2.000H+ +1.000HGlu- +2.000H2O = Al(OH)2(HGlu) + log_k -4.85 #08LAK/KIS + -analytic -48.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 -2.000H+ +2.000HGlu- +2.000H2O = Al(OH)2(HGlu)2- + log_k -2.60 #08LAK/KIS + -analytic -26.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 -2.000H+ +2.000H2O = Al(OH)2+ + log_k -10.58 + delta_h +98.264 #kJ/mol +# Enthalpy of formation: -1011.796 kJ/mol 95POK/HEL + -analytic 66.35114E-1 00.00000E+0 -51.32686E+2 00.00000E+0 00.00000E+0 + ++1.000Al+3 -2.000H+ +1.000F- +2.000H2O = Al(OH)2F + log_k -4.21 + delta_h +118.636 #kJ/mol +# Enthalpy of formation: -1326.774 kJ/mol 01TAG/SCH + -analytic 16.57414E+0 00.00000E+0 -61.96790E+2 00.00000E+0 00.00000E+0 + ++1.000Al+3 -2.000H+ +2.000F- +2.000H2O = Al(OH)2F2- + log_k -1.99 + delta_h +134.839 #kJ/mol +# Enthalpy of formation: -1645.921 kJ/mol 01TAG/SCH + -analytic 21.63278E+0 00.00000E+0 -70.43131E+2 00.00000E+0 00.00000E+0 + ++1.000Al+3 -3.000H+ +3.000H2O = Al(OH)3 + log_k -16.42 + delta_h +144.686 #kJ/mol +# Enthalpy of formation: -1251.204 kJ/mol 95POK/HEL + -analytic 89.27899E-1 00.00000E+0 -75.57476E+2 00.00000E+0 00.00000E+0 + ++1.000Al+3 -3.000H+ +1.000HGlu- +3.000H2O = Al(OH)3(HGlu)- + log_k -11.11 #08LAK/KIS + -analytic -11.11000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 -4.000H+ +4.000H2O = Al(OH)4- + log_k -22.87 + delta_h +180.881 #kJ/mol +# Enthalpy of formation: -1500.839 kJ/mol 95POK/HEL + -analytic 88.18991E-1 00.00000E+0 -94.48073E+2 00.00000E+0 00.00000E+0 + ++1.000Al+3 -4.000H+ +1.000HGlu- +4.000H2O = Al(OH)4(HGlu)-2 + log_k -20.47 #13PAL/TAS + -analytic -20.47000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 +1.000Ox-2 = Al(Ox)+ + log_k +9.40 #95AKR/BOU + -analytic 94.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 +2.000Ox-2 = Al(Ox)2- + log_k +15.39 #95AKR/BOU + -analytic 15.39000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 +3.000Ox-2 = Al(Ox)3-3 + log_k +18.30 #95AKR/BOU + -analytic 18.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 +1.000SO4-2 = Al(SO4)+ + log_k +3.17 #01TAG/SCH + delta_h +18.869 #kJ/mol +# Enthalpy of formation: -1428.870 kJ/mol + -analytic 64.75707E-1 00.00000E+0 -98.55965E+1 00.00000E+0 00.00000E+0 + ++2.000Al+3 -2.000H+ +4.000Ox-2 +2.000H2O = Al2(Ox)4(OH)2-4 + log_k +22.00 #95AKR/BOU + -analytic 22.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000Al+3 -4.000H+ +3.000Cit-3 +4.000H2O = Al3(Cit)3(OH)4-4 + log_k +20.60 #95AKR/BOU + -analytic 20.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000Al+3 -3.000H+ +3.000Ox-2 +3.000H2O = Al3(Ox)3(OH)3 + log_k +16.00 #95AKR/BOU + -analytic 16.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++4.000Al+3 -4.000H+ +4.000Ox-2 +4.000H2O = Al4(Ox)4(OH)4 + log_k +21.00 #95AKR/BOU + -analytic 21.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 +1.000F- = AlF+2 + log_k +6.98 #01TAG/SCH + delta_h -0.345 #kJ/mol +# Enthalpy of formation: -874.094 kJ/mol + -analytic 69.19559E-1 00.00000E+0 18.02061E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 +2.000F- = AlF2+ + log_k +12.50 #01TAG/SCH + delta_h +74.869 #kJ/mol +# Enthalpy of formation: -1134.230 kJ/mol + -analytic 25.61649E+0 00.00000E+0 -39.10680E+2 00.00000E+0 00.00000E+0 + ++1.000Al+3 +3.000F- = AlF3 + log_k +16.55 #01TAG/SCH + delta_h +0.616 #kJ/mol +# Enthalpy of formation: -1543.833 kJ/mol + -analytic 16.65792E+0 00.00000E+0 -32.17592E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 +4.000F- = AlF4- + log_k +18.93 #01TAG/SCH + delta_h +0.824 #kJ/mol +# Enthalpy of formation: -1878.974 kJ/mol + -analytic 19.07436E+0 00.00000E+0 -43.04052E+0 00.00000E+0 00.00000E+0 + ++1.000Al+3 -1.000H+ +1.000H4(SiO4) = AlH3SiO4+2 + log_k -2.38 #01TAG/SCH + delta_h +77.382 #kJ/mol +# Enthalpy of formation: -1922.212 kJ/mol + -analytic 11.17674E+0 00.00000E+0 -40.41943E+2 00.00000E+0 00.00000E+0 + ++1.000Al+3 -1.000H+ +2.000F- +1.000H2O = AlOHF2 + log_k +0.21 + delta_h +139.337 #kJ/mol +# Enthalpy of formation: -1355.593 kJ/mol 01TAG/SCH + -analytic 24.62079E+0 00.00000E+0 -72.78078E+2 00.00000E+0 00.00000E+0 + ++1.000Am+3 +1.000Acetate- = Am(Acetate)+2 + log_k +2.94 #11RIC/GRI + -analytic 29.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Am+3 +2.000Acetate- = Am(Acetate)2+ + log_k +5.07 #69MOS + -analytic 50.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Am+3 +3.000Acetate- = Am(Acetate)3 + log_k +6.54 #69MOS + -analytic 65.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Am+3 +1.000Cit-3 = Am(Cit) + log_k +8.55 #05HUM/AND + -analytic 85.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Am+3 +2.000Cit-3 = Am(Cit)2-3 + log_k +13.90 #05HUM/AND + -analytic 13.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Am+3 +1.000CO3-2 = Am(CO3)+ + log_k +7.90 #recalculated from 03GUI/FAN + delta_h +18.174 #kJ/mol +# Enthalpy of formation: -1273.757 kJ/mol + -analytic 11.08395E+0 00.00000E+0 -94.92941E+1 00.00000E+0 00.00000E+0 + ++1.000Am+3 +2.000CO3-2 = Am(CO3)2- + log_k +12.60 #recalculated from 03GUI/FAN + -analytic 12.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Am+3 +3.000CO3-2 = Am(CO3)3-3 + log_k +14.60 #Recalculated from 03GUI/FAN + -analytic 14.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Am+3 -1.000e- +5.000CO3-2 = Am(CO3)5-6 + log_k -5.10 #03GUI/FAN + -analytic -51.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Am+3 +1.000Edta-4 = Am(Edta)- + log_k +19.67 #05HUM/AND + delta_h -10.600 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2332.100 kJ/mol + -analytic 17.81296E+0 00.00000E+0 55.36766E+1 00.00000E+0 00.00000E+0 + ++1.000Am+3 +1.000H2(PO4)- = Am(H2PO4)+2 + log_k +2.46 #20GRE/GAO + -analytic 24.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Am+3 +1.000Cit-3 = Am(HCit)+ + log_k +12.86 #05HUM/AND + -analytic 12.86000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000Am+3 +2.000Cit-3 = Am(HCit)2- + log_k +23.52 #05HUM/AND + -analytic 23.52000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Am+3 +1.000CO3-2 = Am(HCO3)+2 + log_k +13.43 #03GUI/FAN + -analytic 13.43000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Am+3 +1.000Edta-4 = Am(HEdta) + log_k +21.84 #05HUM/AND + -analytic 21.84000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Am+3 +1.000H2(PO4)- = Am(HPO4)+ + log_k -1.74 #Estimated by correlation with An(III) in function of ionic radii. + -analytic -17.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000Am+3 +2.000H2(PO4)- = Am(HPO4)2- + log_k -5.30 #Estimated by correlation with An(III) in function of ionic radii. + -analytic -53.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Am+3 +1.000NO3- = Am(NO3)+2 + log_k +1.28 #20GRE/GAO + delta_h +1.800 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -821.750 kJ/mol + -analytic 15.95346E-1 00.00000E+0 -94.02055E+0 00.00000E+0 00.00000E+0 + ++1.000Am+3 +2.000NO3- = Am(NO3)2+ + log_k +0.88 #20GRE/GAO + delta_h +10.800 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1019.600 kJ/mol + -analytic 27.72079E-1 00.00000E+0 -56.41233E+1 00.00000E+0 00.00000E+0 + ++1.000Am+3 +1.000Nta-3 = Am(Nta) + log_k +13.00 #95AKR/BOU + -analytic 13.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Am+3 +1.000H2O = Am(OH)+2 + log_k -7.20 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE + delta_h +41.492 #kJ/mol +# Enthalpy of formation: -861.038 kJ/mol + -analytic 69.08637E-3 00.00000E+0 -21.67278E+2 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000Am+3 +1.000HGlu- +2.000H2O = Am(OH)2(HGlu) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000Am+3 +1.000HIsa- +2.000H2O = Am(OH)2(HIsa) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000Am+3 +2.000H2O = Am(OH)2+ + log_k -15.10 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE + delta_h +94.628 #kJ/mol +# Enthalpy of formation: -1093.732 kJ/mol + -analytic 14.78114E-1 00.00000E+0 -49.42765E+2 00.00000E+0 00.00000E+0 + +-3.000H+ +1.000Am+3 +3.000H2O = Am(OH)3 + log_k -26.20 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE + delta_h +156.808 #kJ/mol +# Enthalpy of formation: -1317.382 kJ/mol + -analytic 12.71582E-1 00.00000E+0 -81.90652E+2 00.00000E+0 00.00000E+0 + ++1.000Am+3 +1.000Ox-2 = Am(Ox)+ + log_k +6.51 #05HUM/AND + -analytic 65.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Am+3 +2.000Ox-2 = Am(Ox)2- + log_k +10.71 #05HUM/AND + -analytic 10.71000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Am+3 +3.000Ox-2 = Am(Ox)3-3 + log_k +13.00 #05HUM/AND + -analytic 13.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Am+3 +1.000Phthalat-2 = Am(Phthalat)+ + log_k +4.93 #In analogy with Cm + -analytic 49.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000Am+3 +1.000H2(PO4)- = Am(PO4) + log_k -7.76 #1. Estimated by correlation with An(III) in function of ionic radii + -analytic -77.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-4.000H+ +1.000Am+3 +2.000H2(PO4)- = Am(PO4)2-3 + log_k -19.41 #Estimated by correlation with An(III) in function of ionic radii. + -analytic -19.41000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Am+3 +1.000SO4-2 = Am(SO4)+ + log_k +3.50 #20GRE/GAO + delta_h +40.000 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1486.040 kJ/mol + -analytic 10.50770E+0 00.00000E+0 -20.89346E+2 00.00000E+0 00.00000E+0 + ++1.000Am+3 +2.000SO4-2 = Am(SO4)2- + log_k +5.00 #20GRE/GAO + delta_h +70.000 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2365.380 kJ/mol + -analytic 17.26347E+0 00.00000E+0 -36.56355E+2 00.00000E+0 00.00000E+0 + ++1.000Am+3 +1.000Cl- = AmCl+2 + log_k +0.24 #20GRE/GAO + delta_h +19.390 #kJ/mol 00YEH/MAD +# Enthalpy of formation: -764.390 kJ/mol + -analytic 36.36982E-1 00.00000E+0 -10.12810E+2 00.00000E+0 00.00000E+0 + ++1.000Am+3 +2.000Cl- = AmCl2+ + log_k -0.81 #20GRE/GAO + delta_h +54.900 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -895.960 kJ/mol + -analytic 88.08067E-1 00.00000E+0 -28.67627E+2 00.00000E+0 00.00000E+0 + ++1.000Am+3 +1.000F- = AmF+2 + log_k +3.40 #20GRE/GAO + delta_h +12.100 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -939.950 kJ/mol + -analytic 55.19829E-1 00.00000E+0 -63.20270E+1 00.00000E+0 00.00000E+0 + ++1.000Am+3 +2.000F- = AmF2+ + log_k +5.80 #20GRE/GAO + delta_h +45.100 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1242.300 kJ/mol + -analytic 13.70118E+0 00.00000E+0 -23.55737E+2 00.00000E+0 00.00000E+0 + ++1.000Am+3 +3.000F- = AmF3 + log_k +10.82 #69AZI/LYL + delta_h +20.407 #kJ/mol +# Enthalpy of formation: -1602.342 kJ/mol + -analytic 14.39515E+0 00.00000E+0 -10.65932E+2 00.00000E+0 00.00000E+0 + ++1.000AmO2+ +1.000CO3-2 = AmO2(CO3)- + log_k +5.10 #03GUI/FAN + -analytic 51.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000AmO2+ +2.000CO3-2 = AmO2(CO3)2-3 + log_k +6.70 #03GUI/FAN + -analytic 67.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000AmO2+ +3.000CO3-2 = AmO2(CO3)3-5 + log_k +5.10 #03GUI/FAN + -analytic 51.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000AmO2+ +2.000H2O = AmO2(OH)2- + log_k -23.60 #03GUI/FAN + -analytic -23.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000AmO2+ +1.000H2O = AmO2OH + log_k -11.30 #03GUI/FAN + -analytic -11.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Am+3 +1.000H4(SiO4) = AmSiO(OH)3+2 + log_k -2.31 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN + delta_h +47.963 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2029.931 kJ/mol + -analytic 60.92757E-1 00.00000E+0 -25.05282E+2 00.00000E+0 00.00000E+0 + +-3.000H+ +1.000H3(AsO3) = AsO3-3 + log_k -38.59 #79IVA/VOR + -analytic -38.59000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000B(OH)4- -1.000H2O = B(OH)3 + log_k +9.24 + delta_h -13.514 #kJ/mol +# Enthalpy of formation: -1072.800 kJ/mol 01LEM/FUG + -analytic 68.72449E-1 00.00000E+0 70.58854E+1 00.00000E+0 00.00000E+0 + ++2.000H+ +3.000B(OH)4- -7.000H2O = B3O5- + log_k +20.90 #97CRO + -analytic 20.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +4.000B(OH)4- -9.000H2O = B4O7-2 + log_k +21.90 #97CRO + -analytic 21.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ba+2 +1.000CO3-2 = Ba(CO3) + log_k +2.71 #86BUS/PLU + delta_h +14.841 #kJ/mol 86BUS/PLU +# Enthalpy of formation: -1195.189 kJ/mol + -analytic 53.10032E-1 00.00000E+0 -77.51994E+1 00.00000E+0 00.00000E+0 + ++1.000Ba+2 +1.000H+ +1.000CO3-2 = Ba(HCO3)+ + log_k +11.31 #86BUS/PLU + delta_h +8.560 #kJ/mol 86BUS/PLU +# Enthalpy of formation: -1201.470 kJ/mol + -analytic 12.80965E+0 00.00000E+0 -44.71199E+1 00.00000E+0 00.00000E+0 + ++1.000Ba+2 +1.000NO3- = Ba(NO3)+ + log_k -0.31 + delta_h +6.819 #kJ/mol +# Enthalpy of formation: -734.831 kJ/mol + -analytic 88.46375E-2 00.00000E+0 -35.61812E+1 00.00000E+0 00.00000E+0 + ++1.000Ba+2 -1.000H+ +1.000H2O = Ba(OH)+ + log_k -13.47 #76BAE/MES + delta_h +87.397 #kJ/mol +# Enthalpy of formation: -733.233 kJ/mol + -analytic 18.41297E-1 00.00000E+0 -45.65063E+2 00.00000E+0 00.00000E+0 + ++1.000Ba+2 +1.000SO4-2 = Ba(SO4) + log_k +2.70 #76SMI/MAR; Uncertainty to include available data. + delta_h +7.367 #kJ/mol +# Enthalpy of formation: -1436.772 kJ/mol + -analytic 39.90643E-1 00.00000E+0 -38.48052E+1 00.00000E+0 00.00000E+0 + ++2.000Ba+2 +1.000UO2+2 +3.000CO3-2 = Ba2UO2(CO3)3 + log_k +29.75 #06DON/BRO + -analytic 29.75000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ba+2 +1.000B(OH)4- = BaB(OH)4+ + log_k +1.49 #80BAS + -analytic 14.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ba+2 +1.000F- = BaF+ + log_k +0.40 + delta_h +6.698 #kJ/mol +# Enthalpy of formation: -863.452 kJ/mol 97SVE/SHO + -analytic 15.73439E-1 00.00000E+0 -34.98609E+1 00.00000E+0 00.00000E+0 + ++1.000Ba+2 +1.000UO2+2 +3.000CO3-2 = BaUO2(CO3)3-2 + log_k +25.60 #20GRE/GAO + -analytic 25.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000CO3-2 +1.000H2O +1.000Be+2 = Be(OH)(CO3)- + log_k +1.85 #87BRU/GRE + -analytic 18.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000H2O +1.000Be+2 = Be(OH)+ + log_k -5.49 #17CAM/COL + -analytic -54.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +2.000H2O +1.000Be+2 = Be(OH)2 + log_k -13.70 #20ÇEV/GAO + -analytic -13.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000CO3-2 +2.000H2O +1.000Be+2 = Be(OH)2(CO3)-2 + log_k -6.04 #87BRU/GRE + -analytic -60.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-3.000H+ +3.000H2O +1.000Be+2 = Be(OH)3- + log_k -24.30 #20ÇEV/GAO + -analytic -24.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-4.000H+ +4.000H2O +1.000Be+2 = Be(OH)4-2 + log_k -37.60 #20ÇEV/GAO + -analytic -37.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000SO4-2 +1.000Be+2 = Be(SO4)2-2 + log_k +3.35 #67SEI/SAK + -analytic 33.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000SO4-2 +1.000Be+2 = Be(SO4)3-4 + log_k +4.58 #67SEI/SAK + -analytic 45.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000H2O +2.000Be+2 = Be2(OH)+3 + log_k -3.47 #87BRU + delta_h +20.420 #kJ/mol 67MES/BAE +# Enthalpy of formation: -1031.010 kJ/mol + -analytic 10.74304E-2 00.00000E+0 -10.66611E+2 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000CO3-2 +1.000H2O +3.000Be+2 = Be3(OH)(CO3)+3 + log_k +9.47 #87BRU/GRE + -analytic 94.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-3.000H+ +3.000CO3-2 +3.000H2O +3.000Be+2 = Be3(OH)3(CO3)3-3 + log_k +9.04 #87BRU/GRE + -analytic 90.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-3.000H+ +3.000H2O +3.000Be+2 = Be3(OH)3+3 + log_k -8.86 #87BRU + delta_h +66.944 #kJ/mol 67MES/BAE +# Enthalpy of formation: -1938.946 kJ/mol + -analytic 28.68085E-1 00.00000E+0 -34.96729E+2 00.00000E+0 00.00000E+0 + +-4.000H+ +3.000CO3-2 +4.000H2O +3.000Be+2 = Be3(OH)4(CO3)3-4 + log_k +1.06 #87BRU/GRE + -analytic 10.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-4.000H+ +1.000CO3-2 +4.000H2O +5.000Be+2 = Be5(OH)4(CO3)+4 + log_k +1.16 #87BRU/GREa + -analytic 11.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-6.000H+ +6.000H2O +5.000Be+2 = Be5(OH)6+4 + log_k -19.50 #87BRU + -analytic -19.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-5.000H+ +2.000CO3-2 +5.000H2O +6.000Be+2 = Be6(OH)5(CO3)2+3 + log_k +8.91 #87BRU/GREa + -analytic 89.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-8.000H+ +8.000H2O +6.000Be+2 = Be6(OH)8+4 + log_k -26.30 #87BRU + -analytic -26.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cl- +1.000Be+2 = BeCl+ + log_k +0.19 #65MOR/JON + -analytic 19.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000CO3-2 +1.000Be+2 = BeCO3 + log_k +8.57 #87BRU/GRE + -analytic 85.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000F- +1.000Be+2 = BeF+ + log_k +5.52 #69MES/BAE + delta_h -1.464 #kJ/mol 69MES/BAE +# Enthalpy of formation: -719.614 kJ/mol + -analytic 52.63518E-1 00.00000E+0 76.47005E+0 00.00000E+0 00.00000E+0 + ++2.000F- +1.000Be+2 = BeF2 + log_k +9.67 #69MES/BAE + delta_h -6.318 #kJ/mol 69MES/BAE +# Enthalpy of formation: -1059.818 kJ/mol + -analytic 85.63134E-1 00.00000E+0 33.00121E+1 00.00000E+0 00.00000E+0 + ++3.000F- +1.000Be+2 = BeF3- + log_k +12.44 #69MES/BAE + delta_h -7.531 #kJ/mol 69MES/BAE +# Enthalpy of formation: -1396.381 kJ/mol + -analytic 11.12063E+0 00.00000E+0 39.33715E+1 00.00000E+0 00.00000E+0 + ++4.000F- +1.000Be+2 = BeF4-2 + log_k +13.44 #69MES/BAE + delta_h -9.456 #kJ/mol 69MES/BAE +# Enthalpy of formation: -1733.656 kJ/mol + -analytic 11.78338E+0 00.00000E+0 49.39213E+1 00.00000E+0 00.00000E+0 + ++1.000SO4-2 +1.000Be+2 = BeSO4 + log_k +2.03 #62BEL/KOL + -analytic 20.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000F- +1.000B(OH)4- -1.000H2O = BF(OH)3- + log_k +8.94 #77NOR/JEN + delta_h -39.078 #kJ/mol 77NOR/JEN +# Enthalpy of formation: -1433.714 kJ/mol + -analytic 20.93828E-1 00.00000E+0 20.41186E+2 00.00000E+0 00.00000E+0 + ++2.000H+ +2.000F- +1.000B(OH)4- -2.000H2O = BF2(OH)2- + log_k +16.97 #77NOR/JEN + delta_h -38.702 #kJ/mol 77NOR/JEN +# Enthalpy of formation: -1482.858 kJ/mol + -analytic 10.18970E+0 00.00000E+0 20.21546E+2 00.00000E+0 00.00000E+0 + ++3.000H+ +3.000F- +1.000B(OH)4- -3.000H2O = BF3(OH)- + log_k +23.01 #77NOR/JEN + delta_h -38.326 #kJ/mol 77NOR/JEN +# Enthalpy of formation: -1532.002 kJ/mol + -analytic 16.29557E+0 00.00000E+0 20.01906E+2 00.00000E+0 00.00000E+0 + ++4.000H+ +4.000F- +1.000B(OH)4- -4.000H2O = BF4- + log_k +29.62 #77NOR/JEN + delta_h +73.680 #kJ/mol 77NOR/JEN +# Enthalpy of formation: -1469.516 kJ/mol + -analytic 42.52818E+0 00.00000E+0 -38.48574E+2 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000Acetate- = Ca(Acetate)+ + log_k +1.12 #95DER/DIG + delta_h +0.143 #kJ/mol +# Enthalpy of formation: -1028.867 kJ/mol + -analytic 11.45053E-1 00.00000E+0 -74.69410E-1 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000Adipate-2 = Ca(Adipate) + log_k +2.19 #04MAR/SMI from 40TOP/DAV + -analytic 21.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 -3.000H+ +1.000Am+3 +3.000H2O = Ca(Am(OH)3)+2 + log_k -26.30 #07RAB/ALT + -analytic -26.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000AsO4-3 = Ca(AsO4)- + log_k +5.77 #10MAR/ACC + -analytic 57.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000Cit-3 = Ca(Cit)- + log_k +4.80 #05HUM/AND + delta_h +0.000 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2062.920 kJ/mol + -analytic 48.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 -3.000H+ +1.000Cm+3 +3.000H2O = Ca(Cm(OH)3)+2 + log_k -26.30 #07RAB/ALT + -analytic -26.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000Edta-4 = Ca(Edta)-2 + log_k +12.69 #05HUM/AND + delta_h -22.200 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2270.000 kJ/mol + -analytic 88.00727E-1 00.00000E+0 11.59587E+2 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000Eu+3 -3.000H+ +3.000H2O = Ca(Eu(OH)3)+2 + log_k -26.30 #07RAB/ALT + -analytic -26.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +2.000H+ +1.000AsO4-3 = Ca(H2AsO4)+ + log_k +19.87 #10MAR/ACC + -analytic 19.87000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +2.000H+ +1.000Cit-3 = Ca(H2Cit)+ + log_k +12.67 #05HUM/AND + -analytic 12.67000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000H2(PO4)- = Ca(H2PO4)+ + log_k +1.41 #68CHU/MAR + delta_h +14.226 #kJ/mol 68CHU/MAR +# Enthalpy of formation: -1831.374 kJ/mol + -analytic 39.02288E-1 00.00000E+0 -74.30757E+1 00.00000E+0 00.00000E+0 + ++1.000Ca+2 -1.000H+ +1.000H4(SiO4) = Ca(H3SiO4)+ + log_k -8.83 #97SVE/SHO + delta_h +31.633 #kJ/mol +# Enthalpy of formation: -1972.561 kJ/mol + -analytic -32.88136E-1 00.00000E+0 -16.52307E+2 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000H+ +1.000AsO4-3 = Ca(HAsO4) + log_k +13.90 #10MAR/ACC + -analytic 13.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000H+ +1.000Cit-3 = Ca(HCit) + log_k +9.28 #05HUM/AND + -analytic 92.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000H+ +1.000CO3-2 = Ca(HCO3)+ + log_k +11.43 #96BOU1 + delta_h -23.595 #kJ/mol +# Enthalpy of formation: -1241.826 kJ/mol + -analytic 72.96333E-1 00.00000E+0 12.32453E+2 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000H+ +1.000Edta-4 = Ca(HEdta)- + log_k +16.23 #05HUM/AND + -analytic 16.23000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000HGlu- = Ca(HGlu)+ + log_k +1.73 #52SCH/LIN + -analytic 17.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000HIsa- = Ca(HIsa)+ + log_k +1.70 #05HUM/AND + -analytic 17.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000H+ +1.000Malonate-2 = Ca(HMalonate)+ + log_k +6.64 #13GRI/CAM + -analytic 66.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000H+ +1.000Nta-3 = Ca(HNta) + log_k +13.40 #95AKR/BOU + -analytic 13.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +2.000H+ +2.000Nta-3 = Ca(HNta)2-2 + log_k +23.63 #95AKR/BOU + -analytic 23.63000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 -3.000H+ +1.000Ho+3 +3.000H2O = Ca(Ho(OH)3)+2 + log_k -26.30 #07RAB/ALT + -analytic -26.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000H+ +1.000Phthalat-2 = Ca(HPhthalat)+ + log_k +6.42 #85DAN/DER + -analytic 64.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 -1.000H+ +1.000H2(PO4)- = Ca(HPO4) + log_k -4.47 #68CHU/MAR + delta_h +17.407 #kJ/mol 68CHU/MAR +# Enthalpy of formation: -1828.193 kJ/mol + -analytic -14.20425E-1 00.00000E+0 -90.92309E+1 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000H+ +1.000Pyrophos-4 = Ca(HPyrophos)- + log_k +13.80 #88CHA/NEW + -analytic 13.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000H+ +1.000Succinat-2 = Ca(HSuccinat)+ + log_k +6.79 #13GRI/CAM + -analytic 67.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000IO3- = Ca(IO3)+ + log_k +0.40 #estimation NEA87 08/2/95 + -analytic 40.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 -1.000H+ +1.000HIsa- = Ca(Isa) + log_k -10.40 #05HUM/AND + -analytic -10.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000Malonate-2 = Ca(Malonate) + log_k +2.43 #13GRI/CAM + -analytic 24.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000NH3 = Ca(NH3)+2 + log_k -0.10 #88CHA/NEW + -analytic -10.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +2.000NH3 = Ca(NH3)2+2 + log_k -0.70 #88CHA/NEW + -analytic -70.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +3.000NH3 = Ca(NH3)3+2 + log_k -1.50 #88CHA/NEW + -analytic -15.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +4.000NH3 = Ca(NH3)4+2 + log_k -2.60 #88CHA/NEW + -analytic -26.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000NpO2+ -2.000H+ +2.000H2O = Ca(NpO2(OH)2)+ + log_k -20.60 #20GRE/GAO + -analytic -20.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000Nta-3 = Ca(Nta)- + log_k +7.73 #95AKR/BOU + -analytic 77.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 -1.000H+ +1.000HGlu- +1.000H2O = Ca(OH)(HGlu) + log_k -10.40 #02TIT/WIE + -analytic -10.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 -1.000H+ +1.000H2O = Ca(OH)+ + log_k -12.78 #87GAR/PAR + delta_h +77.207 #kJ/mol +# Enthalpy of formation: -751.623 kJ/mol + -analytic 74.60858E-2 00.00000E+0 -40.32802E+2 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000Ox-2 = Ca(Ox) + log_k +3.19 #05HUM/AND + delta_h +6.811 #kJ/mol +# Enthalpy of formation: -1366.849 kJ/mol + -analytic 43.83236E-1 00.00000E+0 -35.57633E+1 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +2.000Ox-2 = Ca(Ox)2-2 + log_k +4.02 #05HUM/AND + -analytic 40.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000Phthalat-2 = Ca(Phthalat) + log_k +2.49 #85DAN/DER + -analytic 24.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 -2.000H+ +1.000H2(PO4)- = Ca(PO4)- + log_k -13.10 #68CHU/MAR + delta_h +31.170 #kJ/mol 68CHU/MAR +# Enthalpy of formation: -1814.430 kJ/mol + -analytic -76.39250E-1 00.00000E+0 -16.28122E+2 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000Pyrophos-4 = Ca(Pyrophos)-2 + log_k +7.50 #88CHA/NEW + -analytic 75.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000S2O3-2 = Ca(S2O3) + log_k +1.35 + delta_h +3.786 #kJ/mol +# Enthalpy of formation: -1191.500 kJ/mol 03-91 MINTEQL-PSI + -analytic 20.13279E-1 00.00000E+0 -19.77566E+1 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000SeO4-2 = Ca(SeO4) + log_k +2.00 #05OLI/NOL + delta_h +1.475 #kJ/mol +# Enthalpy of formation: -1145.025 kJ/mol + -analytic 22.58409E-1 00.00000E+0 -77.04462E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000Sm+3 -3.000H+ +3.000H2O = Ca(Sm(OH)3)+2 + log_k -26.30 #07RAB/ALT + -analytic -26.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000SO4-2 = Ca(SO4) + log_k +2.31 #53BEL/GEO + delta_h +4.292 #kJ/mol +# Enthalpy of formation: -1448.047 kJ/mol + -analytic 30.61926E-1 00.00000E+0 -22.41868E+1 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000Succinat-2 = Ca(Succinat) + log_k +2.34 #13GRI/CAM + -analytic 23.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Ca+2 -4.000H+ +1.000Am+3 +4.000H2O = Ca2(Am(OH)4)+3 + log_k -37.20 #07RAB/ALT + -analytic -37.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Ca+2 -4.000H+ +1.000Cm+3 +4.000H2O = Ca2(Cm(OH)4)+3 + log_k -37.20 #07RAB/ALT + -analytic -37.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Ca+2 +1.000Eu+3 -4.000H+ +4.000H2O = Ca2(Eu(OH)4)+3 + log_k -37.20 #07RAB/ALT + -analytic -37.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Ca+2 -4.000H+ +1.000Ho+3 +4.000H2O = Ca2(Ho(OH)4)+3 + log_k -37.20 #07RAB/ALT + -analytic -37.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Ca+2 +1.000Sm+3 -4.000H+ +4.000H2O = Ca2(Sm(OH)4)+3 + log_k -37.20 #07RAB/ALT + -analytic -37.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Ca+2 +1.000UO2+2 +3.000CO3-2 = Ca2UO2(CO3)3 + log_k +30.80 #20GRE/GAO + delta_h -47.000 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -4177.690 kJ/mol + -analytic 22.56595E+0 00.00000E+0 24.54981E+2 00.00000E+0 00.00000E+0 + ++3.000Ca+2 -6.000H+ +1.000Am+3 +6.000H2O = Ca3(Am(OH)6)+3 + log_k -60.70 #07RAB/ALT + -analytic -60.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000Ca+2 -6.000H+ +1.000Cm+3 +6.000H2O = Ca3(Cm(OH)6)+3 + log_k -60.70 #07RAB/ALT + -analytic -60.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000Ca+2 +1.000Eu+3 -6.000H+ +6.000H2O = Ca3(Eu(OH)6)+3 + log_k -60.70 #07RAB/ALT + -analytic -60.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000Ca+2 -6.000H+ +1.000Ho+3 +6.000H2O = Ca3(Ho(OH)6)+3 + log_k -60.70 #07RAB/ALT + -analytic -60.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000Ca+2 +1.000NpO2+ -5.000H+ +5.000H2O = Ca3(NpO2(OH)5)+2 + log_k -54.80 #20GRE/GAO + -analytic -54.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000Ca+2 +1.000Sm+3 -6.000H+ +6.000H2O = Ca3(Sm(OH)6)+3 + log_k -60.70 #07RAB/ALT + -analytic -60.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++4.000Ca+2 +1.000Pu+4 -8.000H+ +8.000H2O = Ca4Pu(OH)8+4 + log_k -56.97 #20GRE/GAO + -analytic -56.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++4.000Ca+2 +1.000Th+4 -8.000H+ +8.000H2O = Ca4Th(OH)8+4 + log_k -63.10 #08ALT/NEC + -analytic -63.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000B(OH)4- = CaB(OH)4+ + log_k +1.80 #97CRO + -analytic 18.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000CO3-2 = CaCO3 + log_k +3.22 #96BOU1 + delta_h +14.830 #kJ/mol +# Enthalpy of formation: -1203.400 kJ/mol 96BOU1 + -analytic 58.18104E-1 00.00000E+0 -77.46248E+1 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000CrO4-2 = CaCrO4 + log_k +2.77 #00PER/PAL + -analytic 27.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000F- = CaF+ + log_k +0.94 #96BOU + delta_h +17.238 #kJ/mol 96BOU +# Enthalpy of formation: -861.112 kJ/mol + -analytic 39.59968E-1 00.00000E+0 -90.04034E+1 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000I- = CaI+ + log_k +0.14 #92JOH/OEL + -analytic 14.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +2.000I- = CaI2 + log_k -0.02 #92JOH/OEL + -analytic -20.00000E-3 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000Pu+4 -4.000H+ +1.000HIsa- +4.000H2O = CaPu(OH)4(HIsa)+ + log_k -1.66 #18TAS/GAO1 + -analytic -16.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000Pu+4 -5.000H+ +1.000HIsa- +5.000H2O = CaPu(OH)5(HIsa) + log_k -12.70 #18TAS/GAO1 + -analytic -12.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ca+2 +1.000UO2+2 +3.000CO3-2 = CaUO2(CO3)3-2 + log_k +27.00 #20GRE/GAO + delta_h -47.000 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -3634.690 kJ/mol + -analytic 18.76595E+0 00.00000E+0 24.54981E+2 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +1.000CO3-2 = Cd(CO3) + log_k +4.70 #91RAI/FEL1 + delta_h +4.299 #kJ/mol +# Enthalpy of formation: -746.851 kJ/mol + -analytic 54.53152E-1 00.00000E+0 -22.45524E+1 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +2.000CO3-2 = Cd(CO3)2-2 + log_k +6.50 #91RAI/FEL1 + -analytic 65.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +1.000H2(PO4)- = Cd(H2PO4)+ + log_k +1.80 #01AYA/MAD + -analytic 18.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +1.000H+ +1.000CO3-2 = Cd(HCO3)+ + log_k +11.83 #93STI/PAR + -analytic 11.83000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +2.000HS- = Cd(HS)2 + log_k +14.43 #99WAN/TES + -analytic 14.43000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +1.000NH3 = Cd(NH3)+2 + log_k +2.52 + -analytic 25.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +2.000NH3 = Cd(NH3)2+2 + log_k +4.87 + delta_h -27.965 #kJ/mol +# Enthalpy of formation: -266.225 kJ/mol + -analytic -29.25770E-3 00.00000E+0 14.60714E+2 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +3.000NH3 = Cd(NH3)3+2 + log_k +5.93 #ANDRA report (C RP 0ENQ 02-001, Interpolated + -analytic 59.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +4.000NH3 = Cd(NH3)4+2 + log_k +7.30 + delta_h -49.714 #kJ/mol +# Enthalpy of formation: -450.314 kJ/mol + -analytic -14.09519E-1 00.00000E+0 25.96743E+2 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +1.000NO3- = Cd(NO3)+ + log_k +0.46 #74FED/ROB in 82HÖG + delta_h -21.757 #kJ/mol 74NAU/RYZ in 91BAL/NOR +# Enthalpy of formation: -304.527 kJ/mol + -analytic -33.51663E-1 00.00000E+0 11.36447E+2 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +2.000NO3- = Cd(NO3)2 + log_k +0.17 #97CRO + -analytic 17.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cd+2 -1.000H+ +1.000H2O = Cd(OH)+ + log_k -10.08 #81BAE/MES + delta_h +54.810 #kJ/mol 81BAE/MES +# Enthalpy of formation: -306.940 kJ/mol + -analytic -47.77002E-2 00.00000E+0 -28.62926E+2 00.00000E+0 00.00000E+0 + ++1.000Cd+2 -2.000H+ +2.000H2O = Cd(OH)2 + log_k -20.90 #91RAI/FEL1 + delta_h +114.900 #kJ/mol +# Enthalpy of formation: -532.680 kJ/mol + -analytic -77.03841E-2 00.00000E+0 -60.01645E+2 00.00000E+0 00.00000E+0 + ++1.000Cd+2 -3.000H+ +3.000H2O = Cd(OH)3- + log_k -33.30 #81BAE/MES + delta_h +156.416 #kJ/mol +# Enthalpy of formation: -776.994 kJ/mol + -analytic -58.97093E-1 00.00000E+0 -81.70177E+2 00.00000E+0 00.00000E+0 + ++1.000Cd+2 -4.000H+ +4.000H2O = Cd(OH)4-2 + log_k -47.48 #91RAI/FEL1 + delta_h +229.570 #kJ/mol +# Enthalpy of formation: -989.669 kJ/mol + -analytic -72.61062E-1 00.00000E+0 -11.99128E+3 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +1.000Pyrophos-4 = Cd(Pyrophos)-2 + log_k +8.70 #92CLE/DER + -analytic 87.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +1.000S2O3-2 = Cd(S2O3) + log_k +2.46 + delta_h +5.405 #kJ/mol +# Enthalpy of formation: -722.801 kJ/mol 74NAU/RYZ + -analytic 34.06915E-1 00.00000E+0 -28.23228E+1 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +1.000SeO4-2 = Cd(SeO4) + log_k +2.27 #05OLI/NOL + delta_h +8.300 #kJ/mol 05OLI/NOL +# Enthalpy of formation: -671.120 kJ/mol + -analytic 37.24098E-1 00.00000E+0 -43.35392E+1 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +1.000SO4-2 = Cd(SO4) + log_k +2.37 #97MAR/SMI + delta_h +8.700 #kJ/mol 97MAR/SMI +# Enthalpy of formation: -976.560 kJ/mol + -analytic 38.94175E-1 00.00000E+0 -45.44326E+1 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +2.000SO4-2 = Cd(SO4)2-2 + log_k +3.44 #76SMI/MAR + -analytic 34.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++4.000Cd+2 -4.000H+ +4.000H2O = Cd4(OH)4+4 + log_k -32.07 + delta_h +172.135 #kJ/mol +# Enthalpy of formation: -1274.865 kJ/mol 99YUN/GLU + -analytic -19.13243E-1 00.00000E+0 -89.91237E+2 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +1.000Br- = CdBr+ + log_k +2.16 + delta_h -7.959 #kJ/mol +# Enthalpy of formation: -205.289 kJ/mol + -analytic 76.56431E-2 00.00000E+0 41.57275E+1 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +2.000Br- = CdBr2 + log_k +2.92 + delta_h -15.743 #kJ/mol +# Enthalpy of formation: -334.482 kJ/mol + -analytic 16.19448E-2 00.00000E+0 82.23142E+1 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +3.000Br- = CdBr3- + log_k +3.19 + delta_h -28.846 #kJ/mol +# Enthalpy of formation: -468.995 kJ/mol + -analytic -18.63602E-1 00.00000E+0 15.06732E+2 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +1.000Cl- = CdCl+ + log_k +1.97 #76BAE/MES + delta_h -5.520 #kJ/mol +# Enthalpy of formation: -248.520 kJ/mol + -analytic 10.02938E-1 00.00000E+0 28.83297E+1 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +2.000Cl- = CdCl2 + log_k +2.59 #76BAE/MES + delta_h -14.068 #kJ/mol +# Enthalpy of formation: -424.148 kJ/mol + -analytic 12.53922E-2 00.00000E+0 73.48228E+1 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +3.000Cl- = CdCl3- + log_k +2.40 #76BAE/MES + delta_h -25.804 #kJ/mol +# Enthalpy of formation: -602.963 kJ/mol + -analytic -21.20667E-1 00.00000E+0 13.47837E+2 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +4.000Cl- = CdCl4-2 + log_k +1.47 #76BAE/MES + delta_h -44.765 #kJ/mol +# Enthalpy of formation: -789.004 kJ/mol + -analytic -63.72491E-1 00.00000E+0 23.38239E+2 00.00000E+0 00.00000E+0 + ++1.000Cd+2 -1.000H+ +1.000H2(PO4)- = CdHPO4 + log_k -2.38 #01AYA/MAD + -analytic -23.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +1.000HS- = CdHS+ + log_k +7.38 #99WAN/TES + -analytic 73.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +1.000I- = CdI+ + log_k +2.09 + delta_h -8.739 #kJ/mol +# Enthalpy of formation: -141.439 kJ/mol + -analytic 55.89929E-2 00.00000E+0 45.64698E+1 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +2.000I- = CdI2 + log_k +3.53 + delta_h -18.988 #kJ/mol +# Enthalpy of formation: -208.468 kJ/mol + -analytic 20.34452E-2 00.00000E+0 99.18123E+1 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +3.000I- = CdI3- + log_k +4.64 + delta_h -38.648 #kJ/mol +# Enthalpy of formation: -284.907 kJ/mol + -analytic -21.30839E-1 00.00000E+0 20.18726E+2 00.00000E+0 00.00000E+0 + ++1.000Cd+2 +4.000I- = CdI4-2 + log_k +5.48 + delta_h -75.610 #kJ/mol +# Enthalpy of formation: -378.649 kJ/mol + -analytic -77.66303E-1 00.00000E+0 39.49385E+2 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000CH4 = CH3- + log_k -46.00 #18BLA/BUR + -analytic -46.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000CH4 +1.000Hg+2 = CH3Hg+ + log_k +3.00 #18BLA/BUR + -analytic 30.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Cl- +1.000CH4 +1.000Hg+2 = CH3HgCl + log_k +8.45 #18BLA/BUR + -analytic 84.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000CO3-2 +1.000CH4 +1.000Hg+2 = CH3HgCO3- + log_k +9.10 #18BLA/BUR + -analytic 91.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000CO3-2 +1.000CH4 +1.000Hg+2 = CH3HgHCO3 + log_k +15.93 #18BLA/BUR + -analytic 15.93000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000CH4 +1.000H2O +1.000Hg+2 = CH3HgOH + log_k -1.53 #18BLA/BUR + -analytic -15.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000HS- +1.000CH4 +1.000Hg+2 = CH3HgS- + log_k +7.00 #18BLA/BUR + -analytic 70.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000HS- +1.000CH4 +1.000Hg+2 = CH3HgSH + log_k +17.50 #18BLA/BUR + -analytic 17.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000SO4-2 +1.000CH4 +1.000Hg+2 = CH3HgSO4- + log_k +5.64 #18BLA/BUR + -analytic 56.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000e- +2.000Cl- = Cl2 + log_k -47.21 + delta_h +310.760 #kJ/mol +# Enthalpy of formation: -23.400 kJ/mol 82WAG/EVA + -analytic 72.32815E-1 00.00000E+0 -16.23213E+3 00.00000E+0 00.00000E+0 + +-8.000H+ -8.000e- +1.000Cl- +4.000H2O = ClO4- + log_k -187.79 + delta_h +1182.300 #kJ/mol +# Enthalpy of formation: -128.100 kJ/mol 89COX/WAG + -analytic 19.34007E+0 00.00000E+0 -61.75583E+3 00.00000E+0 00.00000E+0 + ++1.000Cm+3 +1.000Acetate- = Cm(Acetate)+2 + log_k +3.01 #11RIC/GRI + -analytic 30.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cm+3 +2.000Acetate- = Cm(Acetate)2+ + log_k +4.96 #12GRI/GAR2 + -analytic 49.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cm+3 +3.000Acetate- = Cm(Acetate)3 + log_k +6.30 #69MOS + -analytic 63.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cit-3 +1.000Cm+3 = Cm(Cit) + log_k +8.55 #Analogy with Am + -analytic 85.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Cit-3 +1.000Cm+3 = Cm(Cit)2-3 + log_k +13.90 #Analogy with Am + -analytic 13.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000CO3-2 +1.000Cm+3 = Cm(CO3)+ + log_k +7.90 #06DUR/CER + delta_h +16.981 #kJ/mol +# Enthalpy of formation: -1273.250 kJ/mol + -analytic 10.87494E+0 00.00000E+0 -88.69794E+1 00.00000E+0 00.00000E+0 + ++2.000CO3-2 +1.000Cm+3 = Cm(CO3)2- + log_k +12.60 #06DUR/CER + -analytic 12.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000CO3-2 +1.000Cm+3 = Cm(CO3)3-3 + log_k +14.60 #06DUR/CER + -analytic 14.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Edta-4 +1.000Cm+3 = Cm(Edta)- + log_k +19.67 #Analogy with Am(Edta)- + -analytic 19.67000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H2(PO4)- +1.000Cm+3 = Cm(H2PO4)+2 + log_k +2.46 #20GRE/GAO + -analytic 24.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Cit-3 +1.000Cm+3 = Cm(HCit)+ + log_k +12.86 #Analogy with Am + -analytic 12.86000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +2.000Cit-3 +1.000Cm+3 = Cm(HCit)2- + log_k +23.52 #Analogy with Am + -analytic 23.52000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Edta-4 +1.000Cm+3 = Cm(HEdta) + log_k +21.84 #Analogy with Am(HEdta) + -analytic 21.84000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000H2(PO4)- +1.000Cm+3 = Cm(HPO4)+ + log_k -1.69 #Estimated by correlation with An(III) in function of ionic radii + -analytic -16.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +2.000H2(PO4)- +1.000Cm+3 = Cm(HPO4)2- + log_k -5.19 #Estimated by correlation with An(III) in function of ionic radii + -analytic -51.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NO3- +1.000Cm+3 = Cm(NO3)+2 + log_k +1.28 #20GRE/GAO + delta_h +1.800 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -820.050 kJ/mol + -analytic 15.95346E-1 00.00000E+0 -94.02055E+0 00.00000E+0 00.00000E+0 + ++2.000NO3- +1.000Cm+3 = Cm(NO3)2+ + log_k +0.88 #20GRE/GAO + delta_h +10.800 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1017.900 kJ/mol + -analytic 27.72079E-1 00.00000E+0 -56.41233E+1 00.00000E+0 00.00000E+0 + ++1.000Nta-3 +1.000Cm+3 = Cm(Nta) + log_k +13.00 #Analogy with Am(Nta)(aq) + -analytic 13.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Cm+3 +1.000H2O = Cm(OH)+2 + log_k -7.20 #03GUI/FAN + delta_h +38.510 #kJ/mol +# Enthalpy of formation: -862.320 kJ/mol + -analytic -45.33376E-2 00.00000E+0 -20.11517E+2 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000HGlu- +1.000Cm+3 +2.000H2O = Cm(OH)2(HGlu) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000HIsa- +1.000Cm+3 +2.000H2O = Cm(OH)2(HIsa) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000Cm+3 +2.000H2O = Cm(OH)2+ + log_k -15.10 #03GUI/FAN + delta_h +91.646 #kJ/mol +# Enthalpy of formation: -1095.013 kJ/mol + -analytic 95.56900E-2 00.00000E+0 -47.87004E+2 00.00000E+0 00.00000E+0 + +-3.000H+ +1.000Cm+3 +3.000H2O = Cm(OH)3 + log_k -26.20 #03GUI/FAN + delta_h +153.826 #kJ/mol +# Enthalpy of formation: -1318.663 kJ/mol + -analytic 74.91584E-2 00.00000E+0 -80.34892E+2 00.00000E+0 00.00000E+0 + ++1.000Ox-2 +1.000Cm+3 = Cm(Ox)+ + log_k +6.48 #95AKR/BOU + -analytic 64.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Ox-2 +1.000Cm+3 = Cm(Ox)2- + log_k +10.40 #95AKR/BOU + -analytic 10.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000Ox-2 +1.000Cm+3 = Cm(Ox)3-3 + log_k +12.84 #95AKR/BOU + -analytic 12.84000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cm+3 +1.000Phthalat-2 = Cm(Phthalat)+ + log_k +4.93 #11GRI/COL2 from 95PAN/KLE + -analytic 49.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000H2(PO4)- +1.000Cm+3 = Cm(PO4) + log_k -7.65 #Estimated by correlation with An(III) in function of ionic radii. + -analytic -76.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-4.000H+ +2.000H2(PO4)- +1.000Cm+3 = Cm(PO4)2-3 + log_k -19.20 #Estimated by correlation with An(III) in function of ionic radii + -analytic -19.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000SO4-2 +1.000Cm+3 = Cm(SO4)+ + log_k +3.50 #20GRE/GAO + delta_h +40.000 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1484.340 kJ/mol + -analytic 10.50770E+0 00.00000E+0 -20.89346E+2 00.00000E+0 00.00000E+0 + ++2.000SO4-2 +1.000Cm+3 = Cm(SO4)2- + log_k +5.00 #20GRE/GAO + delta_h +70.000 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2363.680 kJ/mol + -analytic 17.26347E+0 00.00000E+0 -36.56355E+2 00.00000E+0 00.00000E+0 + ++1.000Cl- +1.000Cm+3 = CmCl+2 + log_k +0.24 #20GRE/GAO + delta_h +44.483 #kJ/mol +# Enthalpy of formation: -737.597 kJ/mol + -analytic 80.33087E-1 00.00000E+0 -23.23509E+2 00.00000E+0 00.00000E+0 + ++2.000Cl- +1.000Cm+3 = CmCl2+ + log_k -0.81 #20GRE/GAO + delta_h +54.900 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -894.260 kJ/mol + -analytic 88.08067E-1 00.00000E+0 -28.67627E+2 00.00000E+0 00.00000E+0 + ++1.000F- +1.000Cm+3 = CmF+2 + log_k +3.40 #20GRE/GAO + delta_h +12.100 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -938.250 kJ/mol + -analytic 55.19829E-1 00.00000E+0 -63.20270E+1 00.00000E+0 00.00000E+0 + ++2.000F- +1.000Cm+3 = CmF2+ + log_k +5.80 #20GRE/GAO + delta_h +45.100 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1240.600 kJ/mol + -analytic 13.70118E+0 00.00000E+0 -23.55737E+2 00.00000E+0 00.00000E+0 + ++3.000F- +1.000Cm+3 = CmF3 + log_k +11.18 #69AZI/LYL + delta_h +15.371 #kJ/mol +# Enthalpy of formation: -1605.678 kJ/mol + -analytic 13.87288E+0 00.00000E+0 -80.28832E+1 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000CO3-2 +1.000Cm+3 = CmHCO3+2 + log_k +13.43 #03GUI/FAN, same as Am + -analytic 13.43000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000H4(SiO4) +1.000Cm+3 = CmSiO(OH)3+2 + log_k -2.31 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN + delta_h +47.963 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2028.231 kJ/mol + -analytic 60.92757E-1 00.00000E+0 -25.05282E+2 00.00000E+0 00.00000E+0 + ++4.000H+ +2.000e- +1.000CO3-2 -2.000H2O = CO + log_k +11.60 + delta_h -17.390 #kJ/mol +# Enthalpy of formation: -120.960 kJ/mol 82WAG/EVA + -analytic 85.53403E-1 00.00000E+0 90.83430E+1 00.00000E+0 00.00000E+0 + ++1.000Co+2 +2.000HS- = Co(HS)2 + log_k +8.77 #66KHO; Uncertainty to include available data. + -analytic 87.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Co+2 -1.000H+ +1.000H2O = Co(OH)+ + log_k -9.23 #98PLY/ZHA1 + delta_h +45.962 #kJ/mol +# Enthalpy of formation: -297.468 kJ/mol + -analytic -11.77803E-1 00.00000E+0 -24.00762E+2 00.00000E+0 00.00000E+0 + ++1.000Co+2 -2.000H+ +2.000H2O = Co(OH)2 + log_k -18.60 #98PLY/ZHA1 + delta_h +105.707 #kJ/mol +# Enthalpy of formation: -523.552 kJ/mol + -analytic -80.92855E-3 00.00000E+0 -55.21461E+2 00.00000E+0 00.00000E+0 + ++1.000Co+2 -3.000H+ +3.000H2O = Co(OH)3- + log_k -31.70 #98PLY/ZHA1 + delta_h +160.297 #kJ/mol +# Enthalpy of formation: -754.792 kJ/mol + -analytic -36.17171E-1 00.00000E+0 -83.72895E+2 00.00000E+0 00.00000E+0 + ++1.000Co+2 -4.000H+ +4.000H2O = Co(OH)4-2 + log_k -46.42 #98PLY/ZHA1 + delta_h +214.483 #kJ/mol +# Enthalpy of formation: -986.435 kJ/mol + -analytic -88.44191E-1 00.00000E+0 -11.20323E+3 00.00000E+0 00.00000E+0 + ++1.000Co+2 +1.000SeO4-2 = Co(SeO4) + log_k +2.70 #05OLI/NOL + delta_h -3.617 #kJ/mol +# Enthalpy of formation: -664.716 kJ/mol + -analytic 20.66329E-1 00.00000E+0 18.89291E+1 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000CO3-2 -1.000H2O = CO2 + log_k +16.68 + delta_h -23.860 #kJ/mol +# Enthalpy of formation: -413.260 kJ/mol 89COX/WAG + -analytic 12.49991E+0 00.00000E+0 12.46295E+2 00.00000E+0 00.00000E+0 + ++2.000Co+2 -1.000H+ +1.000H2O = Co2(OH)+3 + log_k -9.83 #98PLY/ZHA1 + delta_h +30.030 #kJ/mol +# Enthalpy of formation: -371.000 kJ/mol 98PLY/ZHA1 + -analytic -45.68970E-1 00.00000E+0 -15.68576E+2 00.00000E+0 00.00000E+0 + ++4.000Co+2 -4.000H+ +4.000H2O = Co4(OH)4+4 + log_k -29.88 #98PLY/ZHA1 + delta_h +149.720 #kJ/mol +# Enthalpy of formation: -1224.000 kJ/mol 98PLY/ZHA1 + -analytic -36.50182E-1 00.00000E+0 -78.20420E+2 00.00000E+0 00.00000E+0 + ++1.000Co+2 +1.000Cl- = CoCl+ + log_k +0.57 #81TUR/WHI; Uncertainty to include available data. + delta_h -2.180 #kJ/mol +# Enthalpy of formation: -226.859 kJ/mol + -analytic 18.80804E-2 00.00000E+0 11.38693E+1 00.00000E+0 00.00000E+0 + ++1.000Co+2 +2.000Cl- = CoCl2 + log_k +0.02 #06BLA/IGN; Uncertainty from 89PAN/SUS + delta_h +4.074 #kJ/mol 06BLA/IGN +# Enthalpy of formation: -387.686 kJ/mol + -analytic 73.37342E-2 00.00000E+0 -21.27998E+1 00.00000E+0 00.00000E+0 + ++1.000Co+2 +3.000Cl- = CoCl3- + log_k -1.71 #06BLA/IGN; Uncertainty 89PAN/SUS + delta_h +6.688 #kJ/mol 06BLA/IGN +# Enthalpy of formation: -552.152 kJ/mol + -analytic -53.83127E-2 00.00000E+0 -34.93386E+1 00.00000E+0 00.00000E+0 + ++1.000Co+2 +4.000Cl- = CoCl4-2 + log_k -2.09 #06BLA/IGN + delta_h +22.570 #kJ/mol 06BLA/IGN +# Enthalpy of formation: -703.350 kJ/mol + -analytic 18.64094E-1 00.00000E+0 -11.78913E+2 00.00000E+0 00.00000E+0 + ++1.000Co+2 +1.000CO3-2 = CoCO3 + log_k +4.23 #97MAR/SMI; Uncertainty to include available data. + -analytic 42.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Co+2 +1.000F- = CoF+ + log_k +1.50 #97MAR/SMI + delta_h -0.631 #kJ/mol +# Enthalpy of formation: -393.580 kJ/mol + -analytic 13.89454E-1 00.00000E+0 32.95943E+0 00.00000E+0 00.00000E+0 + ++1.000Co+2 +1.000H+ +1.000CO3-2 = CoHCO3+ + log_k +12.22 #97MAR/SMI; Uncertainty to include available data. + -analytic 12.22000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Co+2 -1.000H+ +1.000H2(PO4)- = CoHPO4 + log_k -4.15 #97MAR/SMI; Uncertainty to include available data and is preliminary. + -analytic -41.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Co+2 +1.000HS- = CoHS+ + log_k +5.67 #66KHO; Uncertainty to include available data. + -analytic 56.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Co+2 +1.000S2O3-2 = CoS2O3 + log_k +2.05 #51DEN/MON + -analytic 20.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Co+2 +1.000SO4-2 = CoSO4 + log_k +2.30 #97MAR/SMI; Uncertainty to include available data. + delta_h +2.092 #kJ/mol 74NAU/RYZ +# Enthalpy of formation: -964.848 kJ/mol + -analytic 26.66503E-1 00.00000E+0 -10.92728E+1 00.00000E+0 00.00000E+0 + ++1.000H2(PO4)- +1.000Cr+3 = Cr(H2PO4)+2 + log_k +2.56 #66LAH/ADI + -analytic 25.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000H2(PO4)- +1.000Cr+3 = Cr(HPO4)+ + log_k +2.25 #76ALE/MAS + -analytic 22.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +2.000CO3-2 +1.000Cr+3 +1.000H2O = Cr(OH)(CO3)2-2 + log_k +9.73 #07RAI/MOO + -analytic 97.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Cr+2 +1.000H2O = Cr(OH)+ + log_k -5.30 #83MIC/DEB, 04CHI + delta_h +30.327 #kJ/mol +# Enthalpy of formation: -413.117 kJ/mol + -analytic 13.06233E-3 00.00000E+0 -15.84090E+2 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Cr+3 +1.000H2O = Cr(OH)+2 + log_k -3.42 #04RAI/MOO + delta_h +37.222 #kJ/mol +# Enthalpy of formation: -489.108 kJ/mol + -analytic 31.01014E-1 00.00000E+0 -19.44240E+2 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000Cr+3 +2.000H2O = Cr(OH)2+ + log_k -8.90 #11GRI/COL4 + delta_h +93.198 #kJ/mol +# Enthalpy of formation: -718.961 kJ/mol + -analytic 74.27589E-1 00.00000E+0 -48.68071E+2 00.00000E+0 00.00000E+0 + +-3.000H+ +1.000Cr+3 +3.000H2O = Cr(OH)3 + log_k -14.34 #04RAI/MOO + delta_h +143.704 #kJ/mol +# Enthalpy of formation: -954.285 kJ/mol + -analytic 10.83586E+0 00.00000E+0 -75.06183E+2 00.00000E+0 00.00000E+0 + +-3.000H+ +1.000H2(PO4)- +1.000Cr+3 +3.000H2O = Cr(OH)3(H2PO4)- + log_k -11.56 #04RAI/MOO + -analytic -11.56000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-3.000H+ +2.000H2(PO4)- +1.000Cr+3 +3.000H2O = Cr(OH)3(H2PO4)2-2 + log_k -10.86 #04RAI/MOO + -analytic -10.86000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-4.000H+ +1.000H2(PO4)- +1.000Cr+3 +3.000H2O = Cr(OH)3(HPO4)-2 + log_k -19.58 #04RAI/MOO + -analytic -19.58000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-5.000H+ +1.000H2(PO4)- +1.000Cr+3 +3.000H2O = Cr(OH)3(PO4)-3 + log_k -30.24 #98ZIE/JON + -analytic -30.24000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-4.000H+ +1.000Cr+3 +4.000H2O = Cr(OH)4- + log_k -25.86 #04RAI/MOO + delta_h +193.614 #kJ/mol +# Enthalpy of formation: -1190.205 kJ/mol + -analytic 80.59717E-1 00.00000E+0 -10.11316E+3 00.00000E+0 00.00000E+0 + +-4.000H+ +1.000CO3-2 +1.000Cr+3 +4.000H2O = Cr(OH)4(CO3)-3 + log_k -25.69 #07RAI/MOO + -analytic -25.69000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-5.000H+ +2.000H2(PO4)- +1.000Cr+3 +4.000H2O = Cr(OH)4(HPO4)(H2PO4)-4 + log_k -28.76 #98ZIE/JON + delta_h +14.000 #kJ/mol 98ZIE/JON +# Enthalpy of formation: -3975.020 kJ/mol + -analytic -26.30731E+0 00.00000E+0 -73.12709E+1 00.00000E+0 00.00000E+0 + +-1.000H+ +2.000Cl- +1.000Cr+3 +1.000H2O = Cr(OH)Cl2 + log_k -5.73 + delta_h +32.720 #kJ/mol +# Enthalpy of formation: -827.770 kJ/mol 76DEL/HEP + -analytic 22.97936E-4 00.00000E+0 -17.09085E+2 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000CO3-2 +1.000Cr+3 +1.000H2O = Cr(OH)CO3 + log_k +4.00 #07RAI/MOO + -analytic 40.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +2.000Cr+3 +2.000H2O = Cr2(OH)2+4 + log_k -4.00 #11GRI/COL4 + -analytic -40.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +2.000CrO4-2 -1.000H2O = Cr2O7-2 + log_k +14.75 #87PAL/WES, 04CHI + delta_h -3.752 #kJ/mol +# Enthalpy of formation: -1475.923 kJ/mol + -analytic 14.09268E+0 00.00000E+0 19.59806E+1 00.00000E+0 00.00000E+0 + +-4.000H+ +3.000Cr+3 +4.000H2O = Cr3(OH)4+5 + log_k -7.60 #11GRI/COL4 + -analytic -76.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Br- +1.000Cr+3 = CrBr+2 + log_k -0.62 + delta_h +22.588 #kJ/mol +# Enthalpy of formation: -339.322 kJ/mol 76DEL/HEP + -analytic 33.37248E-1 00.00000E+0 -11.79853E+2 00.00000E+0 00.00000E+0 + ++1.000Cl- +1.000Cr+2 = CrCl+ + log_k +5.60 #91ALL/BRO + delta_h -20.200 #kJ/mol 91ALL/BRO +# Enthalpy of formation: -344.894 kJ/mol + -analytic 20.61112E-1 00.00000E+0 10.55119E+2 00.00000E+0 00.00000E+0 + ++1.000Cl- +1.000Cr+3 = CrCl+2 + log_k +0.62 #64SIL/MAR + delta_h +20.920 #kJ/mol 64SIL/MAR +# Enthalpy of formation: -386.660 kJ/mol + -analytic 42.85027E-1 00.00000E+0 -10.92728E+2 00.00000E+0 00.00000E+0 + ++2.000Cl- +1.000Cr+3 = CrCl2+ + log_k -0.71 #64SIL/MAR + delta_h +20.920 #kJ/mol 64SIL/MAR +# Enthalpy of formation: -553.740 kJ/mol + -analytic 29.55027E-1 00.00000E+0 -10.92728E+2 00.00000E+0 00.00000E+0 + ++1.000F- +1.000Cr+3 = CrF+2 + log_k +5.21 #81TUR/WHI + delta_h -2.510 #kJ/mol 53HEP/JOL +# Enthalpy of formation: -578.360 kJ/mol + -analytic 47.70267E-1 00.00000E+0 13.11064E+1 00.00000E+0 00.00000E+0 + ++2.000F- +1.000Cr+3 = CrF2+ + log_k +9.31 #81TUR/WHI + delta_h -0.418 #kJ/mol 53HEP/JOL +# Enthalpy of formation: -911.618 kJ/mol + -analytic 92.36770E-1 00.00000E+0 21.83366E+0 00.00000E+0 00.00000E+0 + ++3.000F- +1.000Cr+3 = CrF3 + log_k +11.91 #81TUR/WHI + -analytic 11.91000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000Cl- +1.000CrO4-2 -1.000H2O = CrO3Cl- + log_k +8.08 + delta_h +5.450 #kJ/mol +# Enthalpy of formation: -754.800 kJ/mol 76DEL/HEP + -analytic 90.34799E-1 00.00000E+0 -28.46733E+1 00.00000E+0 00.00000E+0 + ++1.000SO4-2 +1.000Cr+3 = CrSO4+ + log_k +4.61 #81TUR/WHI + -analytic 46.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cs+ +1.000Cit-3 = Cs(Cit)-2 + log_k +0.98 #95AKR/BOU + -analytic 98.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cs+ +1.000Edta-4 = Cs(Edta)-3 + log_k +1.30 #95AKR/BOU + -analytic 13.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cs+ +1.000Nta-3 = Cs(Nta)-2 + log_k +0.85 #95AKR/BOU + -analytic 85.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cs+ -1.000H+ +1.000H2O = Cs(OH) + log_k -15.64 + delta_h +65.736 #kJ/mol +# Enthalpy of formation: -478.094 kJ/mol 97SHO/SAS2 + -analytic -41.23547E-1 00.00000E+0 -34.33630E+2 00.00000E+0 00.00000E+0 + ++1.000Cs+ +1.000Br- = CsBr + log_k +0.10 + delta_h +5.912 #kJ/mol +# Enthalpy of formation: -373.497 kJ/mol + -analytic 11.35738E-1 00.00000E+0 -30.88053E+1 00.00000E+0 00.00000E+0 + ++1.000Cs+ +1.000Cl- = CsCl + log_k -0.09 + delta_h +7.514 #kJ/mol +# Enthalpy of formation: -417.566 kJ/mol + -analytic 12.26396E-1 00.00000E+0 -39.24836E+1 00.00000E+0 00.00000E+0 + ++1.000Cs+ +1.000F- = CsF + log_k -0.38 + delta_h +2.436 #kJ/mol +# Enthalpy of formation: -590.913 kJ/mol + -analytic 46.76888E-3 00.00000E+0 -12.72411E+1 00.00000E+0 00.00000E+0 + ++1.000Cs+ +1.000I- = CsI + log_k +1.05 + delta_h -0.071 #kJ/mol +# Enthalpy of formation: -314.850 kJ/mol + -analytic 10.37561E-1 00.00000E+0 37.08588E-1 00.00000E+0 00.00000E+0 + ++1.000Cu+2 +1.000B(OH)4- = Cu(B(OH)4)+ + log_k +7.13 #80BAS + -analytic 71.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cu+2 +2.000B(OH)4- = Cu(B(OH)4)2 + log_k +12.45 #80BAS + -analytic 12.45000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cu+2 +3.000B(OH)4- = Cu(B(OH)4)3- + log_k +15.17 #80BAS + -analytic 15.17000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cu+2 +2.000CO3-2 = Cu(CO3)2-2 + log_k +10.30 #07POW/BRO + delta_h +36.616 #kJ/mol +# Enthalpy of formation: -1248.945 kJ/mol + -analytic 16.71485E+0 00.00000E+0 -19.12587E+2 00.00000E+0 00.00000E+0 + ++1.000Cu+ +2.000HS- = Cu(HS)2- + log_k +17.18 #99MON/SEW + delta_h -78.863 #kJ/mol +# Enthalpy of formation: -40.875 kJ/mol + -analytic 33.63795E-1 00.00000E+0 41.19301E+2 00.00000E+0 00.00000E+0 + ++1.000Cu+2 -1.000H+ +1.000H2O = Cu(OH)+ + log_k -7.97 #97PLY/WAN + delta_h +36.000 #kJ/mol 76ARE/CAL in 97PLY/WAN +# Enthalpy of formation: -184.930 kJ/mol + -analytic -16.63071E-1 00.00000E+0 -18.80411E+2 00.00000E+0 00.00000E+0 + ++1.000Cu+2 -2.000H+ +2.000H2O = Cu(OH)2 + log_k -16.23 #97PLY/WAN + delta_h +92.820 #kJ/mol 76ARE/CAL in 97PLY/WAN +# Enthalpy of formation: -413.940 kJ/mol + -analytic 31.36597E-3 00.00000E+0 -48.48326E+2 00.00000E+0 00.00000E+0 + ++1.000Cu+ -2.000H+ +2.000H2O = Cu(OH)2- + log_k -18.20 #11PAL + delta_h +57.672 #kJ/mol +# Enthalpy of formation: -443.399 kJ/mol + -analytic -80.96299E-1 00.00000E+0 -30.12418E+2 00.00000E+0 00.00000E+0 + ++1.000Cu+2 -3.000H+ +3.000H2O = Cu(OH)3- + log_k -26.63 #36DOW/JOH in 97PLY/WAN + delta_h +114.482 #kJ/mol +# Enthalpy of formation: -678.107 kJ/mol + -analytic -65.73615E-1 00.00000E+0 -59.79811E+2 00.00000E+0 00.00000E+0 + ++1.000Cu+2 -4.000H+ +4.000H2O = Cu(OH)4-2 + log_k -39.73 #36DOW/JOH, 67AKH in 97PLY/WAN + -analytic -39.73000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cu+2 +1.000SeO4-2 = Cu(SeO4) + log_k +2.20 #Upper value suggested in 05OLI/NOL + -analytic 22.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Cu+2 -1.000H+ +1.000H2O = Cu2(OH)+3 + log_k -6.71 #97PLY/WAN + delta_h +46.100 #kJ/mol 97ROB/STE +# Enthalpy of formation: -109.930 kJ/mol + -analytic 13.66373E-1 00.00000E+0 -24.07971E+2 00.00000E+0 00.00000E+0 + ++2.000Cu+2 -2.000H+ +2.000H2O = Cu2(OH)2+2 + log_k -10.55 #97PLY/WAN + delta_h +75.400 #kJ/mol 97PLY/WAN +# Enthalpy of formation: -366.460 kJ/mol + -analytic 26.59513E-1 00.00000E+0 -39.38416E+2 00.00000E+0 00.00000E+0 + ++2.000Cu+ +4.000Cl- = Cu2Cl4-2 + log_k +10.55 #80FRIN in 00PUI/TAX + delta_h -54.860 #kJ/mol 00PUI/TAX +# Enthalpy of formation: -582.002 kJ/mol + -analytic 93.89406E-2 00.00000E+0 28.65537E+2 00.00000E+0 00.00000E+0 + ++2.000Cu+ -1.000H+ +3.000HS- = Cu2S(HS)2-2 + log_k +29.87 #99MON/SEW + delta_h -314.862 #kJ/mol +# Enthalpy of formation: -222.586 kJ/mol + -analytic -25.29145E+0 00.00000E+0 16.44639E+3 00.00000E+0 00.00000E+0 + ++3.000Cu+2 -4.000H+ +4.000H2O = Cu3(OH)4+2 + log_k -20.94 #76ARE/CAL in 97PLY/WAN + delta_h +110.000 #kJ/mol 76ARE/CAL in 97PLY/WAN +# Enthalpy of formation: -838.620 kJ/mol + -analytic -16.68827E-1 00.00000E+0 -57.45700E+2 00.00000E+0 00.00000E+0 + ++3.000Cu+ +6.000Cl- = Cu3Cl6-3 + log_k +15.99 #80FRI in 00PUI/TAX + delta_h +124.510 #kJ/mol 00PUI/TAX +# Enthalpy of formation: -666.203 kJ/mol + -analytic 37.80322E+0 00.00000E+0 -65.03610E+2 00.00000E+0 00.00000E+0 + ++1.000Cu+ +1.000Cl- = CuCl + log_k +3.30 #98XIA/GAM + delta_h +3.763 #kJ/mol +# Enthalpy of formation: -92.728 kJ/mol + -analytic 39.59249E-1 00.00000E+0 -19.65552E+1 00.00000E+0 00.00000E+0 + ++1.000Cu+2 +1.000Cl- = CuCl+ + log_k +0.64 #97WAN/ZHA + delta_h +8.700 #kJ/mol 97WAN/ZHA +# Enthalpy of formation: -93.480 kJ/mol + -analytic 21.64175E-1 00.00000E+0 -45.44326E+1 00.00000E+0 00.00000E+0 + ++1.000Cu+2 +2.000Cl- = CuCl2 + log_k +0.60 #97WAN/ZHA + delta_h +23.000 #kJ/mol 97WAN/ZHA +# Enthalpy of formation: -246.260 kJ/mol + -analytic 46.29427E-1 00.00000E+0 -12.01374E+2 00.00000E+0 00.00000E+0 + ++1.000Cu+ +2.000Cl- = CuCl2- + log_k +5.68 #97WAN/ZHA + delta_h -14.250 #kJ/mol 84FRI in 97WAN/ZHA +# Enthalpy of formation: -277.821 kJ/mol + -analytic 31.83507E-1 00.00000E+0 74.43293E+1 00.00000E+0 00.00000E+0 + ++1.000Cu+2 +3.000Cl- = CuCl3- + log_k -1.28 #97WAN/ZHA + delta_h +22.200 #kJ/mol 97WAN/ZHA +# Enthalpy of formation: -414.140 kJ/mol + -analytic 26.09273E-1 00.00000E+0 -11.59587E+2 00.00000E+0 00.00000E+0 + ++1.000Cu+ +3.000Cl- = CuCl3-2 + log_k +5.03 #97WAN/ZHA + delta_h -27.330 #kJ/mol 97WAN/ZHA +# Enthalpy of formation: -457.981 kJ/mol + -analytic 24.19895E-2 00.00000E+0 14.27545E+2 00.00000E+0 00.00000E+0 + ++1.000Cu+2 +4.000Cl- = CuCl4-2 + log_k -3.98 #97WAN/ZHA + delta_h +28.000 #kJ/mol 97WAN/ZHA +# Enthalpy of formation: -575.420 kJ/mol + -analytic 92.53894E-2 00.00000E+0 -14.62542E+2 00.00000E+0 00.00000E+0 + ++1.000Cu+2 +1.000CO3-2 = CuCO3 + log_k +6.75 #07POW/BRO + delta_h +10.400 #kJ/mol 89SOL/BYR +# Enthalpy of formation: -599.930 kJ/mol + -analytic 85.72002E-1 00.00000E+0 -54.32298E+1 00.00000E+0 00.00000E+0 + ++1.000Cu+2 +1.000H+ +1.000CO3-2 = CuHCO3+ + log_k +12.17 #07POW/BRO + delta_h -5.841 #kJ/mol +# Enthalpy of formation: -616.172 kJ/mol + -analytic 11.14670E+0 00.00000E+0 30.50967E+1 00.00000E+0 00.00000E+0 + ++1.000Cu+ +1.000HS- = CuHS + log_k +13.00 #99MON/SEW + delta_h -44.866 #kJ/mol +# Enthalpy of formation: +9.422 kJ/mol + -analytic 51.39814E-1 00.00000E+0 23.43514E+2 00.00000E+0 00.00000E+0 + ++1.000Cu+ -1.000H+ +1.000H2O = CuOH + log_k -7.68 #11PAL + -analytic -76.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cu+ +1.000S2O3-2 = CuS2O3- + log_k +10.13 + delta_h -51.130 #kJ/mol +# Enthalpy of formation: -632.828 kJ/mol + -analytic 11.72409E-1 00.00000E+0 26.70706E+2 00.00000E+0 00.00000E+0 + ++1.000Cu+2 +1.000SO4-2 = CuSO4 + log_k +2.31 + delta_h +5.102 #kJ/mol +# Enthalpy of formation: -839.338 kJ/mol + -analytic 32.03832E-1 00.00000E+0 -26.64960E+1 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +1.000Acetate- = Eu(Acetate)+2 + log_k +2.90 #12GRI/GAR2 + -analytic 29.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +2.000Acetate- = Eu(Acetate)2+ + log_k +4.80 #12GRI/GAR2 + -analytic 48.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +3.000Acetate- = Eu(Acetate)3 + log_k +5.60 #12GRI/GAR2 + -analytic 56.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +1.000Cit-3 = Eu(Cit) + log_k +8.55 #Analogy with Am + -analytic 85.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +2.000Cit-3 = Eu(Cit)2-3 + log_k +13.90 #Analogy with Am + -analytic 13.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +1.000CO3-2 = Eu(CO3)+ + log_k +7.90 #95SPA/BRU + delta_h +26.150 #kJ/mol +# Enthalpy of formation: -1254.406 kJ/mol + -analytic 12.48128E+0 00.00000E+0 -13.65910E+2 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +2.000CO3-2 = Eu(CO3)2- + log_k +12.90 #95SPA/BRU + -analytic 12.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +3.000CO3-2 = Eu(CO3)3-3 + log_k +14.80 #05VER/VIT2 + -analytic 14.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +1.000Edta-4 = Eu(Edta)- + log_k +19.67 #Analoly with Am(Edta)- + -analytic 19.67000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +1.000H2(PO4)- = Eu(H2PO4)+2 + log_k +2.40 #95SPA/BRU + -analytic 24.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +1.000H+ +1.000Cit-3 = Eu(HCit)+ + log_k +12.86 #Analogy with Am + -analytic 12.86000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +2.000H+ +2.000Cit-3 = Eu(HCit)2- + log_k +23.52 #Analogy with Am + -analytic 23.52000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +1.000H+ +1.000CO3-2 = Eu(HCO3)+2 + log_k +12.43 #95SPA/BRU + -analytic 12.43000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +1.000H+ +1.000Edta-4 = Eu(HEdta) + log_k +21.84 #Analogy with Am(HEdta) + -analytic 21.84000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 -1.000H+ +1.000H2(PO4)- = Eu(HPO4)+ + log_k -1.51 #95SPA/BRU + -analytic -15.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 -2.000H+ +2.000H2(PO4)- = Eu(HPO4)2- + log_k -4.82 #95SPA/BRU + -analytic -48.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +1.000Malonate-2 = Eu(Malonate)+ + log_k +5.43 #13GRI/CAM + -analytic 54.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +2.000Malonate-2 = Eu(Malonate)2- + log_k +7.78 #13GRI/CAM + -analytic 77.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +1.000NO3- = Eu(NO3)+2 + log_k +1.21 #09RAO/TIA1 (Calculated usig SIT) + -analytic 12.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +1.000Nta-3 = Eu(Nta) + log_k +13.00 #Analogy with Am(Nta)(aq) + -analytic 13.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 -1.000H+ +1.000H2O = Eu(OH)+2 + log_k -7.80 #95SPA/BRU + delta_h +51.104 #kJ/mol +# Enthalpy of formation: -840.051 kJ/mol + -analytic 11.53036E-1 00.00000E+0 -26.69348E+2 00.00000E+0 00.00000E+0 + ++1.000Eu+3 -2.000H+ +1.000HGlu- +2.000H2O = Eu(OH)2(HGlu) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 -2.000H+ +1.000HIsa- +2.000H2O = Eu(OH)2(HIsa) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 -2.000H+ +2.000H2O = Eu(OH)2+ + log_k -15.70 #07NEC/ALT2 + delta_h +104.240 #kJ/mol +# Enthalpy of formation: -1072.744 kJ/mol + -analytic 25.62064E-1 00.00000E+0 -54.44834E+2 00.00000E+0 00.00000E+0 + ++1.000Eu+3 -3.000H+ +3.000H2O = Eu(OH)3 + log_k -26.20 #07NEC/ALT2 + delta_h +162.995 #kJ/mol +# Enthalpy of formation: -1299.819 kJ/mol + -analytic 23.55498E-1 00.00000E+0 -85.13822E+2 00.00000E+0 00.00000E+0 + ++1.000Eu+3 -4.000H+ +4.000H2O = Eu(OH)4- + log_k -40.70 #07NEC/ALT2 + delta_h +235.317 #kJ/mol +# Enthalpy of formation: -1513.326 kJ/mol + -analytic 52.57687E-2 00.00000E+0 -12.29146E+3 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +1.000Ox-2 = Eu(Ox)+ + log_k +6.55 #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR + -analytic 65.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +2.000Ox-2 = Eu(Ox)2- + log_k +10.93 # Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR + -analytic 10.93000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +3.000Ox-2 = Eu(Ox)3-3 + log_k +12.48 #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR + -analytic 12.48000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +1.000Phthalat-2 = Eu(Phthalat)+ + log_k +4.96 #11GRI/COL2 + -analytic 49.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +2.000Phthalat-2 = Eu(Phthalat)2- + log_k +7.34 #11GRI/COL2 + -analytic 73.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 -2.000H+ +1.000H2(PO4)- = Eu(PO4) + log_k -7.36 #95SPA/BRU + -analytic -73.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 -4.000H+ +2.000H2(PO4)- = Eu(PO4)2-3 + log_k -18.46 #95SPA/BRU + -analytic -18.46000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +1.000SO4-2 = Eu(SO4)+ + log_k +3.50 #95SPA/BRU + delta_h +15.577 #kJ/mol +# Enthalpy of formation: -1499.088 kJ/mol + -analytic 62.28973E-1 00.00000E+0 -81.36434E+1 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +2.000SO4-2 = Eu(SO4)2- + log_k +5.20 #95SPA/BRU + delta_h +23.017 #kJ/mol +# Enthalpy of formation: -2400.987 kJ/mol + -analytic 92.32405E-1 00.00000E+0 -12.02262E+2 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +1.000Succinat-2 = Eu(Succinat)+ + log_k +4.36 #13GRI/CAM + -analytic 43.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +2.000Succinat-2 = Eu(Succinat)2- + log_k +6.50 #13GRI/CAM + -analytic 65.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +1.000Br- = EuBr+2 + log_k +0.25 #95SPA/BRU + delta_h +1.397 #kJ/mol +# Enthalpy of formation: -725.337 kJ/mol + -analytic 49.47439E-2 00.00000E+0 -72.97039E+0 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +2.000Br- = EuBr2+ + log_k -0.09 #95SPA/BRU + delta_h +7.625 #kJ/mol +# Enthalpy of formation: -840.520 kJ/mol + -analytic 12.45843E-1 00.00000E+0 -39.82815E+1 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +1.000Cl- = EuCl+2 + log_k +0.76 #Original data 01LUO/BYR and 04LUO/BYR + delta_h +19.940 #kJ/mol 00YEH +# Enthalpy of formation: -752.465 kJ/mol + -analytic 42.53338E-1 00.00000E+0 -10.41539E+2 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +2.000Cl- = EuCl2+ + log_k -0.05 #95SPA/BRU + delta_h +22.870 #kJ/mol +# Enthalpy of formation: -916.614 kJ/mol + -analytic 39.56652E-1 00.00000E+0 -11.94583E+2 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +1.000F- = EuF+2 + log_k +4.33 #07LUO/BYR + delta_h +8.190 #kJ/mol 04LUO/MIL +# Enthalpy of formation: -932.485 kJ/mol + -analytic 57.64826E-1 00.00000E+0 -42.77935E+1 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +2.000F- = EuF2+ + log_k +6.55 #Original data from 99SCH/BYR and 04LUO/BYR + delta_h +18.580 #kJ/mol 04LUO/MIL +# Enthalpy of formation: -1257.445 kJ/mol + -analytic 98.05076E-1 00.00000E+0 -97.05010E+1 00.00000E+0 00.00000E+0 + ++1.000Eu+3 +3.000F- = EuF3 + log_k +10.60 #95SPA/BRU + delta_h +27.850 #kJ/mol +# Enthalpy of formation: -1583.524 kJ/mol + -analytic 15.47911E+0 00.00000E+0 -14.54707E+2 00.00000E+0 00.00000E+0 + ++1.000Eu+3 -1.000H+ +1.000H4(SiO4) = EuSiO(OH)3+2 + log_k -2.62 #Original data 07THA/SIN and 96JEN/CHO1 + -analytic -26.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000B(OH)4- = Fe(B(OH)4)+2 + log_k +8.58 #80BAS + -analytic 85.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +2.000B(OH)4- = Fe(B(OH)4)2+ + log_k +15.54 #80BAS + -analytic 15.54000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000Cit-3 = Fe(Cit) + log_k +12.65 #95AKR/BOU + -analytic 12.65000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +1.000Cit-3 = Fe(Cit)- + log_k +6.10 #95AKR/BOU + -analytic 61.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 -1.000H+ +1.000Cit-3 +1.000H2O = Fe(Cit)(OH)- + log_k +10.33 #95AKR/BOU + -analytic 10.33000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +2.000Cit-3 = Fe(Cit)2-3 + log_k +18.15 #95AKR/BOU + -analytic 18.15000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +2.000CO3-2 = Fe(CO3)2-2 + log_k +7.04 #13LEM/BER + delta_h +58.257 #kJ/mol +# Enthalpy of formation: -1382.499 kJ/mol + -analytic 17.24619E+0 00.00000E+0 -30.42975E+2 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +3.000CO3-2 = Fe(CO3)3-3 + log_k +24.00 #05GRI in 13LEM/BER + -analytic 24.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000Edta-4 = Fe(Edta)- + log_k +27.70 #95AKR/BOU + -analytic 27.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +1.000Edta-4 = Fe(Edta)-2 + log_k +16.02 #95AKR/BOU + -analytic 16.02000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +2.000H+ +1.000Cit-3 = Fe(H2Cit)+ + log_k +13.64 #91DUF/JOH + -analytic 13.64000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +2.000H+ +1.000Cit-3 = Fe(H2Cit)+2 + log_k +14.13 #82NAM/PAL + -analytic 14.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +1.000H2(PO4)- = Fe(H2PO4)+ + log_k +2.70 #20LEM/PAL + -analytic 27.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000H2(PO4)- = Fe(H2PO4)+2 + log_k +5.43 #Recalculated from 72NRIa in 20LEM/PAL + -analytic 54.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 -1.000H+ +1.000H4(SiO4) = Fe(H3SiO4)+2 + log_k +0.36 #88CHA/NEW + -analytic 36.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +1.000H+ +1.000Cit-3 = Fe(HCit) + log_k +10.02 #95AKR/BOU + -analytic 10.02000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000H+ +2.000Cit-3 = Fe(HCit)(Cit)-2 + log_k +19.30 #95AKR/BOU + -analytic 19.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000H+ +1.000Cit-3 = Fe(HCit)+ + log_k +13.56 #95AKR/BOU + -analytic 13.56000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +2.000H+ +2.000Cit-3 = Fe(HCit)2- + log_k +24.92 #95AKR/BOU + -analytic 24.92000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000H+ +1.000Edta-4 = Fe(HEdta) + log_k +29.20 #95AKR/BOU + -analytic 29.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +1.000H+ +1.000Edta-4 = Fe(HEdta)- + log_k +18.30 #95AKR/BOU + -analytic 18.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +1.000H+ +1.000Nta-3 = Fe(HNta) + log_k +12.30 #95AKR/BOU + -analytic 12.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000H+ +1.000Ox-2 = Fe(HOx)+2 + log_k +9.30 #95AKR/BOU + -analytic 93.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 -1.000H+ +1.000H2(PO4)- = Fe(HPO4) + log_k -3.61 #USGS original + -analytic -36.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +1.000HS- = Fe(HS)+ + log_k +4.34 #04CHI + -analytic 43.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +2.000HS- = Fe(HS)2 + log_k +6.45 #04CHI + -analytic 64.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000H+ +1.000SeO3-2 = Fe(HSeO3)+2 + log_k +12.35 #01SEB/POT2 + -analytic 12.35000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +1.000NH3 = Fe(NH3)+2 + log_k +1.30 #82SCH + -analytic 13.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +2.000NH3 = Fe(NH3)2+2 + log_k +2.10 #82SCH + -analytic 21.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +4.000NH3 = Fe(NH3)4+2 + log_k +3.60 #82SCH + -analytic 36.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000NO3- = Fe(NO3)+2 + log_k +0.95 #HATCHES 8.0 1996 + -analytic 95.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000Nta-3 = Fe(Nta) + log_k +18.60 #95AKR/BOU + -analytic 18.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +1.000Nta-3 = Fe(Nta)- + log_k +10.60 #95AKR/BOU + -analytic 10.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +2.000Nta-3 = Fe(Nta)2-3 + log_k +27.00 #95AKR/BOU + -analytic 27.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +2.000Nta-3 = Fe(Nta)2-4 + log_k +13.50 #95AKR/BOU + -analytic 13.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 -1.000H+ +1.000Cit-3 +1.000H2O = Fe(OH)(Cit)-2 + log_k -0.86 #91DUF/JOH + -analytic -86.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 -1.000H+ +1.000Edta-4 +1.000H2O = Fe(OH)(Edta)-2 + log_k +20.84 #95AKR/BOU + -analytic 20.84000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 -1.000H+ +1.000Edta-4 +1.000H2O = Fe(OH)(Edta)-3 + log_k +6.40 #95AKR/BOU + -analytic 64.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 -1.000H+ +1.000Nta-3 +1.000H2O = Fe(OH)(Nta)- + log_k +14.60 #95AKR/BOU + -analytic 14.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 -1.000H+ +1.000Nta-3 +1.000H2O = Fe(OH)(Nta)-2 + log_k -0.12 #95AKR/BOU + -analytic -12.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 -1.000H+ +1.000H2O = Fe(OH)+ + log_k -9.25 #21RIB/BEG + delta_h +40.921 #kJ/mol 21RIB/BEG +# Enthalpy of formation: -335.204 kJ/mol + -analytic -20.80949E-1 00.00000E+0 -21.37453E+2 00.00000E+0 00.00000E+0 + ++1.000Fe+3 -1.000H+ +1.000H2O = Fe(OH)+2 + log_k -2.15 #13LEM/BER + delta_h +38.800 #kJ/mol 13LEM/BER +# Enthalpy of formation: -297.086 kJ/mol + -analytic 46.47468E-1 00.00000E+0 -20.26665E+2 00.00000E+0 00.00000E+0 + ++1.000Fe+2 -2.000H+ +2.000H2O = Fe(OH)2 + log_k -20.84 #21RIB/BEG + delta_h +114.131 #kJ/mol 21RIB/BEG +# Enthalpy of formation: -547.824 kJ/mol + -analytic -84.51071E-2 00.00000E+0 -59.61477E+2 00.00000E+0 00.00000E+0 + ++1.000Fe+3 -2.000H+ +1.000Cit-3 +2.000H2O = Fe(OH)2(Cit)-2 + log_k +2.90 #95AKR/BOU + -analytic 29.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 -2.000H+ +1.000Edta-4 +2.000H2O = Fe(OH)2(Edta)-3 + log_k +10.06 #95AKR/BOU + -analytic 10.06000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 -2.000H+ +1.000Edta-4 +2.000H2O = Fe(OH)2(Edta)-4 + log_k -4.40 #95AKR/BOU + -analytic -44.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 -2.000H+ +1.000Nta-3 +2.000H2O = Fe(OH)2(Nta)-2 + log_k +6.00 #95AKR/BOU + -analytic 60.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 -2.000H+ +2.000H2O = Fe(OH)2+ + log_k -4.80 #13LEM/BER + delta_h +71.546 #kJ/mol 76BAE/MES in 98CHI +# Enthalpy of formation: -550.170 kJ/mol + -analytic 77.34321E-1 00.00000E+0 -37.37108E+2 00.00000E+0 00.00000E+0 + ++1.000Fe+3 -3.000H+ +3.000H2O = Fe(OH)3 + log_k -12.56 #95BOU in 04CHI + delta_h +103.764 #kJ/mol 95BOU in 04CHI +# Enthalpy of formation: -803.782 kJ/mol + -analytic 56.18672E-1 00.00000E+0 -54.19971E+2 00.00000E+0 00.00000E+0 + ++1.000Fe+2 -3.000H+ +3.000H2O = Fe(OH)3- + log_k -33.84 #21RIB/BEG + delta_h +162.231 #kJ/mol 21RIB/BEG +# Enthalpy of formation: -785.554 kJ/mol + -analytic -54.18349E-1 00.00000E+0 -84.73915E+2 00.00000E+0 00.00000E+0 + ++1.000Fe+3 -3.000H+ +1.000Edta-4 +3.000H2O = Fe(OH)3(Edta)-4 + log_k -2.24 #51SCH/HEL + -analytic -22.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 -4.000H+ +4.000H2O = Fe(OH)4- + log_k -21.60 #76BAE/MES in 04CHI + delta_h +133.471 #kJ/mol 95BOU in 04CHI +# Enthalpy of formation: -1059.905 kJ/mol + -analytic 17.83115E-1 00.00000E+0 -69.71676E+2 00.00000E+0 00.00000E+0 + ++1.000Fe+2 -4.000H+ +4.000H2O = Fe(OH)4-2 + log_k -46.32 #21RIB/BEG from 56GAY/WOO + delta_h +160.750 #kJ/mol +# Enthalpy of formation: -1072.864 kJ/mol + -analytic -18.15781E+0 00.00000E+0 -83.96557E+2 00.00000E+0 00.00000E+0 + ++1.000Fe+3 -1.000H+ +1.000CO3-2 +1.000H2O = Fe(OH)CO3 + log_k +10.70 #05GRI + -analytic 10.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +1.000Ox-2 = Fe(Ox) + log_k +4.10 #95AKR/BOU + -analytic 41.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000Ox-2 = Fe(Ox)+ + log_k +9.53 #95AKR/BOU + -analytic 95.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +2.000Ox-2 = Fe(Ox)2- + log_k +15.75 #95AKR/BOU + -analytic 15.75000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +2.000Ox-2 = Fe(Ox)2-2 + log_k +6.20 #95AKR/BOU + -analytic 62.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +3.000Ox-2 = Fe(Ox)3-3 + log_k +20.20 #95AKR/BOU + -analytic 20.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +3.000Ox-2 = Fe(Ox)3-4 + log_k +5.22 #95AKR/BOU + -analytic 52.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 -2.000H+ +1.000H2(PO4)- = Fe(PO4) + log_k +3.44 #Recalculated from 07IUL/CIA in 20LEM/PAL + -analytic 34.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000SeO3-2 = Fe(SeO3)+ + log_k +11.15 #05OLI/NOL + -analytic 11.15000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +1.000SeO4-2 = Fe(SeO4) + log_k +2.71 #01SEB/POT2 + delta_h -12.425 #kJ/mol +# Enthalpy of formation: -706.220 kJ/mol + -analytic 53.32334E-2 00.00000E+0 64.90029E+1 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +1.000SO4-2 = Fe(SO4) + log_k +2.44 #13LEM/BER + delta_h +8.400 #kJ/mol 13LEM/BER +# Enthalpy of formation: -991.235 kJ/mol + -analytic 39.11617E-1 00.00000E+0 -43.87626E+1 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000SO4-2 = Fe(SO4)+ + log_k +4.25 #13LEM/BER + delta_h +26.000 #kJ/mol Suggested but not selected 13LEM/BER +# Enthalpy of formation: -933.396 kJ/mol + -analytic 88.05004E-1 00.00000E+0 -13.58075E+2 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +2.000SO4-2 = Fe(SO4)2- + log_k +6.22 #91PEA/BER in 98CHI + -analytic 62.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Fe+3 -2.000H+ +2.000Cit-3 +2.000H2O = Fe2(Cit)2(OH)2-2 + log_k +17.00 #95AKR/BOU + -analytic 17.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Fe+3 -2.000H+ +2.000Edta-4 +2.000H2O = Fe2(OH)2(Edta)2-4 + log_k +40.00 #95AKR/BOU + -analytic 40.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Fe+3 -2.000H+ +2.000H2O = Fe2(OH)2+4 + log_k -2.82 #13LEM/BER + delta_h +44.000 #kJ/mol 13LEM/BER +# Enthalpy of formation: -627.772 kJ/mol + -analytic 48.88469E-1 00.00000E+0 -22.98280E+2 00.00000E+0 00.00000E+0 + ++3.000Fe+3 -4.000H+ +4.000H2O = Fe3(OH)4+5 + log_k -6.30 #76BAE/MES in 98CHI + delta_h +59.831 #kJ/mol 76BAE/MES +# Enthalpy of formation: -1233.657 kJ/mol + -analytic 41.81941E-1 00.00000E+0 -31.25191E+2 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000Br- = FeBr+2 + log_k +0.70 #88CHA/NEW + -analytic 70.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +2.000Br- = FeBr2+ + log_k +0.90 #96FAL/REA + -analytic 90.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +1.000Cl- = FeCl+ + log_k +1.00 #Suggested in 13LEM/BER + delta_h +21.551 #kJ/mol 13LEM/BER +# Enthalpy of formation: -235.824 kJ/mol + -analytic 47.75573E-1 00.00000E+0 -11.25687E+2 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000Cl- = FeCl+2 + log_k +1.52 #13LEM/BER + delta_h +22.500 #kJ/mol 13LEM/BER +# Enthalpy of formation: -194.636 kJ/mol + -analytic 54.61831E-1 00.00000E+0 -11.75257E+2 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +2.000Cl- = FeCl2+ + log_k +2.22 #13LEM/BER + -analytic 22.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +3.000Cl- = FeCl3 + log_k +1.02 #13LEM/BER + -analytic 10.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +4.000Cl- = FeCl4- + log_k -0.98 #13LEM/BER + -analytic -98.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +1.000CO3-2 = FeCO3 + log_k +5.27 #13LEM/BER + delta_h -3.367 #kJ/mol +# Enthalpy of formation: -768.892 kJ/mol + -analytic 46.80127E-1 00.00000E+0 17.58707E+1 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000CrO4-2 = FeCrO4+ + log_k +7.80 #96BAR/PAL + delta_h +19.100 #kJ/mol 96BAR/PAL +# Enthalpy of formation: -909.956 kJ/mol + -analytic 11.14618E+0 00.00000E+0 -99.76625E+1 00.00000E+0 00.00000E+0 + ++1.000Fe+2 +1.000F- = FeF+ + log_k +1.70 #13LEM/BER + -analytic 17.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000F- = FeF+2 + log_k +6.09 #20LEM/PAL + delta_h +12.800 #kJ/mol 20LEM/PAL +# Enthalpy of formation: -372.606 kJ/mol + -analytic 83.32464E-1 00.00000E+0 -66.85906E+1 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +2.000F- = FeF2+ + log_k +10.41 #Calculated in 20LEM/PAL + delta_h +22.000 #kJ/mol Calculated in 20LEM/PAL +# Enthalpy of formation: -698.756 kJ/mol + -analytic 14.26423E+0 00.00000E+0 -11.49140E+2 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +2.000H+ +1.000Pyrophos-4 = FeH2Pyrophos+ + log_k +26.00 #88CHA/NEW + -analytic 26.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000I- = FeI+2 + log_k +2.10 #96BOU2 + -analytic 21.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Fe+3 +1.000S2O3-2 = FeS2O3+ + log_k +3.90 #82SCH + -analytic 39.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Adipate-2 = H(Adipate)- + log_k +5.45 #04MAR/SMI + -analytic 54.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000H3(AsO3) = H(AsO3)-2 + log_k -23.62 #79IVA/VOR + -analytic -23.62000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000AsO4-3 = H(AsO4)-2 + log_k +11.60 + delta_h -18.200 #kJ/mol +# Enthalpy of formation: -906.340 kJ/mol 09RAN/FUG + -analytic 84.11497E-1 00.00000E+0 95.06522E+1 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Cit-3 = H(Cit)-2 + log_k +6.36 #05HUM/AND + delta_h +3.300 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1516.620 kJ/mol + -analytic 69.38135E-1 00.00000E+0 -17.23710E+1 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Edta-4 = H(Edta)-3 + log_k +11.24 #05HUM/AND + delta_h -19.800 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1724.600 kJ/mol + -analytic 77.71189E-1 00.00000E+0 10.34226E+2 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Malonate-2 = H(Malonate)- + log_k +5.71 #13GRI/CAM + -analytic 57.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Nta-3 = H(Nta)-2 + log_k +10.28 #95AKR/BOU + -analytic 10.28000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Ox-2 = H(Ox)- + log_k +4.25 #05HUM/AND + delta_h +7.300 #kJ/mol 05HUM/AND +# Enthalpy of formation: -823.360 kJ/mol + -analytic 55.28905E-1 00.00000E+0 -38.13056E+1 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Pyrophos-4 = H(Pyrophos)-3 + log_k +9.40 #92GRE/FUG + -analytic 94.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000S2O3-2 = H(S2O3)- + log_k +1.72 #04CHI + delta_h +8.253 #kJ/mol +# Enthalpy of formation: -644.033 kJ/mol + -analytic 31.65864E-1 00.00000E+0 -43.10842E+1 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000SeO3-2 = H(SeO3)- + log_k +8.36 #05OLI/NOL + delta_h -5.170 #kJ/mol +# Enthalpy of formation: -512.330 kJ/mol 05OLI/NOL + -analytic 74.54255E-1 00.00000E+0 27.00479E+1 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000SeO4-2 = H(SeO4)- + log_k +1.75 #05OLI/NOL + delta_h +20.800 #kJ/mol 05OLI/NOL +# Enthalpy of formation: -582.700 kJ/mol + -analytic 53.94004E-1 00.00000E+0 -10.86460E+2 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000SO3-2 = H(SO3)- + log_k +7.17 #85GOL/PAR + delta_h +3.668 #kJ/mol +# Enthalpy of formation: -627.392 kJ/mol + -analytic 78.12606E-1 00.00000E+0 -19.15930E+1 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000SO4-2 = H(SO4)- + log_k +1.98 + delta_h +22.440 #kJ/mol +# Enthalpy of formation: -886.900 kJ/mol 92GRE/FUG + -analytic 59.11319E-1 00.00000E+0 -11.72123E+2 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Suberate-2 = H(Suberate)- + log_k +5.40 #31GAN/ING + -analytic 54.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Succinat-2 = H(Succinat)- + log_k +5.71 #13GRI/CAM + -analytic 57.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000Adipate-2 = H2(Adipate) + log_k +9.89 #04MAR/SMI + -analytic 98.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000H3(AsO3) = H2(AsO3)- + log_k -9.22 + delta_h +27.410 #kJ/mol +# Enthalpy of formation: -714.790 kJ/mol 10RAN/FUG + -analytic -44.17974E-1 00.00000E+0 -14.31724E+2 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000AsO4-3 = H2(AsO4)- + log_k +18.37 + delta_h -21.420 #kJ/mol +# Enthalpy of formation: -909.560 kJ/mol 09RAN/FUG + -analytic 14.61738E+0 00.00000E+0 11.18845E+2 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000Cit-3 = H2(Cit)- + log_k +11.14 #05HUM/AND + delta_h +0.900 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1519.020 kJ/mol + -analytic 11.29767E+0 00.00000E+0 -47.01027E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000Edta-4 = H2(Edta)-2 + log_k +18.04 #05HUM/AND + delta_h -35.000 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1739.800 kJ/mol + -analytic 11.90826E+0 00.00000E+0 18.28177E+2 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000Malonate-2 = H2(Malonate) + log_k +8.67 #13GRI/CAM + -analytic 86.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000Nta-3 = H2(Nta)- + log_k +13.20 #95AKR/BOU + -analytic 13.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000Ox-2 = H2(Ox) + log_k +5.65 #05HUM/AND + delta_h +10.600 #kJ/mol 05HUM/AND +# Enthalpy of formation: -820.060 kJ/mol + -analytic 75.07040E-1 00.00000E+0 -55.36766E+1 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000Pyrophos-4 = H2(Pyrophos)-2 + log_k +16.05 #92GRE/FUG + -analytic 16.05000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000S2O3-2 = H2(S2O3) + log_k +2.32 #04CHI + delta_h +22.917 #kJ/mol +# Enthalpy of formation: -629.369 kJ/mol + -analytic 63.34886E-1 00.00000E+0 -11.97038E+2 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000SeO3-2 = H2(SeO3) + log_k +11.00 #05OLI/NOL + delta_h +1.840 #kJ/mol +# Enthalpy of formation: -505.320 kJ/mol 05OLI/NOL + -analytic 11.32235E+0 00.00000E+0 -96.10989E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000H4(SiO4) = H2(SiO4)-2 + log_k -23.14 #92GRE/FUG + delta_h +75.000 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1386.194 kJ/mol + -analytic -10.00056E+0 00.00000E+0 -39.17523E+2 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000SO3-2 = H2(SO3) + log_k +9.03 #85GOL/PAR + delta_h +21.453 #kJ/mol +# Enthalpy of formation: -609.607 kJ/mol + -analytic 12.78840E+0 00.00000E+0 -11.20568E+2 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000Suberate-2 = H2(Suberate) + log_k +9.92 #31GAN/ING + -analytic 99.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000Succinat-2 = H2(Succinat) + log_k +9.95 #13GRI/CAM + -analytic 99.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000CrO4-2 = H2CrO4 + log_k +6.32 #76BAE/MES, 04CHI + delta_h +39.596 #kJ/mol +# Enthalpy of formation: -839.404 kJ/mol + -analytic 13.25692E+0 00.00000E+0 -20.68243E+2 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000H2(PO4)- +1.000CrO4-2 -1.000H2O = H2CrPO7- + log_k +9.02 + delta_h -51.490 #kJ/mol +# Enthalpy of formation: -1947.260 kJ/mol 76DEL/HAL + -analytic -66.07802E-5 00.00000E+0 26.89510E+2 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000HGlu- = H2Glu + log_k +3.90 #98ZUB/CAS + -analytic 39.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000HIsa- = H2Isa + log_k +4.00 #05HUM/AND + -analytic 40.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000MoO4-2 = H2MoO4 + log_k +8.15 #68SAS/SIL, 64AVE/ANA; + -analytic 81.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000Phthalat-2 = H2Phthalat + log_k +8.32 #10RIC/SAB1 + -analytic 83.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000HS- = H2S + log_k +6.99 + delta_h -22.300 #kJ/mol +# Enthalpy of formation: -38.600 kJ/mol 89COX/WAG + -analytic 30.83208E-1 00.00000E+0 11.64810E+2 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000S2O4-2 = H2S2O4 + log_k +2.80 #04CHI + delta_h +20.193 #kJ/mol +# Enthalpy of formation: -733.307 kJ/mol + -analytic 63.37662E-1 00.00000E+0 -10.54754E+2 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000HSe- = H2Se + log_k +3.85 + delta_h +0.000 #kJ/mol +# Enthalpy of formation: +14.300 kJ/mol 05OLI/NOL + -analytic 38.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000H+ +1.000AsO4-3 = H3(AsO4) + log_k +20.63 + delta_h -14.360 #kJ/mol +# Enthalpy of formation: -902.500 kJ/mol 09RAN/FUG + -analytic 18.11424E+0 00.00000E+0 75.00750E+1 00.00000E+0 00.00000E+0 + ++3.000H+ +1.000Cit-3 = H3(Cit) + log_k +14.27 #05HUM/AND + delta_h -3.600 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1523.520 kJ/mol + -analytic 13.63931E+0 00.00000E+0 18.80411E+1 00.00000E+0 00.00000E+0 + ++3.000H+ +1.000Edta-4 = H3(Edta)- + log_k +21.19 #05HUM/AND + delta_h -27.900 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1732.700 kJ/mol + -analytic 16.30213E+0 00.00000E+0 14.57318E+2 00.00000E+0 00.00000E+0 + ++3.000H+ +1.000Nta-3 = H3(Nta) + log_k +15.33 #95AKR/BOU + -analytic 15.33000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000H2(PO4)- = H3(PO4) + log_k +2.14 #92GRE/FUG + delta_h +8.480 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1294.120 kJ/mol + -analytic 36.25632E-1 00.00000E+0 -44.29412E+1 00.00000E+0 00.00000E+0 + ++3.000H+ +1.000Pyrophos-4 = H3(Pyrophos)- + log_k +18.30 #92GRE/FUG + -analytic 18.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000H4(SiO4) = H3(SiO4)- + log_k -9.84 #06BLA/PIA; Uncertainty to include available data. + delta_h +29.363 #kJ/mol +# Enthalpy of formation: -1431.831 kJ/mol + -analytic -46.95823E-1 00.00000E+0 -15.33736E+2 00.00000E+0 00.00000E+0 + ++4.000H+ +1.000Edta-4 = H4(Edta) + log_k +23.42 #05HUM/AND + delta_h -26.000 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1730.800 kJ/mol + -analytic 18.86500E+0 00.00000E+0 13.58075E+2 00.00000E+0 00.00000E+0 + ++4.000H+ +1.000Nta-3 = H4(Nta)+ + log_k +16.13 #95AKR/BOU + -analytic 16.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++4.000H+ +1.000Pyrophos-4 = H4(Pyrophos) + log_k +19.30 #92GRE/FUG +# Enthalpy of formation: -2280.210 kJ/mol 92GRE/FUG + -analytic 19.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++5.000H+ +1.000Edta-4 = H5(Edta)+ + log_k +24.72 #05HUM/AND + -analytic 24.72000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++6.000H+ +1.000Edta-4 = H6(Edta)+2 + log_k +24.22 #05HUM/AND + -analytic 24.22000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Acetate- = HAcetate + log_k +4.76 + delta_h +0.250 #kJ/mol +# Enthalpy of formation: -485.760 kJ/mol 82WAG/EVA + -analytic 48.03798E-1 00.00000E+0 -13.05841E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +2.000B(OH)4- -4.000H2O = HB2O4- + log_k +9.17 #97CRO + -analytic 91.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000CO3-2 = HCO3- + log_k +10.33 + delta_h -14.700 #kJ/mol +# Enthalpy of formation: -689.930 kJ/mol 89COX/WAG + -analytic 77.54671E-1 00.00000E+0 76.78345E+1 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000CrO4-2 = HCrO4- + log_k +6.52 #87PAL/WES, 04CHI + delta_h +6.016 #kJ/mol +# Enthalpy of formation: -872.985 kJ/mol + -analytic 75.73958E-1 00.00000E+0 -31.42376E+1 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000H2(PO4)- +1.000CrO4-2 -1.000H2O = HCrPO7-2 + log_k +6.37 + delta_h -36.390 #kJ/mol +# Enthalpy of formation: -1932.160 kJ/mol 76DEL/HEP + -analytic -52.54337E-4 00.00000E+0 19.00782E+2 00.00000E+0 00.00000E+0 + ++4.000CO3-2 +1.000Hf+4 = Hf(CO3)4-4 + log_k +42.90 #analogy with Zr + -analytic 42.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000NO3- +1.000Hf+4 = Hf(NO3)2+2 + log_k +2.49 #65DES/KHO recalculated; Uncertainty to include available data. + -analytic 24.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Hf+4 +1.000H2O = Hf(OH)+3 + log_k -0.20 #01RAI/XIA; Uncertainty to include available data. + -analytic -20.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-4.000H+ +1.000Hf+4 +4.000H2O = Hf(OH)4 + log_k -11.20 #01RAI/XIA; Uncertainty to include available data. + -analytic -11.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-5.000H+ +1.000Hf+4 +5.000H2O = Hf(OH)5- + log_k -20.30 #01RAI/XIA + -analytic -20.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-6.000H+ +1.000Hf+4 +6.000H2O = Hf(OH)6-2 + log_k -32.80 #01RAI/XIA + -analytic -32.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000SO4-2 +1.000Hf+4 = Hf(SO4)2 + log_k +10.11 #65DES/KHO recalculated;Uncertainty to include available data. + -analytic 10.11000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Br- +1.000Hf+4 = HfBr+3 + log_k +0.38 #67HAL/POH recalculated + -analytic 38.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cl- +1.000Hf+4 = HfCl+3 + log_k +2.20 #65DES/KHO and others recalculated + -analytic 22.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Cl- +1.000Hf+4 = HfCl2+2 + log_k +2.05 #65DES/KHO and others recalculated; Uncertainty to include available data. + -analytic 20.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000F- +1.000Hf+4 = HfF+3 + log_k +9.29 #05SAW/THA and others recalculated + -analytic 92.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000F- +1.000Hf+4 = HfF2+2 + log_k +17.85 #05SAW/THA and others recalculated + -analytic 17.85000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000F- +1.000Hf+4 = HfF3+ + log_k +25.08 #05SAW/THA and others recalculated + -analytic 25.08000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++4.000F- +1.000Hf+4 = HfF4 + log_k +31.41 #05SAW/THA and others recalculated + -analytic 31.41000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000I- +1.000Hf+4 = HfI+3 + log_k +0.02 #67HAL/POH recalculated + -analytic 20.00000E-3 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NO3- +1.000Hf+4 = HfNO3+3 + log_k +1.85 #65DES/KHO 69HAL/SMO recalculated; Uncertainty to include available data. + -analytic 18.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000SO4-2 +1.000Hf+4 = HfSO4+2 + log_k +6.06 #65DES/KHO recalculated; Uncertainty to include available data. + -analytic 60.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000CO3-2 +1.000Hg+2 = Hg(CO3) + log_k +11.47 #05POW/BRO + -analytic 11.47000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000CO3-2 +1.000Hg+2 = Hg(HCO3)+ + log_k +15.80 #05POW/BRO + -analytic 15.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000HS- +1.000Hg+2 = Hg(HS)+ + log_k +30.50 #99BEN/GIL + -analytic 30.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000HS- +1.000Hg+2 = Hg(HS)2 + log_k +37.50 #99BEN/GIL + -analytic 37.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000H2O +1.000Hg+2 = Hg(OH)+ + log_k -3.40 #05POW/BRO + -analytic -34.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +2.000H2O +1.000Hg+2 = Hg(OH)2 + log_k -5.98 #05POW/BRO + delta_h +51.500 #kJ/mol 05POW/BRO +# Enthalpy of formation: -349.950 kJ/mol + -analytic 30.42413E-1 00.00000E+0 -26.90032E+2 00.00000E+0 00.00000E+0 + +-3.000H+ +3.000H2O +1.000Hg+2 = Hg(OH)3- + log_k -21.10 #05POW/BRO + -analytic -21.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Cl- +1.000H2O +1.000Hg+2 = Hg(OH)Cl + log_k +4.27 #05POW/BRO + -analytic 42.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000CO3-2 +1.000H2O +1.000Hg+2 = Hg(OH)CO3- + log_k +5.33 #05POW/BRO + -analytic 53.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000H2O +1.000Hg2+2 = Hg2(OH)+ + log_k -5.00 #76BAE/MES + -analytic -50.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000H2O +2.000Hg+2 = Hg2(OH)+3 + log_k -3.33 #76BAE/MES + -analytic -33.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-3.000H+ +3.000H2O +3.000Hg+2 = Hg3(OH)3+3 + log_k -6.42 #76BAE/MES + -analytic -64.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Cl- +1.000Hg+2 = HgCl+ + log_k +7.31 #05POW/BRO + delta_h -21.300 #kJ/mol 05POW/BRO +# Enthalpy of formation: -18.170 kJ/mol + -analytic 35.78400E-1 00.00000E+0 11.12576E+2 00.00000E+0 00.00000E+0 + ++2.000Cl- +1.000Hg+2 = HgCl2 + log_k +14.00 #05POW/BRO + delta_h -49.100 #kJ/mol 05POW/BRO +# Enthalpy of formation: -213.050 kJ/mol + -analytic 53.98049E-1 00.00000E+0 25.64672E+2 00.00000E+0 00.00000E+0 + ++3.000Cl- +1.000Hg+2 = HgCl3- + log_k +14.93 #05POW/BRO + delta_h -48.600 #kJ/mol 05POW/BRO +# Enthalpy of formation: -379.630 kJ/mol + -analytic 64.15645E-1 00.00000E+0 25.38555E+2 00.00000E+0 00.00000E+0 + ++4.000Cl- +1.000Hg+2 = HgCl4-2 + log_k +15.54 #05POW/BRO + delta_h -59.100 #kJ/mol 05POW/BRO +# Enthalpy of formation: -557.210 kJ/mol + -analytic 51.86124E-1 00.00000E+0 30.87008E+2 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000H2(PO4)- +1.000Hg+2 = HgHPO4 + log_k +2.86 #05POW/BRO + -analytic 28.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000H2(PO4)- +1.000Hg+2 = HgPO4- + log_k -2.63 #05POW/BRO + -analytic -26.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000HS- +1.000Hg+2 = HgS + log_k +26.50 #99BEN/GIL + -analytic 26.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +2.000HS- +1.000Hg+2 = HgS(HS)- + log_k +32.00 #99BEN/GIL + -analytic 32.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +2.000HS- +1.000Hg+2 = HgS2-2 + log_k +23.50 #99BEN/GIL + -analytic 23.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000SO4-2 +1.000Hg+2 = HgSO4 + log_k +2.68 #05POW/BRO + -analytic 26.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000MoO4-2 = HMoO4- + log_k +4.11 #68SAS/SIL, 64AVE/ANA + delta_h +58.576 #kJ/mol 68ARN/SZI in 76BAE/MES +# Enthalpy of formation: -938.424 kJ/mol + -analytic 14.37207E+0 00.00000E+0 -30.59638E+2 00.00000E+0 00.00000E+0 + ++1.000Ho+3 +1.000CO3-2 = Ho(CO3)+ + log_k +8.00 #95SPA/BRU + delta_h -55.444 #kJ/mol +# Enthalpy of formation: -1437.717 kJ/mol + -analytic -17.13372E-1 00.00000E+0 28.96042E+2 00.00000E+0 00.00000E+0 + ++1.000Ho+3 +2.000CO3-2 = Ho(CO3)2- + log_k +13.30 #95SPA/BRU + -analytic 13.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ho+3 +3.000CO3-2 = Ho(CO3)3-3 + log_k +14.80 #05VER/VIT2 + -analytic 14.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ho+3 +1.000H2(PO4)- = Ho(H2PO4)+2 + log_k +2.30 #95SPA/BRU + -analytic 23.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Ho+3 +1.000CO3-2 = Ho(HCO3)+2 + log_k +12.50 #95SPA/BRU + -analytic 12.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Ho+3 +1.000H2(PO4)- = Ho(HPO4)+ + log_k -1.41 #95SPA/BRU + -analytic -14.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000Ho+3 +2.000H2(PO4)- = Ho(HPO4)2- + log_k -4.52 #95SPA/BRU + -analytic -45.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ho+3 +1.000NO3- = Ho(NO3)+2 + log_k +0.50 #95SPA/BRU + -analytic 50.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Ho+3 +1.000H2O = Ho(OH)+2 + log_k -7.90 #95SPA/BRU + delta_h +53.296 #kJ/mol +# Enthalpy of formation: -939.576 kJ/mol + -analytic 14.37058E-1 00.00000E+0 -27.83844E+2 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000Ho+3 +2.000H2O = Ho(OH)2+ + log_k -15.70 #07NEC/ALT2 + delta_h +105.862 #kJ/mol +# Enthalpy of formation: -1172.840 kJ/mol + -analytic 28.46226E-1 00.00000E+0 -55.29557E+2 00.00000E+0 00.00000E+0 + +-3.000H+ +1.000Ho+3 +3.000H2O = Ho(OH)3 + log_k -26.20 #07NEC/ALT2 + delta_h +164.617 #kJ/mol +# Enthalpy of formation: -1399.915 kJ/mol + -analytic 26.39660E-1 00.00000E+0 -85.98545E+2 00.00000E+0 00.00000E+0 + +-4.000H+ +1.000Ho+3 +4.000H2O = Ho(OH)4- + log_k -40.70 #07NEC/ALT2 + delta_h +236.939 #kJ/mol +# Enthalpy of formation: -1613.422 kJ/mol + -analytic 80.99309E-2 00.00000E+0 -12.37619E+3 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000Ho+3 +1.000H2(PO4)- = Ho(PO4) + log_k -6.96 #95SPA/BRU + -analytic -69.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-4.000H+ +1.000Ho+3 +2.000H2(PO4)- = Ho(PO4)2-3 + log_k -17.82 #95SPA/BRU + -analytic -17.82000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ho+3 +1.000SO4-2 = Ho(SO4)+ + log_k +3.40 #95SPA/BRU + delta_h +15.384 #kJ/mol +# Enthalpy of formation: -1600.998 kJ/mol + -analytic 60.95161E-1 00.00000E+0 -80.35623E+1 00.00000E+0 00.00000E+0 + ++1.000Ho+3 +2.000SO4-2 = Ho(SO4)2- + log_k +4.90 #95SPA/BRU + delta_h +23.668 #kJ/mol +# Enthalpy of formation: -2502.054 kJ/mol + -analytic 90.46456E-1 00.00000E+0 -12.36266E+2 00.00000E+0 00.00000E+0 + ++1.000Ho+3 +1.000Cl- = HoCl+2 + log_k +0.74 #Original data from 01LUO/BYR and 04LUO/BYR + delta_h +7.959 #kJ/mol +# Enthalpy of formation: -866.163 kJ/mol + -analytic 21.34357E-1 00.00000E+0 -41.57275E+1 00.00000E+0 00.00000E+0 + ++1.000Ho+3 +2.000Cl- = HoCl2+ + log_k -0.29 #81TUR/WHI + delta_h +25.862 #kJ/mol +# Enthalpy of formation: -1015.340 kJ/mol + -analytic 42.40828E-1 00.00000E+0 -13.50866E+2 00.00000E+0 00.00000E+0 + ++1.000Ho+3 +1.000F- = HoF+2 + log_k +4.33 #07LUO/BYR + delta_h +10.020 #kJ/mol 04LUO/MIL +# Enthalpy of formation: -1032.372 kJ/mol + -analytic 60.85429E-1 00.00000E+0 -52.33811E+1 00.00000E+0 00.00000E+0 + ++1.000Ho+3 +2.000F- = HoF2+ + log_k +6.52 #Original data from 99SCH/BYR and 04LUO/BYR + delta_h +21.110 #kJ/mol 04LUO/MIL +# Enthalpy of formation: -1356.632 kJ/mol + -analytic 10.21831E+0 00.00000E+0 -11.02652E+2 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Ho+3 +1.000H4(SiO4) = HoSiO(OH)3+2 + log_k -2.62 #Original data from 07THA/SIN and 96JEN/CHO1 + -analytic -26.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Phthalat-2 = HPhthalat- + log_k +5.34 #10RIC/SAB1 + -analytic 53.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000H2(PO4)- = HPO4-2 + log_k -7.21 + delta_h +3.600 #kJ/mol +# Enthalpy of formation: -1299.000 kJ/mol 89COX/WAG + -analytic -65.79307E-1 00.00000E+0 -18.80411E+1 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000S2O4-2 = HS2O4- + log_k +2.50 #04CHI + delta_h +3.818 #kJ/mol +# Enthalpy of formation: -749.683 kJ/mol + -analytic 31.68885E-1 00.00000E+0 -19.94280E+1 00.00000E+0 00.00000E+0 + +-1.000H+ -2.000e- +1.000SO4-2 +1.000H2O = HSO5- + log_k -60.21 + delta_h +419.540 #kJ/mol +# Enthalpy of formation: -775.630 kJ/mol 88SHO/HEL + -analytic 13.29025E+0 00.00000E+0 -21.91410E+3 00.00000E+0 00.00000E+0 + +-2.000e- +3.000I- = I3- + log_k -18.17 + delta_h +118.877 #kJ/mol +# Enthalpy of formation: -51.463 kJ/mol 92JOH/OEL + -analytic 26.56356E-1 00.00000E+0 -62.09378E+2 00.00000E+0 00.00000E+0 + +-2.000e- +2.000Cl- +1.000I- = ICl2- + log_k -26.80 #96FAL/REA + -analytic -26.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ -2.000e- +1.000I- +1.000H2O = IO- + log_k -44.00 #96FAL/REA + -analytic -44.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-8.000H+ -8.000e- +1.000I- +4.000H2O = IO4- + log_k -164.98 + delta_h +1048.639 #kJ/mol +# Enthalpy of formation: -151.461 kJ/mol 92JOH/OEL + -analytic 18.73367E+0 00.00000E+0 -54.77423E+3 00.00000E+0 00.00000E+0 + ++1.000K+ +1.000Edta-4 = K(Edta)-3 + log_k +1.80 #05HUM/AND + -analytic 18.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000K+ +1.000H+ +1.000Nta-3 = K(HNta)- + log_k +10.30 #95AKR/BOU + -analytic 10.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000K+ -1.000H+ +1.000H2(PO4)- = K(HPO4)- + log_k -6.40 #97MAR/SMI + delta_h +31.589 #kJ/mol 97MAR/SMI +# Enthalpy of formation: -1523.151 kJ/mol + -analytic -86.58448E-2 00.00000E+0 -16.50008E+2 00.00000E+0 00.00000E+0 + ++1.000K+ +1.000IO3- = K(IO3) + log_k +0.02 #estimation NEA87 08/2/95 + -analytic 20.00000E-3 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000K+ +1.000Nta-3 = K(Nta)-2 + log_k +1.30 #95AKR/BOU + -analytic 13.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000K+ +1.000Pyrophos-4 = K(Pyrophos)-3 + log_k +2.10 #76MAR/SMI + delta_h +7.113 #kJ/mol 76MAR/SMI + -analytic 33.46144E-1 00.00000E+0 -37.15379E+1 00.00000E+0 00.00000E+0 + ++1.000K+ +1.000I- = KI + log_k -1.57 + delta_h +9.011 #kJ/mol +# Enthalpy of formation: -299.909 kJ/mol 92JOH/OEL + -analytic 86.59435E-4 00.00000E+0 -47.06773E+1 00.00000E+0 00.00000E+0 + ++1.000K+ -2.000H+ +1.000H2(PO4)- = KPO4-2 + log_k -18.26 #97MAR/SMI + -analytic -18.26000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000Cit-3 = Mg(Cit)- + log_k +4.81 #05HUM/AND + -analytic 48.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000CO3-2 = Mg(CO3) + log_k +2.98 #97SVE/SHO + delta_h +8.810 #kJ/mol +# Enthalpy of formation: -1133.420 kJ/mol + -analytic 45.23446E-1 00.00000E+0 -46.01783E+1 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000Edta-4 = Mg(Edta)-2 + log_k +10.90 #05HUM/AND + delta_h +19.800 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2152.000 kJ/mol + -analytic 14.36881E+0 00.00000E+0 -10.34226E+2 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +2.000H+ +1.000Cit-3 = Mg(H2Cit)+ + log_k +12.45 #05HUM/AND + -analytic 12.45000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000H2(PO4)- = Mg(H2PO4)+ + log_k +1.17 #81TUR/WHI + delta_h +13.514 #kJ/mol 96BOU1 +# Enthalpy of formation: -1756.086 kJ/mol + -analytic 35.37551E-1 00.00000E+0 -70.58854E+1 00.00000E+0 00.00000E+0 + ++1.000Mg+2 -1.000H+ +1.000H4(SiO4) = Mg(H3SiO4)+ + log_k -8.58 #97SVE/SHO + delta_h +27.114 #kJ/mol +# Enthalpy of formation: -1901.080 kJ/mol + -analytic -38.29831E-1 00.00000E+0 -14.16263E+2 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000H+ +1.000Cit-3 = Mg(HCit) + log_k +8.96 #05HUM/AND + -analytic 89.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000H+ +1.000CO3-2 = Mg(HCO3)+ + log_k +11.37 #95SHO/KOR + delta_h -12.888 #kJ/mol +# Enthalpy of formation: -1155.118 kJ/mol + -analytic 91.12119E-1 00.00000E+0 67.31871E+1 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000H+ +1.000Edta-4 = Mg(HEdta)- + log_k +15.40 #05HUM/AND + -analytic 15.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000HGlu- = Mg(HGlu)+ + log_k +0.81 #19KUT/DUD + -analytic 81.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000HIsa- = Mg(HIsa)+ + log_k +0.81 #Analogy with Mg(HGlu)+ + -analytic 81.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000H+ +1.000Malonate-2 = Mg(HMalonate)+ + log_k +7.05 #13GRI/CAM + -analytic 70.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 -1.000H+ +1.000H2(PO4)- = Mg(HPO4) + log_k -4.30 #76SMI/MAR + delta_h +16.152 #kJ/mol 76SMI/MAR +# Enthalpy of formation: -1753.448 kJ/mol + -analytic -14.70291E-1 00.00000E+0 -84.36777E+1 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000H+ +1.000Succinat-2 = Mg(HSuccinat)+ + log_k +6.72 #13GRI/CAM + -analytic 67.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000IO3- = Mg(IO3)+ + log_k +0.70 #estimation NEA87 08/2/95 ; + -analytic 70.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000Malonate-2 = Mg(Malonate) + log_k +2.86 #76KLA/OST + -analytic 28.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000NH3 = Mg(NH3)+2 + log_k +0.10 + delta_h +0.022 #kJ/mol +# Enthalpy of formation: -548.148 kJ/mol 03-91 MINTEQL-PSI + -analytic 10.38542E-2 00.00000E+0 -11.49140E-1 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +2.000NH3 = Mg(NH3)2+2 + log_k +0.00 + delta_h +0.044 #kJ/mol +# Enthalpy of formation: -629.296 kJ/mol 03-91 MINTEQL-PSI + -analytic 77.08469E-4 00.00000E+0 -22.98280E-1 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +3.000NH3 = Mg(NH3)3+2 + log_k -0.30 + delta_h +0.066 #kJ/mol +# Enthalpy of formation: -710.444 kJ/mol 03-91 MINTEQL-PSI + -analytic -28.84373E-2 00.00000E+0 -34.47420E-1 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +4.000NH3 = Mg(NH3)4+2 + log_k -1.00 + delta_h +0.088 #kJ/mol +# Enthalpy of formation: -791.592 kJ/mol 03-91 MINTEQL-PSI + -analytic -98.45831E-2 00.00000E+0 -45.96560E-1 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000Nta-3 = Mg(Nta)- + log_k +6.79 #95AKR/BOU + -analytic 67.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 -1.000H+ +1.000HGlu- +1.000H2O = Mg(OH)(HGlu) + log_k -9.10 #19KUT/DUD + -analytic -91.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 -1.000H+ +1.000HIsa- +1.000H2O = Mg(OH)(HIsa) + log_k -9.10 #Analogy with Mg(OH)(HGlu) + -analytic -91.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 -1.000H+ +1.000H2O = Mg(OH)+ + log_k -11.68 #97SHO/SAS2; Uncertainty to include available data. + delta_h +62.834 #kJ/mol +# Enthalpy of formation: -689.995 kJ/mol + -analytic -67.19557E-2 00.00000E+0 -32.82048E+2 00.00000E+0 00.00000E+0 + ++1.000Mg+2 -2.000H+ +1.000HGlu- +2.000H2O = Mg(OH)2(HGlu)- + log_k -20.44 #19KUT/DUD + -analytic -20.44000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 -2.000H+ +1.000HIsa- +2.000H2O = Mg(OH)2(HIsa)- + log_k -20.44 #Analogy with Mg(OH)2(HGlu)- + -analytic -20.44000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000Ox-2 = Mg(Ox) + log_k +3.56 #05HUM/AND + -analytic 35.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +2.000Ox-2 = Mg(Ox)2-2 + log_k +5.17 #05HUM/AND + -analytic 51.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 -2.000H+ +1.000H2(PO4)- = Mg(PO4)- + log_k -14.71 #81TUR/WHI + delta_h +31.170 #kJ/mol 96BOU1 +# Enthalpy of formation: -1738.430 kJ/mol + -analytic -92.49250E-1 00.00000E+0 -16.28122E+2 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000Pyrophos-4 = Mg(Pyrophos)-2 + log_k +7.20 #76SMI/MAR + delta_h +12.540 #kJ/mol + -analytic 93.96914E-1 00.00000E+0 -65.50098E+1 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000S2O3-2 = Mg(S2O3) + log_k +1.82 #76SMI/MAR + -analytic 18.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000SeO4-2 = Mg(SeO4) + log_k +2.20 #05OLI/NOL + delta_h -6.614 #kJ/mol +# Enthalpy of formation: -1077.114 kJ/mol + -analytic 10.41277E-1 00.00000E+0 34.54733E+1 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000SO4-2 = Mg(SO4) + log_k +2.23 #76SMI/MAR + delta_h +5.858 #kJ/mol 76SMI/MAR +# Enthalpy of formation: -1370.482 kJ/mol + -analytic 32.56278E-1 00.00000E+0 -30.59847E+1 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000Succinat-2 = Mg(Succinat) + log_k +2.27 #13GRI/CAM + -analytic 22.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Mg+2 +1.000UO2+2 +3.000CO3-2 = Mg2UO2(CO3)3 + log_k +27.10 #20GRE/GAO + -analytic 27.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++4.000Mg+2 -4.000H+ +4.000H2O = Mg4(OH)4+4 + log_k -39.75 #76BAE/MES + delta_h +229.186 #kJ/mol +# Enthalpy of formation: -2782.132 kJ/mol + -analytic 40.16637E-2 00.00000E+0 -11.97122E+3 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000B(OH)4- = MgB(OH)4+ + log_k +1.60 #97CRO + -analytic 16.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000Br- = MgBr+ + log_k -0.14 #88CHA/NEW + -analytic -14.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000Cl- = MgCl+ + log_k +0.35 #96BOU1 + delta_h -1.728 #kJ/mol +# Enthalpy of formation: -635.808 kJ/mol + -analytic 47.26740E-3 00.00000E+0 90.25973E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000F- = MgF+ + log_k +1.80 #96BOU + delta_h +13.389 #kJ/mol 96BOU +# Enthalpy of formation: -788.961 kJ/mol + -analytic 41.45652E-1 00.00000E+0 -69.93562E+1 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000I- = MgI+ + log_k +0.18 #92JOH/OEL + -analytic 18.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +2.000I- = MgI2 + log_k +0.03 #92JOH/OEL + -analytic 30.00000E-3 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mg+2 +1.000UO2+2 +3.000CO3-2 = MgUO2(CO3)3-2 + log_k +26.20 #20GRE/GAO + delta_h -50.900 #kJ/mol 21SHA/REI +# Enthalpy of formation: -3562.590 kJ/mol + -analytic 17.28270E+0 00.00000E+0 26.58692E+2 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +1.000CO3-2 = Mn(CO3) + log_k +6.50 #96FAL/REA + -analytic 65.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +1.000H+ +1.000CO3-2 = Mn(HCO3)+ + log_k +11.61 #95CHI + -analytic 11.61000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 -1.000H+ +1.000H2(PO4)- = Mn(HPO4) + log_k -3.26 #96FAL/REA + -analytic -32.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 -2.000H+ +2.000H2(PO4)- = Mn(HPO4)2-2 + log_k -9.12 #96FAL/REA + -analytic -91.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +1.000IO3- = Mn(IO3)+ + log_k +0.84 #estimation NEA87 08/2/95 + -analytic 84.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +2.000IO3- = Mn(IO3)2 + log_k +0.13 #estimation NEA87 08/2/95 + -analytic 13.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +1.000NH3 = Mn(NH3)+2 + log_k +0.70 #88CHA/NEW + -analytic 70.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +2.000NH3 = Mn(NH3)2+2 + log_k +1.20 #88CHA/NEW + -analytic 12.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +1.000NO3- = Mn(NO3)+ + log_k +0.16 #96FAL/REA + -analytic 16.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +2.000NO3- = Mn(NO3)2 + log_k +0.50 #96FAL/REA + -analytic 50.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 -1.000H+ +1.000H2O = Mn(OH)+ + log_k -10.59 #95CHI + -analytic -10.59000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 -2.000H+ +2.000H2O = Mn(OH)2 + log_k -22.20 #95CHI + -analytic -22.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 -3.000H+ +3.000H2O = Mn(OH)3- + log_k -34.80 #95CHI + -analytic -34.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 -4.000H+ +4.000H2O = Mn(OH)4-2 + log_k -48.30 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/91PEA/BER 11891 EN ; Nagra TR 91-18 (mai 1992, Hatches 3.0) (provient de la base 0391 MINEQL- PSY) + -analytic -48.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +1.000Pyrophos-4 = Mn(Pyrophos)-2 + log_k +6.00 #88CHA/NEW + -analytic 60.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +1.000S2O3-2 = Mn(S2O3) + log_k +1.90 #88CHA/NEW + -analytic 19.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +1.000SeO4-2 = Mn(SeO4) + log_k +2.43 #05OLI/NOL + delta_h -1.560 #kJ/mol +# Enthalpy of formation: -825.861 kJ/mol + -analytic 21.56700E-1 00.00000E+0 81.48448E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +1.000SO4-2 = Mn(SO4) + log_k +2.25 #95CHI + delta_h +14.100 #kJ/mol 95CHI +# Enthalpy of formation: -1116.040 kJ/mol + -analytic 47.20214E-1 00.00000E+0 -73.64943E+1 00.00000E+0 00.00000E+0 + ++1.000Mn+2 -1.000e- = Mn+3 + log_k -25.51 #96FAL/REA + -analytic -25.51000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Mn+2 -1.000H+ +1.000H2O = Mn2(OH)+3 + log_k -10.10 #96FAL/REA + -analytic -10.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Mn+2 -3.000H+ +3.000H2O = Mn2(OH)3+ + log_k -24.90 #96FAL/REA + -analytic -24.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +1.000Br- = MnBr+ + log_k +0.13 #88CHA/NEW + -analytic 13.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +1.000Cl- = MnCl+ + log_k +0.27 + delta_h +18.516 #kJ/mol +# Enthalpy of formation: -369.364 kJ/mol 97SVE/SHO + -analytic 35.13864E-1 00.00000E+0 -96.71580E+1 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +2.000Cl- = MnCl2 + log_k +0.25 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) + -analytic 25.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +3.000Cl- = MnCl3- + log_k -0.31 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) + -analytic -31.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +1.000F- = MnF+ + log_k +0.85 #96FAL/REA + -analytic 85.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +2.000F- = MnF2 + log_k +9.04 #88CHA/NEW + -analytic 90.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +3.000F- = MnF3- + log_k +11.64 #88CHA/NEW + -analytic 11.64000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +4.000F- = MnF4-2 + log_k +13.40 #88CHA/NEW + -analytic 13.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +5.000F- = MnF5-3 + log_k +14.70 #88CHA/NEW + -analytic 14.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +6.000F- = MnF6-4 + log_k +15.50 #88CHA/NEW + -analytic 15.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 +1.000I- = MnI+ + log_k +0.23 #92JOH/OEL + -analytic 23.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Mn+2 -8.000H+ -5.000e- +4.000H2O = MnO4- + log_k -127.81 + delta_h +822.710 #kJ/mol +# Enthalpy of formation: -541.410 kJ/mol 92JOH/OEL + -analytic 16.32260E+0 00.00000E+0 -42.97314E+3 00.00000E+0 00.00000E+0 + ++1.000Mn+2 -8.000H+ -4.000e- +4.000H2O = MnO4-2 + log_k -118.43 + delta_h +711.416 #kJ/mol +# Enthalpy of formation: -652.704 kJ/mol 92JOH/OEL + -analytic 62.04733E-1 00.00000E+0 -37.15985E+3 00.00000E+0 00.00000E+0 + ++1.000Mn+2 -8.000H+ -3.000e- +4.000H2O = MnO4-3 + log_k -113.00 #96FAL/REA + -analytic -11.30000E+1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++8.000H+ +3.000e- +1.000MoO4-2 -4.000H2O = Mo+3 + log_k +21.76 #68SAS/SIL + -analytic 21.76000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++34.000H+ +19.000MoO4-2 -17.000H2O = Mo19O59-4 + log_k +196.30 #68SAS/SIL + -analytic 19.63000E+1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++5.000H+ +2.000MoO4-2 -2.000H2O = Mo2O5(OH)+ + log_k +19.00 #68SAS/SIL + -analytic 19.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++11.000H+ +7.000MoO4-2 -4.000H2O = Mo7O21(OH)3-3 + log_k +66.48 #68SAS/SIL, 64AVE/ANA + delta_h -222.589 #kJ/mol 68ARN/SZI in 76BAE/MES +# Enthalpy of formation: -6058.269 kJ/mol + -analytic 27.48408E+0 00.00000E+0 11.62663E+3 00.00000E+0 00.00000E+0 + ++10.000H+ +7.000MoO4-2 -4.000H2O = Mo7O22(OH)2-4 + log_k +62.71 #68SAS/SIL, 64AVE/ANA + delta_h -220.079 #kJ/mol 68ARN/SZI in 76BAE/MES +# Enthalpy of formation: -6055.759 kJ/mol + -analytic 24.15381E+0 00.00000E+0 11.49553E+3 00.00000E+0 00.00000E+0 + ++9.000H+ +7.000MoO4-2 -4.000H2O = Mo7O23(OH)-5 + log_k +57.21 #68SAS/SIL, 64AVE/ANA + delta_h -223.426 #kJ/mol 68ARN/SZI in 76BAE/MES +# Enthalpy of formation: -6059.106 kJ/mol + -analytic 18.06745E+0 00.00000E+0 11.67035E+3 00.00000E+0 00.00000E+0 + ++8.000H+ +7.000MoO4-2 -4.000H2O = Mo7O24-6 + log_k +50.35 #68SAS/SIL, 64AVE/ANA + delta_h -234.304 #kJ/mol 68ARN/SZI in 76BAE/MES +# Enthalpy of formation: -6069.984 kJ/mol + -analytic 93.01701E-1 00.00000E+0 12.23855E+3 00.00000E+0 00.00000E+0 + ++1.000Na+ +1.000CO3-2 = Na(CO3)- + log_k +1.27 #90NOR/PLU + delta_h +37.279 #kJ/mol 90NOR/PLU +# Enthalpy of formation: -878.291 kJ/mol + -analytic 78.01000E-1 00.00000E+0 -19.47218E+2 00.00000E+0 00.00000E+0 + ++1.000Na+ +1.000Edta-4 = Na(Edta)-3 + log_k +2.80 #05HUM/AND + delta_h -4.000 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1949.140 kJ/mol + -analytic 20.99230E-1 00.00000E+0 20.89346E+1 00.00000E+0 00.00000E+0 + ++1.000Na+ +1.000H+ +1.000CO3-2 = Na(HCO3) + log_k +10.08 #90NOR/PLU + delta_h -26.127 #kJ/mol +# Enthalpy of formation: -941.697 kJ/mol + -analytic 55.02746E-1 00.00000E+0 13.64708E+2 00.00000E+0 00.00000E+0 + ++1.000Na+ +1.000H+ +1.000Nta-3 = Na(HNta)- + log_k +10.32 #95AKR/BOU + -analytic 10.32000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Na+ -1.000H+ +1.000H2(PO4)- = Na(HPO4)- + log_k -6.34 #97MAR/SMI + delta_h +34.936 #kJ/mol 97MAR/SMI +# Enthalpy of formation: -1508.004 kJ/mol + -analytic -21.94755E-2 00.00000E+0 -18.24834E+2 00.00000E+0 00.00000E+0 + ++1.000Na+ +1.000IO3- = Na(IO3) + log_k +0.06 #estimation NEA87 08/2/95 + -analytic 60.00000E-3 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Na+ +1.000Nta-3 = Na(Nta)-2 + log_k +1.88 #95AKR/BOU + -analytic 18.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Na+ +1.000S2O3-2 = Na(S2O3)- + log_k +0.61 + delta_h +4.656 #kJ/mol +# Enthalpy of formation: -887.970 kJ/mol 82WAG/EVA + -analytic 14.25696E-1 00.00000E+0 -24.31998E+1 00.00000E+0 00.00000E+0 + ++2.000Na+ +1.000Pyrophos-4 = Na2(Pyrophos)-2 + log_k +2.29 #76SMI/MAR + delta_h +5.858 #kJ/mol 76SMI/MAR + -analytic 33.16278E-1 00.00000E+0 -30.59847E+1 00.00000E+0 00.00000E+0 + ++1.000Na+ +1.000Al+3 -4.000H+ +4.000H2O = NaAl(OH)4 + log_k -23.63 + delta_h +190.348 #kJ/mol +# Enthalpy of formation: -1731.712 kJ/mol 95POK/HEL + -analytic 97.17538E-1 00.00000E+0 -99.42568E+2 00.00000E+0 00.00000E+0 + ++1.000Na+ +1.000B(OH)4- = NaB(OH)4 + log_k -0.10 + delta_h +1.226 #kJ/mol +# Enthalpy of formation: -1584.230 kJ/mol + -analytic 11.47860E-2 00.00000E+0 -64.03844E+0 00.00000E+0 00.00000E+0 + ++1.000Na+ +1.000F- = NaF + log_k -0.45 #96BOU + delta_h -12.552 #kJ/mol 96BOU +# Enthalpy of formation: -588.242 kJ/mol + -analytic -26.49016E-1 00.00000E+0 65.56366E+1 00.00000E+0 00.00000E+0 + ++1.000Na+ +1.000H2(PO4)- = NaH2PO4 + log_k +0.41 #97MAR/SMI + -analytic 41.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Na+ +1.000I- = NaI + log_k -1.52 + delta_h +7.252 #kJ/mol +# Enthalpy of formation: -289.868 kJ/mol 92JOH/OEL + -analytic -24.95041E-2 00.00000E+0 -37.87983E+1 00.00000E+0 00.00000E+0 + ++1.000Na+ -2.000H+ +1.000H2(PO4)- = NaPO4-2 + log_k -18.07 #97MAR/SMI + -analytic -18.07000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000H+ +1.000Nb(OH)6- -3.000H2O = Nb(OH)3+2 + log_k +7.50 #97PEI/NGU + delta_h -10.230 #kJ/mol 97PEI/NGU +# Enthalpy of formation: -1078.398 kJ/mol + -analytic 57.07781E-1 00.00000E+0 53.43501E+1 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000Nb(OH)6- -2.000H2O = Nb(OH)4+ + log_k +6.64 #97PEI/NGU + delta_h -35.350 #kJ/mol 97PEI/NGU +# Enthalpy of formation: -1389.348 kJ/mol + -analytic 44.69458E-2 00.00000E+0 18.46459E+2 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Nb(OH)6- -1.000H2O = Nb(OH)5 + log_k +5.08 #97PEI/NGU + delta_h -13.390 #kJ/mol 97PEI/NGU +# Enthalpy of formation: -1653.218 kJ/mol + -analytic 27.34173E-1 00.00000E+0 69.94084E+1 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Nb(OH)6- +1.000H2O = Nb(OH)7-2 + log_k -8.88 #97PEI/NGU + delta_h +10.170 #kJ/mol 97PEI/NGU +# Enthalpy of formation: -2201.318 kJ/mol + -analytic -70.98292E-1 00.00000E+0 -53.12161E+1 00.00000E+0 00.00000E+0 + ++5.000H+ +1.000Nb(OH)6- +1.000Cit-3 -4.000H2O = NbO2(H3Cit)+ + log_k +25.64 #95AKR/BOU + -analytic 25.64000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000H+ +1.000Nb(OH)6- +1.000Ox-2 -4.000H2O = NbO2(HOx) + log_k +13.70 #95AKR/BOU + -analytic 13.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++4.000H+ +1.000Nb(OH)6- +2.000Ox-2 -4.000H2O = NbO2(HOx)2- + log_k +20.96 #95AKR/BOU + -analytic 20.96000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000Nb(OH)6- +1.000Ox-2 -4.000H2O = NbO2(Ox)- + log_k +10.94 #95AKR/BOU + -analytic 10.94000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000NH3 = NH4+ + log_k +9.24 + delta_h -52.090 #kJ/mol +# Enthalpy of formation: -133.260 kJ/mol 92GRE/FUG + -analytic 11.42237E-2 00.00000E+0 27.20850E+2 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000Acetate- = Ni(Acetate)+ + log_k +1.34 #11RIC/GRI + delta_h -8.761 #kJ/mol +# Enthalpy of formation: -549.783 kJ/mol + -analytic -19.48613E-2 00.00000E+0 45.76189E+1 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000Cit-3 = Ni(Cit)- + log_k +6.76 #05HUM/AND + -analytic 67.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +2.000Cit-3 = Ni(Cit)2-4 + log_k +8.50 #05HUM/AND + -analytic 85.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000CO3-2 = Ni(CO3) + log_k +4.20 #03BAE/BRA in 05GAM/BUG + delta_h +3.546 #kJ/mol +# Enthalpy of formation: -726.696 kJ/mol + -analytic 48.21233E-1 00.00000E+0 -18.52205E+1 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +2.000CO3-2 = Ni(CO3)2-2 + log_k +6.20 #03BAE/BRA; Uncertainty 03HUM/CUR + -analytic 62.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000Edta-4 = Ni(Edta)-2 + log_k +20.54 #05HUM/AND + delta_h -26.100 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1785.912 kJ/mol + -analytic 15.96748E+0 00.00000E+0 13.63298E+2 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +2.000H+ +1.000Cit-3 = Ni(H2Cit)+ + log_k +13.19 #05HUM/AND + -analytic 13.19000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000H+ +1.000Cit-3 = Ni(HCit) + log_k +10.52 #05HUM/BER + -analytic 10.52000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000H+ +1.000CO3-2 = Ni(HCO3)+ + log_k +11.73 #03BAE/BRA; Uncertainty 03HUM/CUR + -analytic 11.73000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000H+ +1.000Edta-4 = Ni(HEdta)- + log_k +24.20 #05HUM/AND + -analytic 24.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 -1.000H+ +1.000H2(PO4)- = Ni(HPO4) + log_k -4.16 #05GAM/BUG + -analytic -41.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +2.000HS- = Ni(HS)2 + log_k +11.10 #02HUM/BER + -analytic 11.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000Malonate-2 = Ni(Malonate) + log_k +4.39 #13GRI/CAM + -analytic 43.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +2.000Malonate-2 = Ni(Malonate)2-2 + log_k +8.15 #98KHA/RAD + -analytic 81.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000NH3 = Ni(NH3)+2 + log_k +2.61 #70LET + -analytic 26.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +2.000NH3 = Ni(NH3)2+2 + log_k +4.76 #70LET + -analytic 47.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +3.000NH3 = Ni(NH3)3+2 + log_k +6.79 #70LET + -analytic 67.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +4.000NH3 = Ni(NH3)4+2 + log_k +8.34 #70LET + -analytic 83.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000NO3- = Ni(NO3)+ + log_k +0.50 #05GAM/BUG + -analytic 50.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +2.000NO3- = Ni(NO3)2 + log_k -0.60 #76SMI/MAR in 89BAE/McK; Uncertainty is by analogy with Ni(NO3)+ and is preliminary. + -analytic -60.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000Nta-3 = Ni(Nta)- + log_k +12.75 #95AKR/BOU + -analytic 12.75000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +2.000Nta-3 = Ni(Nta)2-4 + log_k +16.95 #95AKR/BOU + -analytic 16.95000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 -1.000H+ +1.000Edta-4 +1.000H2O = Ni(OH)(Edta)-3 + log_k +6.50 #04FEL/QAF + -analytic 65.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 -1.000H+ +1.000HIsa- +1.000H2O = Ni(OH)(HIsa) + log_k -6.50 #18GON/GAO + -analytic -65.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 -1.000H+ +1.000Nta-3 +1.000H2O = Ni(OH)(Nta)-2 + log_k +1.47 #95AKR/BOU + -analytic 14.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 -1.000H+ +1.000H2O = Ni(OH)+ + log_k -9.54 #05GAM/BUG + delta_h +53.800 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -287.042 kJ/mol + -analytic -11.46446E-2 00.00000E+0 -28.10170E+2 00.00000E+0 00.00000E+0 + ++1.000Ni+2 -2.000H+ +2.000H2O = Ni(OH)2 + log_k -18.00 #49GAY/GAR reevaluated in 05GAM/BUG + -analytic -18.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 -2.000H+ +1.000HIsa- +2.000H2O = Ni(OH)2(HIsa)- + log_k -17.60 #18GON/GAO + -analytic -17.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 -3.000H+ +1.000H2(PO4)- +2.000H2O = Ni(OH)2(HPO4)-2 + log_k -23.24 #95LEM + -analytic -23.24000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 -3.000H+ +1.000HIsa- +3.000H2O = Ni(OH)3(HIsa)-2 + log_k -31.00 #18GON/GAO + -analytic -31.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000Ox-2 = Ni(Ox) + log_k +5.19 #05HUM/AND + delta_h +0.000 #kJ/mol 05HUM/AND +# Enthalpy of formation: -885.672 kJ/mol + -analytic 51.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +2.000Ox-2 = Ni(Ox)2-2 + log_k +7.64 #05HUM/AND + delta_h -7.800 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1724.132 kJ/mol + -analytic 62.73499E-1 00.00000E+0 40.74224E+1 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000Phthalat-2 = Ni(Phthalat) + log_k +3.00 #11GRI/COL2 + -analytic 30.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000Pyrophos-4 = Ni(Pyrophos)-2 + log_k +8.73 #05GAM/BUG + -analytic 87.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000S2O3-2 = Ni(S2O3) + log_k +2.06 #51DEU/HEI in 64SIL/MAR + -analytic 20.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000SeO4-2 = Ni(SeO4) + log_k +2.67 #05OLI/NOL + delta_h -0.680 #kJ/mol +# Enthalpy of formation: -659.192 kJ/mol + -analytic 25.50869E-1 00.00000E+0 35.51887E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000SO4-2 = Ni(SO4) + log_k +2.35 #05GAM/BUG + delta_h +5.660 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -958.692 kJ/mol + -analytic 33.41589E-1 00.00000E+0 -29.56424E+1 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +2.000SO4-2 = Ni(SO4)2-2 + log_k +3.01 #89BAE/McK + -analytic 30.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Ni+2 -1.000H+ +1.000H2O = Ni2(OH)+3 + log_k -10.60 #05GAM/BUG + delta_h +45.900 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -349.954 kJ/mol + -analytic -25.58665E-1 00.00000E+0 -23.97524E+2 00.00000E+0 00.00000E+0 + ++4.000Ni+2 -4.000H+ +4.000H2O = Ni4(OH)4+4 + log_k -27.52 #05GAM/BUG + delta_h +190.000 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -1173.368 kJ/mol + -analytic 57.66571E-1 00.00000E+0 -99.24391E+2 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000Cl- = NiCl+ + log_k +0.08 #05GAM/BUG + -analytic 80.00000E-3 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000F- = NiF+ + log_k +1.43 #05GAM/BUG + delta_h +9.500 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -380.862 kJ/mol + -analytic 30.94329E-1 00.00000E+0 -49.62196E+1 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000H+ +1.000AsO4-3 = NiHAsO4 + log_k +14.50 + -analytic 14.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000H+ +1.000Pyrophos-4 = NiHPyrophos- + log_k +14.54 #05GAM/BUG + -analytic 14.54000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Ni+2 +1.000HS- = NiHS+ + log_k +5.50 #02HUM/BER + -analytic 55.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 +1.000Acetate- = Np(Acetate)+3 + log_k +5.83 #12GRI/GAR2 + -analytic 58.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 +2.000Acetate- = Np(Acetate)2+2 + log_k +10.00 #11RIC/GRI + -analytic 10.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+3 +1.000CO3-2 = Np(CO3)+ + log_k +7.67 #Estimated by correlation with An(III) in function of ionic radii + delta_h +19.064 #kJ/mol +# Enthalpy of formation: -1183.350 kJ/mol + -analytic 11.00987E+0 00.00000E+0 -99.57821E+1 00.00000E+0 00.00000E+0 + ++1.000Np+3 +2.000CO3-2 = Np(CO3)2- + log_k +12.60 #Estimated by correlation with An(III) in function of ionic radii + -analytic 12.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+3 +3.000CO3-2 = Np(CO3)3-3 + log_k +15.66 #01LEM/FUG + -analytic 15.66000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 +4.000CO3-2 = Np(CO3)4-4 + log_k +36.68 #01LEM/FUG + -analytic 36.68000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 +5.000CO3-2 = Np(CO3)5-6 + log_k +35.61 #01LEM/FUG + delta_h -1.595 #kJ/mol +# Enthalpy of formation: -3933.768 kJ/mol + -analytic 35.33057E+0 00.00000E+0 83.31265E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 +1.000Edta-4 = Np(Edta) + log_k +31.20 #05HUM/AND + -analytic 31.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+3 +1.000Edta-4 = Np(Edta)- + log_k +19.90 #Recommended in 05HUM/AND + -analytic 19.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+3 +1.000H2(PO4)- = Np(H2PO4)+2 + log_k +2.39 #Estimated by correlation with An(III) in function of ionic radii. + -analytic 23.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+3 +1.000H+ +1.000Edta-4 = Np(HEdta) + log_k +22.02 #Analogy with Pu(HEdta) + -analytic 22.02000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+3 -1.000H+ +1.000H2(PO4)- = Np(HPO4)+ + log_k -1.88 #Estimated by correlation with An(III) in function of ionic radii + -analytic -18.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+3 -2.000H+ +2.000H2(PO4)- = Np(HPO4)2- + log_k -5.61 #Estimated by correlation with An(III) in function of ionic radii + -analytic -56.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 +1.000NO3- = Np(NO3)+3 + log_k +1.90 #01LEM/FUG + -analytic 19.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+3 +1.000Nta-3 = Np(Nta) + log_k +13.00 #95AKR/BOU + -analytic 13.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 +1.000Nta-3 = Np(Nta)+ + log_k +20.70 #95AKR/BOU + -analytic 20.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+3 -1.000H+ +1.000H2O = Np(OH)+2 + log_k -6.80 #01LEM/FUG + delta_h +36.997 #kJ/mol +# Enthalpy of formation: -776.017 kJ/mol + -analytic -31.84038E-2 00.00000E+0 -19.32488E+2 00.00000E+0 00.00000E+0 + ++1.000Np+4 -1.000H+ +1.000H2O = Np(OH)+3 + log_k +0.55 #03GUI/FAN + delta_h +26.743 #kJ/mol +# Enthalpy of formation: -815.109 kJ/mol + -analytic 52.35172E-1 00.00000E+0 -13.96884E+2 00.00000E+0 00.00000E+0 + ++1.000Np+4 -2.000H+ +2.000CO3-2 +2.000H2O = Np(OH)2(CO3)2-2 + log_k +16.92 #99RAI/HES2 + -analytic 16.92000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+3 -2.000H+ +2.000H2O = Np(OH)2+ + log_k -17.00 #80ALL/KIP + delta_h +103.262 #kJ/mol +# Enthalpy of formation: -995.582 kJ/mol + -analytic 10.90726E-1 00.00000E+0 -53.93750E+2 00.00000E+0 00.00000E+0 + ++1.000Np+4 -2.000H+ +2.000H2O = Np(OH)2+2 + log_k +0.35 #03GUI/FAN + delta_h +44.742 #kJ/mol +# Enthalpy of formation: -1082.939 kJ/mol + -analytic 81.88462E-1 00.00000E+0 -23.37037E+2 00.00000E+0 00.00000E+0 + ++1.000Np+4 -2.000H+ +1.000Edta-4 +2.000H2O = Np(OH)2Edta-2 + log_k +18.24 #23ROD/COL + -analytic 18.24000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+3 -3.000H+ +3.000H2O = Np(OH)3 + log_k -27.00 #80ALL/KIP + delta_h +159.163 #kJ/mol +# Enthalpy of formation: -1225.510 kJ/mol + -analytic 88.41606E-2 00.00000E+0 -83.13662E+2 00.00000E+0 00.00000E+0 + ++1.000Np+4 -3.000H+ +3.000H2O = Np(OH)3+ + log_k -2.80 #01NEC/KIM, 99NEC + delta_h +70.765 #kJ/mol +# Enthalpy of formation: -1342.745 kJ/mol + -analytic 95.97496E-1 00.00000E+0 -36.96313E+2 00.00000E+0 00.00000E+0 + ++1.000Np+4 -3.000H+ +1.000Edta-4 +3.000H2O = Np(OH)3Edta-3 + log_k +8.62 #23ROD/COL + -analytic 86.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 -4.000H+ +4.000H2O = Np(OH)4 + log_k -8.30 #20GRE/GAO + delta_h +100.980 #kJ/mol +# Enthalpy of formation: -1598.360 kJ/mol + -analytic 93.90937E-1 00.00000E+0 -52.74553E+2 00.00000E+0 00.00000E+0 + ++1.000Np+4 -4.000H+ +1.000HGlu- +4.000H2O = Np(OH)4(HGlu)- + log_k -5.89 #Analogy with An(IV)-ISA + -analytic -58.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 -4.000H+ +2.000HGlu- +4.000H2O = Np(OH)4(HGlu)2-2 + log_k -3.69 #Analogy with An(IV)-ISA + -analytic -36.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 -4.000H+ +1.000HIsa- +4.000H2O = Np(OH)4(HIsa)- + log_k -5.89 #23ROD/COL + -analytic -58.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 -4.000H+ +2.000HIsa- +4.000H2O = Np(OH)4(HIsa)2-2 + log_k -3.69 #23ROD/COL + -analytic -36.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 -1.000H+ +1.000Edta-4 +1.000H2O = Np(OH)Edta- + log_k +23.73 #23ROD/COL + -analytic 23.73000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 +1.000Ox-2 = Np(Ox)+2 + log_k +11.16 #12GRI/GAR2 + -analytic 11.16000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 +2.000Ox-2 = Np(Ox)2 + log_k +19.94 #12GRI/GAR2 + -analytic 19.94000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 +3.000Ox-2 = Np(Ox)3-2 + log_k +25.19 #12GRI/GAR2 + -analytic 25.19000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+3 -2.000H+ +1.000H2(PO4)- = Np(PO4) + log_k -8.07 #Estimated by correlation with An(III) in function of ionic radii + -analytic -80.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+3 -4.000H+ +2.000H2(PO4)- = Np(PO4)2-3 + log_k -20.03 #Estimated by correlation with An(III) in function of ionic radii + -analytic -20.03000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+3 +1.000SO4-2 = Np(SO4)+ + log_k +3.72 #Estimated by correlation with An(III) in function of ionic radii + delta_h +21.188 #kJ/mol +# Enthalpy of formation: -1415.336 kJ/mol + -analytic 74.31978E-1 00.00000E+0 -11.06726E+2 00.00000E+0 00.00000E+0 + ++1.000Np+4 +1.000SO4-2 = Np(SO4)+2 + log_k +6.85 #01LEM/FUG + delta_h +29.840 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -1435.522 kJ/mol + -analytic 12.07774E+0 00.00000E+0 -15.58652E+2 00.00000E+0 00.00000E+0 + ++1.000Np+4 +2.000SO4-2 = Np(SO4)2 + log_k +11.05 #01LEM/FUG + delta_h +55.380 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -2319.322 kJ/mol + -analytic 20.75216E+0 00.00000E+0 -28.92699E+2 00.00000E+0 00.00000E+0 + ++1.000Np+3 +2.000SO4-2 = Np(SO4)2- + log_k +5.16 #Estimated by correlation with An(III) in function of ionic radii + -analytic 51.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 +1.000Br- = NpBr+3 + log_k +1.55 #Estimated by correlation with An(IV) in function of ionic radii + -analytic 15.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 +1.000Cl- = NpCl+3 + log_k +1.50 #01LEM/FUG + delta_h +24.173 #kJ/mol +# Enthalpy of formation: -698.928 kJ/mol + -analytic 57.34928E-1 00.00000E+0 -12.62644E+2 00.00000E+0 00.00000E+0 + ++1.000Np+4 +1.000F- = NpF+3 + log_k +8.96 #01LEM/FUG + delta_h +1.500 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -889.872 kJ/mol + -analytic 92.22789E-1 00.00000E+0 -78.35046E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 +2.000F- = NpF2+2 + log_k +15.70 #01LEM/FUG + delta_h +15.928 #kJ/mol +# Enthalpy of formation: -1210.793 kJ/mol + -analytic 18.49047E+0 00.00000E+0 -83.19774E+1 00.00000E+0 00.00000E+0 + ++1.000Np+4 +3.000F- = NpF3+ + log_k +20.05 #01LEM/FUG + -analytic 20.05000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 +4.000F- = NpF4 + log_k +25.95 #01LEM/FUG + -analytic 25.95000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Np+4 +1.000I- = NpI+3 + log_k +1.50 #01LEM/FUG + -analytic 15.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +1.000Acetate- = NpO2(Acetate) + log_k +1.32 #11RIC/GRI + -analytic 13.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +2.000Acetate- = NpO2(Acetate)2- + log_k +3.42 #09TAK/TAK + -analytic 34.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +3.000Acetate- = NpO2(Acetate)3-2 + log_k +3.57 #09TAK/TAK + -analytic 35.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +1.000Cit-3 = NpO2(Cit)-2 + log_k +3.68 #05HUM/AND + -analytic 36.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +1.000CO3-2 = NpO2(CO3)- + log_k +4.96 #01LEM/FUG + delta_h +59.912 #kJ/mol +# Enthalpy of formation: -1593.499 kJ/mol + -analytic 15.45613E+0 00.00000E+0 -31.29422E+2 00.00000E+0 00.00000E+0 + ++1.000NpO2+2 -2.000H+ +1.000CO3-2 +2.000H2O = NpO2(CO3)(OH)2-2 + log_k -7.69 #99CHO/BRO + -analytic -76.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+2 +2.000CO3-2 = NpO2(CO3)2-2 + log_k +15.00 #Upper limit value in 20GRE/GAO + -analytic 15.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +2.000CO3-2 = NpO2(CO3)2-3 + log_k +6.53 #01LEM/FUG + delta_h +39.024 #kJ/mol +# Enthalpy of formation: -2289.617 kJ/mol + -analytic 13.36671E+0 00.00000E+0 -20.38365E+2 00.00000E+0 00.00000E+0 + ++1.000NpO2+ -1.000H+ +2.000CO3-2 +1.000H2O = NpO2(CO3)2OH-4 + log_k -5.31 #01LEM/FUG + -analytic -53.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+2 +3.000CO3-2 = NpO2(CO3)3-4 + log_k +19.90 #20GRE/GAO + delta_h -41.900 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -2928.323 kJ/mol + -analytic 12.55944E+0 00.00000E+0 21.88589E+2 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +3.000CO3-2 = NpO2(CO3)3-5 + log_k +5.50 + delta_h -13.249 #kJ/mol +# Enthalpy of formation: -3017.120 kJ/mol 01LEM/FUG + -analytic 31.78875E-1 00.00000E+0 69.20435E+1 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +1.000Edta-4 = NpO2(Edta)-3 + log_k +9.23 #05HUM/AND + -analytic 92.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +2.000H+ +1.000Edta-4 = NpO2(H2Edta)- + log_k +22.51 #05HUM/AND + -analytic 22.51000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +1.000H2(PO4)- = NpO2(H2PO4) + log_k +1.40 #20GRE/GAO + -analytic 14.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +1.000H+ +1.000Edta-4 = NpO2(HEdta)-2 + log_k +17.06 #05HUM/AND + -analytic 17.06000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +1.000HGlu- = NpO2(HGlu) + log_k +1.68 #06ZHA/CLA + -analytic 16.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +2.000HGlu- = NpO2(HGlu)2- + log_k +2.39 #06ZHA/CLA + -analytic 23.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +1.000H+ +1.000Nta-3 = NpO2(HNta)- + log_k +11.70 #95AKR/BOU + -analytic 11.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+2 -1.000H+ +1.000H2(PO4)- = NpO2(HPO4) + log_k -1.01 #01LEM/FUG + delta_h +92.195 #kJ/mol +# Enthalpy of formation: -2071.137 kJ/mol + -analytic 15.14187E+0 00.00000E+0 -48.15680E+2 00.00000E+0 00.00000E+0 + ++1.000NpO2+ -1.000H+ +1.000H2(PO4)- = NpO2(HPO4)- + log_k -4.26 #20GRE/GAO + delta_h -7.400 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2288.181 kJ/mol + -analytic -55.56424E-1 00.00000E+0 38.65289E+1 00.00000E+0 00.00000E+0 + ++1.000NpO2+2 -2.000H+ +2.000H2(PO4)- = NpO2(HPO4)2-2 + log_k -4.92 #01LEM/FUG + -analytic -49.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+2 +1.000NO3- = NpO2(NO3)+ + log_k +0.10 #12GRI/GAR2 in analogy to UO2(NO3)+ + -analytic 10.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +1.000Nta-3 = NpO2(Nta)-2 + log_k +7.46 #95AKR/BOU + -analytic 74.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+ -1.000H+ +1.000H2O = NpO2(OH) + log_k -11.30 #01LEM/FUG + delta_h +64.785 #kJ/mol +# Enthalpy of formation: -1199.226 kJ/mol + -analytic 49.84480E-3 00.00000E+0 -33.83956E+2 00.00000E+0 00.00000E+0 + ++1.000NpO2+2 -1.000H+ +1.000H2O = NpO2(OH)+ + log_k -5.10 #01LEM/FUG + delta_h +42.956 #kJ/mol +# Enthalpy of formation: -1103.606 kJ/mol + -analytic 24.25568E-1 00.00000E+0 -22.43748E+2 00.00000E+0 00.00000E+0 + ++1.000NpO2+2 -2.000H+ +2.000H2O = NpO2(OH)2 + log_k -12.21 #Estimated by correlation with An(VI) in funciton of ionic radii + -analytic -12.21000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+ -2.000H+ +2.000H2O = NpO2(OH)2- + log_k -23.60 #01LEM/FUG + delta_h +118.610 #kJ/mol +# Enthalpy of formation: -1431.230 kJ/mol + -analytic -28.20420E-1 00.00000E+0 -61.95432E+2 00.00000E+0 00.00000E+0 + ++1.000NpO2+2 -3.000H+ +3.000H2O = NpO2(OH)3- + log_k -21.20 #20GRE/GAO + -analytic -21.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+2 -4.000H+ +4.000H2O = NpO2(OH)4-2 + log_k -32.00 #20GRE/GAO + -analytic -32.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +1.000Ox-2 = NpO2(Ox)- + log_k +3.90 #05HUM/AND + delta_h -1.300 #kJ/mol 20MAI/TRU +# Enthalpy of formation: -1810.141 kJ/mol + -analytic 36.72250E-1 00.00000E+0 67.90373E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +2.000Ox-2 = NpO2(Ox)2-3 + log_k +5.80 #05HUM/AND + delta_h -8.700 #kJ/mol 20MAI/TRU +# Enthalpy of formation: -2648.201 kJ/mol + -analytic 42.75825E-1 00.00000E+0 45.44326E+1 00.00000E+0 00.00000E+0 + ++1.000NpO2+2 +1.000SO4-2 = NpO2(SO4) + log_k +3.28 #01LEM/FUG + delta_h +16.700 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -1753.373 kJ/mol + -analytic 62.05714E-1 00.00000E+0 -87.23018E+1 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +1.000SO4-2 = NpO2(SO4)- + log_k +1.30 #20GRE/GAO + delta_h +22.000 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1865.521 kJ/mol + -analytic 51.54235E-1 00.00000E+0 -11.49140E+2 00.00000E+0 00.00000E+0 + ++1.000NpO2+2 +2.000SO4-2 = NpO2(SO4)2-2 + log_k +4.70 #01LEM/FUG + delta_h +26.000 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -2653.413 kJ/mol + -analytic 92.55004E-1 00.00000E+0 -13.58075E+2 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +1.000Cl- = NpO2Cl + log_k -0.93 #94NEC/KIM + delta_h +25.971 #kJ/mol +# Enthalpy of formation: -1119.289 kJ/mol + -analytic 36.19924E-1 00.00000E+0 -13.56560E+2 00.00000E+0 00.00000E+0 + ++1.000NpO2+2 +1.000Cl- = NpO2Cl+ + log_k +0.40 #01LEM/FUG + delta_h +8.387 #kJ/mol +# Enthalpy of formation: -1019.426 kJ/mol + -analytic 18.69339E-1 00.00000E+0 -43.80835E+1 00.00000E+0 00.00000E+0 + ++1.000NpO2+2 +1.000CO3-2 = NpO2CO3 + log_k +9.86 #20GRE/GAO + -analytic 98.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +1.000F- = NpO2F + log_k +1.40 #20GRE/GAO + -analytic 14.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+2 +1.000F- = NpO2F+ + log_k +4.57 #01LEM/FUG + delta_h +1.400 #kJ/mol +# Enthalpy of formation: -1194.682 kJ/mol + -analytic 48.15269E-1 00.00000E+0 -73.12709E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+2 +2.000F- = NpO2F2 + log_k +7.60 #01LEM/FUG + delta_h +4.320 #kJ/mol +# Enthalpy of formation: -1527.113 kJ/mol + -analytic 83.56832E-1 00.00000E+0 -22.56493E+1 00.00000E+0 00.00000E+0 + ++1.000NpO2+ +2.000F- = NpO2F2- + log_k +1.90 #20GRE/GAO + -analytic 19.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NpO2+2 +1.000H2(PO4)- = NpO2H2PO4+ + log_k +3.32 #01LEM/FUG + -analytic 33.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000H2O = OH- + log_k -14.00 + delta_h +55.815 #kJ/mol +# Enthalpy of formation: -230.015 kJ/mol 89COX/WAG + -analytic -42.21632E-1 00.00000E+0 -29.15420E+2 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Pa+4 +1.000H2O = Pa(OH)+3 + log_k +0.84 #76BAE/MES + -analytic 84.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000Pa+4 +2.000H2O = Pa(OH)2+2 + log_k -0.02 #76BAE/MES + -analytic -20.00000E-3 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-3.000H+ +1.000Pa+4 +3.000H2O = Pa(OH)3+ + log_k -1.50 #76BAE/MES + -analytic -15.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000PaO2+ = PaO(OH)+2 + log_k +1.25 #Original data 03TRU/LEN and 04FOU/PER + delta_h -5.700 #kJ/mol 03TRU/LEN + -analytic 25.14029E-2 00.00000E+0 29.77317E+1 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000SO4-2 +1.000PaO2+ -1.000H2O = PaO(SO4)+ + log_k +5.13 #07GIA/TRU + -analytic 51.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +2.000SO4-2 +1.000PaO2+ -1.000H2O = PaO(SO4)2- + log_k +8.24 #07GIA/TRU + -analytic 82.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +3.000SO4-2 +1.000PaO2+ -1.000H2O = PaO(SO4)3-3 + log_k +9.83 #07GIA/TRU + -analytic 98.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000PaO2+ +1.000H2O = PaO2(OH) + log_k -7.00 #Original data 03TRU/LEN and 04FOU/PER + delta_h +61.000 #kJ/mol 03TRU/LEN + -analytic 36.86741E-1 00.00000E+0 -31.86252E+2 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000PaO2+ +2.000H2O = PaO2(OH)2- + log_k -16.40 #04FOU/PER + -analytic -16.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +1.000B(OH)4- = Pb(B(OH)4)+ + log_k +5.20 #80BAS + -analytic 52.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +3.000B(OH)4- = Pb(B(OH)4)3- + log_k +11.18 #80BAS + -analytic 11.18000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +1.000CO3-2 = Pb(CO3) + log_k +7.00 #06BLA/PIA + delta_h -3.015 #kJ/mol +# Enthalpy of formation: -677.326 kJ/mol + -analytic 64.71795E-1 00.00000E+0 15.74844E+1 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +2.000CO3-2 = Pb(CO3)2-2 + log_k +10.13 #99LOT/OCH; Uncertainty to include available data. + -analytic 10.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +1.000Edta-4 = Pb(Edta)-2 + log_k +18.80 #04MAR/SMI + -analytic 18.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +2.000H+ +1.000Edta-4 = Pb(H2Edta) + log_k +24.90 #04MAR/SMI + -analytic 24.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +1.000H2(PO4)- = Pb(H2PO4)+ + log_k +1.50 #74NRI + -analytic 15.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +1.000H+ +1.000Edta-4 = Pb(HEdta)- + log_k +23.00 #04MAR/SMI + -analytic 23.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +2.000HS- = Pb(HS)2 + log_k +15.01 #06BLA/PIA; Uncertainty to include available data. + delta_h -65.579 #kJ/mol +# Enthalpy of formation: -97.259 kJ/mol + -analytic 35.21052E-1 00.00000E+0 34.25430E+2 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +3.000HS- = Pb(HS)3- + log_k +16.26 #06BLA/PIA; Uncertainty to include available data. + delta_h -73.329 #kJ/mol +# Enthalpy of formation: -121.309 kJ/mol + -analytic 34.13311E-1 00.00000E+0 38.30240E+2 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +1.000NO3- = Pb(NO3)+ + log_k +1.06 #99LOT/OCH + -analytic 10.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +2.000NO3- = Pb(NO3)2 + log_k +1.48 #99LOT/OCH + delta_h -11.012 #kJ/mol +# Enthalpy of formation: -423.792 kJ/mol + -analytic -44.92196E-2 00.00000E+0 57.51968E+1 00.00000E+0 00.00000E+0 + ++1.000Pb+2 -1.000H+ +1.000H2O = Pb(OH)+ + log_k -7.51 #99LOT/OCH; Uncertainty to include available data. + delta_h +53.920 #kJ/mol +# Enthalpy of formation: -230.990 kJ/mol + -analytic 19.36379E-1 00.00000E+0 -28.16438E+2 00.00000E+0 00.00000E+0 + ++1.000Pb+2 -2.000H+ +2.000H2O = Pb(OH)2 + log_k -16.95 #99LOT/OCH; Uncertainty to include available data. + delta_h +97.824 #kJ/mol +# Enthalpy of formation: -472.915 kJ/mol + -analytic 18.80291E-2 00.00000E+0 -51.09703E+2 00.00000E+0 00.00000E+0 + ++1.000Pb+2 -3.000H+ +3.000H2O = Pb(OH)3- + log_k -27.20 #01PER/HEF + delta_h +130.485 #kJ/mol +# Enthalpy of formation: -726.085 kJ/mol + -analytic -43.40009E-1 00.00000E+0 -68.15706E+2 00.00000E+0 00.00000E+0 + ++1.000Pb+2 -4.000H+ +4.000H2O = Pb(OH)4-2 + log_k -38.90 #01PER/HEF + delta_h +197.474 #kJ/mol +# Enthalpy of formation: -944.925 kJ/mol + -analytic -43.04040E-1 00.00000E+0 -10.31479E+3 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +1.000Ox-2 = Pb(Ox) + log_k +5.85 #13XIO/KIR + -analytic 58.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +2.000Ox-2 = Pb(Ox)2-2 + log_k +8.05 #13XIO/KIR + -analytic 80.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +1.000SeO3-2 = Pb(SeO3) + log_k +5.73 #01SEB/POT2 + -analytic 57.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +1.000SO4-2 = Pb(SO4) + log_k +2.82 #99LOT/OCH; Uncertainty to include available data. + delta_h +6.861 #kJ/mol +# Enthalpy of formation: -901.559 kJ/mol + -analytic 40.21996E-1 00.00000E+0 -35.83750E+1 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +2.000SO4-2 = Pb(SO4)2-2 + log_k +3.47 #97MAR/SMI; Uncertainty to include available data. + -analytic 34.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Pb+2 -1.000H+ +1.000H2O = Pb2(OH)+3 + log_k -7.18 #99LOT/OCH; Uncertainty to include available data. + -analytic -71.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++4.000Pb+2 -4.000H+ +4.000H2O = Pb4(OH)4+4 + log_k -20.63 #99LOT/OCH; Uncertainty to include available data. + delta_h +82.038 #kJ/mol +# Enthalpy of formation: -1057.601 kJ/mol + -analytic -62.57559E-1 00.00000E+0 -42.85143E+2 00.00000E+0 00.00000E+0 + ++6.000Pb+2 -8.000H+ +8.000H2O = Pb6(OH)8+4 + log_k -42.68 #99LOT/OCH + delta_h +192.157 #kJ/mol +# Enthalpy of formation: -2088.961 kJ/mol + -analytic -90.15539E-1 00.00000E+0 -10.03706E+3 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +1.000Br- = PbBr+ + log_k +1.70 #82HÖG + delta_h +4.220 #kJ/mol +# Enthalpy of formation: -116.270 kJ/mol + -analytic 24.39312E-1 00.00000E+0 -22.04260E+1 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +2.000Br- = PbBr2 + log_k +1.90 #82HÖG + delta_h +10.979 #kJ/mol +# Enthalpy of formation: -230.920 kJ/mol + -analytic 38.23438E-1 00.00000E+0 -57.34731E+1 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +3.000Br- = PbBr3- + log_k +2.90 #82HÖG + delta_h +10.653 #kJ/mol +# Enthalpy of formation: -352.656 kJ/mol + -analytic 47.66325E-1 00.00000E+0 -55.64449E+1 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +1.000Cl- = PbCl+ + log_k +1.44 #97SVE/SHO; Uncertainty to include available data. + delta_h +4.318 #kJ/mol +# Enthalpy of formation: -161.841 kJ/mol + -analytic 21.96481E-1 00.00000E+0 -22.55448E+1 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +2.000Cl- = PbCl2 + log_k +2.00 #97SVE/SHO; Uncertainty to include available data. + delta_h +7.948 #kJ/mol +# Enthalpy of formation: -325.291 kJ/mol + -analytic 33.92430E-1 00.00000E+0 -41.51530E+1 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +3.000Cl- = PbCl3- + log_k +1.69 #97SVE/SHO; 22. Uncertainty to include available data. + delta_h +7.812 #kJ/mol +# Enthalpy of formation: -492.507 kJ/mol + -analytic 30.58604E-1 00.00000E+0 -40.80492E+1 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +4.000Cl- = PbCl4-2 + log_k +1.40 #97SVE/SHO; 22. Uncertainty to include available data. + delta_h +1.324 #kJ/mol +# Enthalpy of formation: -666.074 kJ/mol + -analytic 16.31955E-1 00.00000E+0 -69.15734E+0 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +1.000F- = PbF+ + log_k +2.27 #99LOT/OCH + delta_h -4.054 #kJ/mol +# Enthalpy of formation: -338.484 kJ/mol + -analytic 15.59770E-1 00.00000E+0 21.17552E+1 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +2.000F- = PbF2 + log_k +3.01 #99LOT/OCH + delta_h -8.879 #kJ/mol +# Enthalpy of formation: -678.659 kJ/mol + -analytic 14.54466E-1 00.00000E+0 46.37825E+1 00.00000E+0 00.00000E+0 + ++1.000Pb+2 -1.000H+ +1.000H2(PO4)- = PbHPO4 + log_k -4.11 #74NRI + -analytic -41.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +1.000I- = PbI+ + log_k +1.98 #82HÖG + delta_h +3.874 #kJ/mol +# Enthalpy of formation: -51.986 kJ/mol + -analytic 26.58696E-1 00.00000E+0 -20.23531E+1 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +2.000I- = PbI2 + log_k +3.15 #82HÖG + delta_h +7.106 #kJ/mol +# Enthalpy of formation: -105.533 kJ/mol + -analytic 43.94918E-1 00.00000E+0 -37.11722E+1 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +3.000I- = PbI3- + log_k +3.81 #82HÖG + delta_h +3.163 #kJ/mol +# Enthalpy of formation: -166.256 kJ/mol + -analytic 43.64134E-1 00.00000E+0 -16.52150E+1 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +4.000I- = PbI4-2 + log_k +3.75 #82HÖG + delta_h -15.561 #kJ/mol +# Enthalpy of formation: -241.760 kJ/mol + -analytic 10.23830E-1 00.00000E+0 81.28076E+1 00.00000E+0 00.00000E+0 + ++1.000Pb+2 +1.000Pyrophos-4 = PbPyrophos-2 + log_k +8.33 #82WAG/EVA + -analytic 83.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +1.000CO3-2 = Pd(CO3) + log_k +6.83 #87BRO/WAN + delta_h -8.843 #kJ/mol +# Enthalpy of formation: -494.184 kJ/mol + -analytic 52.80773E-1 00.00000E+0 46.19021E+1 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +2.000CO3-2 = Pd(CO3)2-2 + log_k +12.53 #87BRO/WAN + -analytic 12.53000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +1.000NH3 = Pd(NH3)+2 + log_k +9.60 #68RAS/JOR + -analytic 96.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +2.000NH3 = Pd(NH3)2+2 + log_k +18.50 #68RAS/JOR + -analytic 18.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +3.000NH3 = Pd(NH3)3+2 + log_k +26.00 #68RAS/JOR + -analytic 26.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +4.000NH3 = Pd(NH3)4+2 + log_k +32.80 #68RAS/JOR + -analytic 32.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Pd+2 +1.000H2O = Pd(OH)+ + log_k -1.86 #70NAB/KAL + delta_h +11.908 #kJ/mol +# Enthalpy of formation: -84.032 kJ/mol + -analytic 22.61920E-2 00.00000E+0 -62.19982E+1 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000Pd+2 +2.000H2O = Pd(OH)2 + log_k -3.49 #12RAI/YUI + delta_h +13.576 #kJ/mol +# Enthalpy of formation: -368.195 kJ/mol + -analytic -11.11587E-1 00.00000E+0 -70.91239E+1 00.00000E+0 00.00000E+0 + +-3.000H+ +1.000Pd+2 +3.000H2O = Pd(OH)3- + log_k -15.48 #12RAI/YUI + delta_h +52.289 #kJ/mol +# Enthalpy of formation: -615.311 kJ/mol + -analytic -63.19360E-1 00.00000E+0 -27.31245E+2 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +1.000SO4-2 = Pd(SO4) + log_k +2.91 #87BRO/WAN + delta_h +4.588 #kJ/mol +# Enthalpy of formation: -714.862 kJ/mol + -analytic 37.13783E-1 00.00000E+0 -23.96479E+1 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +2.000SO4-2 = Pd(SO4)2-2 + log_k +4.17 #82HOG + -analytic 41.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +1.000Br- = PdBr+ + log_k +5.77 #72ELD + delta_h -30.145 #kJ/mol +# Enthalpy of formation: +38.334 kJ/mol + -analytic 48.88227E-2 00.00000E+0 15.74583E+2 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +2.000Br- = PdBr2 + log_k +10.06 #72ELD + delta_h -57.714 #kJ/mol +# Enthalpy of formation: -110.644 kJ/mol + -analytic -51.05877E-3 00.00000E+0 30.14612E+2 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +3.000Br- = PdBr3- + log_k +13.75 #72ELD + delta_h -92.390 #kJ/mol +# Enthalpy of formation: -266.730 kJ/mol + -analytic -24.36033E-1 00.00000E+0 48.25866E+2 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +4.000Br- = PdBr4-2 + log_k +15.11 #72ELD + delta_h -126.688 #kJ/mol +# Enthalpy of formation: -422.437 kJ/mol + -analytic -70.84785E-1 00.00000E+0 66.17375E+2 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +1.000Cl- = PdCl+ + log_k +5.00 #12RAI/YUI + delta_h -23.954 #kJ/mol +# Enthalpy of formation: -1.145 kJ/mol + -analytic 80.34393E-2 00.00000E+0 12.51205E+2 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +2.000Cl- = PdCl2 + log_k +8.42 #12RAI/YUI + delta_h -48.037 #kJ/mol +# Enthalpy of formation: -192.307 kJ/mol + -analytic 42.78852E-4 00.00000E+0 25.09147E+2 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +3.000Cl- = PdCl3- + log_k +10.93 #12RAI/YUI + delta_h -77.749 #kJ/mol +# Enthalpy of formation: -389.099 kJ/mol + -analytic -26.91040E-1 00.00000E+0 40.61113E+2 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Pd+2 +3.000Cl- +1.000H2O = PdCl3(OH)-2 + log_k +2.42 #12RAI/YUI + -analytic 24.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +4.000Cl- = PdCl4-2 + log_k +13.05 #12RAI/YUI + delta_h -120.180 #kJ/mol +# Enthalpy of formation: -598.610 kJ/mol + -analytic -80.04632E-1 00.00000E+0 62.77439E+2 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +1.000I- = PdI+ + log_k +10.40 #89BAE/McK + delta_h -58.206 #kJ/mol +# Enthalpy of formation: +74.903 kJ/mol + -analytic 20.27465E-2 00.00000E+0 30.40311E+2 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +2.000I- = PdI2 + log_k +14.50 #97BOU + delta_h -83.425 #kJ/mol +# Enthalpy of formation: -7.096 kJ/mol + -analytic -11.54326E-2 00.00000E+0 43.57591E+2 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +3.000I- = PdI3- + log_k +18.60 #97BOU + delta_h -121.755 #kJ/mol +# Enthalpy of formation: -102.205 kJ/mol + -analytic -27.30560E-1 00.00000E+0 63.59707E+2 00.00000E+0 00.00000E+0 + ++1.000Pd+2 +4.000I- = PdI4-2 + log_k +24.64 + delta_h -190.061 #kJ/mol +# Enthalpy of formation: -227.291 kJ/mol + -analytic -86.57258E-1 00.00000E+0 99.27577E+2 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000H2(PO4)- = PO4-3 + log_k -19.56 #89COX/WAG + delta_h +18.200 #kJ/mol +# Enthalpy of formation: -1284.400 kJ/mol 89COX/WAG + -analytic -16.37150E+0 00.00000E+0 -95.06522E+1 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +1.000Acetate- = Pu(Acetate)+2 + log_k +2.85 #69MOS + -analytic 28.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +1.000Acetate- = Pu(Acetate)+3 + log_k +5.93 #62SCH/NEB + -analytic 59.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +2.000Acetate- = Pu(Acetate)2+ + log_k +5.06 #69MOS + -analytic 50.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +2.000Acetate- = Pu(Acetate)2+2 + log_k +10.09 #62SCH/NEB + -analytic 10.09000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +3.000Acetate- = Pu(Acetate)3 + log_k +6.57 #69MOS + -analytic 65.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +1.000Cit-3 = Pu(Cit) + log_k +8.55 #Analogy with Am + -analytic 85.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +2.000Cit-3 = Pu(Cit)2-3 + log_k +13.90 #Analogy with Am + -analytic 13.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +1.000CO3-2 = Pu(CO3)+ + log_k +7.64 #Estimated by correlation with An(III) in function of ionic radii + delta_h +14.742 #kJ/mol +# Enthalpy of formation: -1252.279 kJ/mol + -analytic 10.22269E+0 00.00000E+0 -77.00283E+1 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +2.000CO3-2 = Pu(CO3)2- + log_k +12.54 #Estimated by correlation with An(III) in function of ionic radii + -analytic 12.54000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +3.000CO3-2 = Pu(CO3)3-3 + log_k +15.20 #Estimated by correlation with An(III) in function of ionic radii + -analytic 15.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +4.000CO3-2 = Pu(CO3)4-4 + log_k +37.00 #03GUI/FAN + -analytic 37.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +5.000CO3-2 = Pu(CO3)5-6 + log_k +35.65 #03GUI/FAN + -analytic 35.65000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +1.000Edta-4 = Pu(Edta) + log_k +31.80 #Recommended in 05HUM/AND + -analytic 31.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +1.000Edta-4 = Pu(Edta)- + log_k +20.18 #05HUM/AND + delta_h -8.700 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2305.290 kJ/mol + -analytic 18.65583E+0 00.00000E+0 45.44326E+1 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +1.000H2(PO4)- = Pu(H2PO4)+2 + log_k +2.20 #10RAI/MOO + -analytic 22.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +1.000H+ +1.000Cit-3 = Pu(HCit)+ + log_k +12.86 #Analogy with Am + -analytic 12.86000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +2.000H+ +2.000Cit-3 = Pu(HCit)2- + log_k +23.52 #Analogy with Am + -analytic 23.52000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +1.000H+ +1.000Edta-4 = Pu(HEdta) + log_k +22.02 #05HUM/AND + -analytic 22.02000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 -1.000H+ +1.000H2(PO4)- = Pu(HPO4)+ + log_k -1.81 #Estimated by correlation with An(III) in function of ionic radii + -analytic -18.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 -2.000H+ +2.000H2(PO4)- = Pu(HPO4)2- + log_k -5.45 #Estimated by correlation with An(III) in function of ionic radii + -analytic -54.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +1.000NO3- = Pu(NO3)+2 + log_k +1.33 #95SIL/BID, LogK selected in analogy to Am (NEA recommendation 95SIL/BID) + -analytic 13.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +1.000NO3- = Pu(NO3)+3 + log_k +1.95 #01LEM/FUG + -analytic 19.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +1.000Nta-3 = Pu(Nta) + log_k +13.10 #95AKR/BOU + -analytic 13.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +1.000Nta-3 = Pu(Nta)+ + log_k +25.72 #16BON/AUP + -analytic 25.72000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 -1.000H+ +1.000H2O = Pu(OH)+2 + log_k -6.18 #20GRE/GAO + delta_h +30.753 #kJ/mol +# Enthalpy of formation: -846.866 kJ/mol + -analytic -79.23057E-2 00.00000E+0 -16.06341E+2 00.00000E+0 00.00000E+0 + ++1.000Pu+4 -1.000H+ +1.000H2O = Pu(OH)+3 + log_k +0.60 #99NEC, 01NEC/KIM, 03GUI/FAN + delta_h +22.922 #kJ/mol +# Enthalpy of formation: -802.803 kJ/mol + -analytic 46.15762E-1 00.00000E+0 -11.97299E+2 00.00000E+0 00.00000E+0 + ++1.000Pu+4 -2.000H+ +2.000CO3-2 +2.000H2O = Pu(OH)2(CO3)2-2 + log_k +18.21 #99RAI/HES1 + -analytic 18.21000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 -2.000H+ +1.000HGlu- +2.000H2O = Pu(OH)2(HGlu) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 -2.000H+ +1.000HIsa- +2.000H2O = Pu(OH)2(HIsa) + log_k -10.97 #18TAS/GAO + -analytic -10.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 -2.000H+ +2.000H2O = Pu(OH)2+ + log_k -15.10 #Analogy with Am(III) + delta_h +89.712 #kJ/mol +# Enthalpy of formation: -1073.737 kJ/mol + -analytic 61.68677E-2 00.00000E+0 -46.85984E+2 00.00000E+0 00.00000E+0 + ++1.000Pu+4 -2.000H+ +2.000H2O = Pu(OH)2+2 + log_k +0.60 #99NEC, 01NEC/KIM, 03GUI/FAN + delta_h +39.780 #kJ/mol +# Enthalpy of formation: -1071.775 kJ/mol + -analytic 75.69157E-1 00.00000E+0 -20.77854E+2 00.00000E+0 00.00000E+0 + ++1.000Pu+4 -2.000H+ +1.000Edta-4 +2.000H2O = Pu(OH)2Edta-2 + log_k +18.02 #21DIB/TAS + -analytic 18.02000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 -3.000H+ +3.000H2O = Pu(OH)3 + log_k -26.20 #20GRE/GAO + delta_h +151.892 #kJ/mol +# Enthalpy of formation: -1297.387 kJ/mol + -analytic 41.03361E-2 00.00000E+0 -79.33872E+2 00.00000E+0 00.00000E+0 + ++1.000Pu+4 -3.000H+ +1.000HGlu- +3.000H2O = Pu(OH)3(HGlu) + log_k +4.75 #06GAO/GRI + -analytic 47.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 -3.000H+ +3.000H2O = Pu(OH)3+ + log_k -2.30 #99NEC, 01NEC/KIM, 03GUI/FAN + delta_h +64.376 #kJ/mol +# Enthalpy of formation: -1333.008 kJ/mol + -analytic 89.78191E-1 00.00000E+0 -33.62593E+2 00.00000E+0 00.00000E+0 + ++1.000Pu+4 -3.000H+ +1.000Edta-4 +3.000H2O = Pu(OH)3Edta-3 + log_k +8.50 #21DIB/TAS + -analytic 85.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 -4.000H+ +4.000H2O = Pu(OH)4 + log_k -8.50 #03GUI/FAN + delta_h +98.586 #kJ/mol +# Enthalpy of formation: -1584.627 kJ/mol + -analytic 87.71526E-1 00.00000E+0 -51.49505E+2 00.00000E+0 00.00000E+0 + ++1.000Pu+4 -4.000H+ +1.000HGlu- +4.000H2O = Pu(OH)4(HGlu)- + log_k -2.70 #06GAO/GRI + -analytic -27.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 -4.000H+ +2.000HGlu- +4.000H2O = Pu(OH)4(HGlu)2-2 + log_k -2.83 #Analogy with An(IV)-ISA + -analytic -28.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 -4.000H+ +1.000HIsa- +4.000H2O = Pu(OH)4(HIsa)- + log_k -5.03 #18TAS/GAO & TAS/GAO1 + -analytic -50.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 -4.000H+ +2.000HIsa- +4.000H2O = Pu(OH)4(HIsa)2-2 + log_k -2.83 #23ROD/COL + -analytic -28.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 -5.000H+ +1.000HGlu- +5.000H2O = Pu(OH)5(HGlu)-2 + log_k -16.92 #Analogy with An(IV)-ISA + -analytic -16.92000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 -5.000H+ +1.000HIsa- +5.000H2O = Pu(OH)5(HIsa)-2 + log_k -16.92 #18TAS/GAO & 18TAS/GAO1 + -analytic -16.92000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 -1.000H+ +1.000Edta-4 +1.000H2O = Pu(OH)Edta- + log_k +23.00 #21DIB/TAS + -analytic 23.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +1.000Ox-2 = Pu(Ox)+ + log_k +6.49 #12GRI/GAR2 + -analytic 64.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +1.000Ox-2 = Pu(Ox)+2 + log_k +11.40 #05HUM/AND + -analytic 11.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +2.000Ox-2 = Pu(Ox)2 + log_k +20.60 #05HUM/AND + -analytic 20.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +2.000Ox-2 = Pu(Ox)2- + log_k +10.62 #12GRI/GAR2 + -analytic 10.62000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +3.000Ox-2 = Pu(Ox)3-2 + log_k +25.69 #05HUM/AND + -analytic 25.69000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +3.000Ox-2 = Pu(Ox)3-3 + log_k +13.22 #12GRI/GAR2 + -analytic 13.22000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 -2.000H+ +1.000H2(PO4)- = Pu(PO4) + log_k -7.91 #Estimated by correlation with An(III) in function of ionic radii + -analytic -79.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 -4.000H+ +2.000H2(PO4)- = Pu(PO4)2-3 + log_k -19.71 #Estimated by correlation with An(III) in function of ionic radii + -analytic -19.71000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +1.000SO4-2 = Pu(SO4)+ + log_k +3.91 #01LEM/FUG + delta_h +17.240 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -1483.890 kJ/mol + -analytic 69.30318E-1 00.00000E+0 -90.05079E+1 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +1.000SO4-2 = Pu(SO4)+2 + log_k +6.89 #01LEM/FUG + delta_h +13.754 #kJ/mol +# Enthalpy of formation: -1435.481 kJ/mol + -analytic 92.99597E-1 00.00000E+0 -71.84215E+1 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +2.000SO4-2 = Pu(SO4)2 + log_k +11.14 #01LEM/FUG + delta_h +43.907 #kJ/mol +# Enthalpy of formation: -2314.667 kJ/mol + -analytic 18.83218E+0 00.00000E+0 -22.93422E+2 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +2.000SO4-2 = Pu(SO4)2- + log_k +5.70 #01LEM/FUG + delta_h +11.880 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -2398.590 kJ/mol + -analytic 77.81287E-1 00.00000E+0 -62.05356E+1 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +1.000Br- = PuBr+3 + log_k +1.60 #01LEM/FUG + -analytic 16.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +1.000Cl- = PuCl+3 + log_k +1.80 #01LEM/FUG + delta_h +19.820 #kJ/mol +# Enthalpy of formation: -687.155 kJ/mol + -analytic 52.72315E-1 00.00000E+0 -10.35271E+2 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +1.000F- = PuF+3 + log_k +8.84 #01LEM/FUG + delta_h +9.100 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -866.145 kJ/mol + -analytic 10.43425E+0 00.00000E+0 -47.53261E+1 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +2.000F- = PuF2+2 + log_k +15.70 #01LEM/FUG + delta_h +11.000 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -1199.595 kJ/mol + -analytic 17.62712E+0 00.00000E+0 -57.45700E+1 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +3.000F- = PuF3+ + log_k +20.11 #01LEM/FUG + -analytic 20.11000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +1.000H+ +1.000H2(PO4)- = PuH3PO4+4 + log_k +4.54 #01LEM/FUG + -analytic 45.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+3 +1.000I- = PuI+2 + log_k +1.10 #01LEM/FUG + -analytic 11.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Pu+4 +1.000I- = PuI+3 + log_k +1.62 #ANDRA report (C RP 0ENQ 02-001,Estimated by correlation with An(IV) in function of ionic radii) + -analytic 16.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 +1.000Acetate- = PuO2(Acetate)+ + log_k +2.87 #11RIC/GRI + -analytic 28.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 +2.000Acetate- = PuO2(Acetate)2 + log_k +4.77 #11RIC/GRI + -analytic 47.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 +3.000Acetate- = PuO2(Acetate)3- + log_k +6.19 #11RIC/GRI + -analytic 61.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 +1.000CO3-2 = PuO2(CO3) + log_k +9.50 #03GUI/FAN + -analytic 95.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+ +1.000CO3-2 = PuO2(CO3)- + log_k +5.03 #20GRE/GAO + -analytic 50.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 +2.000CO3-2 = PuO2(CO3)2-2 + log_k +14.70 #03GUI/FAN + delta_h -27.000 #kJ/mol 03GUI/FAN +# Enthalpy of formation: -2199.496 kJ/mol + -analytic 99.69803E-1 00.00000E+0 14.10308E+2 00.00000E+0 00.00000E+0 + ++1.000PuO2+ +2.000CO3-2 = PuO2(CO3)2-3 + log_k +6.34 #20GRE/GAO + -analytic 63.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 +3.000CO3-2 = PuO2(CO3)3-4 + log_k +18.00 #03GUI/FAN + delta_h -38.600 #kJ/mol 03GUI/FAN +# Enthalpy of formation: -2886.326 kJ/mol + -analytic 11.23757E+0 00.00000E+0 20.16218E+2 00.00000E+0 00.00000E+0 + ++1.000PuO2+ +3.000CO3-2 = PuO2(CO3)3-5 + log_k +5.61 #20GRE/GAO + -analytic 56.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000UO2+2 +1.000PuO2+2 +6.000CO3-2 = PuO2(CO3)6(UO2)2-6 + log_k +53.48 #20GRE/GAO + -analytic 53.48000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+ -1.000H+ +1.000H2(PO4)- = PuO2(HPO4)- + log_k -4.86 #NEA Guidelines in 01LEM/FUG + -analytic -48.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+ +1.000Nta-3 = PuO2(Nta)-2 + log_k +7.50 #95AKR/BOU + -analytic 75.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 -1.000H+ +1.000H2O = PuO2(OH)+ + log_k -5.50 #01LEM/FUG + delta_h +28.000 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -1079.866 kJ/mol + -analytic -59.46106E-2 00.00000E+0 -14.62542E+2 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 -2.000H+ +2.000H2O = PuO2(OH)2 + log_k -13.20 #01LEM/FUG + -analytic -13.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 -3.000H+ +3.000H2O = PuO2(OH)3- + log_k -24.00 #20GRE/GAO + -analytic -24.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 -1.000H+ +1.000H4(SiO4) = PuO2(OSi(OH)3)+ + log_k -3.64 #03YUS/FED + -analytic -36.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 +1.000Ox-2 = PuO2(Ox) + log_k +7.00 #95AKR/BOU + -analytic 70.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 +2.000Ox-2 = PuO2(Ox)2-2 + log_k +10.50 #73POR/DEP in 95AKR/BOU + -analytic 10.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 +1.000Phthalat-2 = PuO2(Phthalat) + log_k +5.76 #11GRI/COL3 + -analytic 57.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 +1.000SO4-2 = PuO2(SO4) + log_k +3.38 #01LEM/FUG + delta_h +16.100 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -1715.276 kJ/mol + -analytic 62.00599E-1 00.00000E+0 -84.09616E+1 00.00000E+0 00.00000E+0 + ++1.000PuO2+ +1.000SO4-2 = PuO2(SO4)- + log_k +1.26 #20GRE/GAO + -analytic 12.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 +2.000SO4-2 = PuO2(SO4)2-2 + log_k +4.40 #01LEM/FUG + delta_h +43.000 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -2597.716 kJ/mol + -analytic 11.93328E+0 00.00000E+0 -22.46046E+2 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 +1.000Cl- = PuO2Cl+ + log_k +0.23 #03GUI/FAN + delta_h +4.187 #kJ/mol +# Enthalpy of formation: -984.929 kJ/mol + -analytic 96.35309E-2 00.00000E+0 -21.87022E+1 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 +2.000Cl- = PuO2Cl2 + log_k -1.15 #03GUI/FAN + -analytic -11.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+ +1.000F- = PuO2F + log_k +1.20 #In analogy to NpO2)F + -analytic 12.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 +1.000F- = PuO2F+ + log_k +4.56 #01LEM/FUG + delta_h -3.654 #kJ/mol +# Enthalpy of formation: -1161.039 kJ/mol + -analytic 39.19847E-1 00.00000E+0 19.08617E+1 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 +2.000F- = PuO2F2 + log_k +7.25 #01LEM/FUG + delta_h +1.206 #kJ/mol +# Enthalpy of formation: -1491.529 kJ/mol + -analytic 74.61282E-1 00.00000E+0 -62.99377E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 +3.000F- = PuO2F3- + log_k +9.59 #85SAW/CHA + delta_h +2.399 #kJ/mol +# Enthalpy of formation: -1825.686 kJ/mol + -analytic 10.01029E+0 00.00000E+0 -12.53085E+1 00.00000E+0 00.00000E+0 + ++1.000PuO2+2 +1.000NO3- = PuO2NO3+ + log_k +0.10 #12GRI/GAR1 (LogK selected in analogy to U (NEA recommendation), logK(UO2NO3 +)) + -analytic 10.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000PuO2+ -1.000H+ +1.000H2O = PuO2OH + log_k -11.30 #01LEM/FUG + delta_h +71.826 #kJ/mol +# Enthalpy of formation: -1124.131 kJ/mol + -analytic 12.83375E-1 00.00000E+0 -37.51733E+2 00.00000E+0 00.00000E+0 + ++1.000Ra+2 +1.000CO3-2 = Ra(CO3) + log_k +2.50 #99SCH + delta_h +4.496 #kJ/mol +# Enthalpy of formation: -1198.760 kJ/mol + -analytic 32.87665E-1 00.00000E+0 -23.48424E+1 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Ra+2 +1.000CO3-2 = Ra(HCO3)+ + log_k +10.92 #02ILE/TWE; Uncertainty to include available data. + -analytic 10.92000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Ra+2 +1.000H2O = Ra(OH)+ + log_k -13.49 + delta_h +60.417 #kJ/mol 85LAN/RIE +# Enthalpy of formation: -753.438 kJ/mol + -analytic -29.05396E-1 00.00000E+0 -31.55800E+2 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000Ra+2 +2.000H2O = Ra(OH)2 + log_k -28.07 + delta_h +112.197 #kJ/mol +# Enthalpy of formation: -987.488 kJ/mol + -analytic -84.13929E-1 00.00000E+0 -58.60457E+2 00.00000E+0 00.00000E+0 + ++1.000Ra+2 +1.000SO4-2 = Ra(SO4) + log_k +2.76 + delta_h +5.472 #kJ/mol +# Enthalpy of formation: -1431.892 kJ/mol + -analytic 37.18653E-1 00.00000E+0 -28.58225E+1 00.00000E+0 00.00000E+0 + ++1.000Ra+2 +1.000Cl- = RaCl+ + log_k -0.10 #85LAN/RIE; Uncertainty to include available data. + delta_h +2.479 #kJ/mol +# Enthalpy of formation: -692.626 kJ/mol + -analytic 33.43022E-2 00.00000E+0 -12.94872E+1 00.00000E+0 00.00000E+0 + ++1.000Ra+2 +2.000Cl- = RaCl2 + log_k -0.10 + delta_h +0.495 #kJ/mol +# Enthalpy of formation: -861.689 kJ/mol + -analytic -13.27972E-3 00.00000E+0 -25.85565E+0 00.00000E+0 00.00000E+0 + ++1.000Ra+2 +1.000F- = RaF+ + log_k +0.48 #87BRO/WAN + -analytic 48.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Br- +1.000Rb+ = RbBr + log_k -1.24 + delta_h +13.836 #kJ/mol +# Enthalpy of formation: -358.694 kJ/mol 97SVE/SHO + -analytic 11.83963E-1 00.00000E+0 -72.27046E+1 00.00000E+0 00.00000E+0 + ++1.000Cl- +1.000Rb+ = RbCl + log_k -1.01 + delta_h +13.189 #kJ/mol +# Enthalpy of formation: -405.011 kJ/mol 97SVE/SHO + -analytic 13.00614E-1 00.00000E+0 -68.89094E+1 00.00000E+0 00.00000E+0 + ++1.000F- +1.000Rb+ = RbF + log_k +0.94 + delta_h +1.923 #kJ/mol +# Enthalpy of formation: -584.547 kJ/mol 97SVE/SHO + -analytic 12.76895E-1 00.00000E+0 -10.04453E+1 00.00000E+0 00.00000E+0 + ++1.000I- +1.000Rb+ = RbI + log_k -0.84 + delta_h +6.987 #kJ/mol +# Enthalpy of formation: -300.913 kJ/mol 97SVE/SHO + -analytic 38.40699E-2 00.00000E+0 -36.49564E+1 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Rb+ +1.000H2O = RbOH + log_k -14.26 + delta_h +64.158 #kJ/mol +# Enthalpy of formation: -472.792 kJ/mol 97SHO/SAS2 + -analytic -30.20001E-1 00.00000E+0 -33.51206E+2 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000HS- = S-2 + log_k -17.10 #04CHI + delta_h +73.278 #kJ/mol +# Enthalpy of formation: +56.978 kJ/mol + -analytic -42.62245E-1 00.00000E+0 -38.27577E+2 00.00000E+0 00.00000E+0 + +-2.000H+ -2.000e- +2.000HS- = S2-2 + log_k -10.54 + delta_h +67.640 #kJ/mol +# Enthalpy of formation: +35.040 kJ/mol 04CHI + -analytic 13.10019E-1 00.00000E+0 -35.33083E+2 00.00000E+0 00.00000E+0 + ++2.000H+ +2.000SO3-2 -1.000H2O = S2O5-2 + log_k +12.85 #85GOL/PAR + delta_h +2.606 #kJ/mol +# Enthalpy of formation: -973.684 kJ/mol + -analytic 13.30655E+0 00.00000E+0 -13.61209E+1 00.00000E+0 00.00000E+0 + +-2.000e- +2.000SO4-2 = S2O8-2 + log_k -65.38 + delta_h +473.980 #kJ/mol +# Enthalpy of formation: -1344.700 kJ/mol 82WAG/EVA + -analytic 17.65773E+0 00.00000E+0 -24.75770E+3 00.00000E+0 00.00000E+0 + +-3.000H+ -4.000e- +3.000HS- = S3-2 + log_k -6.51 + delta_h +74.840 #kJ/mol +# Enthalpy of formation: +25.940 kJ/mol 74NAU/RYZ + -analytic 66.01405E-1 00.00000E+0 -39.09165E+2 00.00000E+0 00.00000E+0 + ++6.000H+ +2.000e- +3.000SO3-2 -3.000H2O = S3O6-2 + log_k +36.82 + delta_h -131.646 #kJ/mol +# Enthalpy of formation: -1167.336 kJ/mol 04CHI + -analytic 13.75661E+0 00.00000E+0 68.76349E+2 00.00000E+0 00.00000E+0 + +-4.000H+ -6.000e- +4.000HS- = S4-2 + log_k -3.58 + delta_h +88.210 #kJ/mol +# Enthalpy of formation: +23.010 kJ/mol 74NAU/RYZ + -analytic 11.87373E+0 00.00000E+0 -46.07529E+2 00.00000E+0 00.00000E+0 + ++12.000H+ +6.000e- +4.000SO3-2 -6.000H2O = S4O6-2 + log_k +90.80 + delta_h -414.978 #kJ/mol +# Enthalpy of formation: -1224.238 kJ/mol 04CHI + -analytic 18.09898E+0 00.00000E+0 21.67581E+3 00.00000E+0 00.00000E+0 + +-5.000H+ -8.000e- +5.000HS- = S5-2 + log_k -0.87 + delta_h +102.840 #kJ/mol +# Enthalpy of formation: +21.340 kJ/mol 74NAU/RYZ + -analytic 17.14679E+0 00.00000E+0 -53.71707E+2 00.00000E+0 00.00000E+0 + ++18.000H+ +10.000e- +5.000SO3-2 -9.000H2O = S5O6-2 + log_k +115.39 + delta_h -592.874 #kJ/mol +# Enthalpy of formation: -1175.704 kJ/mol 04CHI + -analytic 11.52293E+0 00.00000E+0 30.96797E+3 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000Sb(OH)3 -2.000H2O = Sb(OH)+2 + log_k +0.74 #99LOT/OCH + -analytic 74.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Sb(OH)3 -1.000H2O = Sb(OH)2+ + log_k +1.33 #77ANT/NEV and others recalculated + -analytic 13.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Sb(OH)3 +1.000H2O = Sb(OH)4- + log_k -11.82 #52GAY/GAR recalculated + -analytic -11.82000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000H+ +1.000Sb(OH)5 -1.000H2O = Sb(OH)4+ + log_k -3.26 #57PIT/POU in 99LOT/OCH + -analytic -32.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Sb(OH)5 +1.000H2O = Sb(OH)6- + log_k -2.72 #63LEF/MAR in 76BAE/MES + -analytic -27.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000H+ +1.000Sb(OH)3 -3.000H2O = Sb+3 + log_k -0.73 #99LOT/OCH + -analytic -73.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-4.000H+ +12.000Sb(OH)5 +4.000H2O = Sb12(OH)64-4 + log_k +20.34 #63LEF/MAR in 76BAE/MES + -analytic 20.34000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-5.000H+ +12.000Sb(OH)5 +5.000H2O = Sb12(OH)65-5 + log_k +16.72 #63LEF/MAR in 76BAE/MES + -analytic 16.72000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-6.000H+ +12.000Sb(OH)5 +6.000H2O = Sb12(OH)66-6 + log_k +11.89 #63LEF/MAR in 76BAE/MES + -analytic 11.89000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-7.000H+ +12.000Sb(OH)5 +7.000H2O = Sb12(OH)67-7 + log_k +6.07 #63LEF/MAR in 76BAE/MES + -analytic 60.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++4.000H+ +4.000HS- +2.000Sb(OH)3 -6.000H2O = Sb2H2S4 + log_k +57.81 #88KRU + -analytic 57.81000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000H+ +4.000HS- +2.000Sb(OH)3 -6.000H2O = Sb2HS4- + log_k +52.90 #88KRU + -analytic 52.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +4.000HS- +2.000Sb(OH)3 -6.000H2O = Sb2S4-2 + log_k +43.38 #88KRU + -analytic 43.38000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000H+ +1.000Cl- +1.000Sb(OH)3 -3.000H2O = SbCl+2 + log_k +2.80 #70BON/WAU and others recalculated + -analytic 28.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000H+ +2.000Cl- +1.000Sb(OH)3 -3.000H2O = SbCl2+ + log_k +3.27 #70BON/WAU and others recalculated + -analytic 32.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000H+ +1.000F- +1.000Sb(OH)3 -3.000H2O = SbF+2 + log_k +6.37 #70BON recalculated + -analytic 63.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000H+ +2.000F- +1.000Sb(OH)3 -3.000H2O = SbF2+ + log_k +12.42 #70BON recalculated + -analytic 12.42000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++3.000H+ +3.000F- +1.000Sb(OH)3 -3.000H2O = SbF3 + log_k +18.20 #70BON recalculated + -analytic 18.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000HSe- = Se-2 + log_k -14.91 + -analytic -14.91000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ -2.000e- +2.000HSe- = Se2-2 + log_k -4.50 #05OLI/NOL + -analytic -45.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-3.000H+ -4.000e- +3.000HSe- = Se3-2 + log_k +5.24 #05OLI/NOL + -analytic 52.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-4.000H+ -6.000e- +4.000HSe- = Se4-2 + log_k +13.38 #05OLI/NOL + -analytic 13.38000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +2.000H4(SiO4) -1.000H2O = Si2O2(OH)5- + log_k -8.50 #01FEL/CHO + -analytic -85.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +2.000H4(SiO4) -1.000H2O = Si2O3(OH)4-2 + log_k -19.40 #01FEL/CHO + -analytic -19.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-3.000H+ +3.000H4(SiO4) -2.000H2O = Si3O5(OH)5-3 + log_k -29.40 #01FEL/CHO + -analytic -29.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-3.000H+ +3.000H4(SiO4) -3.000H2O = Si3O6(OH)3-3 + log_k -29.30 #01FEL/CHO + -analytic -29.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +4.000H4(SiO4) -4.000H2O = Si4O6(OH)6-2 + log_k -15.60 #01FEL/CHO + -analytic -15.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-4.000H+ +4.000H4(SiO4) -3.000H2O = Si4O7(OH)6-4 + log_k -39.10 #01FEL/CHO + -analytic -39.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-4.000H+ +4.000H4(SiO4) -4.000H2O = Si4O8(OH)4-4 + log_k -39.20 #01FEL/CHO + -analytic -39.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-6.000H+ +6.000H4(SiO4) -9.000H2O = Si6O15-6 + log_k -61.80 #01FEL/CHO + -analytic -61.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sm+3 +1.000CO3-2 = Sm(CO3)+ + log_k +7.80 #95SPA/BRU + delta_h +23.851 #kJ/mol +# Enthalpy of formation: -1342.577 kJ/mol + -analytic 11.97852E+0 00.00000E+0 -12.45824E+2 00.00000E+0 00.00000E+0 + ++1.000Sm+3 +2.000CO3-2 = Sm(CO3)2- + log_k +12.80 #95SPA/BRU + -analytic 12.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sm+3 +3.000CO3-2 = Sm(CO3)3-3 + log_k +14.80 #05VER/VIT2 + -analytic 14.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sm+3 +1.000H2(PO4)- = Sm(H2PO4)+2 + log_k +2.35 #95SPA/BRU + -analytic 23.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sm+3 +1.000H+ +1.000CO3-2 = Sm(HCO3)+2 + log_k +12.43 #95SPA/BRU + -analytic 12.43000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sm+3 -1.000H+ +1.000H2(PO4)- = Sm(HPO4)+ + log_k -1.61 #95SPA/BRU + -analytic -16.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sm+3 -2.000H+ +2.000H2(PO4)- = Sm(HPO4)2- + log_k -5.02 #95SPA/BRU + -analytic -50.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sm+3 +1.000NO3- = Sm(NO3)+2 + log_k +0.90 #95SPA/BRU + -analytic 90.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sm+3 -1.000H+ +1.000H2O = Sm(OH)+2 + log_k -7.90 #95SPA/BRU + delta_h +48.805 #kJ/mol +# Enthalpy of formation: -928.223 kJ/mol + -analytic 65.02690E-2 00.00000E+0 -25.49263E+2 00.00000E+0 00.00000E+0 + ++1.000Sm+3 -2.000H+ +2.000H2O = Sm(OH)2+ + log_k -15.70 #07NEC/ALT2 + delta_h +101.371 #kJ/mol +# Enthalpy of formation: -1161.487 kJ/mol + -analytic 20.59437E-1 00.00000E+0 -52.94976E+2 00.00000E+0 00.00000E+0 + ++1.000Sm+3 -3.000H+ +3.000H2O = Sm(OH)3 + log_k -26.20 #07NEC/ALT2 + delta_h +160.126 #kJ/mol +# Enthalpy of formation: -1388.562 kJ/mol + -analytic 18.52871E-1 00.00000E+0 -83.63963E+2 00.00000E+0 00.00000E+0 + ++1.000Sm+3 -4.000H+ +4.000H2O = Sm(OH)4- + log_k -40.70 #07NEC/ALT2 + delta_h +232.448 #kJ/mol +# Enthalpy of formation: -1602.069 kJ/mol + -analytic 23.14152E-3 00.00000E+0 -12.14160E+3 00.00000E+0 00.00000E+0 + ++1.000Sm+3 -2.000H+ +1.000H2(PO4)- = Sm(PO4) + log_k -7.46 #95SPA/BRU + -analytic -74.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sm+3 -4.000H+ +2.000H2(PO4)- = Sm(PO4)2-3 + log_k -18.72 #95SPA/BRU + -analytic -18.72000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sm+3 +1.000SO4-2 = Sm(SO4)+ + log_k +3.50 #95SPA/BRU + delta_h +16.584 #kJ/mol +# Enthalpy of formation: -1583.954 kJ/mol + -analytic 64.05392E-1 00.00000E+0 -86.62426E+1 00.00000E+0 00.00000E+0 + ++1.000Sm+3 +2.000SO4-2 = Sm(SO4)2- + log_k +5.20 #95SPA/BRU + delta_h +24.918 #kJ/mol +# Enthalpy of formation: -2484.959 kJ/mol + -analytic 95.65446E-1 00.00000E+0 -13.01558E+2 00.00000E+0 00.00000E+0 + ++1.000Sm+3 +1.000Br- = SmBr+2 + log_k +0.23 #96FAL/REA + delta_h -1.358 #kJ/mol +# Enthalpy of formation: -813.965 kJ/mol + -analytic -79.11387E-4 00.00000E+0 70.93328E+0 00.00000E+0 00.00000E+0 + ++1.000Sm+3 +1.000Cl- = SmCl+2 + log_k +0.72 #Original data 01LUO/BYR and 07LUO/BYR + delta_h +3.583 #kJ/mol +# Enthalpy of formation: -854.695 kJ/mol + -analytic 13.47715E-1 00.00000E+0 -18.71531E+1 00.00000E+0 00.00000E+0 + ++1.000Sm+3 +1.000F- = SmF+2 + log_k +4.21 #07LUO/BYR + delta_h +7.970 #kJ/mol 04LUO/MIL +# Enthalpy of formation: -1018.578 kJ/mol + -analytic 56.06284E-1 00.00000E+0 -41.63021E+1 00.00000E+0 00.00000E+0 + ++1.000Sm+3 +2.000F- = SmF2+ + log_k +6.43 #Original data 99SCH/BYR and 04LUO/BYR + delta_h +18.850 #kJ/mol 04LUO/MIL +# Enthalpy of formation: -1343.048 kJ/mol + -analytic 97.32378E-1 00.00000E+0 -98.46041E+1 00.00000E+0 00.00000E+0 + ++1.000Sm+3 -1.000H+ +1.000H4(SiO4) = SmSiO(OH)3+2 + log_k -2.62 #Orginal data 07THA/SIN and 96JEN/CHO1 + -analytic -26.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +1.000Cit-3 = Sn(Cit)- + log_k +8.70 #95AKR/BOU + -analytic 87.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +2.000Cit-3 = Sn(Cit)2-4 + log_k +11.90 #95AKR/BOU + -analytic 11.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +1.000Edta-4 = Sn(Edta)-2 + log_k +24.60 #95AKR/BOU + -analytic 24.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +2.000H+ +1.000Edta-4 = Sn(H2Edta) + log_k +24.30 #95AKR/BOU + -analytic 24.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +1.000H+ +1.000Edta-4 = Sn(HEdta)- + log_k +23.40 #95AKR/BOU + -analytic 23.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +1.000Nta-3 = Sn(Nta)- + log_k +13.40 #95AKR/BOU + -analytic 13.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 -1.000H+ +1.000H2O = Sn(OH)+ + log_k -3.53 #12GAM/GAJ + delta_h +18.611 #kJ/mol +# Enthalpy of formation: -276.835 kJ/mol + -analytic -26.94928E-2 00.00000E+0 -97.21202E+1 00.00000E+0 00.00000E+0 + ++1.000Sn+2 -2.000H+ +2.000H2O = Sn(OH)2 + log_k -7.68 #12GAM/GAJ + delta_h +40.762 #kJ/mol +# Enthalpy of formation: -540.515 kJ/mol + -analytic -53.88041E-2 00.00000E+0 -21.29148E+2 00.00000E+0 00.00000E+0 + ++1.000Sn+2 -3.000H+ +3.000H2O = Sn(OH)3- + log_k -16.43 + delta_h +89.189 #kJ/mol +# Enthalpy of formation: -777.917 kJ/mol + -analytic -80.47579E-2 00.00000E+0 -46.58666E+2 00.00000E+0 00.00000E+0 + ++1.000Sn+4 -4.000H+ +4.000H2O = Sn(OH)4 + log_k +7.54 + delta_h -49.205 #kJ/mol +# Enthalpy of formation: -1224.035 kJ/mol + -analytic -10.80346E-1 00.00000E+0 25.70156E+2 00.00000E+0 00.00000E+0 + ++1.000Sn+4 -5.000H+ +5.000H2O = Sn(OH)5- + log_k -1.06 + -analytic -10.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+4 -6.000H+ +6.000H2O = Sn(OH)6-2 + log_k -11.13 + -analytic -11.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 -1.000H+ +1.000Cl- +1.000H2O = Sn(OH)Cl + log_k -3.10 #52VAN/RHO recalculated in 02HUM/BER + -analytic -31.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +1.000Ox-2 = Sn(Ox) + log_k +6.50 #95AKR/BOU + -analytic 65.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +2.000Ox-2 = Sn(Ox)2-2 + log_k +12.90 #95AKR/BOU + -analytic 12.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +3.000Ox-2 = Sn(Ox)3-4 + log_k +17.10 #95AKR/BOU + -analytic 17.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +1.000SO4-2 = Sn(SO4) + log_k +3.43 #12GAM/GAJ + delta_h +16.900 #kJ/mol Suggested but not selected in 12GAM/GAJ +# Enthalpy of formation: -902.057 kJ/mol + -analytic 63.90753E-1 00.00000E+0 -88.27485E+1 00.00000E+0 00.00000E+0 + ++3.000Sn+2 -4.000H+ +4.000H2O = Sn3(OH)4+2 + log_k -5.60 #12GAM/GAJ + -analytic -56.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +1.000Br- = SnBr+ + log_k +1.33 #12GAM/GAJ + -analytic 13.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +2.000Br- = SnBr2 + log_k +1.97 #12GAM/GAJ + -analytic 19.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +3.000Br- = SnBr3- + log_k +1.93 #12GAM/GAJ + -analytic 19.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +1.000Cl- = SnCl+ + log_k +1.52 #12GAM/GAJ + delta_h +12.700 #kJ/mol 12GAM/GAJ +# Enthalpy of formation: -163.997 kJ/mol + -analytic 37.44944E-1 00.00000E+0 -66.33672E+1 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +2.000Cl- = SnCl2 + log_k +2.17 #12GAM/GAJ + delta_h +19.700 #kJ/mol 12GAM/GAJ +# Enthalpy of formation: -324.077 kJ/mol + -analytic 56.21292E-1 00.00000E+0 -10.29003E+2 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +3.000Cl- = SnCl3- + log_k +2.13 #12GAM/GAJ + -analytic 21.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +4.000Cl- = SnCl4-2 + log_k +2.03 #12GAM/GAJ + -analytic 20.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +1.000F- = SnF+ + log_k +5.25 #12GAM/GAJ + delta_h -9.580 #kJ/mol +# Enthalpy of formation: -354.546 kJ/mol + -analytic 35.71656E-1 00.00000E+0 50.03983E+1 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +2.000F- = SnF2 + log_k +8.89 #12GAM/GAJ + delta_h -9.969 #kJ/mol +# Enthalpy of formation: -690.285 kJ/mol + -analytic 71.43506E-1 00.00000E+0 52.07171E+1 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +3.000F- = SnF3- + log_k +11.50 #12GAM/GAJ + delta_h -4.479 #kJ/mol +# Enthalpy of formation: -1020.145 kJ/mol + -analytic 10.71531E+0 00.00000E+0 23.39545E+1 00.00000E+0 00.00000E+0 + ++1.000Sn+2 -1.000H+ +1.000H2(PO4)- = SnHPO4 + log_k +2.29 #00CIA/IUL + -analytic 22.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +1.000I- = SnI+ + log_k +1.74 #68HAI/JOH1 recalculated + -analytic 17.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 +2.000I- = SnI2 + log_k +2.69 #68HAI/JOH1 recalculated + -analytic 26.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sn+2 -2.000H+ +1.000H2(PO4)- = SnPO4- + log_k -1.56 #00CIA/IUL + -analytic -15.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000H+ +1.000SO3-2 -1.000H2O = SO2 + log_k +9.03 + delta_h +21.450 #kJ/mol +# Enthalpy of formation: -323.780 kJ/mol 85GOL/PAR + -analytic 12.78788E+0 00.00000E+0 -11.20412E+2 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000Cit-3 = Sr(Cit)- + log_k +4.24 #95AKR/BOU + -analytic 42.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 -1.000H+ +2.000Cit-3 +1.000H2O = Sr(Cit)2(OH)-5 + log_k -1.78 #95AKR/BOU + -analytic -17.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +2.000Cit-3 = Sr(Cit)2-4 + log_k +4.84 #95AKR/BOU + -analytic 48.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000CO3-2 = Sr(CO3) + log_k +2.81 #84BUS/PLU + delta_h +21.796 #kJ/mol +# Enthalpy of formation: -1204.335 kJ/mol + -analytic 66.28495E-1 00.00000E+0 -11.38484E+2 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000Edta-4 = Sr(Edta)-2 + log_k +10.30 #95AKR/BOU + -analytic 10.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +2.000H+ +1.000Cit-3 = Sr(H2Cit)+ + log_k +12.46 #95AKR/BOU + -analytic 12.46000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000H2(PO4)- = Sr(H2PO4)+ + log_k +0.83 #97MAR/SMI; Uncertainty to include available data. + -analytic 83.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000H+ +1.000Cit-3 = Sr(HCit) + log_k +9.00 #95AKR/BOU + -analytic 90.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000H+ +1.000CO3-2 = Sr(HCO3)+ + log_k +11.51 #84BUS/PLUS + delta_h +10.597 #kJ/mol +# Enthalpy of formation: -1215.533 kJ/mol + -analytic 13.36651E+0 00.00000E+0 -55.35199E+1 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000H+ +1.000Edta-4 = Sr(HEdta)- + log_k +14.70 #95AKR/BOU + -analytic 14.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000H+ +1.000Ox-2 = Sr(HOx)+ + log_k +5.80 #95AKR/BOU + -analytic 58.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +2.000H+ +2.000Ox-2 = Sr(HOx)2 + log_k +10.80 #95AKR/BOU + -analytic 10.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 -1.000H+ +1.000H2(PO4)- = Sr(HPO4) + log_k -4.70 #97MAR/SMI; Uncertainty to include available data. + -analytic -47.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000IO3- = Sr(IO3)+ + log_k +0.33 #estimation NEA87 01/02/95 + -analytic 33.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +2.000IO3- = Sr(IO3)2 + log_k -0.55 #estimation NEA87 01/02/95 + -analytic -55.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000NH3 = Sr(NH3)+2 + log_k -0.55 #estimation NEA87 08/02/95 + -analytic -55.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000NO3- = Sr(NO3)+ + log_k +0.60 #96FAL/REA + -analytic 60.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +2.000NO3- = Sr(NO3)2 + log_k +0.31 #96FAL/REA + -analytic 31.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000Nta-3 = Sr(Nta)- + log_k +6.25 #95AKR/BOU + -analytic 62.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 -1.000H+ +1.000H2O = Sr(OH)+ + log_k -13.29 #76BAE/MES + delta_h +82.608 #kJ/mol +# Enthalpy of formation: -754.122 kJ/mol + -analytic 11.82300E-1 00.00000E+0 -43.14916E+2 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000Ox-2 = Sr(Ox) + log_k +2.54 #95AKR/BOU + -analytic 25.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +2.000Ox-2 = Sr(Ox)2-2 + log_k +3.00 #95AKR/BOU + -analytic 30.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 -2.000H+ +1.000H2(PO4)- = Sr(PO4)- + log_k -13.56 #96BOU1 + -analytic -13.56000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000Pyrophos-4 = Sr(Pyrophos)-2 + log_k +5.40 #76SMI/MAR + -analytic 54.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000S2O3-2 = Sr(S2O3) + log_k +2.04 #76SMI/MAR + -analytic 20.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000SO4-2 = Sr(SO4) + log_k +2.30 #06BLA/IGN + delta_h +7.029 #kJ/mol 06BLA/IGN +# Enthalpy of formation: -1453.211 kJ/mol + -analytic 35.31428E-1 00.00000E+0 -36.71502E+1 00.00000E+0 00.00000E+0 + ++2.000Sr+2 -1.000H+ +1.000Cit-3 +1.000H2O = Sr2(Cit)(OH) + log_k +0.38 #95AKR/BOU + -analytic 38.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Sr+2 +1.000UO2+2 +3.000CO3-2 = Sr2UO2(CO3)3 + log_k +29.70 #20GRE/GAO + -analytic 29.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000B(OH)4- = SrB(OH)4+ + log_k +1.55 #80BAS + -analytic 15.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000Cl- = SrCl+ + log_k +0.23 #96BOU1 + delta_h +4.926 #kJ/mol +# Enthalpy of formation: -713.054 kJ/mol + -analytic 10.92998E-1 00.00000E+0 -25.73029E+1 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000F- = SrF+ + log_k +0.30 #96BOU + delta_h +16.740 #kJ/mol 96BOU +# Enthalpy of formation: -869.510 kJ/mol + -analytic 32.32722E-1 00.00000E+0 -87.43911E+1 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +2.000F- = SrF2 + log_k +2.02 #96FAL/REA + -analytic 20.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000I- = SrI+ + log_k +0.14 #estimation NEA87 01/02/95 + -analytic 14.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +2.000I- = SrI2 + log_k -0.04 #estimation NEA87 01/02/95 + -analytic -40.00000E-3 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Sr+2 +1.000UO2+2 +3.000CO3-2 = SrUO2(CO3)3-2 + log_k +25.90 #20GRE/GAO + -analytic 25.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000TcO(OH)2 +2.000H+ -2.000H2O = Tc2O2(OH)2+2 + log_k +12.99 #20GRE/GAO + -analytic 12.99000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000TcO(OH)2 +2.000H+ +1.000CO3-2 -1.000H2O = TcCO3(OH)2 + log_k +19.25 #99RAR/RAN + -analytic 19.25000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000TcO(OH)2 +1.000H+ +1.000CO3-2 = TcCO3(OH)3- + log_k +10.95 #99RAR/RAN + -analytic 10.95000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000TcO(OH)2 +1.000H+ -1.000H2O +1.000Acetate- = TcO(OH)(Acetate) + log_k +5.55 #11RIC/GRI + -analytic 55.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000TcO(OH)2 +1.000H+ +1.000Nta-3 -1.000H2O = TcO(OH)(Nta)-2 + log_k +13.30 #95AKR/BOU + -analytic 13.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000TcO(OH)2 +1.000H+ +2.000Nta-3 -1.000H2O = TcO(OH)(Nta)2-5 + log_k +11.70 #95AKR/BOU + -analytic 11.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000TcO(OH)2 +1.000Cit-3 = TcO(OH)2Cit-3 + log_k +2.80 #13WAL/KAR + -analytic 28.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000TcO(OH)2 -1.000H+ +1.000H2O = TcO(OH)3- + log_k -10.92 #20GRE/GAO + delta_h +39.030 #kJ/mol 97NGU/LAN +# Enthalpy of formation: -996.043 kJ/mol + -analytic -40.82238E-1 00.00000E+0 -20.38679E+2 00.00000E+0 00.00000E+0 + ++1.000TcO(OH)2 +2.000H+ +1.000Ox-2 -2.000H2O = TcO(Ox) + log_k +9.80 #06XIA/HES + -analytic 98.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000TcO(OH)2 +2.000H+ +2.000Ox-2 -2.000H2O = TcO(Ox)2-2 + log_k +13.66 #06XIA/HES + -analytic 13.66000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +1.000Acetate- = Th(Acetate)+3 + log_k +5.24 #11RIC/GRI + -analytic 52.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +2.000Acetate- = Th(Acetate)2+2 + log_k +9.44 #11RIC/GRI + -analytic 94.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +3.000Acetate- = Th(Acetate)3+ + log_k +12.56 #11RIC/GRI + -analytic 12.56000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +4.000Acetate- = Th(Acetate)4 + log_k +14.38 #11RIC/GRI + -analytic 14.38000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +5.000Acetate- = Th(Acetate)5- + log_k +15.37 #11RIC/GRI + -analytic 15.37000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +1.000Cit-3 = Th(Cit)+ + log_k +14.13 #87RAY/DUF + -analytic 14.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +2.000Cit-3 = Th(Cit)2-2 + log_k +24.29 #87RAY/DUF + -analytic 24.29000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +5.000CO3-2 = Th(CO3)5-6 + log_k +31.00 #09RAN/FUG + -analytic 31.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +1.000Edta-4 = Th(Edta) + log_k +26.95 #95AKR/BOU + -analytic 26.95000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +1.000H2(PO4)- = Th(H2PO4)+3 + log_k +5.59 #09RAN/FUG + -analytic 55.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +2.000H2(PO4)- = Th(H2PO4)2+2 + log_k +10.48 #09RAN/FUG + -analytic 10.48000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +1.000H+ +2.000H2(PO4)- = Th(H3PO4)(H2PO4)+3 + log_k +9.70 #09RAN/FUG + -analytic 97.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +1.000H+ +1.000H2(PO4)- = Th(H3PO4)+4 + log_k +4.03 #09RAN/FUG + -analytic 40.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +1.000H+ +1.000Edta-4 = Th(HEdta)+ + log_k +28.70 #95AKR/BOU + -analytic 28.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +1.000H+ +1.000Ox-2 = Th(HOx)+3 + log_k +11.00 #95AKR/BOU + -analytic 11.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +2.000H+ +2.000Ox-2 = Th(HOx)2+2 + log_k +18.13 #95AKR/BOU + -analytic 18.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +4.000H+ +4.000Ox-2 = Th(HOx)4 + log_k +24.30 #95AKR/BOU + -analytic 24.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +1.000Malonate-2 = Th(Malonate)+2 + log_k +9.32 #13GRI/CAM + -analytic 93.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +2.000Malonate-2 = Th(Malonate)2 + log_k +16.07 #13GRI/CAM + -analytic 16.07000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +3.000Malonate-2 = Th(Malonate)3-2 + log_k +19.63 #13GRI/CAM + -analytic 19.63000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +1.000NO3- = Th(NO3)+3 + log_k +1.30 #09RAN/FUG + -analytic 13.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +2.000NO3- = Th(NO3)2+2 + log_k +2.30 #09RAN/FUG + -analytic 23.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +1.000Nta-3 = Th(Nta)+ + log_k +19.73 #16BON/AUP + -analytic 19.73000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 -1.000H+ +4.000CO3-2 +1.000H2O = Th(OH)(CO3)4-5 + log_k +21.60 #09RAN/FUG + -analytic 21.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 -1.000H+ +1.000Edta-4 +1.000H2O = Th(OH)(Edta)- + log_k +19.50 #95AKR/BOU + -analytic 19.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 -1.000H+ +1.000H2O = Th(OH)+3 + log_k -2.50 #09RAN/FUG + delta_h +44.200 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -1010.330 kJ/mol + -analytic 52.43508E-1 00.00000E+0 -23.08727E+2 00.00000E+0 00.00000E+0 + ++1.000Th+4 -2.000H+ +1.000CO3-2 +2.000H2O = Th(OH)2(CO3) + log_k +2.50 #09RAN/FUG + -analytic 25.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 -2.000H+ +2.000CO3-2 +2.000H2O = Th(OH)2(CO3)2-2 + log_k +8.80 #09RAN/FUG + -analytic 88.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 -2.000H+ +2.000H2O = Th(OH)2+2 + log_k -6.20 #09RAN/FUG + delta_h +85.700 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -1254.660 kJ/mol + -analytic 88.13996E-1 00.00000E+0 -44.76423E+2 00.00000E+0 00.00000E+0 + ++1.000Th+4 -2.000H+ +1.000Edta-4 +2.000H2O = Th(OH)2Edta-2 + log_k +11.50 #03XIA/FEL + -analytic 11.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 -3.000H+ +1.000CO3-2 +3.000H2O = Th(OH)3(CO3)- + log_k -3.70 #09RAN/FUG + -analytic -37.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 -3.000H+ +2.000HGlu- +3.000H2O = Th(OH)3(HGlu)2- + log_k -4.90 #Analogy with An(IV)-ISA + -analytic -49.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 -3.000H+ +2.000HIsa- +3.000H2O = Th(OH)3(HIsa)2- + log_k -4.90 #09RAI/YUI + -analytic -49.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 -3.000H+ +3.000H2O = Th(OH)3+ + log_k -11.00 #10GRI/RIB + delta_h +125.623 #kJ/mol +# Enthalpy of formation: -1500.566 kJ/mol + -analytic 11.00820E+0 00.00000E+0 -65.61746E+2 00.00000E+0 00.00000E+0 + ++1.000Th+4 -3.000H+ +1.000Edta-4 +3.000H2O = Th(OH)3Edta-3 + log_k -4.00 #03XIA/FEL + -analytic -40.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 -4.000H+ +4.000H2O = Th(OH)4 + log_k -17.40 #09RAN/FUG + delta_h +152.688 #kJ/mol +# Enthalpy of formation: -1759.331 kJ/mol + -analytic 93.49789E-1 00.00000E+0 -79.75450E+2 00.00000E+0 00.00000E+0 + ++1.000Th+4 -4.000H+ +1.000CO3-2 +4.000H2O = Th(OH)4(CO3)-2 + log_k -15.60 #09RAN/FUG + -analytic -15.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 -4.000H+ +1.000HGlu- +4.000H2O = Th(OH)4(HGlu)- + log_k -14.70 #Analogy with An(IV)-ISA + -analytic -14.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 -4.000H+ +2.000HGlu- +4.000H2O = Th(OH)4(HGlu)2-2 + log_k -12.50 #Analogy with An(IV)-ISA + -analytic -12.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 -4.000H+ +1.000HIsa- +4.000H2O = Th(OH)4(HIsa)- + log_k -14.70 #Reevaluated from 09RAI/YUI + -analytic -14.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 -4.000H+ +2.000HIsa- +4.000H2O = Th(OH)4(HIsa)2-2 + log_k -12.50 #Reevaluated from 09RAI/YUI + -analytic -12.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +1.000Ox-2 = Th(Ox)+2 + log_k +9.70 #08SAS/TAK; 09KOB/SAS + -analytic 97.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +2.000Ox-2 = Th(Ox)2 + log_k +16.00 #08SAS/TAK; 09KOB/SAS + -analytic 16.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +3.000Ox-2 = Th(Ox)3-2 + log_k +22.20 #08SAS/TAK; 09KOB/SAS + -analytic 22.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +1.000SO4-2 = Th(SO4)+2 + log_k +6.17 #09RAN/FUG + delta_h +20.920 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -1657.120 kJ/mol + -analytic 98.35027E-1 00.00000E+0 -10.92728E+2 00.00000E+0 00.00000E+0 + ++1.000Th+4 +2.000SO4-2 = Th(SO4)2 + log_k +9.69 #09RAN/FUG + delta_h +40.380 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -2547.000 kJ/mol + -analytic 16.76427E+0 00.00000E+0 -21.09194E+2 00.00000E+0 00.00000E+0 + ++1.000Th+4 +3.000SO4-2 = Th(SO4)3-2 + log_k +10.75 #09RAN/FUG + -analytic 10.75000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +1.000Succinat-2 = Th(Succinat)+2 + log_k +8.49 #13GRI/CAM + -analytic 84.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +2.000Succinat-2 = Th(Succinat)2 + log_k +12.92 #13GRI/CAM + -analytic 12.92000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +3.000Succinat-2 = Th(Succinat)3-2 + log_k +16.62 #13GRI/CAM + -analytic 16.62000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Th+4 -2.000H+ +2.000H2O = Th2(OH)2+6 + log_k -5.90 #09RAN/FUG + delta_h +58.300 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -2050.760 kJ/mol + -analytic 43.13722E-1 00.00000E+0 -30.45221E+2 00.00000E+0 00.00000E+0 + ++2.000Th+4 -3.000H+ +3.000H2O = Th2(OH)3+5 + log_k -6.80 #09RAN/FUG + -analytic -68.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++4.000Th+4 -12.000H+ +12.000H2O = Th4(OH)12+4 + log_k -26.60 #09RAN/FUG + -analytic -26.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++4.000Th+4 -8.000H+ +8.000H2O = Th4(OH)8+8 + log_k -20.40 #09RAN/FUG + delta_h +243.000 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -5118.440 kJ/mol + -analytic 22.17177E+0 00.00000E+0 -12.69277E+3 00.00000E+0 00.00000E+0 + ++6.000Th+4 -14.000H+ +14.000H2O = Th6(OH)14+10 + log_k -36.80 #09RAN/FUG + -analytic -36.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++6.000Th+4 -15.000H+ +15.000H2O = Th6(OH)15+9 + log_k -36.80 #09RAN/FUG + delta_h +472.800 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -8426.850 kJ/mol + -analytic 46.03100E+0 00.00000E+0 -24.69606E+3 00.00000E+0 00.00000E+0 + ++1.000Th+4 +1.000Cl- = ThCl+3 + log_k +1.70 #09RAN/FUG + -analytic 17.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +1.000F- = ThF+3 + log_k +8.87 #09RAN/FUG + delta_h -0.400 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -1104.450 kJ/mol + -analytic 87.99923E-1 00.00000E+0 20.89346E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +2.000F- = ThF2+2 + log_k +15.63 #09RAN/FUG + delta_h -3.300 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -1442.700 kJ/mol + -analytic 15.05186E+0 00.00000E+0 17.23710E+1 00.00000E+0 00.00000E+0 + ++1.000Th+4 +3.000F- = ThF3+ + log_k +20.67 #09RAN/FUG + -analytic 20.67000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Th+4 +4.000F- = ThF4 + log_k +25.58 #09RAN/FUG + -analytic 25.58000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 +1.000Acetate- = U(Acetate)+3 + log_k +5.64 #12GRI/GAR2 + -analytic 56.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 +2.000Acetate- = U(Acetate)2+2 + log_k +9.81 #12GRI/GAR2 + -analytic 98.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 +4.000CO3-2 = U(CO3)4-4 + log_k +35.12 #03GUI/FAN + -analytic 35.12000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 +5.000CO3-2 = U(CO3)5-6 + log_k +34.00 #03GUI/FAN + delta_h -20.000 #kJ/mol 03GUI/FAN +# Enthalpy of formation: -3987.350 kJ/mol + -analytic 30.49615E+0 00.00000E+0 10.44673E+2 00.00000E+0 00.00000E+0 + ++1.000U+4 +1.000Edta-4 = U(Edta) + log_k +29.50 #05HUM/AND + -analytic 29.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 +1.000NO3- = U(NO3)+3 + log_k +1.47 #92GRE/FUG + -analytic 14.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 +2.000NO3- = U(NO3)2+2 + log_k +2.30 #92GRE/FUG + -analytic 23.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 +1.000Nta-3 = U(Nta)+ + log_k +20.00 #95AKR/BOU + -analytic 20.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 -1.000H+ +1.000Edta-4 +1.000H2O = U(OH)(Edta)- + log_k +22.70 #23ROD/COL + -analytic 22.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 -1.000H+ +1.000H2O = U(OH)+3 + log_k -0.54 #20GRE/GAO + delta_h +46.910 #kJ/mol +# Enthalpy of formation: -830.119 kJ/mol + -analytic 76.78279E-1 00.00000E+0 -24.50280E+2 00.00000E+0 00.00000E+0 + ++1.000U+4 -2.000H+ +2.000CO3-2 +2.000H2O = U(OH)2(CO3)2-2 + log_k +14.36 #98RAI/HES + -analytic 14.36000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 -2.000H+ +1.000Edta-4 +2.000H2O = U(OH)2(Edta)-2 + log_k +16.68 #23ROD/COL + -analytic 16.68000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 -2.000H+ +2.000H2O = U(OH)2+2 + log_k -1.90 #20GRE/GAO + delta_h +59.014 #kJ/mol +# Enthalpy of formation: -1103.845 kJ/mol + -analytic 84.38809E-1 00.00000E+0 -30.82516E+2 00.00000E+0 00.00000E+0 + ++1.000U+4 -3.000H+ +1.000Edta-4 +3.000H2O = U(OH)3(Edta)-3 + log_k +7.06 #23ROD/COL + -analytic 70.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 -3.000H+ +3.000H2O = U(OH)3+ + log_k -5.20 #20GRE/GAO + delta_h +89.407 #kJ/mol +# Enthalpy of formation: -1359.281 kJ/mol + -analytic 10.46343E+0 00.00000E+0 -46.70053E+2 00.00000E+0 00.00000E+0 + ++1.000U+4 -4.000H+ +4.000H2O = U(OH)4 + log_k -10.00 #03GUI/FAN + delta_h +109.870 #kJ/mol +# Enthalpy of formation: -1624.649 kJ/mol + -analytic 92.48398E-1 00.00000E+0 -57.38910E+2 00.00000E+0 00.00000E+0 + ++1.000U+4 -4.000H+ +1.000HGlu- +4.000H2O = U(OH)4(HGlu)- + log_k -7.60 #Analogy with An(IV)-ISA + -analytic -76.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 -4.000H+ +2.000HGlu- +4.000H2O = U(OH)4(HGlu)2-2 + log_k -5.40 #Analogy with An(IV)-ISA + -analytic -54.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 -4.000H+ +1.000HIsa- +4.000H2O = U(OH)4(HIsa)- + log_k -7.60 #19KOB/SAS + -analytic -76.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 -4.000H+ +2.000HIsa- +4.000H2O = U(OH)4(HIsa)2-2 + log_k -5.40 #19KOB/SAS + -analytic -54.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 +2.000Ox-2 = U(Ox)2 + log_k +18.63 #12GRI/GAR2 + -analytic 18.63000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 +3.000Ox-2 = U(Ox)3-2 + log_k +24.19 #12GRI/GAR2 + -analytic 24.19000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 +1.000SO4-2 = U(SO4)+2 + log_k +6.58 #92GRE/FUG + delta_h +8.000 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1492.540 kJ/mol + -analytic 79.81540E-1 00.00000E+0 -41.78691E+1 00.00000E+0 00.00000E+0 + ++1.000U+4 +2.000SO4-2 = U(SO4)2 + log_k +10.51 #92GRE/FUG + delta_h +32.700 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -2377.180 kJ/mol + -analytic 16.23879E+0 00.00000E+0 -17.08040E+2 00.00000E+0 00.00000E+0 + ++1.000U+4 +1.000Br- = UBr+3 + log_k +1.46 #92GRE/FUG + -analytic 14.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 +1.000Cl- = UCl+3 + log_k +1.72 #92GRE/FUG + delta_h -19.000 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -777.280 kJ/mol + -analytic -16.08657E-1 00.00000E+0 99.24391E+1 00.00000E+0 00.00000E+0 + ++1.000U+4 +1.000F- = UF+3 + log_k +9.42 #03GUI/FAN + delta_h -5.600 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -932.150 kJ/mol + -analytic 84.38922E-1 00.00000E+0 29.25084E+1 00.00000E+0 00.00000E+0 + ++1.000U+4 +2.000F- = UF2+2 + log_k +16.56 #03GUI/FAN + delta_h -3.500 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1265.400 kJ/mol + -analytic 15.94683E+0 00.00000E+0 18.28177E+1 00.00000E+0 00.00000E+0 + ++1.000U+4 +3.000F- = UF3+ + log_k +21.89 #03GUI/FAN + delta_h +0.500 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1596.750 kJ/mol + -analytic 21.97760E+0 00.00000E+0 -26.11682E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 +4.000F- = UF4 + log_k +26.34 #03GUI/FAN + delta_h -8.430 #kJ/mol +# Enthalpy of formation: -1941.028 kJ/mol + -analytic 24.86313E+0 00.00000E+0 44.03296E+1 00.00000E+0 00.00000E+0 + ++1.000U+4 +5.000F- = UF5- + log_k +27.73 #03GUI/FAN + delta_h -11.636 #kJ/mol +# Enthalpy of formation: -2279.584 kJ/mol + -analytic 25.69146E+0 00.00000E+0 60.77906E+1 00.00000E+0 00.00000E+0 + ++1.000U+4 +6.000F- = UF6-2 + log_k +29.80 #03GUI/FAN + -analytic 29.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000U+4 +1.000I- = UI+3 + log_k +1.25 #92GRE/FUG + -analytic 12.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000Acetate- = UO2(Acetate)+ + log_k +3.02 #11RIC/GRI + delta_h -15.894 #kJ/mol +# Enthalpy of formation: -1520.904 kJ/mol + -analytic 23.54907E-2 00.00000E+0 83.02014E+1 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +2.000Acetate- = UO2(Acetate)2 + log_k +5.20 #11RIC/GRI + delta_h -34.940 #kJ/mol +# Enthalpy of formation: -2025.960 kJ/mol + -analytic -92.12252E-2 00.00000E+0 18.25043E+2 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +3.000Acetate- = UO2(Acetate)3- + log_k +7.03 #11RIC/GRI + delta_h -65.460 #kJ/mol +# Enthalpy of formation: -2542.491 kJ/mol + -analytic -44.38100E-1 00.00000E+0 34.19214E+2 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000Cit-3 = UO2(Cit)- + log_k +8.96 #05HUM/AND + -analytic 89.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000CO3-2 = UO2(CO3) + log_k +9.94 #03GUI/FAN + delta_h +5.000 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1689.230 kJ/mol + -analytic 10.81596E+0 00.00000E+0 -26.11682E+1 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +2.000CO3-2 = UO2(CO3)2-2 + log_k +16.61 #03GUI/FAN + delta_h +18.500 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -2350.960 kJ/mol + -analytic 19.85106E+0 00.00000E+0 -96.63223E+1 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +3.000CO3-2 = UO2(CO3)3-4 + log_k +21.84 #03GUI/FAN + delta_h -39.200 #kJ/mol 03GUI/FAN +# Enthalpy of formation: -3083.890 kJ/mol + -analytic 14.97245E+0 00.00000E+0 20.47559E+2 00.00000E+0 00.00000E+0 + ++1.000UO2+ +3.000CO3-2 = UO2(CO3)3-5 + log_k +6.95 #03GUI/FAN + -analytic 69.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000Edta-4 = UO2(Edta)-2 + log_k +13.70 #05HUM/AND + -analytic 13.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +2.000H+ +1.000AsO4-3 = UO2(H2AsO4)+ + log_k +21.96 #03GUI/FAN + -analytic 21.96000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +4.000H+ +2.000AsO4-3 = UO2(H2AsO4)2 + log_k +41.53 #03GUI/FAN + -analytic 41.53000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000H+ +2.000H2(PO4)- = UO2(H2PO4)(H3PO4)+ + log_k +5.93 #92GRE/FUG + -analytic 59.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000H2(PO4)- = UO2(H2PO4)+ + log_k +3.26 #92GRE/FUG + delta_h -15.340 #kJ/mol +# Enthalpy of formation: -2336.940 kJ/mol + -analytic 57.25474E-2 00.00000E+0 80.12640E+1 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +2.000H2(PO4)- = UO2(H2PO4)2 + log_k +4.92 #92GRE/FUG + delta_h -51.871 #kJ/mol +# Enthalpy of formation: -3676.070 kJ/mol + -analytic -41.67409E-1 00.00000E+0 27.09411E+2 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000H+ +1.000H2(PO4)- = UO2(H3PO4)+2 + log_k +2.90 #92GRE/FUG + -analytic 29.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000H+ +1.000AsO4-3 = UO2(HAsO4) + log_k +18.76 #03GUI/FAN + -analytic 18.76000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000H+ +1.000Cit-3 = UO2(HCit) + log_k +11.36 #05HUM/AND + -analytic 11.36000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000H+ +1.000Edta-4 = UO2(HEdta)- + log_k +19.61 #05HUM/AND + -analytic 19.61000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000HGlu- = UO2(HGlu)+ + log_k +2.59 #09ZHA/HEL + -analytic 25.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000HIsa- = UO2(HIsa)+ + log_k +3.70 #04RAO/GAR + -analytic 37.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +2.000HIsa- = UO2(HIsa)2 + log_k +6.60 #04RAO/GAR + -analytic 66.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +3.000HIsa- = UO2(HIsa)3- + log_k +8.50 #04RAO/GAR + -analytic 85.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000H+ +1.000Nta-3 = UO2(HNta) + log_k +14.50 #06DES/GIA + -analytic 14.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 -1.000H+ +1.000H2(PO4)- = UO2(HPO4) + log_k +0.03 #92GRE/FUG + delta_h +2.783 #kJ/mol +# Enthalpy of formation: -2318.816 kJ/mol + -analytic 51.75607E-2 00.00000E+0 -14.53662E+1 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +2.000H+ +2.000SeO3-2 = UO2(HSeO3)2 + log_k +22.23 #20GRE/GAO + -analytic 22.23000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 -12.000H+ -12.000e- +2.000I- +6.000H2O = UO2(IO3)2 + log_k -219.54 #92GRE/FUG + -analytic -21.95400E+1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000NO3- = UO2(NO3)+ + log_k -0.19 #20GRE/GAO + delta_h +20.900 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1204.950 kJ/mol + -analytic 34.71523E-1 00.00000E+0 -10.91683E+2 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000Nta-3 = UO2(Nta)- + log_k +10.15 #06DES/GIA + -analytic 10.15000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 -1.000H+ +1.000HGlu- +1.000H2O = UO2(OH)(HGlu) + log_k +0.20 #09ZHA/HEL + -analytic 20.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 -1.000H+ +1.000Ox-2 +1.000H2O = UO2(OH)(Ox)- + log_k +0.63 #56GRI/PTI + -analytic 63.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 -1.000H+ +1.000H2O = UO2(OH)+ + log_k -5.25 #03GUI/FAN + delta_h +43.300 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1261.530 kJ/mol + -analytic 23.35834E-1 00.00000E+0 -22.61717E+2 00.00000E+0 00.00000E+0 + ++1.000UO2+2 -2.000H+ +2.000H2O = UO2(OH)2 + log_k -12.15 #03GUI/FAN + delta_h +76.821 #kJ/mol +# Enthalpy of formation: -1513.839 kJ/mol + -analytic 13.08461E-1 00.00000E+0 -40.12640E+2 00.00000E+0 00.00000E+0 + ++1.000UO2+2 -3.000H+ +3.000H2O = UO2(OH)3- + log_k -20.25 #03GUI/FAN + delta_h +113.757 #kJ/mol +# Enthalpy of formation: -1762.732 kJ/mol + -analytic -32.06291E-2 00.00000E+0 -59.41942E+2 00.00000E+0 00.00000E+0 + ++1.000UO2+2 -3.000H+ +2.000HIsa- +3.000H2O = UO2(OH)3(HIsa)2-3 + log_k -14.50 #19KOB/SAS + -analytic -14.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 -4.000H+ +4.000H2O = UO2(OH)4-2 + log_k -32.40 #03GUI/FAN + delta_h +164.152 #kJ/mol +# Enthalpy of formation: -1998.167 kJ/mol + -analytic -36.41804E-1 00.00000E+0 -85.74256E+2 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000Ox-2 = UO2(Ox) + log_k +7.13 #05HUM/AND + delta_h +25.360 #kJ/mol +# Enthalpy of formation: -1824.300 kJ/mol 05HUM/AND + -analytic 11.57288E+0 00.00000E+0 -13.24645E+2 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +2.000Ox-2 = UO2(Ox)2-2 + log_k +11.65 #05HUM/AND + -analytic 11.65000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +3.000Ox-2 = UO2(Ox)3-4 + log_k +13.80 #05HUM/AND + -analytic 13.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000Phthalat-2 = UO2(Phthalat) + log_k +5.56 #11GRI/COL2 + -analytic 55.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 -2.000H+ +1.000H2(PO4)- = UO2(PO4)- + log_k -8.55 #20GRE/GAO + -analytic -85.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000S2O3-2 = UO2(S2O3) + log_k +2.80 #92GRE/FUG + -analytic 28.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000SeO4-2 = UO2(SeO4) + log_k +2.93 #20GRE/GAO + delta_h +20.000 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1602.500 kJ/mol + -analytic 64.33850E-1 00.00000E+0 -10.44673E+2 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +2.000SeO4-2 = UO2(SeO4)2-2 + log_k +4.03 #20GRE/GAO + delta_h +31.000 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2195.000 kJ/mol + -analytic 94.60967E-1 00.00000E+0 -16.19243E+2 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000SO3-2 = UO2(SO3) + log_k +6.60 #92GRE/FUG + -analytic 66.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000SO4-2 = UO2(SO4) + log_k +3.15 #20GRE/GAO + delta_h +19.500 #kJ/mol 03GUI/FAN +# Enthalpy of formation: -1908.840 kJ/mol + -analytic 65.66253E-1 00.00000E+0 -10.18556E+2 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +2.000SO4-2 = UO2(SO4)2-2 + log_k +4.14 #20GRE/GAO + delta_h +35.100 #kJ/mol 03GUI/FAN +# Enthalpy of formation: -2802.580 kJ/mol + -analytic 10.28926E+0 00.00000E+0 -18.33401E+2 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +3.000SO4-2 = UO2(SO4)3-4 + log_k +3.02 #03GUI/FAN + -analytic 30.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000Succinat-2 = UO2(Succinat) + log_k +5.28 #13GRI/CAM + -analytic 52.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000Br- = UO2Br+ + log_k +0.22 #92GRE/FUG + -analytic 22.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000Cl- = UO2Cl+ + log_k +0.17 #92GRE/FUG + delta_h +8.000 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1178.080 kJ/mol + -analytic 15.71540E-1 00.00000E+0 -41.78691E+1 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +2.000Cl- = UO2Cl2 + log_k -1.10 #92GRE/FUG + delta_h +15.000 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1338.160 kJ/mol + -analytic 15.27887E-1 00.00000E+0 -78.35046E+1 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000CO3-2 +1.000F- = UO2CO3F- + log_k +13.70 #03GUI/FAN + -analytic 13.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000CO3-2 +2.000F- = UO2CO3F2-2 + log_k +15.57 #03GUI/FAN + -analytic 15.57000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000CO3-2 +3.000F- = UO2CO3F3-3 + log_k +16.38 #03GUI/FAN + -analytic 16.38000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000F- = UO2F+ + log_k +5.16 #03GUI/FAN + delta_h -0.540 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1354.890 kJ/mol + -analytic 50.65396E-1 00.00000E+0 28.20616E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +2.000F- = UO2F2 + log_k +8.83 #03GUI/FAN + delta_h -1.340 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1691.040 kJ/mol + -analytic 85.95242E-1 00.00000E+0 69.99307E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +3.000F- = UO2F3- + log_k +10.90 #03GUI/FAN + delta_h -1.180 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2026.230 kJ/mol + -analytic 10.69327E+0 00.00000E+0 61.63569E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +4.000F- = UO2F4-2 + log_k +11.84 #03GUI/FAN + delta_h -2.120 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2362.520 kJ/mol + -analytic 11.46859E+0 00.00000E+0 11.07353E+1 00.00000E+0 00.00000E+0 + ++1.000UO2+2 +1.000H+ +1.000SeO3-2 = UO2HSeO3+ + log_k +11.63 #20GRE/GAO + -analytic 11.63000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000UO2+2 -6.000H+ -6.000e- +1.000I- +3.000H2O = UO2IO3+ + log_k -109.56 #92GRE/FUG + delta_h +704.370 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1228.900 kJ/mol + -analytic 13.84033E+0 00.00000E+0 -36.79181E+3 00.00000E+0 00.00000E+0 + ++1.000UO2+2 -1.000H+ +1.000H4(SiO4) = UO2SiO(OH)3+ + log_k -1.88 #20GRE/GAO + delta_h +40.000 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2440.194 kJ/mol + -analytic 51.27699E-1 00.00000E+0 -20.89346E+2 00.00000E+0 00.00000E+0 + ++1.000U+4 +1.000Ox-2 = UOx+2 + log_k +10.67 #12GRI/GAR2 + -analytic 10.67000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000Zn+2 +1.000SeO4-2 = Zn(SeO4) + log_k +2.16 #05OLI/NOL + delta_h +4.600 #kJ/mol 05OLI/NOL +# Enthalpy of formation: -752.290 kJ/mol + -analytic 29.65885E-1 00.00000E+0 -24.02747E+1 00.00000E+0 00.00000E+0 + ++4.000CO3-2 +1.000Zr+4 = Zr(CO3)4-4 + log_k +42.90 #05BRO/CUR + -analytic 42.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000NO3- +1.000Zr+4 = Zr(NO3)2+2 + log_k +2.64 #05BRO/CUR + -analytic 26.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-1.000H+ +1.000Zr+4 +1.000H2O = Zr(OH)+3 + log_k +0.32 #05BRO/CUR + -analytic 32.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-2.000H+ +1.000Zr+4 +2.000H2O = Zr(OH)2+2 + log_k +0.98 #05BRO/CUR + -analytic 98.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-4.000H+ +1.000Zr+4 +4.000H2O = Zr(OH)4 + log_k -2.19 #05BRO/CUR + -analytic -21.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-6.000H+ +1.000Zr+4 +6.000H2O = Zr(OH)6-2 + log_k -29.00 #05BRO/CUR + -analytic -29.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000SO4-2 +1.000Zr+4 = Zr(SO4)2 + log_k +11.54 #05BRO/CUR + delta_h +67.380 #kJ/mol +# Enthalpy of formation: -2359.800 kJ/mol 05BRO/CUR + -analytic 23.34447E+0 00.00000E+0 -35.19503E+2 00.00000E+0 00.00000E+0 + ++3.000SO4-2 +1.000Zr+4 = Zr(SO4)3-2 + log_k +14.30 #05BRO/CUR + -analytic 14.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-4.000H+ +3.000Zr+4 +4.000H2O = Zr3(OH)4+8 + log_k +0.40 #05BRO/CUR + delta_h -1.980 #kJ/mol +# Enthalpy of formation: -2970.800 kJ/mol 05BRO/CUR + -analytic 53.11889E-3 00.00000E+0 10.34226E+1 00.00000E+0 00.00000E+0 + +-15.000H+ +4.000Zr+4 +15.000H2O = Zr4(OH)15+ + log_k +12.58 #05BRO/CUR + -analytic 12.58000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +-16.000H+ +4.000Zr+4 +16.000H2O = Zr4(OH)16 + log_k +8.39 #05BRO/CUR + delta_h +301.120 #kJ/mol +# Enthalpy of formation: -6706.160 kJ/mol 05BRO/CUR + -analytic 61.14396E+0 00.00000E+0 -15.72859E+3 00.00000E+0 00.00000E+0 + ++1.000Cl- +1.000Zr+4 = ZrCl+3 + log_k +1.59 #05BRO/CUR + -analytic 15.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++2.000Cl- +1.000Zr+4 = ZrCl2+2 + log_k +2.17 #05BRO/CUR + -analytic 21.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000F- +1.000Zr+4 = ZrF+3 + log_k +10.12 #05BRO/CUR + delta_h -17.500 #kJ/mol 05BRO/CUR +# Enthalpy of formation: -961.350 kJ/mol + -analytic 70.54132E-1 00.00000E+0 91.40887E+1 00.00000E+0 00.00000E+0 + ++2.000F- +1.000Zr+4 = ZrF2+2 + log_k +18.55 #05BRO/CUR + delta_h -16.800 #kJ/mol 05BRO/CUR +# Enthalpy of formation: -1296.000 kJ/mol + -analytic 15.60677E+0 00.00000E+0 87.75251E+1 00.00000E+0 00.00000E+0 + ++3.000F- +1.000Zr+4 = ZrF3+ + log_k +24.72 #05BRO/CUR + delta_h -11.200 #kJ/mol 05BRO/CUR +# Enthalpy of formation: -1625.750 kJ/mol + -analytic 22.75784E+0 00.00000E+0 58.50167E+1 00.00000E+0 00.00000E+0 + ++4.000F- +1.000Zr+4 = ZrF4 + log_k +30.11 #05BRO/CUR + delta_h -22.000 #kJ/mol 05BRO/CUR +# Enthalpy of formation: -1971.900 kJ/mol + -analytic 26.25577E+0 00.00000E+0 11.49140E+2 00.00000E+0 00.00000E+0 + ++5.000F- +1.000Zr+4 = ZrF5- + log_k +34.60 #05BRO/CUR + -analytic 34.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++6.000F- +1.000Zr+4 = ZrF6-2 + log_k +38.11 #05BRO/CUR + -analytic 38.11000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000NO3- +1.000Zr+4 = ZrNO3+3 + log_k +1.59 #05BRO/CUR + -analytic 15.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + ++1.000SO4-2 +1.000Zr+4 = ZrSO4+2 + log_k +7.04 #05BRO/CUR + delta_h +36.940 #kJ/mol +# Enthalpy of formation: -1480.900 kJ/mol 05BRO/CUR + -analytic 13.51161E+0 00.00000E+0 -19.29511E+2 00.00000E+0 00.00000E+0 +PHASES +(HgOH)3PO4(s) +(HgOH)3PO4 = -5.000H+ +1.000H2(PO4)- +3.000H2O +3.000Hg+2 + log_k -3.80 #05POW/BRO + -analytic -38.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 -PHASES +(NH4)4NpO2(CO3)3(cr) +(NH4)4NpO2(CO3)3 = +1.000NpO2+2 +4.000H+ +3.000CO3-2 +4.000NH3 + log_k -64.30 #20GRE/GAO + -analytic -64.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +(PuO2)3(PO4)2:4H2O(am) +(PuO2)3(PO4)2:4H2O = +3.000PuO2+2 -4.000H+ +2.000H2(PO4)- +4.000H2O + log_k -9.85 #20GRE/GAO + -analytic -98.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 (UO2)2(As2O7)(cr) -(UO2)2(As2O7) = 2.000UO2+2 + 2.000H+ + 2.000AsO4-3 - 1.000H2O - log_k -29.010 - delta_h -102.450 #kJ/mol - # Enthalpy of formation: -3426 #kJ/mol #92GRE/FUG - -analytic -4.69584E+1 0E+0 5.35133E+3 0E+0 0E+0 +(UO2)2(As2O7) = +2.000UO2+2 +2.000H+ +2.000AsO4-3 -1.000H2O + log_k -29.01 + delta_h -102.450 #kJ/mol +# Enthalpy of formation: -3426.000 kJ/mol 92GRE/FUG + -analytic -46.95847E+0 00.00000E+0 53.51336E+2 00.00000E+0 00.00000E+0 (UO2)3(AsO4)2(cr) -(UO2)3(AsO4)2 = 3.000UO2+2 + 2.000AsO4-3 - log_k -27.400 - delta_h -143.880 #kJ/mol - # Enthalpy of formation: -4689.4 #kJ/mol #92GRE/FUG - -analytic -5.26067E+1 0E+0 7.51536E+3 0E+0 0E+0 +(UO2)3(AsO4)2 = +3.000UO2+2 +2.000AsO4-3 + log_k -27.40 + delta_h -143.880 #kJ/mol +# Enthalpy of formation: -4689.400 kJ/mol 92GRE/FUG + -analytic -52.60669E+0 00.00000E+0 75.15376E+2 00.00000E+0 00.00000E+0 (UO2)3(PO4)2(cr) -(UO2)3(PO4)2 = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)- - log_k 2.800 - delta_h -170.900 #kJ/mol - # Enthalpy of formation: -5491.3 #kJ/mol #92GRE/FUG - -analytic -2.71404E+1 0E+0 8.92672E+3 0E+0 0E+0 +(UO2)3(PO4)2 = +3.000UO2+2 -4.000H+ +2.000H2(PO4)- + log_k +2.80 + delta_h -170.900 #kJ/mol +# Enthalpy of formation: -5491.300 kJ/mol 92GRE/FUG + -analytic -27.14039E+0 00.00000E+0 89.26729E+2 00.00000E+0 00.00000E+0 (UO2)3(PO4)2:4H2O(cr) -(UO2)3(PO4)2:4H2O = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)- + 4.000H2O - log_k -14.150 #92SAN/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.415E+1 0E+0 0E+0 0E+0 0E+0 +(UO2)3(PO4)2:4H2O = +3.000UO2+2 -4.000H+ +2.000H2(PO4)- +4.000H2O + log_k -10.24 #20GRE/GAO + -analytic -10.24000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 (UO2)3(PO4)2:6H2O(s) -(UO2)3(PO4)2:6H2O = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)- + 6.000H2O - log_k -10.200 - delta_h -48.780 #kJ/mol - # Enthalpy of formation: -7328.4 #kJ/mol #03GUI/FAN - -analytic -1.87459E+1 0E+0 2.54795E+3 0E+0 0E+0 +(UO2)3(PO4)2:6H2O = +3.000UO2+2 -4.000H+ +2.000H2(PO4)- +6.000H2O + log_k -10.20 + delta_h -48.780 #kJ/mol +# Enthalpy of formation: -7328.400 kJ/mol 03GUI/FAN + -analytic -18.74589E+0 00.00000E+0 25.47957E+2 00.00000E+0 00.00000E+0 Acanthite -Ag2S = 2.000Ag+ - 1.000H+ + 1.000HS- - log_k -36.070 - delta_h 224.768 #kJ/mol - # Enthalpy of formation: -29.488 #kJ/mol - -analytic 3.30761E+0 0E+0 -1.17404E+4 0E+0 0E+0 +Ag2S = +2.000Ag+ -1.000H+ +1.000HS- + log_k -36.07 + delta_h +224.768 #kJ/mol +# Enthalpy of formation: -29.488 kJ/mol + -analytic 33.07663E-1 00.00000E+0 -11.74045E+3 00.00000E+0 00.00000E+0 Acmite -NaFeSi2O6 = 1.000Na+ + 1.000Fe+3 - 4.000H+ + 2.000H4(SiO4) - 2.000H2O - log_k 0.920 - delta_h -55.568 #kJ/mol - # Enthalpy of formation: -2584.5 #kJ/mol #95ROB/HEM - -analytic -8.81508E+0 0E+0 2.90251E+3 0E+0 0E+0 +NaFeSi2O6 = +1.000Na+ +1.000Fe+3 -4.000H+ +2.000H4(SiO4) -2.000H2O + log_k +0.89 + delta_h -56.624 #kJ/mol +# Enthalpy of formation: -2584.500 kJ/mol 95ROB/HEM + -analytic -90.30099E-1 00.00000E+0 29.57678E+2 00.00000E+0 00.00000E+0 + -Vm 64.600 Afwillite -Ca3Si2O4(OH)6 = 3.000Ca+2 - 6.000H+ + 2.000H4(SiO4) + 2.000H2O - log_k 49.420 #10BLA/BOU1 - delta_h -269.228 #kJ/mol - # Enthalpy of formation: -4853.82 #kJ/mol #10BLA/BOU1 - -analytic 2.25335E+0 0E+0 1.40627E+4 0E+0 0E+0 +Ca3Si2O4(OH)6 = +3.000Ca+2 -6.000H+ +2.000H4(SiO4) +2.000H2O + log_k +49.42 #10BLA/BOU1 + delta_h -269.228 #kJ/mol +# Enthalpy of formation: -4853.820 kJ/mol 10BLA/BOU1 + -analytic 22.53279E-1 00.00000E+0 14.06276E+3 00.00000E+0 00.00000E+0 + -Vm 129.530 + +Ag(cr) +Ag = +1.000Ag+ +1.000e- + log_k -13.51 + delta_h +105.790 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 95SIL/BID + -analytic 50.23612E-1 00.00000E+0 -55.25797E+2 00.00000E+0 00.00000E+0 Ag(OH)(s) -Ag(OH) = 1.000Ag+ - 1.000H+ + 1.000H2O - log_k 6.300 #76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.3E+0 0E+0 0E+0 0E+0 0E+0 - -Ag(SeCn)(cr) -Ag(SeCn) = 1.000Ag+ + 1.000H+ + 1.000Cn- + 1.000HSe- - 1.000H2O + 0.500O2 - log_k -70.020 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.002E+1 0E+0 0E+0 0E+0 0E+0 - -Ag(s) -Ag = 1.000Ag+ + 0.500H2O - 1.000H+ - 0.250O2 - log_k 7.985 - delta_h -34.092 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #95SIL/BID - -analytic 2.01243E+0 0E+0 1.78072E+3 0E+0 0E+0 +Ag(OH) = +1.000Ag+ -1.000H+ +1.000H2O + log_k +6.30 #76BAE/MES + -analytic 63.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Ag2(CO3)(s) -Ag2(CO3) = 2.000Ag+ + 1.000CO3-2 - log_k -11.050 - delta_h 42.073 #kJ/mol - # Enthalpy of formation: -505.723 #kJ/mol - -analytic -3.67914E+0 0E+0 -2.19762E+3 0E+0 0E+0 +Ag2(CO3) = +2.000Ag+ +1.000CO3-2 + log_k -11.05 + delta_h +42.072 #kJ/mol +# Enthalpy of formation: -505.723 kJ/mol + -analytic -36.79302E-1 00.00000E+0 -21.97574E+2 00.00000E+0 00.00000E+0 Ag2(MoO4)(s) -Ag2(MoO4) = 2.000Ag+ + 1.000MoO4-2 - log_k -11.460 - delta_h 55.354 #kJ/mol - # Enthalpy of formation: -840.774 #kJ/mol - -analytic -1.76241E+0 0E+0 -2.89134E+3 0E+0 0E+0 - -Ag2(SO4)(s) -Ag2(SO4) = 2.000Ag+ + 1.000SO4-2 - log_k -5.010 - delta_h 18.162 #kJ/mol - # Enthalpy of formation: -715.922 #kJ/mol - -analytic -1.82816E+0 0E+0 -9.48666E+2 0E+0 0E+0 +Ag2(MoO4) = +2.000Ag+ +1.000MoO4-2 + log_k -11.46 + delta_h +55.324 #kJ/mol +# Enthalpy of formation: -840.744 kJ/mol + -analytic -17.67651E-1 00.00000E+0 -28.89774E+2 00.00000E+0 00.00000E+0 Ag2(SeO3)(s) -Ag2(SeO3) = 2.000Ag+ + 1.000SeO3-2 - log_k -15.800 #05OLI/NOL - delta_h 67.860 #kJ/mol - # Enthalpy of formation: -363.44 #kJ/mol #05OLI/NOL - -analytic -3.91146E+0 0E+0 -3.54457E+3 0E+0 0E+0 +Ag2(SeO3) = +2.000Ag+ +1.000SeO3-2 + log_k -15.80 #05OLI/NOL + delta_h +67.860 #kJ/mol +# Enthalpy of formation: -363.440 kJ/mol 05OLI/NOL + -analytic -39.11438E-1 00.00000E+0 -35.44575E+2 00.00000E+0 00.00000E+0 Ag2(SeO4)(s) -Ag2(SeO4) = 2.000Ag+ + 1.000SeO4-2 - log_k -7.860 #05OLI/NOL - delta_h 30.590 #kJ/mol - # Enthalpy of formation: -422.51 #kJ/mol #05OLI/NOL - -analytic -2.50087E+0 0E+0 -1.59782E+3 0E+0 0E+0 +Ag2(SeO4) = +2.000Ag+ +1.000SeO4-2 + log_k -7.86 #05OLI/NOL + delta_h +30.590 #kJ/mol +# Enthalpy of formation: -422.510 kJ/mol 05OLI/NOL + -analytic -25.00862E-1 00.00000E+0 -15.97827E+2 00.00000E+0 00.00000E+0 + +Ag2(SO4)(s) +Ag2(SO4) = +2.000Ag+ +1.000SO4-2 + log_k -5.01 + delta_h +18.163 #kJ/mol +# Enthalpy of formation: -715.922 kJ/mol + -analytic -18.27979E-1 00.00000E+0 -94.87196E+1 00.00000E+0 00.00000E+0 Ag2Se(alfa) -Ag2Se = 2.000Ag+ - 1.000H+ + 1.000HSe- - log_k -42.850 - delta_h 266.009 #kJ/mol - # Enthalpy of formation: -40.129 #kJ/mol - -analytic 3.75271E+0 0E+0 -1.38946E+4 0E+0 0E+0 +Ag2Se = +2.000Ag+ -1.000H+ +1.000HSe- + log_k -42.85 + delta_h +266.009 #kJ/mol +# Enthalpy of formation: -40.129 kJ/mol + -analytic 37.52776E-1 00.00000E+0 -13.89462E+3 00.00000E+0 00.00000E+0 Ag3(PO4)(s) -Ag3(PO4) = 3.000Ag+ - 2.000H+ + 1.000H2(PO4)- - log_k 2.010 #03BÖT in 76SMI/MAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.01E+0 0E+0 0E+0 0E+0 0E+0 +Ag3(PO4) = +3.000Ag+ -2.000H+ +1.000H2(PO4)- + log_k +2.01 #03BÖT in 76SMI/MAR + -analytic 20.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 AgBr(s) -AgBr = 1.000Ag+ + 1.000Br- - log_k -12.290 - delta_h 84.725 #kJ/mol - # Enthalpy of formation: -100.345 #kJ/mol - -analytic 2.55316E+0 0E+0 -4.42549E+3 0E+0 0E+0 +AgBr = +1.000Ag+ +1.000Br- + log_k -12.29 + delta_h +84.726 #kJ/mol +# Enthalpy of formation: -100.345 kJ/mol + -analytic 25.53358E-1 00.00000E+0 -44.25547E+2 00.00000E+0 00.00000E+0 AgCl(cr) -AgCl = 1.000Ag+ + 1.000Cl- - log_k -9.750 - delta_h 65.720 #kJ/mol - # Enthalpy of formation: -127.01 #kJ/mol #92GRE/FUG - -analytic 1.76363E+0 0E+0 -3.43279E+3 0E+0 0E+0 +AgCl = +1.000Ag+ +1.000Cl- + log_k -9.75 + delta_h +65.720 #kJ/mol +# Enthalpy of formation: -127.010 kJ/mol 92GRE/FUG + -analytic 17.63650E-1 00.00000E+0 -34.32795E+2 00.00000E+0 00.00000E+0 AgI(s) -AgI = 1.000Ag+ + 1.000I- - log_k -16.040 - delta_h 110.764 #kJ/mol - # Enthalpy of formation: -61.754 #kJ/mol - -analytic 3.36499E+0 0E+0 -5.7856E+3 0E+0 0E+0 +AgI = +1.000Ag+ +1.000I- + log_k -16.04 + delta_h +110.764 #kJ/mol +# Enthalpy of formation: -61.754 kJ/mol + -analytic 33.65020E-1 00.00000E+0 -57.85607E+2 00.00000E+0 00.00000E+0 + +Al(cr) +Al = +1.000Al+3 +3.000e- + log_k +85.43 + delta_h -538.400 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 95POK/HEL + -analytic -88.93631E-1 00.00000E+0 28.12259E+3 00.00000E+0 00.00000E+0 Al(PO4)(cr) -Al(PO4) = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)- - log_k -2.940 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1822.8 #kJ/mol - -analytic -2.94E+0 0E+0 0E+0 0E+0 0E+0 +Al(PO4) = +1.000Al+3 -2.000H+ +1.000H2(PO4)- + log_k -3.62 + delta_h -18.200 #kJ/mol +# Enthalpy of formation: -1822.800 kJ/mol 03-91 MINTEQL-PSI + -analytic -68.08503E-1 00.00000E+0 95.06522E+1 00.00000E+0 00.00000E+0 Al(PO4):2H2O(s) -Al(PO4):2H2O = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)- + 2.000H2O - log_k -2.510 #620BRG91.025 ANDRA 21.10.94 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.51E+0 0E+0 0E+0 0E+0 0E+0 - -Al(s) -Al = 1.000Al+3 + 1.500H2O - 3.000H+ - 0.750O2 - log_k 149.915 - delta_h -958.045 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #95POK/HEL - -analytic -1.79269E+1 0E+0 5.00421E+4 0E+0 0E+0 - -Al2(OH)(PO4)2(s) -Al2(OH)(PO4)2 = 2.000Al+3 - 4.000H+ + 2.000H2(PO4)- + 0.500H2O + 0.250O2 - log_k -37.375 #620BRG91.025 ANDRA 21.10.94 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.7375E+1 0E+0 0E+0 0E+0 0E+0 +Al(PO4):2H2O = +1.000Al+3 -2.000H+ +1.000H2(PO4)- +2.000H2O + log_k -2.51 #620BRG91.025 ANDRA 21.10.94 + -analytic -25.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Alabandite -MnS = 1.000Mn+2 - 1.000H+ + 1.000HS- - log_k 0.900 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9E-1 0E+0 0E+0 0E+0 0E+0 +MnS = +1.000Mn+2 -1.000H+ +1.000HS- + log_k +0.90 #88CHA/NEW + -analytic 90.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Alamosite -PbSiO3 = 1.000Pb+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O - log_k 6.170 - delta_h -29.451 #kJ/mol - # Enthalpy of formation: -1144.993 #kJ/mol #98CHA - -analytic 1.01041E+0 0E+0 1.53833E+3 0E+0 0E+0 +PbSiO3 = +1.000Pb+2 -2.000H+ +1.000H4(SiO4) -1.000H2O + log_k +6.17 + delta_h -29.451 #kJ/mol +# Enthalpy of formation: -1144.993 kJ/mol 98CHA + -analytic 10.10406E-1 00.00000E+0 15.38333E+2 00.00000E+0 00.00000E+0 Albite-high -NaAlSi3O8 = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O - log_k 4.140 - delta_h -95.623 #kJ/mol - # Enthalpy of formation: -3923.38 #kJ/mol #99ARN/STE - -analytic -1.26124E+1 0E+0 4.99473E+3 0E+0 0E+0 +NaAlSi3O8 = +1.000Na+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -4.000H2O + log_k +4.14 + delta_h -95.622 #kJ/mol +# Enthalpy of formation: -3923.380 kJ/mol 99ARN/STE + -analytic -12.61226E+0 00.00000E+0 49.94685E+2 00.00000E+0 00.00000E+0 Albite-low -NaAlSi3O8 = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O - log_k 2.740 - delta_h -82.813 #kJ/mol - # Enthalpy of formation: -3936.19 #kJ/mol #99ARN/STE - -analytic -1.17682E+1 0E+0 4.32562E+3 0E+0 0E+0 - -Am(CO3)(OH)(am) -Am(CO3)(OH) = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.000H2O - log_k -6.200 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.2E+0 0E+0 0E+0 0E+0 0E+0 - -Am(CO3)(OH)(cr) -Am(CO3)(OH) = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.000H2O - log_k -11.510 - delta_h -25.260 #kJ/mol - # Enthalpy of formation: -1552.5 #kJ/mol #05ROR/FUG - -analytic -1.59354E+1 0E+0 1.31942E+3 0E+0 0E+0 - -Am(CO3)(OH):0.5H2O(cr) -Am(CO3)(OH):0.5H2O = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.500H2O - log_k -8.400 #03GUI/FAN - delta_h -37.775 #kJ/mol - # Enthalpy of formation: -1682.9 #kJ/mol #03GUI/FAN - -analytic -1.50179E+1 0E+0 1.97312E+3 0E+0 0E+0 - -Am(CO3)2Na:5H2O(s) -Am(CO3)2Na:5H2O = 1.000Na+ + 1.000Am+3 + 2.000CO3-2 + 5.000H2O - log_k -21.000 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0 +NaAlSi3O8 = +1.000Na+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -4.000H2O + log_k +2.74 + delta_h -82.812 #kJ/mol +# Enthalpy of formation: -3936.190 kJ/mol 99ARN/STE + -analytic -11.76804E+0 00.00000E+0 43.25572E+2 00.00000E+0 00.00000E+0 + -Vm 100.070 + +Am(cr) +Am = +1.000Am+3 +3.000e- + log_k +104.89 + delta_h -616.700 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 95SIL/BID + -analytic -31.51202E-1 00.00000E+0 32.21248E+3 00.00000E+0 00.00000E+0 Am(OH)3(am) -Am(OH)3 = - 3.000H+ + 1.000Am+3 + 3.000H2O - log_k 16.900 #03GUI/FAN, 83RAI/STR, 83EDE/BUC, 85NIT/EDE - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.69E+1 0E+0 0E+0 0E+0 0E+0 +Am(OH)3 = -3.000H+ +1.000Am+3 +3.000H2O + log_k +16.90 #03GUI/FAN, 83RAI/STR, 83EDE/BUC, 85NIT/EDE + -analytic 16.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Am(OH)3(cr) -Am(OH)3 = - 3.000H+ + 1.000Am+3 + 3.000H2O - log_k 15.600 #03GUI/FAN, 82SIL, 88STA/KIM1 - delta_h -120.992 #kJ/mol - # Enthalpy of formation: -1353.2 #kJ/mol - -analytic -5.59686E+0 0E+0 6.31984E+3 0E+0 0E+0 - -Am(PO4):xH2O(am) -Am(PO4) = - 2.000H+ + 1.000Am+3 + 1.000H2(PO4)- - log_k -5.230 #95SIL/BID - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.23E+0 0E+0 0E+0 0E+0 0E+0 - -Am(cr) -Am = 1.000Am+3 + 1.500H2O - 3.000H+ - 0.750O2 - log_k 169.375 - delta_h -1036.345 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #95SIL/BID - -analytic -1.21845E+1 0E+0 5.4132E+4 0E+0 0E+0 - -Am2(CO3)3(cr) -Am2(CO3)3 = 2.000Am+3 + 3.000CO3-2 - log_k -33.400 #95SIL/BID - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.34E+1 0E+0 0E+0 0E+0 0E+0 +Am(OH)3 = -3.000H+ +1.000Am+3 +3.000H2O + log_k +15.60 #03GUI/FAN, 82SIL, 88STA/KIM1 + delta_h -120.992 #kJ/mol +# Enthalpy of formation: -1353.198 kJ/mol + -analytic -55.96889E-1 00.00000E+0 63.19852E+2 00.00000E+0 00.00000E+0 + +Am(PO4):0.5H2O(am) +Am(PO4):0.5H2O = -2.000H+ +1.000Am+3 +1.000H2(PO4)- +0.500H2O + log_k -5.23 #95SIL/BID + -analytic -52.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Am2(CO3)3(s) +Am2(CO3)3 = +2.000Am+3 +3.000CO3-2 + log_k -33.40 #03GUI/FAN + -analytic -33.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Am2O3(cr) -Am2O3 = - 6.000H+ + 2.000Am+3 + 3.000H2O - log_k 53.150 - delta_h -400.490 #kJ/mol - # Enthalpy of formation: -1690.4 #kJ/mol #95SIL/BID - -analytic -1.70127E+1 0E+0 2.0919E+4 0E+0 0E+0 +Am2O3 = -6.000H+ +2.000Am+3 +3.000H2O + log_k +53.12 + delta_h -400.490 #kJ/mol +# Enthalpy of formation: -1690.400 kJ/mol 95SIL/BID + -analytic -17.04284E+0 00.00000E+0 20.91905E+3 00.00000E+0 00.00000E+0 AmBr3(cr) -AmBr3 = 1.000Am+3 + 3.000Br- - log_k 23.930 - delta_h -176.930 #kJ/mol - # Enthalpy of formation: -804 #kJ/mol #03GUI/FAN - -analytic -7.06676E+0 0E+0 9.24168E+3 0E+0 0E+0 +AmBr3 = +1.000Am+3 +3.000Br- + log_k +23.93 + delta_h -176.930 #kJ/mol +# Enthalpy of formation: -804.000 kJ/mol 03GUI/FAN + -analytic -70.66805E-1 00.00000E+0 92.41698E+2 00.00000E+0 00.00000E+0 AmCl3(cr) -AmCl3 = 1.000Am+3 + 3.000Cl- - log_k 15.280 - delta_h -140.140 #kJ/mol - # Enthalpy of formation: -977.8 #kJ/mol #95SIL/BID - -analytic -9.27144E+0 0E+0 7.32001E+3 0E+0 0E+0 +AmCl3 = +1.000Am+3 +3.000Cl- + log_k +15.29 + delta_h -140.140 #kJ/mol +# Enthalpy of formation: -977.800 kJ/mol 95SIL/BID + -analytic -92.61474E-1 00.00000E+0 73.20022E+2 00.00000E+0 00.00000E+0 AmCl6Cs2Na(cr) -AmCl6Cs2Na = 1.000Na+ + 2.000Cs+ + 1.000Am+3 + 6.000Cl- - log_k 12.560 - delta_h -59.720 #kJ/mol - # Enthalpy of formation: -2315.8 #kJ/mol #03GUI/FAN - -analytic 2.09752E+0 0E+0 3.11939E+3 0E+0 0E+0 +AmCl6Cs2Na = +1.000Na+ +2.000Cs+ +1.000Am+3 +6.000Cl- + log_k +12.56 + delta_h -59.720 #kJ/mol +# Enthalpy of formation: -2315.800 kJ/mol 03GUI/FAN + -analytic 20.97505E-1 00.00000E+0 31.19393E+2 00.00000E+0 00.00000E+0 + +AmCO3OH(cr) +Am(CO3)(OH) = -1.000H+ +1.000Am+3 +1.000CO3-2 +1.000H2O + log_k -11.51 + delta_h -25.260 #kJ/mol +# Enthalpy of formation: -1552.500 kJ/mol 05ROR/FUG + -analytic -15.93536E+0 00.00000E+0 13.19422E+2 00.00000E+0 00.00000E+0 + +AmCO3OH(s) +Am(CO3)(OH) = -1.000H+ +1.000Am+3 +1.000CO3-2 +1.000H2O + log_k -6.20 #03GUI/FAN + -analytic -62.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +AmCO3OH:0.5H2O(s) +Am(CO3)(OH):0.5H2O = -1.000H+ +1.000Am+3 +1.000CO3-2 +1.500H2O + log_k -8.40 #03GUI/FAN + delta_h -37.775 #kJ/mol +# Enthalpy of formation: -1682.900 kJ/mol 03GUI/FAN + -analytic -15.01790E+0 00.00000E+0 19.73126E+2 00.00000E+0 00.00000E+0 + +Amesite +Mg4Al4Si2O10(OH)8 = +4.000Mg+2 +4.000Al+3 -20.000H+ +2.000H4(SiO4) +10.000H2O + log_k +69.39 + delta_h -766.388 #kJ/mol +# Enthalpy of formation: -9035.900 kJ/mol 05VID/PAR + -analytic -64.87541E+0 00.00000E+0 40.03123E+3 00.00000E+0 00.00000E+0 + -Vm 205.200 + +Amesite-Fe +Fe4Al4Si2O10(OH)8 = +4.000Fe+2 +4.000Al+3 -20.000H+ +2.000H4(SiO4) +10.000H2O + log_k +57.10 + delta_h -688.008 #kJ/mol +# Enthalpy of formation: -7607.460 kJ/mol 05VID/PAR + -analytic -63.43383E+0 00.00000E+0 35.93716E+3 00.00000E+0 00.00000E+0 + -Vm 209.000 AmF3(cr) -AmF3 = 1.000Am+3 + 3.000F- - log_k -13.400 - delta_h -28.750 #kJ/mol - # Enthalpy of formation: -1594 #kJ/mol #03GUI/FAN - -analytic -1.84368E+1 0E+0 1.50171E+3 0E+0 0E+0 +AmF3 = +1.000Am+3 +3.000F- + log_k -13.40 + delta_h -28.750 #kJ/mol +# Enthalpy of formation: -1594.000 kJ/mol 03GUI/FAN + -analytic -18.43678E+0 00.00000E+0 15.01717E+2 00.00000E+0 00.00000E+0 AmI3(cr) -AmI3 = 1.000Am+3 + 3.000I- - log_k 25.300 - delta_h -172.040 #kJ/mol - # Enthalpy of formation: -615 #kJ/mol #03GUI/FAN - -analytic -4.84007E+0 0E+0 8.98626E+3 0E+0 0E+0 +AmI3 = +1.000Am+3 +3.000I- + log_k +25.30 + delta_h -172.040 #kJ/mol +# Enthalpy of formation: -615.000 kJ/mol 03GUI/FAN + -analytic -48.40114E-1 00.00000E+0 89.86275E+2 00.00000E+0 00.00000E+0 AmO2(cr) -AmO2 = - 3.000H+ + 1.000Am+3 + 1.500H2O + 0.250O2 - log_k 12.715 - delta_h -116.279 #kJ/mol - # Enthalpy of formation: -932.2 #kJ/mol #95SIL/BID - -analytic -7.65609E+0 0E+0 6.07364E+3 0E+0 0E+0 +AmO2 = -4.000H+ +1.000Am+3 -1.000e- +2.000H2O + log_k +34.33 + delta_h -256.160 #kJ/mol +# Enthalpy of formation: -932.200 kJ/mol 95SIL/BID + -analytic -10.54731E+0 00.00000E+0 13.38017E+3 00.00000E+0 00.00000E+0 AmO2OH(am) -AmO2OH = - 1.000H+ + 1.000AmO2+ + 1.000H2O - log_k 5.300 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.3E+0 0E+0 0E+0 0E+0 0E+0 +AmO2OH = -1.000H+ +1.000AmO2+ +1.000H2O + log_k +5.30 #03GUI/FAN + -analytic 53.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 AmOBr(cr) -AmOBr = - 2.000H+ + 1.000Am+3 + 1.000Br- + 1.000H2O - log_k 15.980 - delta_h -136.940 #kJ/mol - # Enthalpy of formation: -887 #kJ/mol #03GUI/FAN - -analytic -8.01082E+0 0E+0 7.15286E+3 0E+0 0E+0 +AmOBr = -2.000H+ +1.000Am+3 +1.000Br- +1.000H2O + log_k +15.98 + delta_h -136.940 #kJ/mol +# Enthalpy of formation: -887.000 kJ/mol 03GUI/FAN + -analytic -80.10858E-1 00.00000E+0 71.52874E+2 00.00000E+0 00.00000E+0 AmOCl(cr) -AmOCl = - 2.000H+ + 1.000Am+3 + 1.000Cl- + 1.000H2O - log_k 12.260 - delta_h -119.810 #kJ/mol - # Enthalpy of formation: -949.8 #kJ/mol #95SIL/BID - -analytic -8.72978E+0 0E+0 6.2581E+3 0E+0 0E+0 - -Amesite -Mg4Al4Si2O10(OH)8 = 4.000Mg+2 + 4.000Al+3 - 20.000H+ + 2.000H4(SiO4) + 10.000H2O - log_k 69.420 - delta_h -766.388 #kJ/mol - # Enthalpy of formation: -9035.9 #kJ/mol #05VID/PAR - -analytic -6.48452E+1 0E+0 4.00312E+4 0E+0 0E+0 - -Amesite-Fe -Fe4Al4Si2O10(OH)8 = 4.000Fe+2 + 4.000Al+3 - 20.000H+ + 2.000H4(SiO4) + 10.000H2O - log_k 57.040 - delta_h -686.828 #kJ/mol - # Enthalpy of formation: -7607.46 #kJ/mol #05VID/PAR - -analytic -6.32869E+1 0E+0 3.58755E+4 0E+0 0E+0 +AmOCl = -2.000H+ +1.000Am+3 +1.000Cl- +1.000H2O + log_k +12.26 + delta_h -119.810 #kJ/mol +# Enthalpy of formation: -949.800 kJ/mol 95SIL/BID + -analytic -87.29811E-1 00.00000E+0 62.58112E+2 00.00000E+0 00.00000E+0 Analcime -Na0.99Al0.99Si2.01O6:H2O = 0.990Na+ + 0.990Al+3 - 3.960H+ + 2.010H4(SiO4) - 1.040H2O - log_k 6.650 - delta_h -102.689 #kJ/mol - # Enthalpy of formation: -3308 #kJ/mol #04NEU/HOV - -analytic -1.13403E+1 0E+0 5.36381E+3 0E+0 0E+0 - -Anapaite -Ca2Fe(PO4)2:4H2O = 2.000Ca+2 + 1.000Fe+2 - 4.000H+ + 2.000H2(PO4)- + 4.000H2O - log_k 5.020 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.02E+0 0E+0 0E+0 0E+0 0E+0 +Na0.99Al0.99Si2.01O6:H2O = +0.990Na+ +0.990Al+3 -3.960H+ +2.010H4(SiO4) -1.040H2O + log_k +6.64 + delta_h -102.689 #kJ/mol +# Enthalpy of formation: -3308.000 kJ/mol 04NEU/HOV + -analytic -11.35034E+0 00.00000E+0 53.63820E+2 00.00000E+0 00.00000E+0 + -Vm 97.090 + +Andersonite +Na2CaUO2(CO3)3:6H2O = +1.000Ca+2 +2.000Na+ +1.000UO2+2 +3.000CO3-2 +6.000H2O + log_k -31.80 #19LEE/AMA + -analytic -31.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Anglesite -Pb(SO4) = 1.000Pb+2 + 1.000SO4-2 - log_k -7.850 - delta_h 11.550 #kJ/mol - # Enthalpy of formation: -919.97 #kJ/mol #89COX/WAG - -analytic -5.82653E+0 0E+0 -6.03298E+2 0E+0 0E+0 +Pb(SO4) = +1.000Pb+2 +1.000SO4-2 + log_k -7.85 + delta_h +11.550 #kJ/mol +# Enthalpy of formation: -919.970 kJ/mol 89COX/WAG + -analytic -58.26527E-1 00.00000E+0 -60.32985E+1 00.00000E+0 00.00000E+0 Anhydrite -Ca(SO4) = 1.000Ca+2 + 1.000SO4-2 - log_k -4.440 - delta_h -17.940 #kJ/mol - # Enthalpy of formation: -1434.4 #kJ/mol #95ROB/HEM - -analytic -7.58295E+0 0E+0 9.3707E+2 0E+0 0E+0 +Ca(SO4) = +1.000Ca+2 +1.000SO4-2 + log_k -4.44 + delta_h -17.940 #kJ/mol +# Enthalpy of formation: -1434.400 kJ/mol 95ROB/HEM + -analytic -75.82953E-1 00.00000E+0 93.70715E+1 00.00000E+0 00.00000E+0 + -Vm 46.010 Annite -KFe3Si3AlO10(OH)2 = 1.000K+ + 3.000Fe+2 + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4) - log_k 32.770 - delta_h -313.152 #kJ/mol - # Enthalpy of formation: -5130.97 #kJ/mol #95DAC/BEN - -analytic -2.20918E+1 0E+0 1.6357E+4 0E+0 0E+0 +KFe3Si3AlO10(OH)2 = +1.000K+ +3.000Fe+2 +1.000Al+3 -10.000H+ +3.000H4(SiO4) + log_k +32.82 + delta_h -314.037 #kJ/mol +# Enthalpy of formation: -5130.970 kJ/mol 95DAC/BEN + -analytic -22.19692E+0 00.00000E+0 16.40329E+3 00.00000E+0 00.00000E+0 + -Vm 154.300 Anorthite -CaAl2Si2O8 = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 2.000H4(SiO4) - log_k 25.310 - delta_h -314.358 #kJ/mol - # Enthalpy of formation: -4227.83 #kJ/mol #99ARN/STE - -analytic -2.97631E+1 0E+0 1.642E+4 0E+0 0E+0 +CaAl2Si2O8 = +1.000Ca+2 +2.000Al+3 -8.000H+ +2.000H4(SiO4) + log_k +25.31 + delta_h -314.358 #kJ/mol +# Enthalpy of formation: -4227.830 kJ/mol 99ARN/STE + -analytic -29.76316E+0 00.00000E+0 16.42006E+3 00.00000E+0 00.00000E+0 Antarcticite -CaCl2:6H2O = 1.000Ca+2 + 2.000Cl- + 6.000H2O - log_k 3.940 - delta_h 13.990 #kJ/mol - # Enthalpy of formation: -2606.13 #kJ/mol #87GAR/PAR - -analytic 6.39094E+0 0E+0 -7.30748E+2 0E+0 0E+0 +CaCl2:6H2O = +1.000Ca+2 +2.000Cl- +6.000H2O + log_k +3.94 + delta_h +13.990 #kJ/mol +# Enthalpy of formation: -2606.130 kJ/mol 87GAR/PAR + -analytic 63.90943E-1 00.00000E+0 -73.07486E+1 00.00000E+0 00.00000E+0 Antigorite -Mg48Si34O85(OH)62 = 48.000Mg+2 - 96.000H+ + 34.000H4(SiO4) + 11.000H2O - log_k 500.160 - delta_h -3822.746 #kJ/mol - # Enthalpy of formation: -71417.98 #kJ/mol #98HOL/POW - -analytic -1.69555E+2 0E+0 1.99676E+5 0E+0 0E+0 +Mg48Si34O85(OH)62 = +48.000Mg+2 -96.000H+ +34.000H4(SiO4) +11.000H2O + log_k +499.89 + delta_h -3822.746 #kJ/mol +# Enthalpy of formation: -71417.980kJ/mol 98HOL/POW + -analytic -16.98264E+1 00.00000E+0 19.96759E+4 00.00000E+0 00.00000E+0 + -Vm 1754.800 + +Antlerite +Cu3SO4(OH)4 = +3.000Cu+2 -4.000H+ +1.000SO4-2 +4.000H2O + log_k +8.91 + delta_h -117.063 #kJ/mol +# Enthalpy of formation: -1740.896 kJ/mol + -analytic -11.59856E+0 00.00000E+0 61.14626E+2 00.00000E+0 00.00000E+0 Aragonite -CaCO3 = 1.000Ca+2 + 1.000CO3-2 - log_k -8.310 - delta_h -10.454 #kJ/mol - # Enthalpy of formation: -1207.776 #kJ/mol #87GAR/PAR - -analytic -1.01415E+1 0E+0 5.4605E+2 0E+0 0E+0 +CaCO3 = +1.000Ca+2 +1.000CO3-2 + log_k -8.31 + delta_h -10.454 #kJ/mol +# Enthalpy of formation: -1207.776 kJ/mol 87GAR/PAR + -analytic -10.14146E+0 00.00000E+0 54.60504E+1 00.00000E+0 00.00000E+0 + -Vm 34.150 Arcanite -K2SO4 = 2.000K+ + 1.000SO4-2 - log_k -1.850 - delta_h 24.080 #kJ/mol - # Enthalpy of formation: -1437.7 #kJ/mol #95ROB/HEM - -analytic 2.36863E+0 0E+0 -1.25778E+3 0E+0 0E+0 +K2SO4 = +2.000K+ +1.000SO4-2 + log_k -1.85 + delta_h +24.080 #kJ/mol +# Enthalpy of formation: -1437.700 kJ/mol 95ROB/HEM + -analytic 23.68635E-1 00.00000E+0 -12.57786E+2 00.00000E+0 00.00000E+0 + -Vm 65.500 Artinite -Mg2(CO3)(OH)2:3H2O = 2.000Mg+2 - 2.000H+ + 1.000CO3-2 + 5.000H2O - log_k 9.810 - delta_h -117.780 #kJ/mol - # Enthalpy of formation: -2920.6 #kJ/mol #73HEM/ROB - -analytic -1.08241E+1 0E+0 6.15207E+3 0E+0 0E+0 - -As(s) -As = 3.000H+ + 1.000AsO4-3 - 1.500H2O - 1.250O2 - log_k 54.885 - delta_h -444.228 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #09RAN/FUG - -analytic -2.29402E+1 0E+0 2.32036E+4 0E+0 0E+0 +Mg2(CO3)(OH)2:3H2O = +2.000Mg+2 -2.000H+ +1.000CO3-2 +5.000H2O + log_k +9.81 + delta_h -117.780 #kJ/mol +# Enthalpy of formation: -2920.600 kJ/mol 73HEM/ROB + -analytic -10.82417E+0 00.00000E+0 61.52078E+2 00.00000E+0 00.00000E+0 + +As(cr) +As = +8.000H+ +5.000e- +1.000AsO4-3 -4.000H2O + log_k -52.59 + delta_h +255.180 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 09RAN/FUG + -analytic -78.84383E-1 00.00000E+0 -13.32898E+3 00.00000E+0 00.00000E+0 As2O5(s) -As2O5 = 6.000H+ + 2.000AsO4-3 - 3.000H2O - log_k -35.340 - delta_h 10.640 #kJ/mol - # Enthalpy of formation: -929.43 #kJ/mol #65BEE/MOR - -analytic -3.3476E+1 0E+0 -5.55765E+2 0E+0 0E+0 - -B(OH)3(cr) -B(OH)3 = 1.000H+ + 1.000B(OH)4- - 1.000H2O - log_k -9.310 - delta_h 35.514 #kJ/mol - # Enthalpy of formation: -1094.8 #kJ/mol #01LEM/FUG - -analytic -3.08822E+0 0E+0 -1.85502E+3 0E+0 0E+0 +As2O5 = +6.000H+ +2.000AsO4-3 -3.000H2O + log_k -35.34 + delta_h +10.640 #kJ/mol +# Enthalpy of formation: -929.430 kJ/mol 65BEE/MOR + -analytic -33.47595E+0 00.00000E+0 -55.57659E+1 00.00000E+0 00.00000E+0 + +Azurite +Cu3(CO3)2(OH)2 = +3.000Cu+2 -2.000H+ +2.000CO3-2 +2.000H2O + log_k -16.91 #91BAL/NOR in 07POW/BRO + delta_h -55.087 #kJ/mol +# Enthalpy of formation: -1672.333 kJ/mol + -analytic -26.56083E+0 00.00000E+0 28.77394E+2 00.00000E+0 00.00000E+0 B(cr) -B = 1.000H+ + 1.000B(OH)4- - 2.500H2O - 0.750O2 - log_k 100.415 - delta_h -621.441 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG - -analytic -8.45654E+0 0E+0 3.24601E+4 0E+0 0E+0 +B = +4.000H+ +3.000e- +1.000B(OH)4- -4.000H2O + log_k +35.93 + delta_h -201.796 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG + -analytic 57.68584E-2 00.00000E+0 10.54054E+3 00.00000E+0 00.00000E+0 + +B(OH)3(cr) +B(OH)3 = +1.000H+ +1.000B(OH)4- -1.000H2O + log_k -9.31 + delta_h +35.514 #kJ/mol +# Enthalpy of formation: -1094.800 kJ/mol 01LEM/FUG + -analytic -30.88214E-1 00.00000E+0 -18.55025E+2 00.00000E+0 00.00000E+0 B2O3(am) -B2O3 = 2.000H+ + 2.000B(OH)4- - 5.000H2O - log_k -10.630 - delta_h -6.711 #kJ/mol - # Enthalpy of formation: -1254.371 #kJ/mol - -analytic -1.18057E+1 0E+0 3.50539E+2 0E+0 0E+0 +B2O3 = +2.000H+ +2.000B(OH)4- -5.000H2O + log_k -10.63 + delta_h -6.712 #kJ/mol +# Enthalpy of formation: -1254.371 kJ/mol + -analytic -11.80589E+0 00.00000E+0 35.05922E+1 00.00000E+0 00.00000E+0 B2O3(cr) -B2O3 = 2.000H+ + 2.000B(OH)4- - 5.000H2O - log_k -12.740 - delta_h 12.418 #kJ/mol - # Enthalpy of formation: -1273.5 #kJ/mol #01LEM/FUG - -analytic -1.05645E+1 0E+0 -6.48636E+2 0E+0 0E+0 +B2O3 = +2.000H+ +2.000B(OH)4- -5.000H2O + log_k -12.74 + delta_h +12.418 #kJ/mol +# Enthalpy of formation: -1273.500 kJ/mol 01LEM/FUG + -analytic -10.56446E+0 00.00000E+0 -64.86373E+1 00.00000E+0 00.00000E+0 + +Ba(cr) +Ba = +1.000Ba+2 +2.000e- + log_k +97.70 + delta_h -534.800 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG + -analytic 40.07062E-1 00.00000E+0 27.93455E+3 00.00000E+0 00.00000E+0 Ba(OH)2:8H2O(cr) -Ba(OH)2:8H2O = 1.000Ba+2 - 2.000H+ + 10.000H2O - log_k 23.870 - delta_h -52.509 #kJ/mol - # Enthalpy of formation: -3340.591 #kJ/mol - -analytic 1.46708E+1 0E+0 2.74273E+3 0E+0 0E+0 +Ba(OH)2:8H2O = +1.000Ba+2 -2.000H+ +10.000H2O + log_k +23.87 + delta_h -52.506 #kJ/mol +# Enthalpy of formation: -3340.591 kJ/mol + -analytic 14.67134E+0 00.00000E+0 27.42579E+2 00.00000E+0 00.00000E+0 Ba(SeO3)(s) -Ba(SeO3) = 1.000Ba+2 + 1.000SeO3-2 - log_k -6.500 #05OLI/NOL - delta_h -5.260 #kJ/mol - # Enthalpy of formation: -1036.7 #kJ/mol #05OLI/NOL - -analytic -7.42151E+0 0E+0 2.74749E+2 0E+0 0E+0 +Ba(SeO3) = +1.000Ba+2 +1.000SeO3-2 + log_k -6.50 #05OLI/NOL + delta_h -5.260 #kJ/mol +# Enthalpy of formation: -1036.700 kJ/mol 05OLI/NOL + -analytic -74.21512E-1 00.00000E+0 27.47489E+1 00.00000E+0 00.00000E+0 Ba(SeO4)(cr) -Ba(SeO4) = 1.000Ba+2 + 1.000SeO4-2 - log_k -7.560 #05OLI/NOL - delta_h 5.700 #kJ/mol - # Enthalpy of formation: -1144 #kJ/mol #05OLI/NOL - -analytic -6.5614E+0 0E+0 -2.97731E+2 0E+0 0E+0 - -Ba(cr) -Ba = 1.000Ba+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 140.690 - delta_h -814.563 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG - -analytic -2.0151E+0 0E+0 4.25475E+4 0E+0 0E+0 +Ba(SeO4) = +1.000Ba+2 +1.000SeO4-2 + log_k -7.56 #05OLI/NOL + delta_h +5.700 #kJ/mol +# Enthalpy of formation: -1144.000 kJ/mol 05OLI/NOL + -analytic -65.61403E-1 00.00000E+0 -29.77317E+1 00.00000E+0 00.00000E+0 BaCl2(cr) -BaCl2 = 1.000Ba+2 + 2.000Cl- - log_k 2.300 - delta_h -13.760 #kJ/mol - # Enthalpy of formation: -855.2 #kJ/mol #95SIL/BID - -analytic -1.10645E-1 0E+0 7.18734E+2 0E+0 0E+0 +BaCl2 = +1.000Ba+2 +2.000Cl- + log_k +2.30 + delta_h -13.760 #kJ/mol +# Enthalpy of formation: -855.200 kJ/mol 95SIL/BID + -analytic -11.06485E-2 00.00000E+0 71.87349E+1 00.00000E+0 00.00000E+0 BaCl2:2H2O(s) -BaCl2:2H2O = 1.000Ba+2 + 2.000Cl- + 2.000H2O - log_k -0.340 - delta_h 19.418 #kJ/mol - # Enthalpy of formation: -1460.038 #kJ/mol - -analytic 3.06188E+0 0E+0 -1.01427E+3 0E+0 0E+0 +BaCl2:2H2O = +1.000Ba+2 +2.000Cl- +2.000H2O + log_k -0.34 + delta_h +19.420 #kJ/mol +# Enthalpy of formation: -1460.038 kJ/mol + -analytic 30.62238E-1 00.00000E+0 -10.14377E+2 00.00000E+0 00.00000E+0 BaCl2:H2O(s) -BaCl2:H2O = 1.000Ba+2 + 2.000Cl- + 1.000H2O - log_k 0.280 - delta_h 5.746 #kJ/mol - # Enthalpy of formation: -1160.536 #kJ/mol - -analytic 1.28665E+0 0E+0 -3.00134E+2 0E+0 0E+0 +BaCl2:H2O = +1.000Ba+2 +2.000Cl- +1.000H2O + log_k +0.28 + delta_h +5.747 #kJ/mol +# Enthalpy of formation: -1160.536 kJ/mol + -analytic 12.86831E-1 00.00000E+0 -30.01867E+1 00.00000E+0 00.00000E+0 BaF2(cr) -BaF2 = 1.000Ba+2 + 2.000F- - log_k -6.320 - delta_h 1.631 #kJ/mol - # Enthalpy of formation: -1207.131 #kJ/mol - -analytic -6.03426E+0 0E+0 -8.51929E+1 0E+0 0E+0 +BaF2 = +1.000Ba+2 +2.000F- + log_k -6.32 + delta_h +1.644 #kJ/mol +# Enthalpy of formation: -1207.143 kJ/mol + -analytic -60.31984E-1 00.00000E+0 -85.87210E+0 00.00000E+0 00.00000E+0 BaHPO4(s) -BaHPO4 = 1.000Ba+2 - 1.000H+ + 1.000H2(PO4)- - log_k -0.190 #66SPI/MIK in 76SMI/MAR - delta_h -22.800 #kJ/mol - # Enthalpy of formation: -1814.6 #kJ/mol #82WAG/EVA - -analytic -4.18438E+0 0E+0 1.19093E+3 0E+0 0E+0 +BaHPO4 = +1.000Ba+2 -1.000H+ +1.000H2(PO4)- + log_k -0.19 #66SPI/MIK in 76SMI/MAR + delta_h -22.800 #kJ/mol +# Enthalpy of formation: -1814.600 kJ/mol 82WAG/EVA + -analytic -41.84389E-1 00.00000E+0 11.90927E+2 00.00000E+0 00.00000E+0 BaMoO4(s) -BaMoO4 = 1.000Ba+2 + 1.000MoO4-2 - log_k -7.830 - delta_h 13.822 #kJ/mol - # Enthalpy of formation: -1545.622 #kJ/mol - -analytic -5.40849E+0 0E+0 -7.21972E+2 0E+0 0E+0 +BaMoO4 = +1.000Ba+2 +1.000MoO4-2 + log_k -7.83 + delta_h +13.779 #kJ/mol +# Enthalpy of formation: -1545.578 kJ/mol + -analytic -54.16023E-1 00.00000E+0 -71.97273E+1 00.00000E+0 00.00000E+0 BaO(cr) -BaO = 1.000Ba+2 - 2.000H+ + 1.000H2O - log_k 48.070 - delta_h -272.530 #kJ/mol - # Enthalpy of formation: -548.1 #kJ/mol #95SIL/BID - -analytic 3.24864E-1 0E+0 1.42352E+4 0E+0 0E+0 - -BaS(s) -BaS = 1.000Ba+2 - 1.000H+ + 1.000HS- - log_k 15.660 - delta_h -90.248 #kJ/mol - # Enthalpy of formation: -460.852 #kJ/mol - -analytic -1.50748E-1 0E+0 4.71397E+3 0E+0 0E+0 +BaO = +1.000Ba+2 -2.000H+ +1.000H2O + log_k +48.07 + delta_h -272.530 #kJ/mol +# Enthalpy of formation: -548.100 kJ/mol 95SIL/BID + -analytic 32.47935E-2 00.00000E+0 14.23523E+3 00.00000E+0 00.00000E+0 Barite -Ba(SO4) = 1.000Ba+2 + 1.000SO4-2 - log_k -9.970 #85LAN/MEL in 90NOR/PLU - delta_h 26.460 #kJ/mol #85LAN/MEL in 90NOR/PLU - # Enthalpy of formation: -1470.6 #kJ/mol - -analytic -5.33441E+0 0E+0 -1.3821E+3 0E+0 0E+0 +Ba(SO4) = +1.000Ba+2 +1.000SO4-2 + log_k -9.97 #85LAN/MEL in 90NOR/PLU; Uncertainty to include available data. + delta_h +26.460 #kJ/mol 85LAN/MEL in 90NOR/PLU +# Enthalpy of formation: -1470.600 kJ/mol + -analytic -53.34407E-1 00.00000E+0 -13.82102E+2 00.00000E+0 00.00000E+0 + -Vm 52.100 + +BaS(s) +BaS = +1.000Ba+2 -1.000H+ +1.000HS- + log_k +15.66 + delta_h -90.248 #kJ/mol +# Enthalpy of formation: -460.852 kJ/mol + -analytic -15.07709E-2 00.00000E+0 47.13981E+2 00.00000E+0 00.00000E+0 Bassanite -CaSO4:0.5H2O = 1.000Ca+2 + 1.000SO4-2 + 0.500H2O - log_k -3.920 #06BLA/PIA - delta_h -17.358 #kJ/mol - # Enthalpy of formation: -1577.897 #kJ/mol - -analytic -6.96099E+0 0E+0 9.0667E+2 0E+0 0E+0 +CaSO4:0.5H2O = +1.000Ca+2 +1.000SO4-2 +0.500H2O + log_k -3.92 #06BLA/PIA + delta_h -17.358 #kJ/mol +# Enthalpy of formation: -1577.897 kJ/mol + -analytic -69.60991E-1 00.00000E+0 90.66715E+1 00.00000E+0 00.00000E+0 Bassetite -Fe(UO2)2(PO4)2 = 1.000Fe+2 + 2.000UO2+2 - 4.000H+ + 2.000H2(PO4)- - log_k -1.070 #65MUT/HIR - delta_h -36.464 #kJ/mol - # Enthalpy of formation: -8996.928 #kJ/mol - -analytic -7.45821E+0 0E+0 1.90464E+3 0E+0 0E+0 +Fe(UO2)2(PO4)2 = +1.000Fe+2 +2.000UO2+2 -4.000H+ +2.000H2(PO4)- + log_k -1.07 #65MUT/HIR + delta_h -36.645 #kJ/mol +# Enthalpy of formation: -4696.849 kJ/mol + -analytic -74.89928E-1 00.00000E+0 19.14102E+2 00.00000E+0 00.00000E+0 + +Be(cr) +Be = +2.000e- +1.000Be+2 + log_k +66.62 + delta_h -382.800 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -44.36812E-2 00.00000E+0 19.99504E+3 00.00000E+0 00.00000E+0 + +Be(OH)2(alpha,cr) +Be(OH)2 = -2.000H+ +2.000H2O +1.000Be+2 + log_k +6.90 #20ÇEV/GAO + delta_h -51.812 #kJ/mol +# Enthalpy of formation: -902.647 kJ/mol + -analytic -21.77073E-1 00.00000E+0 27.06329E+2 00.00000E+0 00.00000E+0 + +Be(OH)2(beta,cr) +Be(OH)2 = -2.000H+ +2.000H2O +1.000Be+2 + log_k +5.90 #87BRU/GRE + delta_h -45.603 #kJ/mol +# Enthalpy of formation: -908.856 kJ/mol + -analytic -20.89303E-1 00.00000E+0 23.82011E+2 00.00000E+0 00.00000E+0 + +BeCl2(alpha,cr) +BeCl2 = +2.000Cl- +1.000Be+2 + log_k +34.42 + delta_h -226.030 #kJ/mol +# Enthalpy of formation: -490.930 kJ/mol 98CHA + -analytic -51.78756E-1 00.00000E+0 11.80637E+3 00.00000E+0 00.00000E+0 + +BeCl2(beta,cr) +BeCl2 = +2.000Cl- +1.000Be+2 + log_k +33.85 + delta_h -220.738 #kJ/mol +# Enthalpy of formation: -496.222 kJ/mol 98CHA + -analytic -48.21638E-1 00.00000E+0 11.52995E+3 00.00000E+0 00.00000E+0 Becquerelite(nat) -Ca(UO2)6O4(OH)6:8H2O = 1.000Ca+2 + 6.000UO2+2 - 14.000H+ + 18.000H2O - log_k 29.000 #97CAS/BRU - delta_h -378.310 #kJ/mol - # Enthalpy of formation: -11423.63 #kJ/mol #99CHE/EWI - -analytic -3.7277E+1 0E+0 1.97605E+4 0E+0 0E+0 +Ca(UO2)6O4(OH)6:8H2O = +1.000Ca+2 +6.000UO2+2 -14.000H+ +18.000H2O + log_k +29.00 #97CAS/BRU + delta_h -378.310 #kJ/mol +# Enthalpy of formation: -11423.630kJ/mol 99CHE/EWI + -analytic -37.27707E+0 00.00000E+0 19.76051E+3 00.00000E+0 00.00000E+0 Becquerelite(syn) -Ca(UO2)6O4(OH)6:8H2O = 1.000Ca+2 + 6.000UO2+2 - 14.000H+ + 18.000H2O - log_k 40.500 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.05E+1 0E+0 0E+0 0E+0 0E+0 +Ca(UO2)6O4(OH)6:8H2O = +1.000Ca+2 +6.000UO2+2 -14.000H+ +18.000H2O + log_k +40.50 #03GUI/FAN + -analytic 40.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +BeF2(alfa,cr) +BeF2 = +2.000F- +1.000Be+2 + log_k -6.32 + delta_h -26.746 #kJ/mol +# Enthalpy of formation: -1026.754 kJ/mol 98CHA + -analytic -11.00570E+0 00.00000E+0 13.97041E+2 00.00000E+0 00.00000E+0 + +Beidellite_SBld-1 +Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2 = +0.185Ca+2 +0.090Mg+2 +0.104K+ +0.112Fe+3 +2.238Al+3 -7.704H+ +3.574H4(SiO4) -2.296H2O + log_k +7.58 + delta_h -224.605 #kJ/mol +# Enthalpy of formation: -5720.690 kJ/mol 12GAI/BLA + -analytic -31.76911E+0 00.00000E+0 11.73194E+3 00.00000E+0 00.00000E+0 + -Vm 137.980 + +Beidellite_SBld-1(4.576H2O) +Ca0.185K0.104Si3.574Al2.238Mg0.090Fe0.112O10(OH)2:4.576H2O = +0.185Ca+2 +0.090Mg+2 +0.104K+ +0.112Fe+3 +2.238Al+3 -7.704H+ +3.574H4(SiO4) +2.280H2O + log_k +4.26 + delta_h -193.803 #kJ/mol +# Enthalpy of formation: -7059.450 kJ/mol 12GAI/BLA + -analytic -29.69283E+0 00.00000E+0 10.12304E+3 00.00000E+0 00.00000E+0 + -Vm 220.670 Beidellite-Ca -Ca0.17Al2.34Si3.66O10(OH)2 = 0.170Ca+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 5.770 - delta_h -207.635 #kJ/mol - # Enthalpy of formation: -5737.91 #kJ/mol #15BLA/VIE - -analytic -3.0606E+1 0E+0 1.08455E+4 0E+0 0E+0 +Ca0.17Al2.34Si3.66O10(OH)2 = +0.170Ca+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O + log_k +5.77 + delta_h -207.635 #kJ/mol +# Enthalpy of formation: -5737.910 kJ/mol 15BLA/VIE + -analytic -30.60609E+0 00.00000E+0 10.84553E+3 00.00000E+0 00.00000E+0 + -Vm 134.100 Beidellite-K -K0.34Al2.34Si3.66O10(OH)2 = 0.340K+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 4.600 - delta_h -189.102 #kJ/mol - # Enthalpy of formation: -5749.86 #kJ/mol #15BLA/VIE - -analytic -2.85292E+1 0E+0 9.87747E+3 0E+0 0E+0 +K0.34Al2.34Si3.66O10(OH)2 = +0.340K+ +2.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O + log_k +4.60 + delta_h -189.102 #kJ/mol +# Enthalpy of formation: -5749.860 kJ/mol 15BLA/VIE + -analytic -28.52925E+0 00.00000E+0 98.77485E+2 00.00000E+0 00.00000E+0 + -Vm 133.220 Beidellite-Mg -Mg0.17Al2.34Si3.66O10(OH)2 = 0.170Mg+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 5.230 - delta_h -208.815 #kJ/mol - # Enthalpy of formation: -5723.81 #kJ/mol #15BLA/VIE - -analytic -3.13528E+1 0E+0 1.09072E+4 0E+0 0E+0 +Mg0.17Al2.34Si3.66O10(OH)2 = +0.170Mg+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O + log_k +5.23 + delta_h -208.815 #kJ/mol +# Enthalpy of formation: -5723.810 kJ/mol 15BLA/VIE + -analytic -31.35282E+0 00.00000E+0 10.90717E+3 00.00000E+0 00.00000E+0 + -Vm 130.110 Beidellite-Na -Na0.34Al2.34Si3.66O10(OH)2 = 0.340Na+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 5.100 - delta_h -197.720 #kJ/mol - # Enthalpy of formation: -5737.23 #kJ/mol #15BLA/VIE - -analytic -2.9539E+1 0E+0 1.03276E+4 0E+0 0E+0 - -Beidellite_SBld-1 -Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2 = 0.185Ca+2 + 0.090Mg+2 + 0.104K+ + 0.112Fe+3 + 2.238Al+3 - 7.704H+ + 3.574H4(SiO4) - 2.296H2O - log_k 7.590 - delta_h -224.486 #kJ/mol - # Enthalpy of formation: -5720.69 #kJ/mol #12GAI/BLA - -analytic -3.17382E+1 0E+0 1.17257E+4 0E+0 0E+0 - -Beidellite_SBld-1(4.576H2O) -Ca0.185K0.104Si3.574Al2.238Mg0.090Fe0.112O10(OH)2:4.576H2O = 0.185Ca+2 + 0.090Mg+2 + 0.104K+ + 0.112Fe+3 + 2.238Al+3 - 7.704H+ + 3.574H4(SiO4) + 2.280H2O - log_k 4.290 - delta_h -193.685 #kJ/mol - # Enthalpy of formation: -7059.45 #kJ/mol #12GAI/BLA - -analytic -2.96421E+1 0E+0 1.01169E+4 0E+0 0E+0 +Na0.34Al2.34Si3.66O10(OH)2 = +0.340Na+ +2.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O + log_k +5.10 + delta_h -197.720 #kJ/mol +# Enthalpy of formation: -5737.230 kJ/mol 15BLA/VIE + -analytic -29.53906E+0 00.00000E+0 10.32763E+3 00.00000E+0 00.00000E+0 + -Vm 132.490 + +BeO(cr) +BeO = -2.000H+ +1.000H2O +1.000Be+2 + log_k +6.72 + delta_h -60.276 #kJ/mol +# Enthalpy of formation: -608.354 kJ/mol 98CHA + -analytic -38.39902E-1 00.00000E+0 31.48435E+2 00.00000E+0 00.00000E+0 Berlinite -Al(PO4) = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)- - log_k -0.570 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.7E-1 0E+0 0E+0 0E+0 0E+0 +Al(PO4) = +1.000Al+3 -2.000H+ +1.000H2(PO4)- + log_k -0.57 #96FAL/REA + -analytic -57.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Berndtite -SnS2 = 1.000Sn+4 - 2.000H+ + 2.000HS- - log_k -37.560 - delta_h 87.401 #kJ/mol - # Enthalpy of formation: -151.5 #kJ/mol #12GAM/GAJ - -analytic -2.2248E+1 0E+0 -4.56527E+3 0E+0 0E+0 +SnS2 = +1.000Sn+4 -2.000H+ +2.000HS- + log_k -37.56 + delta_h +87.389 #kJ/mol +# Enthalpy of formation: -151.500 kJ/mol 12GAM/GAJ + -analytic -22.25010E+0 00.00000E+0 -45.64645E+2 00.00000E+0 00.00000E+0 Berthierine(FeII) -(Fe2Al)(SiAl)O5(OH)4 = 2.000Al+3 + 1.000H4(SiO4) + 2.000Fe+2 + 5.000H2O - 10.000H+ - log_k 34.560 - delta_h -376.684 #kJ/mol - # Enthalpy of formation: -3770.46 #kJ/mol #15BLA/VIE - -analytic -3.14321E+1 0E+0 1.96755E+4 0E+0 0E+0 +(Fe2Al)(SiAl)O5(OH)4 = +2.000Fe+2 +2.000Al+3 -10.000H+ +1.000H4(SiO4) +5.000H2O + log_k +34.61 + delta_h -377.274 #kJ/mol +# Enthalpy of formation: -3770.460 kJ/mol 15BLA/VIE + -analytic -31.48557E+0 00.00000E+0 19.70639E+3 00.00000E+0 00.00000E+0 + -Vm 103.860 Berthierine(FeIII) -(Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4 = 0.330Fe+3 + 2.340Fe+2 + 0.990Al+3 - 8.640H+ + 1.340H4(SiO4) + 3.640H2O - log_k 28.800 - delta_h -300.177 #kJ/mol - # Enthalpy of formation: -3458.03 #kJ/mol #15BLA/VIE - -analytic -2.37887E+1 0E+0 1.56793E+4 0E+0 0E+0 +(Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4 = +0.330Fe+3 +2.340Fe+2 +0.990Al+3 -8.640H+ +1.340H4(SiO4) +3.640H2O + log_k +28.85 + delta_h -301.216 #kJ/mol +# Enthalpy of formation: -3458.030 kJ/mol 15BLA/VIE + -analytic -23.92078E+0 00.00000E+0 15.73361E+3 00.00000E+0 00.00000E+0 + -Vm 103.270 Berthierine_ISGS -(Si1.332Al0.668)(Al0.976Fe0.182Fe1.44Mg0.157)O5(OH)4 = 0.157Mg+2 + 0.182Fe+3 + 1.644Al+3 + 1.332H4(SiO4) + 1.440Fe+2 + 3.672H2O - 8.672H+ - log_k 27.930 - delta_h -318.385 #kJ/mol - # Enthalpy of formation: -3774.46 #kJ/mol #13BLA/GAI2 - -analytic -2.78486E+1 0E+0 1.66304E+4 0E+0 0E+0 +(Si1.332Al0.668)(Al0.976Fe0.182Fe1.44Mg0.157)O5(OH)4 = +0.157Mg+2 +0.182Fe+3 +1.440Fe+2 +1.644Al+3 -8.672H+ +1.332H4(SiO4) +3.672H2O + log_k +27.94 + delta_h -319.002 #kJ/mol +# Enthalpy of formation: -3774.460 kJ/mol 13BLA/GAI2 + -analytic -27.94675E+0 00.00000E+0 16.66263E+3 00.00000E+0 00.00000E+0 + -Vm 101.160 Berthierine_Lorraine -Fe0.608Fe0.936Mg0.37Al1.052Si1.52O5(OH)4 = 0.370Mg+2 + 0.936Fe+3 + 0.608Fe+2 + 1.052Al+3 - 7.920H+ + 1.520H4(SiO4) + 2.920H2O - log_k 1.030 - delta_h -162.510 #kJ/mol - # Enthalpy of formation: -3732.9 #kJ/mol #08GAI - -analytic -2.74405E+1 0E+0 8.48848E+3 0E+0 0E+0 +Fe0.608Fe0.936Mg0.37Al1.052Si1.52O5(OH)4 = +0.370Mg+2 +0.936Fe+3 +0.608Fe+2 +1.052Al+3 -7.920H+ +1.520H4(SiO4) +2.920H2O + log_k +1.01 + delta_h -163.677 #kJ/mol +# Enthalpy of formation: -3732.900 kJ/mol 08GAI + -analytic -27.66498E+0 00.00000E+0 85.49445E+2 00.00000E+0 00.00000E+0 + -Vm 103.800 + +BeSO4(alfa,cr) +BeSO4 = +1.000SO4-2 +1.000Be+2 + log_k +6.12 + delta_h -91.340 #kJ/mol +# Enthalpy of formation: -1200.800 kJ/mol 98CHA + -analytic -98.82081E-1 00.00000E+0 47.71020E+2 00.00000E+0 00.00000E+0 Bieberite -CoSO4:7H2O = 1.000Co+2 + 1.000SO4-2 + 7.000H2O - log_k -2.350 - delta_h 11.840 #kJ/mol - # Enthalpy of formation: -2979.59 #kJ/mol #74NAU/RYZ - -analytic -2.75724E-1 0E+0 -6.18445E+2 0E+0 0E+0 +CoSO4:7H2O = +1.000Co+2 +1.000SO4-2 +7.000H2O + log_k -2.35 + delta_h +11.840 #kJ/mol +# Enthalpy of formation: -2979.590 kJ/mol 74NAU/RYZ + -analytic -27.57210E-2 00.00000E+0 -61.84463E+1 00.00000E+0 00.00000E+0 Bischofite -MgCl2:6H2O = 1.000Mg+2 + 2.000Cl- + 6.000H2O - log_k 4.460 #84HAR/MOL - delta_h -8.710 #kJ/mol - # Enthalpy of formation: -2507.43 #kJ/mol - -analytic 2.93408E+0 0E+0 4.54954E+2 0E+0 0E+0 +MgCl2:6H2O = +1.000Mg+2 +2.000Cl- +6.000H2O + log_k +4.46 #84HAR/MOL + delta_h -8.710 #kJ/mol +# Enthalpy of formation: -2507.430 kJ/mol 84HAR/MOL + -analytic 29.34074E-1 00.00000E+0 45.49550E+1 00.00000E+0 00.00000E+0 Bloedite -Na2Mg(SO4)2:4H2O = 1.000Mg+2 + 2.000Na+ + 2.000SO4-2 + 4.000H2O - log_k -2.350 #84HAR/MOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.35E+0 0E+0 0E+0 0E+0 0E+0 +Na2Mg(SO4)2:4H2O = +1.000Mg+2 +2.000Na+ +2.000SO4-2 +4.000H2O + log_k -2.35 #84HAR/MOL + -analytic -23.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Boehmite -AlO(OH) = 1.000Al+3 - 3.000H+ + 2.000H2O - log_k 7.620 - delta_h -113.660 #kJ/mol - # Enthalpy of formation: -996.4 #kJ/mol #95ROB/HEM - -analytic -1.22923E+1 0E+0 5.93687E+3 0E+0 0E+0 +AlO(OH) = +1.000Al+3 -3.000H+ +2.000H2O + log_k +7.62 + delta_h -113.660 #kJ/mol +# Enthalpy of formation: -996.400 kJ/mol 95ROB/HEM + -analytic -12.29238E+0 00.00000E+0 59.36875E+2 00.00000E+0 00.00000E+0 + +Br2(l) +Br2 = -2.000e- +2.000Br- + log_k -36.39 + delta_h +242.820 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 61.50238E-1 00.00000E+0 -12.68337E+3 00.00000E+0 00.00000E+0 + +Brochantite +Cu4SO4(OH)6 = +4.000Cu+2 -6.000H+ +1.000SO4-2 +6.000H2O + log_k +15.54 + delta_h -176.191 #kJ/mol +# Enthalpy of formation: -2188.527 kJ/mol + -analytic -15.32734E+0 00.00000E+0 92.03097E+2 00.00000E+0 00.00000E+0 Brucite -Mg(OH)2 = 1.000Mg+2 - 2.000H+ + 2.000H2O - log_k 17.100 #03ALT/MET - delta_h -114.160 #kJ/mol - # Enthalpy of formation: -924.5 #kJ/mol #95ROB/HEM - -analytic -2.89994E+0 0E+0 5.96298E+3 0E+0 0E+0 +Mg(OH)2 = +1.000Mg+2 -2.000H+ +2.000H2O + log_k +17.10 #03ALT/MET + delta_h -114.160 #kJ/mol +# Enthalpy of formation: -924.500 kJ/mol 95ROB/HEM + -analytic -28.99973E-1 00.00000E+0 59.62992E+2 00.00000E+0 00.00000E+0 + -Vm 24.630 Brushite -Ca(HPO4):2H2O = 1.000Ca+2 - 1.000H+ + 1.000H2(PO4)- + 2.000H2O - log_k 0.600 #84NAN - delta_h -7.375 #kJ/mol - # Enthalpy of formation: -2409.885 #kJ/mol - -analytic -6.92043E-1 0E+0 3.85223E+2 0E+0 0E+0 +Ca(HPO4):2H2O = +1.000Ca+2 -1.000H+ +1.000H2(PO4)- +2.000H2O + log_k +0.60 #84NAN + delta_h -7.375 #kJ/mol +# Enthalpy of formation: -2409.884 kJ/mol + -analytic -69.20445E-2 00.00000E+0 38.52231E+1 00.00000E+0 00.00000E+0 Bunsenite -NiO = 1.000Ni+2 - 2.000H+ + 1.000H2O - log_k 12.480 - delta_h -101.142 #kJ/mol - # Enthalpy of formation: -239.7 #kJ/mol #05GAM/BUG - -analytic -5.23929E+0 0E+0 5.28301E+3 0E+0 0E+0 +NiO = +1.000Ni+2 -2.000H+ +1.000H2O + log_k +12.48 + delta_h -101.142 #kJ/mol +# Enthalpy of formation: -239.700 kJ/mol 05GAM/BUG + -analytic -52.39318E-1 00.00000E+0 52.83015E+2 00.00000E+0 00.00000E+0 Burkeite -Na6(CO3)(SO4)2 = 6.000Na+ + 1.000CO3-2 + 2.000SO4-2 - log_k -0.770 #84HAR/MOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.7E-1 0E+0 0E+0 0E+0 0E+0 +Na6(CO3)(SO4)2 = +6.000Na+ +1.000CO3-2 +2.000SO4-2 + log_k -0.77 #84HAR/MOL + -analytic -77.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 C(cr) -C = 2.000H+ + 1.000CO3-2 - 1.000H2O - 1.000O2 - log_k 53.830 - delta_h -377.266 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -1.22641E+1 0E+0 1.97059E+4 0E+0 0E+0 +C = +6.000H+ +4.000e- +1.000CO3-2 -3.000H2O + log_k -32.15 + delta_h +182.260 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -21.94186E-2 00.00000E+0 -95.20103E+2 00.00000E+0 00.00000E+0 C2SH(alpha) -Ca2(HSiO4)(OH) = 2.000Ca+2 - 4.000H+ + 1.000H4(SiO4) + 1.000H2O - log_k 35.540 - delta_h -198.104 #kJ/mol - # Enthalpy of formation: -2634.92 #kJ/mol #10BLA/BOU1 - -analytic 8.3372E-1 0E+0 1.03477E+4 0E+0 0E+0 +Ca2(HSiO4)(OH) = +2.000Ca+2 -4.000H+ +1.000H4(SiO4) +1.000H2O + log_k +35.54 + delta_h -198.104 #kJ/mol +# Enthalpy of formation: -2634.920 kJ/mol 10BLA/BOU1 + -analytic 83.36690E-2 00.00000E+0 10.34769E+3 00.00000E+0 00.00000E+0 + -Vm 71.120 C3AH6 -Ca3Al2(OH)12 = 3.000Ca+2 + 2.000Al+3 - 12.000H+ + 12.000H2O - log_k 80.320 #10BLA/BOU2 - delta_h -584.260 #kJ/mol - # Enthalpy of formation: -5551.5 #kJ/mol #99SCH/NAV - -analytic -2.20378E+1 0E+0 3.0518E+4 0E+0 0E+0 +Ca3Al2(OH)12 = +3.000Ca+2 +2.000Al+3 -12.000H+ +12.000H2O + log_k +80.32 #10BLA/BOU2 + delta_h -584.260 #kJ/mol +# Enthalpy of formation: -5551.500 kJ/mol 99SCH/NAV + -analytic -22.03796E+0 00.00000E+0 30.51803E+3 00.00000E+0 00.00000E+0 + -Vm 149.520 C3FH6 -Ca3Fe2(OH)12 = 3.000Ca+2 + 2.000Fe+3 - 12.000H+ + 12.000H2O - log_k 72.390 - delta_h -509.370 #kJ/mol - # Enthalpy of formation: -4647.59 #kJ/mol #10BLA/BOU2 - -analytic -1.68477E+1 0E+0 2.66062E+4 0E+0 0E+0 +Ca3Fe2(OH)12 = +3.000Ca+2 +2.000Fe+3 -12.000H+ +12.000H2O + log_k +72.33 + delta_h -511.482 #kJ/mol +# Enthalpy of formation: -4647.590 kJ/mol 10BLA/BOU2 + -analytic -17.27780E+0 00.00000E+0 26.71657E+3 00.00000E+0 00.00000E+0 + -Vm 154.500 C4AH13 -Ca4Al2(OH)14:6H2O = 4.000Ca+2 + 2.000Al+3 - 14.000H+ + 20.000H2O - log_k 103.650 #10BLA/BOU2 - delta_h -647.400 #kJ/mol - # Enthalpy of formation: -8318 #kJ/mol #76HOU/STE - -analytic -9.76944E+0 0E+0 3.3816E+4 0E+0 0E+0 +Ca4Al2(OH)14:6H2O = +4.000Ca+2 +2.000Al+3 -14.000H+ +20.000H2O + log_k +103.65 #10BLA/BOU2 + delta_h -647.400 #kJ/mol +# Enthalpy of formation: -8318.000 kJ/mol 76HOU/STE + -analytic -97.69611E-1 00.00000E+0 33.81606E+3 00.00000E+0 00.00000E+0 + -Vm 269.200 C4FH13 -Ca4Fe2(OH)14:6H2O = 4.000Ca+2 + 2.000Fe+3 - 14.000H+ + 20.000H2O - log_k 95.160 - delta_h -569.200 #kJ/mol - # Enthalpy of formation: -7417.4 #kJ/mol #10BLA/BOU2 - -analytic -4.55941E+0 0E+0 2.97313E+4 0E+0 0E+0 - -CSH0.8 -Ca0.8SiO2.8:1.54H2O = 0.800Ca+2 - 1.600H+ + 1.000H4(SiO4) + 0.340H2O - log_k 11.050 #10BLA/BOU1 - delta_h -47.646 #kJ/mol - # Enthalpy of formation: -1945.13 #kJ/mol #10BLA/BOU1 - -analytic 2.70279E+0 0E+0 2.48872E+3 0E+0 0E+0 - -CSH1.2 -Ca1.2SiO3.2:2.06H2O = 1.200Ca+2 - 2.400H+ + 1.000H4(SiO4) + 1.260H2O - log_k 19.300 #10BLA/BOU1 - delta_h -88.600 #kJ/mol - # Enthalpy of formation: -2384.34 #kJ/mol #10BLA/BOU1 - -analytic 3.77797E+0 0E+0 4.62789E+3 0E+0 0E+0 - -CSH1.6 -Ca1.6SiO3.6:2.58H2O = 1.600Ca+2 - 3.200H+ + 1.000H4(SiO4) + 2.180H2O - log_k 28.000 #10BLA/BOU1 - delta_h -133.313 #kJ/mol - # Enthalpy of formation: -2819.79 #kJ/mol #10BLA/BOU1 - -analytic 4.6446E+0 0E+0 6.96341E+3 0E+0 0E+0 +Ca4Fe2(OH)14:6H2O = +4.000Ca+2 +2.000Fe+3 -14.000H+ +20.000H2O + log_k +95.08 + delta_h -571.312 #kJ/mol +# Enthalpy of formation: -7417.400 kJ/mol 10BLA/BOU2 + -analytic -50.09566E-1 00.00000E+0 29.84170E+3 00.00000E+0 00.00000E+0 + -Vm 274.400 Ca(Adipate)(s) -Ca(Adipate) = 1.000Ca+2 + 1.000Adipate-2 - log_k -3.300 #12GRI/GAR2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.3E+0 0E+0 0E+0 0E+0 0E+0 +Ca(Adipate) = +1.000Ca+2 +1.000Adipate-2 + log_k -3.30 #12GRI/GAR2 + -analytic -33.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Ca(cr) +Ca = +1.000Ca+2 +2.000e- + log_k +96.85 + delta_h -543.000 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 17.20484E-1 00.00000E+0 28.36287E+3 00.00000E+0 00.00000E+0 Ca(HGlu)2(s) -Ca(HGlu)2 = 1.000Ca+2 + 2.000HGlu- - log_k -4.190 #99VAN/GLA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.19E+0 0E+0 0E+0 0E+0 0E+0 +Ca(HGlu)2 = +1.000Ca+2 +2.000HGlu- + log_k -4.19 #99VAN/GLA + -analytic -41.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Ca(HIsa)2(cr) -Ca(HIsa)2 = 1.000Ca+2 + 2.000HIsa- - log_k -6.400 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.4E+0 0E+0 0E+0 0E+0 0E+0 +Ca(HIsa)2 = +1.000Ca+2 +2.000HIsa- + log_k -6.40 #05HUM/AND + -analytic -64.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Ca(HPO4)(s) -Ca(HPO4) = 1.000Ca+2 - 1.000H+ + 1.000H2(PO4)- - log_k 0.300 #84NAN - delta_h -24.098 #kJ/mol - # Enthalpy of formation: -1821.502 #kJ/mol - -analytic -3.92178E+0 0E+0 1.25872E+3 0E+0 0E+0 +Ca(HPO4) = +1.000Ca+2 -1.000H+ +1.000H2(PO4)- + log_k +0.30 #84NAN + delta_h -24.098 #kJ/mol +# Enthalpy of formation: -1821.502 kJ/mol + -analytic -39.21788E-1 00.00000E+0 12.58726E+2 00.00000E+0 00.00000E+0 Ca(NO3)2(s) -Ca(NO3)2 = 1.000Ca+2 + 2.000NO3- - log_k 5.890 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.89E+0 0E+0 0E+0 0E+0 0E+0 +Ca(NO3)2 = +1.000Ca+2 +2.000NO3- + log_k +5.89 #96FAL/REA + -analytic 58.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Ca(Ox):2H2O(s) -Ca(Ox):2H2O = 1.000Ca+2 + 1.000Ox-2 + 2.000H2O - log_k -8.300 #05HUM/AND - delta_h 25.200 #kJ/mol - # Enthalpy of formation: -1970.52 #kJ/mol - -analytic -3.88516E+0 0E+0 -1.31629E+3 0E+0 0E+0 +Ca(Ox):2H2O = +1.000Ca+2 +1.000Ox-2 +2.000H2O + log_k -8.30 #05HUM/AND + delta_h +25.200 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1970.520 kJ/mol + -analytic -38.85150E-1 00.00000E+0 -13.16288E+2 00.00000E+0 00.00000E+0 Ca(Ox):3H2O(s) -Ca(Ox):3H2O = 1.000Ca+2 + 1.000Ox-2 + 3.000H2O - log_k -8.190 #05HUM/AND - delta_h 29.700 #kJ/mol - # Enthalpy of formation: -2260.85 #kJ/mol - -analytic -2.98679E+0 0E+0 -1.55134E+3 0E+0 0E+0 +Ca(Ox):3H2O = +1.000Ca+2 +1.000Ox-2 +3.000H2O + log_k -8.19 #05HUM/AND + delta_h +29.700 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2260.850 kJ/mol + -analytic -29.86783E-1 00.00000E+0 -15.51339E+2 00.00000E+0 00.00000E+0 Ca(Ox):H2O(s) -Ca(Ox):H2O = 1.000Ca+2 + 1.000Ox-2 + 1.000H2O - log_k -8.730 #05HUM/AND - delta_h 21.500 #kJ/mol - # Enthalpy of formation: -1680.99 #kJ/mol - -analytic -4.96337E+0 0E+0 -1.12302E+3 0E+0 0E+0 - -Ca(SO3)(s) -Ca(SO3) = 1.000Ca+2 + 1.000SO3-2 - log_k -6.500 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.5E+0 0E+0 0E+0 0E+0 0E+0 +Ca(Ox):H2O = +1.000Ca+2 +1.000Ox-2 +1.000H2O + log_k -8.73 #05HUM/AND + delta_h +21.500 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1680.990 kJ/mol + -analytic -49.63362E-1 00.00000E+0 -11.23023E+2 00.00000E+0 00.00000E+0 Ca(SeO3):H2O(s) -Ca(SeO3):H2O = 1.000Ca+2 + 1.000SeO3-2 + 1.000H2O - log_k -6.400 #05OLI/NOL - delta_h -11.190 #kJ/mol - # Enthalpy of formation: -1324.8 #kJ/mol #05OLI/NOL - -analytic -8.3604E+0 0E+0 5.84494E+2 0E+0 0E+0 +Ca(SeO3):H2O = +1.000Ca+2 +1.000SeO3-2 +1.000H2O + log_k -6.40 #05OLI/NOL + delta_h -11.190 #kJ/mol +# Enthalpy of formation: -1324.800 kJ/mol 05OLI/NOL + -analytic -83.60404E-1 00.00000E+0 58.44944E+1 00.00000E+0 00.00000E+0 Ca(SeO4):2H2O(s) -Ca(SeO4):2H2O = 1.000Ca+2 + 1.000SeO4-2 + 2.000H2O - log_k -2.680 #05OLI/NOL - delta_h -9.160 #kJ/mol - # Enthalpy of formation: -1709 #kJ/mol #05OLI/NOL - -analytic -4.28476E+0 0E+0 4.78459E+2 0E+0 0E+0 - -Ca(s) -Ca = 1.000Ca+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 139.840 - delta_h -822.763 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -4.30168E+0 0E+0 4.29758E+4 0E+0 0E+0 +Ca(SeO4):2H2O = +1.000Ca+2 +1.000SeO4-2 +2.000H2O + log_k -2.68 #05OLI/NOL + delta_h -9.160 #kJ/mol +# Enthalpy of formation: -1709.000 kJ/mol 05OLI/NOL + -analytic -42.84763E-1 00.00000E+0 47.84601E+1 00.00000E+0 00.00000E+0 + +Ca(SO3)(s) +Ca(SO3) = +1.000Ca+2 +1.000SO3-2 + log_k -6.50 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) + -analytic -65.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Ca0.5NpO2(OH)2:1.3H2O(cr) +Ca0.5NpO2(OH)2:1.3H2O = +0.500Ca+2 +1.000NpO2+ -2.000H+ +3.300H2O + log_k +12.30 #20GRE/GAO + -analytic 12.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Ca2(Pyrophos)(s) -Ca2(Pyrophos) = 2.000Ca+2 + 1.000Pyrophos-4 - log_k -15.500 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.55E+1 0E+0 0E+0 0E+0 0E+0 +Ca2(Pyrophos) = +2.000Ca+2 +1.000Pyrophos-4 + log_k -15.50 #88CHA/NEW + -analytic -15.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Ca2Cl2(OH)2:H2O(s) -Ca2Cl2(OH)2:H2O = 2.000Ca+2 - 2.000H+ + 2.000Cl- + 3.000H2O - log_k 26.530 #84HAR/MOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.653E+1 0E+0 0E+0 0E+0 0E+0 +Ca2Cl2(OH)2:H2O = +2.000Ca+2 -2.000H+ +2.000Cl- +3.000H2O + log_k +26.53 #84HAR/MOL + -analytic 26.53000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Ca2Fe2O5(s) -Ca2Fe2O5 = 2.000Ca+2 + 2.000Fe+3 - 10.000H+ + 5.000H2O - log_k 56.760 - delta_h -473.870 #kJ/mol - # Enthalpy of formation: -2138.3 #kJ/mol - -analytic -2.62583E+1 0E+0 2.47519E+4 0E+0 0E+0 +Ca2Fe2O5 = +2.000Ca+2 +2.000Fe+3 -10.000H+ +5.000H2O + log_k +56.74 + delta_h -476.962 #kJ/mol +# Enthalpy of formation: -2138.300 kJ/mol 95ROB/HEM + -analytic -26.82016E+0 00.00000E+0 24.91346E+3 00.00000E+0 00.00000E+0 Ca2ZrSi3O12(cr) -Ca2ZrSi3O12 = 2.000Ca+2 - 8.000H+ + 3.000H4(SiO4) + 1.000Zr+4 - 2.000H2O + 1.000O2 - log_k -154.250 - delta_h 764.444 #kJ/mol - # Enthalpy of formation: -6283 #kJ/mol #05BRO/CUR - -analytic -2.03254E+1 0E+0 -3.99296E+4 0E+0 0E+0 +Ca2ZrSi3O12 = +2.000Ca+2 -12.000H+ -4.000e- +3.000H4(SiO4) +1.000Zr+4 + log_k -68.27 + delta_h +204.918 #kJ/mol +# Enthalpy of formation: -6283.000 kJ/mol 05BRO/CUR + -analytic -32.36991E+0 00.00000E+0 -10.70361E+3 00.00000E+0 00.00000E+0 Ca3(AsO4)2:xH2O -Ca3(AsO4)2 = 3.000Ca+2 + 2.000AsO4-3 - log_k -21.000 #11GRI/COL4 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0 +Ca3(AsO4)2 = +3.000Ca+2 +2.000AsO4-3 + log_k -21.00 #11GRI/COL4 + -analytic -21.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Ca3(Cit)2:4H2O(s) -Ca3(Cit)2:4H2O = 3.000Ca+2 + 2.000Cit-3 + 4.000H2O - log_k -17.900 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.79E+1 0E+0 0E+0 0E+0 0E+0 +Ca3(Cit)2:4H2O = +3.000Ca+2 +2.000Cit-3 +4.000H2O + log_k -17.90 #05HUM/AND + -analytic -17.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Ca3(PO4)2(alfa) -Ca3(PO4)2 = 3.000Ca+2 - 4.000H+ + 2.000H2(PO4)- - log_k 10.220 #84NAN - delta_h -125.300 #kJ/mol - # Enthalpy of formation: -4108.9 #kJ/mol - -analytic -1.17316E+1 0E+0 6.54487E+3 0E+0 0E+0 +Ca3(PO4)2 = +3.000Ca+2 -4.000H+ +2.000H2(PO4)- + log_k +10.22 #84NAN + delta_h -125.300 #kJ/mol +# Enthalpy of formation: -4108.898 kJ/mol + -analytic -11.73162E+0 00.00000E+0 65.44875E+2 00.00000E+0 00.00000E+0 Ca3B2O6(s) -Ca3B2O6 = 3.000Ca+2 - 4.000H+ + 2.000B(OH)4- - 2.000H2O - log_k 40.580 - delta_h -318.306 #kJ/mol - # Enthalpy of formation: -3429.266 #kJ/mol - -analytic -1.51847E+1 0E+0 1.66263E+4 0E+0 0E+0 +Ca3B2O6 = +3.000Ca+2 -4.000H+ +2.000B(OH)4- -2.000H2O + log_k +40.58 + delta_h -318.306 #kJ/mol +# Enthalpy of formation: -3429.266 kJ/mol + -analytic -15.18482E+0 00.00000E+0 16.62628E+3 00.00000E+0 00.00000E+0 Ca3ZrSi2O9(cr) -Ca3ZrSi2O9 = 3.000Ca+2 - 10.000H+ + 2.000H4(SiO4) + 1.000Zr+4 + 1.000H2O - log_k 47.870 - delta_h -416.718 #kJ/mol - # Enthalpy of formation: -5029 #kJ/mol #05BRO/CUR - -analytic -2.51358E+1 0E+0 2.17667E+4 0E+0 0E+0 +Ca3ZrSi2O9 = +3.000Ca+2 -10.000H+ +2.000H4(SiO4) +1.000Zr+4 +1.000H2O + log_k +47.87 + delta_h -416.718 #kJ/mol +# Enthalpy of formation: -5029.000 kJ/mol 05BRO/CUR + -analytic -25.13586E+0 00.00000E+0 21.76670E+3 00.00000E+0 00.00000E+0 Ca4Al2O6(CrO4):15H2O(s) -Ca4Al2O6(CrO4):15H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000CrO4-2 + 21.000H2O - log_k 71.360 #01PER/PAL - delta_h -545.980 #kJ/mol #01PER/PAL - # Enthalpy of formation: -9584.25 #kJ/mol - -analytic -2.42914E+1 0E+0 2.85185E+4 0E+0 0E+0 +Ca4Al2O6(CrO4):15H2O = +4.000Ca+2 +2.000Al+3 -12.000H+ +1.000CrO4-2 +21.000H2O + log_k +71.36 #01PER/PAL + delta_h -545.980 #kJ/mol 01PER/PAL +# Enthalpy of formation: -9584.250 kJ/mol + -analytic -24.29159E+0 00.00000E+0 28.51852E+3 00.00000E+0 00.00000E+0 Ca4Cl2(OH)6:13H2O(s) -Ca4Cl2(OH)6:13H2O = 4.000Ca+2 - 6.000H+ + 2.000Cl- + 19.000H2O - log_k 68.730 #84HAR/MOL - delta_h -271.930 #kJ/mol - # Enthalpy of formation: -7665 #kJ/mol #82WAG/EVA - -analytic 2.109E+1 0E+0 1.42039E+4 0E+0 0E+0 +Ca4Cl2(OH)6:13H2O = +4.000Ca+2 -6.000H+ +2.000Cl- +19.000H2O + log_k +68.73 #84HAR/MOL + delta_h -271.930 #kJ/mol +# Enthalpy of formation: -7665.000 kJ/mol 82WAG/EVA + -analytic 21.08991E+0 00.00000E+0 14.20389E+3 00.00000E+0 00.00000E+0 Ca4H(PO4)3:2.5H2O(s) -Ca4H(PO4)3:2.5H2O = 4.000Ca+2 - 5.000H+ + 3.000H2(PO4)- + 2.500H2O - log_k 11.810 #84NAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.181E+1 0E+0 0E+0 0E+0 0E+0 +Ca4H(PO4)3:2.5H2O = +4.000Ca+2 -5.000H+ +3.000H2(PO4)- +2.500H2O + log_k +11.81 #84NAN + -analytic 11.81000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Ca6(Al(OH)6)2(CrO4)3:26H2O(s) -Ca6(Al(OH)6)2(CrO4)3:26H2O = 6.000Ca+2 + 2.000Al+3 - 12.000H+ + 3.000CrO4-2 + 38.000H2O - log_k 60.280 #00PER/PAL - delta_h -509.590 #kJ/mol #00PER/PAL - # Enthalpy of formation: -17323.75 #kJ/mol - -analytic -2.89962E+1 0E+0 2.66177E+4 0E+0 0E+0 +Ca6(Al(OH)6)2(CrO4)3:26H2O = +6.000Ca+2 +2.000Al+3 -12.000H+ +3.000CrO4-2 +38.000H2O + log_k +60.28 #00PER/PAL + delta_h -509.590 #kJ/mol 00PER/PAL +# Enthalpy of formation: -17323.750kJ/mol + -analytic -28.99634E+0 00.00000E+0 26.61774E+3 00.00000E+0 00.00000E+0 CaB2O4(s) -CaB2O4 = 1.000Ca+2 + 2.000B(OH)4- - 4.000H2O - log_k -2.180 - delta_h -58.908 #kJ/mol - # Enthalpy of formation: -2031.004 #kJ/mol - -analytic -1.25002E+1 0E+0 3.07697E+3 0E+0 0E+0 +CaB2O4 = +1.000Ca+2 +2.000B(OH)4- -4.000H2O + log_k -2.18 + delta_h -58.894 #kJ/mol +# Enthalpy of formation: -2031.019 kJ/mol + -analytic -12.49779E+0 00.00000E+0 30.76248E+2 00.00000E+0 00.00000E+0 CaB4O7(s) -CaB4O7 = 1.000Ca+2 + 2.000H+ + 4.000B(OH)4- - 9.000H2O - log_k -23.440 - delta_h 9.373 #kJ/mol - # Enthalpy of formation: -3360.367 #kJ/mol - -analytic -2.17979E+1 0E+0 -4.89585E+2 0E+0 0E+0 - -CaCO3:H2O(s) -CaCO3:H2O = 1.000Ca+2 + 1.000CO3-2 + 1.000H2O - log_k -7.600 #73HUL/TUR - delta_h -5.770 #kJ/mol - # Enthalpy of formation: -1498.29 #kJ/mol #73HUL/TUR - -analytic -8.61086E+0 0E+0 3.01388E+2 0E+0 0E+0 +CaB4O7 = +1.000Ca+2 +2.000H+ +4.000B(OH)4- -9.000H2O + log_k -23.44 + delta_h +9.371 #kJ/mol +# Enthalpy of formation: -3360.367 kJ/mol + -analytic -21.79827E+0 00.00000E+0 -48.94814E+1 00.00000E+0 00.00000E+0 CaCl2:2H2O(cr) -CaCl2:2H2O = 1.000Ca+2 + 2.000Cl- + 2.000H2O - log_k 7.950 - delta_h -44.790 #kJ/mol - # Enthalpy of formation: -1404.03 #kJ/mol #87GAR/PAR - -analytic 1.0314E-1 0E+0 2.33954E+3 0E+0 0E+0 +CaCl2:2H2O = +1.000Ca+2 +2.000Cl- +2.000H2O + log_k +7.95 + delta_h -44.790 #kJ/mol +# Enthalpy of formation: -1404.030 kJ/mol 87GAR/PAR + -analytic 10.31288E-2 00.00000E+0 23.39545E+2 00.00000E+0 00.00000E+0 CaCl2:4H2O(cr) -CaCl2:4H2O = 1.000Ca+2 + 2.000Cl- + 4.000H2O - log_k 5.350 - delta_h -11.310 #kJ/mol - # Enthalpy of formation: -2009.17 #kJ/mol #87GAR/PAR - -analytic 3.36858E+0 0E+0 5.90762E+2 0E+0 0E+0 +CaCl2:4H2O = +1.000Ca+2 +2.000Cl- +4.000H2O + log_k +5.35 + delta_h -11.310 #kJ/mol +# Enthalpy of formation: -2009.170 kJ/mol 87GAR/PAR + -analytic 33.68573E-1 00.00000E+0 59.07624E+1 00.00000E+0 00.00000E+0 CaCl2:H2O(s) -CaCl2:H2O = 1.000Ca+2 + 2.000Cl- + 1.000H2O - log_k 7.850 - delta_h -52.160 #kJ/mol - # Enthalpy of formation: -1110.83 #kJ/mol #87GAR/PAR - -analytic -1.28803E+0 0E+0 2.7245E+3 0E+0 0E+0 +CaCl2:H2O = +1.000Ca+2 +2.000Cl- +1.000H2O + log_k +7.85 + delta_h -52.160 #kJ/mol +# Enthalpy of formation: -1110.830 kJ/mol 87GAR/PAR + -analytic -12.88040E-1 00.00000E+0 27.24507E+2 00.00000E+0 00.00000E+0 + +CaCO3:H2O(s) +CaCO3:H2O = +1.000Ca+2 +1.000CO3-2 +1.000H2O + log_k -7.60 #73HUL/TUR + delta_h -5.770 #kJ/mol +# Enthalpy of formation: -1498.290 kJ/mol 73HUL/TUR + -analytic -86.10861E-1 00.00000E+0 30.13881E+1 00.00000E+0 00.00000E+0 CaCrO4(s) -CaCrO4 = 1.000Ca+2 + 1.000CrO4-2 - log_k -3.150 #03DEA - delta_h -22.814 #kJ/mol - # Enthalpy of formation: -1399.186 #kJ/mol - -analytic -7.14684E+0 0E+0 1.19166E+3 0E+0 0E+0 +CaCrO4 = +1.000Ca+2 +1.000CrO4-2 + log_k -3.15 #03DEA + delta_h -22.807 #kJ/mol +# Enthalpy of formation: -1399.193 kJ/mol + -analytic -71.45615E-1 00.00000E+0 11.91293E+2 00.00000E+0 00.00000E+0 + +Cadmoselite +CdSe = +1.000Cd+2 -1.000H+ +1.000HSe- + log_k -18.68 + delta_h +81.480 #kJ/mol +# Enthalpy of formation: -143.100 kJ/mol 05OLI/NOL + -analytic -44.05317E-1 00.00000E+0 -42.55997E+2 00.00000E+0 00.00000E+0 CaF2:6H2O(s) -CaF2:6H2O = 1.000Ca+2 + 2.000F- + 6.000H2O - log_k -5.480 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.48E+0 0E+0 0E+0 0E+0 0E+0 +CaF2:6H2O = +1.000Ca+2 +2.000F- +6.000H2O + log_k -5.48 #96FAL/REA + -analytic -54.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 CaFe2O4(s) -CaFe2O4 = 1.000Ca+2 + 2.000Fe+3 - 8.000H+ + 4.000H2O - log_k 21.240 #79ROB - delta_h -263.980 #kJ/mol - # Enthalpy of formation: -1520.34 #kJ/mol - -analytic -2.50072E+1 0E+0 1.37886E+4 0E+0 0E+0 +CaFe2O4 = +1.000Ca+2 +2.000Fe+3 -8.000H+ +4.000H2O + log_k +21.24 #79ROB + delta_h -263.980 #kJ/mol 79ROB +# Enthalpy of formation: -1522.452 kJ/mol + -analytic -25.00731E+0 00.00000E+0 13.78864E+3 00.00000E+0 00.00000E+0 CaI2(s) -CaI2 = 1.000Ca+2 + 2.000I- - log_k 22.500 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.25E+1 0E+0 0E+0 0E+0 0E+0 +CaI2 = +1.000Ca+2 +2.000I- + log_k +22.50 #96FAL/REA + -analytic 22.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Calcite +CaCO3 = +1.000Ca+2 +1.000CO3-2 + log_k -8.48 #82PLUM/BUS + delta_h -10.620 #kJ/mol 82PLUM/BUS +# Enthalpy of formation: -1207.610 kJ/mol + -analytic -10.34054E+0 00.00000E+0 55.47212E+1 00.00000E+0 00.00000E+0 + -Vm 36.930 CaMg3(CO3)4(s) -CaMg3(CO3)4 = 1.000Ca+2 + 3.000Mg+2 + 4.000CO3-2 - log_k -30.810 # - delta_h -112.340 #kJ/mol - # Enthalpy of formation: -4532.58 #kJ/mol #73HEM/ROB - -analytic -5.04911E+1 0E+0 5.86792E+3 0E+0 0E+0 +CaMg3(CO3)4 = +1.000Ca+2 +3.000Mg+2 +4.000CO3-2 + log_k -30.81 + delta_h -112.340 #kJ/mol +# Enthalpy of formation: -4532.580 kJ/mol 73HEM/ROB + -analytic -50.49112E+0 00.00000E+0 58.67927E+2 00.00000E+0 00.00000E+0 CaMoO4(s) -CaMoO4 = 1.000Ca+2 + 1.000MoO4-2 - log_k -7.900 - delta_h 1.424 #kJ/mol - # Enthalpy of formation: -1541.424 #kJ/mol - -analytic -7.65053E+0 0E+0 -7.43806E+1 0E+0 0E+0 +CaMoO4 = +1.000Ca+2 +1.000MoO4-2 + log_k -7.90 + delta_h +1.427 #kJ/mol +# Enthalpy of formation: -1541.427 kJ/mol + -analytic -76.50000E-1 00.00000E+0 -74.53740E+0 00.00000E+0 00.00000E+0 CaO(cr) -CaO = 1.000Ca+2 - 2.000H+ + 1.000H2O - log_k 32.700 - delta_h -193.910 #kJ/mol - # Enthalpy of formation: -634.92 #kJ/mol #89COX/WAG - -analytic -1.27152E+0 0E+0 1.01286E+4 0E+0 0E+0 - -CaSn(OH)6(s) -CaSn(OH)6 = 1.000Ca+2 + 1.000Sn+4 - 6.000H+ + 6.000H2O - log_k -0.740 #Log K¿ estimated as the mean value of data in 00LOT/OCH2 (uncertainty to include both values) recalculated using values of Sn(OH)6-2 selected in this work - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.4E-1 0E+0 0E+0 0E+0 0E+0 - -CaU2O7:3H2O(cr) -CaU2O7:3H2O = 1.000Ca+2 + 2.000UO2+2 - 6.000H+ + 6.000H2O - log_k 23.400 #05ALT/NEC - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.34E+1 0E+0 0E+0 0E+0 0E+0 - -Cadmoselite -CdSe = 1.000Cd+2 - 1.000H+ + 1.000HSe- - log_k -18.680 - delta_h 81.480 #kJ/mol - # Enthalpy of formation: -143.1 #kJ/mol #05OLI/NOL - -analytic -4.40534E+0 0E+0 -4.25599E+3 0E+0 0E+0 - -Calcite -CaCO3 = 1.000Ca+2 + 1.000CO3-2 - log_k -8.480 #82PLUM/BUS - delta_h -10.620 #kJ/mol #82PLUM/BUS - # Enthalpy of formation: -1207.61 #kJ/mol - -analytic -1.03405E+1 0E+0 5.5472E+2 0E+0 0E+0 +CaO = +1.000Ca+2 -2.000H+ +1.000H2O + log_k +32.70 + delta_h -193.910 #kJ/mol +# Enthalpy of formation: -634.920 kJ/mol 89COX/WAG + -analytic -12.71574E-1 00.00000E+0 10.12862E+3 00.00000E+0 00.00000E+0 Carnallite -KMgCl3:6H2O = 1.000Mg+2 + 1.000K+ + 3.000Cl- + 6.000H2O - log_k 4.330 #84HAR/MOL - delta_h 9.339 #kJ/mol - # Enthalpy of formation: -2944.699 #kJ/mol #74NAU/RYZ - -analytic 5.96612E+0 0E+0 -4.87809E+2 0E+0 0E+0 +KMgCl3:6H2O = +1.000Mg+2 +1.000K+ +3.000Cl- +6.000H2O + log_k +4.33 #84HAR/MOL + delta_h +9.339 #kJ/mol +# Enthalpy of formation: -2944.699 kJ/mol 74NAU/RYZ + -analytic 59.66123E-1 00.00000E+0 -48.78099E+1 00.00000E+0 00.00000E+0 + +CaSn(OH)6(s) +CaSn(OH)6 = +1.000Ca+2 +1.000Sn+4 -6.000H+ +6.000H2O + log_k -0.74 #Log Kº estimated as the mean value of data in 00LOT/OCH2 (uncertainty to include both values) recalculated using values of Sn(OH)6-2 selected in this work + -analytic -74.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Cassiterite -SnO2 = 1.000Sn+4 - 4.000H+ + 2.000H2O - log_k -15.600 - delta_h -25.529 #kJ/mol - # Enthalpy of formation: -577.63 #kJ/mol #12GAM/GAJ - -analytic -2.00725E+1 0E+0 1.33347E+3 0E+0 0E+0 +SnO2 = +1.000Sn+4 -4.000H+ +2.000H2O + log_k -15.60 + delta_h -25.541 #kJ/mol +# Enthalpy of formation: -577.630 kJ/mol 12GAM/GAJ + -analytic -20.07459E+0 00.00000E+0 13.34099E+2 00.00000E+0 00.00000E+0 Cattierite -CoS2 = 1.000Co+2 + 2.000HS- - 1.000H2O + 0.500O2 - log_k -62.970 - delta_h 340.463 #kJ/mol - # Enthalpy of formation: -150.9 #kJ/mol #95ROB/HEM - -analytic -3.32353E+0 0E+0 -1.77836E+4 0E+0 0E+0 +CoS2 = +1.000Co+2 -2.000H+ -2.000e- +2.000HS- + log_k -19.98 + delta_h +60.700 #kJ/mol +# Enthalpy of formation: -150.900 kJ/mol 95ROB/HEM + -analytic -93.45816E-1 00.00000E+0 -31.70582E+2 00.00000E+0 00.00000E+0 + +CaU2O7:3H2O(cr) +CaU2O7:3H2O = +1.000Ca+2 +2.000UO2+2 -6.000H+ +6.000H2O + log_k +23.40 #05ALT/NEC + -analytic 23.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Cd(CO3)(s) -Cd(CO3) = 1.000Cd+2 + 1.000CO3-2 - log_k -12.100 #91RAI/FEL1 - delta_h 1.482 #kJ/mol - # Enthalpy of formation: -752.632 #kJ/mol - -analytic -1.18404E+1 0E+0 -7.74101E+1 0E+0 0E+0 +Cd(CO3) = +1.000Cd+2 +1.000CO3-2 + log_k -12.10 #91RAI/FEL1 + delta_h +1.482 #kJ/mol +# Enthalpy of formation: -752.633 kJ/mol + -analytic -11.84036E+0 00.00000E+0 -77.41025E+0 00.00000E+0 00.00000E+0 + +Cd(cr) +Cd = +1.000Cd+2 +2.000e- + log_k +13.62 + delta_h -75.920 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 31.93869E-2 00.00000E+0 39.65578E+2 00.00000E+0 00.00000E+0 Cd(OH)2(s) -Cd(OH)2 = 1.000Cd+2 - 2.000H+ + 2.000H2O - log_k 13.860 #91RAI/FEL1 - delta_h -87.730 #kJ/mol - # Enthalpy of formation: -559.85 #kJ/mol - -analytic -1.50961E+0 0E+0 4.58245E+3 0E+0 0E+0 +Cd(OH)2 = +1.000Cd+2 -2.000H+ +2.000H2O + log_k +13.86 #91RAI/FEL1 + delta_h -87.730 #kJ/mol +# Enthalpy of formation: -559.850 kJ/mol + -analytic -15.09636E-1 00.00000E+0 45.82457E+2 00.00000E+0 00.00000E+0 Cd(SO4)(cr) -Cd(SO4) = 1.000Cd+2 + 1.000SO4-2 - log_k -0.160 - delta_h -51.980 #kJ/mol - # Enthalpy of formation: -933.28 #kJ/mol #82WAG/EVA - -analytic -9.26649E+0 0E+0 2.7151E+3 0E+0 0E+0 +Cd(SO4) = +1.000Cd+2 +1.000SO4-2 + log_k -0.16 + delta_h -51.980 #kJ/mol +# Enthalpy of formation: -933.280 kJ/mol 82WAG/EVA + -analytic -92.66505E-1 00.00000E+0 27.15104E+2 00.00000E+0 00.00000E+0 Cd(SO4):2.67H2O(cr) -Cd(SO4):2.67H2O = 1.000Cd+2 + 1.000SO4-2 + 2.670H2O - log_k -1.550 - delta_h -20.126 #kJ/mol - # Enthalpy of formation: -1728.3 #kJ/mol #89COX/WAG - -analytic -5.07592E+0 0E+0 1.05125E+3 0E+0 0E+0 - -Cd(SeCn)2(cr) -Cd(SeCn)2 = 1.000Cd+2 + 2.000H+ + 2.000Cn- + 2.000HSe- - 2.000H2O + 1.000O2 - log_k -117.730 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.1773E+2 0E+0 0E+0 0E+0 0E+0 - -Cd(cr) -Cd = 1.000Cd+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 56.610 - delta_h -355.683 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -5.7029E+0 0E+0 1.85786E+4 0E+0 0E+0 +Cd(SO4):2.67H2O = +1.000Cd+2 +1.000SO4-2 +2.670H2O + log_k -1.55 + delta_h -20.126 #kJ/mol +# Enthalpy of formation: -1728.300 kJ/mol 89COX/WAG + -analytic -50.75924E-1 00.00000E+0 10.51254E+2 00.00000E+0 00.00000E+0 Cd3(AsO4)2(s) -Cd3(AsO4)2 = 3.000Cd+2 + 2.000AsO4-3 - log_k -32.620 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.262E+1 0E+0 0E+0 0E+0 0E+0 +Cd3(AsO4)2 = +3.000Cd+2 +2.000AsO4-3 + log_k -32.62 + -analytic -32.62000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Cd3(PO4)2(s) -Cd3(PO4)2 = 3.000Cd+2 - 4.000H+ + 2.000H2(PO4)- - log_k 8.970 - delta_h -206.960 #kJ/mol - # Enthalpy of formation: -2626 #kJ/mol #01BEN/JEM - -analytic -2.72878E+1 0E+0 1.08103E+4 0E+0 0E+0 +Cd3(PO4)2 = +3.000Cd+2 -4.000H+ +2.000H2(PO4)- + log_k +8.97 + delta_h -206.960 #kJ/mol +# Enthalpy of formation: -2626.000 kJ/mol 01BEN/JEM + -analytic -27.28784E+0 00.00000E+0 10.81027E+3 00.00000E+0 00.00000E+0 Cd5(PO4)3Cl(cr) -Cd5(PO4)3Cl = 5.000Cd+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)- - log_k 12.670 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.267E+1 0E+0 0E+0 0E+0 0E+0 +Cd5(PO4)3Cl = +5.000Cd+2 -6.000H+ +1.000Cl- +3.000H2(PO4)- + log_k +12.67 + -analytic 12.67000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Cd5(PO4)3OH(cr) -Cd5(PO4)3OH = 5.000Cd+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O - log_k 19.840 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.984E+1 0E+0 0E+0 0E+0 0E+0 +Cd5(PO4)3OH = +5.000Cd+2 -7.000H+ +3.000H2(PO4)- +1.000H2O + log_k +19.84 + -analytic 19.84000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 CdB2O4(s) -CdB2O4 = 1.000Cd+2 + 2.000B(OH)4- - 4.000H2O - log_k -8.640 #91BAL/NOR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -8.64E+0 0E+0 0E+0 0E+0 0E+0 +CdB2O4 = +1.000Cd+2 +2.000B(OH)4- -4.000H2O + log_k -8.64 #91BAL/NOR + -analytic -86.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 CdCl2(s) -CdCl2 = 1.000Cd+2 + 2.000Cl- - log_k -0.660 - delta_h -18.580 #kJ/mol - # Enthalpy of formation: -391.5 #kJ/mol #74NAU/RYZ - -analytic -3.91507E+0 0E+0 9.705E+2 0E+0 0E+0 +CdCl2 = +1.000Cd+2 +2.000Cl- + log_k -0.66 + delta_h -18.580 #kJ/mol +# Enthalpy of formation: -391.500 kJ/mol 74NAU/RYZ + -analytic -39.15076E-1 00.00000E+0 97.05010E+1 00.00000E+0 00.00000E+0 CdCl2:2.5H2O(s) -CdCl2:2.5H2O = 1.000Cd+2 + 2.000Cl- + 2.500H2O - log_k -1.900 - delta_h 7.285 #kJ/mol - # Enthalpy of formation: -1131.94 #kJ/mol #82WAG/EVA - -analytic -6.23725E-1 0E+0 -3.80521E+2 0E+0 0E+0 +CdCl2:2.5H2O = +1.000Cd+2 +2.000Cl- +2.500H2O + log_k -1.90 + delta_h +7.285 #kJ/mol +# Enthalpy of formation: -1131.940 kJ/mol 82WAG/EVA + -analytic -62.37228E-2 00.00000E+0 -38.05221E+1 00.00000E+0 00.00000E+0 CdCl2:H2O(cr) -CdCl2:H2O = 1.000Cd+2 + 2.000Cl- + 1.000H2O - log_k -1.690 - delta_h -7.470 #kJ/mol - # Enthalpy of formation: -688.44 #kJ/mol #82WAG/EVA - -analytic -2.99869E+0 0E+0 3.90185E+2 0E+0 0E+0 +CdCl2:H2O = +1.000Cd+2 +2.000Cl- +1.000H2O + log_k -1.69 + delta_h -7.470 #kJ/mol +# Enthalpy of formation: -688.440 kJ/mol 82WAG/EVA + -analytic -29.98688E-1 00.00000E+0 39.01853E+1 00.00000E+0 00.00000E+0 CdO(s) -CdO = 1.000Cd+2 - 2.000H+ + 1.000H2O - log_k 15.100 - delta_h -103.400 #kJ/mol - # Enthalpy of formation: -258.35 #kJ/mol #89COX/WAG - -analytic -3.01488E+0 0E+0 5.40095E+3 0E+0 0E+0 +CdO = +1.000Cd+2 -2.000H+ +1.000H2O + log_k +15.10 + delta_h -103.400 #kJ/mol +# Enthalpy of formation: -258.350 kJ/mol 89COX/WAG + -analytic -30.14902E-1 00.00000E+0 54.00958E+2 00.00000E+0 00.00000E+0 CdS(s) -CdS = 1.000Cd+2 - 1.000H+ + 1.000HS- - log_k -14.820 #99WAN/TES - delta_h 56.570 #kJ/mol - # Enthalpy of formation: -148.79 #kJ/mol #06DEO/NAV - -analytic -4.90938E+0 0E+0 -2.95485E+3 0E+0 0E+0 +CdS = +1.000Cd+2 -1.000H+ +1.000HS- + log_k -14.82 #99WAN/TES + delta_h +56.570 #kJ/mol +# Enthalpy of formation: -148.790 kJ/mol 06DEO/NAV + -analytic -49.09361E-1 00.00000E+0 -29.54857E+2 00.00000E+0 00.00000E+0 CdSiO3(cr) -CdSiO3 = 1.000Cd+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O - log_k 7.790 - delta_h -62.194 #kJ/mol - # Enthalpy of formation: -1189.09 #kJ/mol #77BAR/KNA - -analytic -3.10591E+0 0E+0 3.24861E+3 0E+0 0E+0 +CdSiO3 = +1.000Cd+2 -2.000H+ +1.000H4(SiO4) -1.000H2O + log_k +7.79 + delta_h -62.194 #kJ/mol +# Enthalpy of formation: -1189.090 kJ/mol 77BAR/KNA + -analytic -31.05921E-1 00.00000E+0 32.48619E+2 00.00000E+0 00.00000E+0 Celadonite-Fe -KFeAlSi4O10(OH)2 = 1.000K+ + 1.000Fe+2 + 1.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 10.220 - delta_h -103.866 #kJ/mol - # Enthalpy of formation: -5478.13 #kJ/mol #02 - -analytic -7.97652E+0 0E+0 5.42529E+3 0E+0 0E+0 +KFeAlSi4O10(OH)2 = +1.000K+ +1.000Fe+2 +1.000Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O + log_k +6.45 + delta_h -104.161 #kJ/mol +# Enthalpy of formation: -5478.130 kJ/mol 02PAR/VID + -analytic -11.79822E+0 00.00000E+0 54.40708E+2 00.00000E+0 00.00000E+0 + -Vm 143.010 Celadonite-Mg -KMgAlSi4O10(OH)2 = 1.000Mg+2 + 1.000K+ + 1.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 10.220 - delta_h -124.256 #kJ/mol - # Enthalpy of formation: -5834.74 #kJ/mol #02PAR/VID - -analytic -1.15487E+1 0E+0 6.49033E+3 0E+0 0E+0 +KMgAlSi4O10(OH)2 = +1.000Mg+2 +1.000K+ +1.000Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O + log_k +10.20 + delta_h -124.256 #kJ/mol +# Enthalpy of formation: -5834.740 kJ/mol 02PAR/VID + -analytic -11.56872E+0 00.00000E+0 64.90343E+2 00.00000E+0 00.00000E+0 + -Vm 139.620 Celestite -Sr(SO4) = 1.000Sr+2 + 1.000SO4-2 - log_k -6.620 #06BLA/IGN - delta_h -2.451 #kJ/mol - # Enthalpy of formation: -1457.788 #kJ/mol - -analytic -7.0494E+0 0E+0 1.28024E+2 0E+0 0E+0 +Sr(SO4) = +1.000Sr+2 +1.000SO4-2 + log_k -6.62 #06BLA/IGN + delta_h -2.451 #kJ/mol +# Enthalpy of formation: -1457.789 kJ/mol + -analytic -70.49397E-1 00.00000E+0 12.80246E+1 00.00000E+0 00.00000E+0 + -Vm 46.250 Cerussite -Pb(CO3) = 1.000Pb+2 + 1.000CO3-2 - log_k -13.290 - delta_h 27.414 #kJ/mol - # Enthalpy of formation: -701.723 #kJ/mol - -analytic -8.48728E+0 0E+0 -1.43193E+3 0E+0 0E+0 +Pb(CO3) = +1.000Pb+2 +1.000CO3-2 + log_k -13.29 + delta_h +27.425 #kJ/mol +# Enthalpy of formation: -701.735 kJ/mol + -analytic -84.85346E-1 00.00000E+0 -14.32508E+2 00.00000E+0 00.00000E+0 Chabazite -CaAl2Si4O12:6H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4) + 2.000H2O - log_k 11.540 - delta_h -209.796 #kJ/mol - # Enthalpy of formation: -7826.44 #kJ/mol #09BLA - -analytic -2.52146E+1 0E+0 1.09584E+4 0E+0 0E+0 +CaAl2Si4O12:6H2O = +1.000Ca+2 +2.000Al+3 -8.000H+ +4.000H4(SiO4) +2.000H2O + log_k +11.52 + delta_h -209.796 #kJ/mol +# Enthalpy of formation: -7826.440 kJ/mol 09BLA + -analytic -25.23468E+0 00.00000E+0 10.95841E+3 00.00000E+0 00.00000E+0 + -Vm 251.160 + +Chalcanthite +CuSO4:5H2O = +1.000Cu+2 +1.000SO4-2 +5.000H2O + log_k -2.69 + delta_h +6.108 #kJ/mol +# Enthalpy of formation: -2279.696 kJ/mol + -analytic -16.19924E-1 00.00000E+0 -31.90431E+1 00.00000E+0 00.00000E+0 + +Chalcocite +Cu2S = +2.000Cu+ -1.000H+ +1.000HS- + log_k -34.02 #94THO/HEL + delta_h +204.317 #kJ/mol +# Enthalpy of formation: -79.440 kJ/mol + -analytic 17.74802E-1 00.00000E+0 -10.67222E+3 00.00000E+0 00.00000E+0 + +Chalcocyanite +CuSO4 = +1.000Cu+2 +1.000SO4-2 + log_k +2.94 + delta_h -73.025 #kJ/mol +# Enthalpy of formation: -771.415 kJ/mol + -analytic -98.53431E-1 00.00000E+0 38.14361E+2 00.00000E+0 00.00000E+0 Chamosite -Fe5Al2Si3O10(OH)8 = 5.000Fe+2 + 2.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O - log_k 47.600 - delta_h -504.512 #kJ/mol - # Enthalpy of formation: -7120.85 #kJ/mol #05VID/PAR - -analytic -4.07866E+1 0E+0 2.63525E+4 0E+0 0E+0 +Fe5Al2Si3O10(OH)8 = +5.000Fe+2 +2.000Al+3 -16.000H+ +3.000H4(SiO4) +6.000H2O + log_k +47.68 + delta_h -505.987 #kJ/mol +# Enthalpy of formation: -7120.850 kJ/mol 05VID/PAR + -analytic -40.96512E+0 00.00000E+0 26.42954E+3 00.00000E+0 00.00000E+0 + -Vm 215.880 Chloroapatite -Ca5Cl(PO4)3 = 5.000Ca+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)- - log_k 5.210 #68VAL/KOG - delta_h -132.541 #kJ/mol - # Enthalpy of formation: -6657.339 #kJ/mol - -analytic -1.80102E+1 0E+0 6.92309E+3 0E+0 0E+0 +Ca5Cl(PO4)3 = +5.000Ca+2 -6.000H+ +1.000Cl- +3.000H2(PO4)- + log_k +5.21 #68VAL/KOG + delta_h -132.541 #kJ/mol +# Enthalpy of formation: -6657.337 kJ/mol + -analytic -18.01019E+0 00.00000E+0 69.23099E+2 00.00000E+0 00.00000E+0 Chromite -FeCr2O4 = 1.000Fe+2 - 8.000H+ + 2.000Cr+3 + 4.000H2O - log_k 15.120 - delta_h -268.820 #kJ/mol - # Enthalpy of formation: -1445.5 #kJ/mol #95ROB/HEM - -analytic -3.19752E+1 0E+0 1.40414E+4 0E+0 0E+0 +FeCr2O4 = +1.000Fe+2 -8.000H+ +2.000Cr+3 +4.000H2O + log_k +15.14 + delta_h -269.115 #kJ/mol +# Enthalpy of formation: -1445.500 kJ/mol 95ROB/HEM + -analytic -32.00692E+0 00.00000E+0 14.05686E+3 00.00000E+0 00.00000E+0 + +Chukanovite +Fe2(OH)2CO3 = +2.000Fe+2 -2.000H+ +1.000CO3-2 +2.000H2O + log_k +2.97 + -analytic 29.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Cinnabar +HgS = -1.000H+ +1.000HS- +1.000Hg+2 + log_k -39.18 + delta_h +208.210 #kJ/mol +# Enthalpy of formation: -54.300 kJ/mol 95ROB/HEM + -analytic -27.03174E-1 00.00000E+0 -10.87557E+3 00.00000E+0 00.00000E+0 Clarkeite -Na(UO2)O(OH) = 1.000Na+ + 1.000UO2+2 - 3.000H+ + 2.000H2O - log_k 9.400 #08GOR/FEI - delta_h -106.300 #kJ/mol - # Enthalpy of formation: -1724.7 #kJ/mol #06KUB/HEL - -analytic -9.22293E+0 0E+0 5.55243E+3 0E+0 0E+0 +Na(UO2)O(OH) = +1.000Na+ +1.000UO2+2 -3.000H+ +2.000H2O + log_k +9.40 #08GOR/FEI + delta_h -106.300 #kJ/mol +# Enthalpy of formation: -1724.700 kJ/mol 06KUB/HEL + -analytic -92.22961E-1 00.00000E+0 55.52436E+2 00.00000E+0 00.00000E+0 Claudetite -As2O3 = - 3.000H2O + 2.000H3(AsO3) - log_k -1.460 - delta_h 28.240 #kJ/mol - # Enthalpy of formation: -655.15 #kJ/mol - -analytic 3.48743E+0 0E+0 -1.47508E+3 0E+0 0E+0 +As2O3 = -3.000H2O +2.000H3(AsO3) + log_k -1.46 + delta_h +28.238 #kJ/mol +# Enthalpy of formation: -655.150 kJ/mol + -analytic 34.87085E-1 00.00000E+0 -14.74973E+2 00.00000E+0 00.00000E+0 Clausthalite -PbSe = 1.000Pb+2 - 1.000H+ + 1.000HSe- - log_k -20.530 - delta_h 113.720 #kJ/mol - # Enthalpy of formation: -98.5 #kJ/mol #05OLI/NOL - -analytic -6.0714E-1 0E+0 -5.94E+3 0E+0 0E+0 +PbSe = +1.000Pb+2 -1.000H+ +1.000HSe- + log_k -20.53 + delta_h +113.720 #kJ/mol +# Enthalpy of formation: -98.500 kJ/mol 05OLI/NOL + -analytic -60.71112E-2 00.00000E+0 -59.40009E+2 00.00000E+0 00.00000E+0 Clinochlore -Mg5Al2Si3O10(OH)8 = 5.000Mg+2 + 2.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O - log_k 61.720 - delta_h -600.772 #kJ/mol - # Enthalpy of formation: -8909.59 #kJ/mol #05VID/PAR - -analytic -4.35306E+1 0E+0 3.13805E+4 0E+0 0E+0 +Mg5Al2Si3O10(OH)8 = +5.000Mg+2 +2.000Al+3 -16.000H+ +3.000H4(SiO4) +6.000H2O + log_k +61.68 + delta_h -600.772 #kJ/mol +# Enthalpy of formation: -8909.590 kJ/mol 05VID/PAR + -analytic -43.57074E+0 00.00000E+0 31.38051E+3 00.00000E+0 00.00000E+0 + -Vm 211.470 Clinoptilolite_Ca -Ca0.55(Si4.9Al1.1)O12:3.9H2O = 0.550Ca+2 + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 3.700H2O - log_k -2.350 #09BLA - delta_h -68.512 #kJ/mol - # Enthalpy of formation: -6924.658 #kJ/mol - -analytic -1.43528E+1 0E+0 3.57863E+3 0E+0 0E+0 +Ca0.55(Si4.9Al1.1)O12:3.9H2O = +0.550Ca+2 +1.100Al+3 -4.400H+ +4.900H4(SiO4) -3.700H2O + log_k -2.35 #09BLA + delta_h -68.491 #kJ/mol +# Enthalpy of formation: -6924.681 kJ/mol + -analytic -14.34911E+0 00.00000E+0 35.77534E+2 00.00000E+0 00.00000E+0 + -Vm 209.660 Clinoptilolite_K -K1.1(Si4.9Al1.1)O12:2.7H2O = 1.100K+ + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 4.900H2O - log_k -1.230 #09BLA - delta_h -60.128 #kJ/mol - # Enthalpy of formation: -6568.749 #kJ/mol - -analytic -1.1764E+1 0E+0 3.1407E+3 0E+0 0E+0 +K1.1(Si4.9Al1.1)O12:2.7H2O = +1.100K+ +1.100Al+3 -4.400H+ +4.900H4(SiO4) -4.900H2O + log_k -1.23 #09BLA + delta_h -60.121 #kJ/mol +# Enthalpy of formation: -6568.760 kJ/mol + -analytic -11.76275E+0 00.00000E+0 31.40339E+2 00.00000E+0 00.00000E+0 + -Vm 210.730 Clinoptilolite_Na -Na1.1(Si4.9Al1.1)O12:3.5H2O = 1.100Na+ + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 4.100H2O - log_k -0.090 #09BLA - delta_h -62.470 #kJ/mol - # Enthalpy of formation: -6782.091 #kJ/mol - -analytic -1.10343E+1 0E+0 3.26303E+3 0E+0 0E+0 - -Cm(CO3)(OH)(cr) -Cm(CO3)(OH) = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.000H2O - log_k -10.340 #estimated by correlation with Ln(III) and An(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.034E+1 0E+0 0E+0 0E+0 0E+0 - -Cm(CO3)(OH):0.5H2O(s) -Cm(CO3)(OH):0.5H2O = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.500H2O - log_k -7.780 #estimated by correlation with Ln(III) and An(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.78E+0 0E+0 0E+0 0E+0 0E+0 +Na1.1(Si4.9Al1.1)O12:3.5H2O = +1.100Na+ +1.100Al+3 -4.400H+ +4.900H4(SiO4) -4.100H2O + log_k -0.09 #09BLA + delta_h -62.460 #kJ/mol +# Enthalpy of formation: -6782.105 kJ/mol + -analytic -11.03252E+0 00.00000E+0 32.62513E+2 00.00000E+0 00.00000E+0 + -Vm 214.780 + +Cm(cr) +Cm = +3.000e- +1.000Cm+3 + log_k +104.31 + delta_h -615.000 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 01KON2 + -analytic -34.33375E-1 00.00000E+0 32.12369E+3 00.00000E+0 00.00000E+0 Cm(OH)3(am) -Cm(OH)3 = - 3.000H+ + 1.000Cm+3 + 3.000H2O - log_k 17.900 #estimated from ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.79E+1 0E+0 0E+0 0E+0 0E+0 +Cm(OH)3 = -3.000H+ +1.000Cm+3 +3.000H2O + log_k +17.80 #Estimated by correlation with An(III) in function of ionic radii. + -analytic 17.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Cm(OH)3(cr) -Cm(OH)3 = - 3.000H+ + 1.000Cm+3 + 3.000H2O - log_k 15.600 #estimated from ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.56E+1 0E+0 0E+0 0E+0 0E+0 - -Cm(PO4):xH2O(s) -Cm(PO4) = - 2.000H+ + 1.000H2(PO4)- + 1.000Cm+3 - log_k -4.970 #estimated by correlation with Ln(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.97E+0 0E+0 0E+0 0E+0 0E+0 +Cm(OH)3 = -3.000H+ +1.000Cm+3 +3.000H2O + log_k +15.67 #estimated from ionic radii + -analytic 15.67000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 -Cm(cr) -Cm = 1.000Cm+3 + 1.500H2O - 3.000H+ - 0.750O2 - log_k 168.795 #01KON2 - delta_h -1034.645 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol - -analytic -1.24667E+1 0E+0 5.40432E+4 0E+0 0E+0 - -Cm2(CO3)3(am) -Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 - log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 +Cm(PO4):0.5H2O(am) +Cm(PO4):0.5H2O = -2.000H+ +1.000H2(PO4)- +1.000Cm+3 +0.500H2O + log_k -4.97 #estimated by correlation with Ln(III) + -analytic -49.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Cm2(CO3)3(s) +Cm2(CO3)3 = +3.000CO3-2 +2.000Cm+3 + log_k -34.30 #Estimated by correlation with An(III). + -analytic -34.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Cm2O3(cr) -Cm2O3 = - 6.000H+ + 2.000Cm+3 + 3.000H2O - log_k 53.100 - delta_h -403.490 #kJ/mol - # Enthalpy of formation: -1684 #kJ/mol #01KON2 - -analytic -1.75883E+1 0E+0 2.10757E+4 0E+0 0E+0 +Cm2O3 = -6.000H+ +2.000Cm+3 +3.000H2O + log_k +52.97 + delta_h -403.490 #kJ/mol +# Enthalpy of formation: -1684.000 kJ/mol 01KON2 + -analytic -17.71841E+0 00.00000E+0 21.07575E+3 00.00000E+0 00.00000E+0 CmCl3(cr) -CmCl3 = 3.000Cl- + 1.000Cm+3 - log_k 15.070 - delta_h -141.840 #kJ/mol - # Enthalpy of formation: -974.4 #kJ/mol #85BAR/PAR - -analytic -9.77926E+0 0E+0 7.40881E+3 0E+0 0E+0 +CmCl3 = +3.000Cl- +1.000Cm+3 + log_k +15.07 + delta_h -141.840 #kJ/mol +# Enthalpy of formation: -974.400 kJ/mol 85BAR/PAR + -analytic -97.79301E-1 00.00000E+0 74.08819E+2 00.00000E+0 00.00000E+0 + +CmCO3OH(cr) +Cm(CO3)(OH) = -1.000H+ +1.000CO3-2 +1.000Cm+3 +1.000H2O + log_k -10.34 #Estimation. Correlation with An(III). + -analytic -10.34000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +CmCO3OH(s) +CmOHCO3 = -1.000H+ +1.000CO3-2 +1.000Cm+3 +1.000H2O + log_k -6.15 #Estimated using the data for AmCO3OH(s). + -analytic -61.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +CmCO3OH:0.5H2O(s) +Cm(CO3)(OH):0.5H2O = -1.000H+ +1.000CO3-2 +1.000Cm+3 +1.500H2O + log_k -7.72 #Estimated by correlation with An(III) in function of ionic radii. + -analytic -77.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 CmF3(cr) -CmF3 = 3.000F- + 1.000Cm+3 - log_k -13.160 - delta_h -32.036 #kJ/mol - # Enthalpy of formation: -1589.014 #kJ/mol #estimated by 97SVE/SHO equation - -analytic -1.87725E+1 0E+0 1.67335E+3 0E+0 0E+0 +CmF3 = +3.000F- +1.000Cm+3 + log_k -13.16 + delta_h -32.036 #kJ/mol +# Enthalpy of formation: -1589.014 kJ/mol estimated by 97SVE/SHO equation + -analytic -18.77247E+0 00.00000E+0 16.73357E+2 00.00000E+0 00.00000E+0 CmOCl(cr) -CmOCl = - 2.000H+ + 1.000Cl- + 1.000Cm+3 + 1.000H2O - log_k 9.490 - delta_h -104.710 #kJ/mol - # Enthalpy of formation: -963.2 #kJ/mol #85BAR/PAR - -analytic -8.85438E+0 0E+0 5.46938E+3 0E+0 0E+0 - -CmOHCO3(am) -CmOHCO3 = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.000H2O - log_k -6.120 #estimated in anlogy with Ln(III) and Am(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.12E+0 0E+0 0E+0 0E+0 0E+0 +CmOCl = -2.000H+ +1.000Cl- +1.000Cm+3 +1.000H2O + log_k +9.49 + delta_h -104.710 #kJ/mol +# Enthalpy of formation: -963.200 kJ/mol 85BAR/PAR + -analytic -88.54405E-1 00.00000E+0 54.69384E+2 00.00000E+0 00.00000E+0 + +Co(cr) +Co = +1.000Co+2 +2.000e- + log_k +9.74 + delta_h -57.600 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 87FER + -analytic -35.10868E-2 00.00000E+0 30.08658E+2 00.00000E+0 00.00000E+0 Co(FeO2)2(alpha) -Co(FeO2)2 = 2.000Fe+3 + 1.000Co+2 - 8.000H+ + 4.000H2O - log_k 0.770 - delta_h -159.200 #kJ/mol - # Enthalpy of formation: -1139.72 #kJ/mol #74NAU/RYZ - -analytic -2.71206E+1 0E+0 8.31558E+3 0E+0 0E+0 +Co(FeO2)2 = +2.000Fe+3 +1.000Co+2 -8.000H+ +4.000H2O + log_k +0.73 + delta_h -161.312 #kJ/mol +# Enthalpy of formation: -1139.720 kJ/mol 74NAU/RYZ + -analytic -27.53065E+0 00.00000E+0 84.25913E+2 00.00000E+0 00.00000E+0 Co(OH)2(s,blue) -Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O - log_k 13.800 #98PLY/ZHA1 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0 +Co(OH)2 = +1.000Co+2 -2.000H+ +2.000H2O + log_k +13.80 #98PLY/ZHA1; Uncertainty by analogy with Co(OH)2(s,rose1). + -analytic 13.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Co(OH)2(s,rose1) -Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O - log_k 12.200 #98PLY/ZHA1 - delta_h -88.460 #kJ/mol - # Enthalpy of formation: -540.8 #kJ/mol #98PLY/ZHA1 - -analytic -3.2975E+0 0E+0 4.62058E+3 0E+0 0E+0 +Co(OH)2 = +1.000Co+2 -2.000H+ +2.000H2O + log_k +12.20 #98PLY/ZHA1 + delta_h -88.460 #kJ/mol +# Enthalpy of formation: -540.800 kJ/mol 98PLY/ZHA1 + -analytic -32.97527E-1 00.00000E+0 46.20588E+2 00.00000E+0 00.00000E+0 Co(OH)2(s,rose2) -Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O - log_k 13.200 #98PLY/ZHA1 - delta_h -93.560 #kJ/mol - # Enthalpy of formation: -535.7 #kJ/mol #98PLY/ZHA1 - -analytic -3.19098E+0 0E+0 4.88697E+3 0E+0 0E+0 +Co(OH)2 = +1.000Co+2 -2.000H+ +2.000H2O + log_k +13.20 #98PLY/ZHA1; Uncertainty by analogy with Co(OH)2(s,rose1). + delta_h -93.560 #kJ/mol +# Enthalpy of formation: -535.700 kJ/mol 98PLY/ZHA1 + -analytic -31.91008E-1 00.00000E+0 48.86979E+2 00.00000E+0 00.00000E+0 Co(SeO3):2H2O(s) -Co(SeO3):2H2O = 1.000Co+2 + 1.000SeO3-2 + 2.000H2O - log_k -7.900 #05OLI/NOL - delta_h -20.860 #kJ/mol - # Enthalpy of formation: -1115.56 #kJ/mol #05OLI/NOL - -analytic -1.15545E+1 0E+0 1.08959E+3 0E+0 0E+0 +Co(SeO3):2H2O = +1.000Co+2 +1.000SeO3-2 +2.000H2O + log_k -7.90 #05OLI/NOL + delta_h -20.860 #kJ/mol +# Enthalpy of formation: -1115.560 kJ/mol 05OLI/NOL + -analytic -11.55452E+0 00.00000E+0 10.89594E+2 00.00000E+0 00.00000E+0 Co(SeO4):6H2O(s) -Co(SeO4):6H2O = 1.000Co+2 + 1.000SeO4-2 + 6.000H2O - log_k -1.760 #05OLI/NOL - delta_h -3.299 #kJ/mol - # Enthalpy of formation: -2372.781 #kJ/mol - -analytic -2.33796E+0 0E+0 1.72319E+2 0E+0 0E+0 - -Co(cr) -Co = 1.000Co+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 52.730 - delta_h -337.363 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol - -analytic -6.37337E+0 0E+0 1.76217E+4 0E+0 0E+0 +Co(SeO4):6H2O = +1.000Co+2 +1.000SeO4-2 +6.000H2O + log_k -1.76 #05OLI/NOL + delta_h -3.400 #kJ/mol +# Enthalpy of formation: -2372.678 kJ/mol + -analytic -23.55654E-1 00.00000E+0 17.75944E+1 00.00000E+0 00.00000E+0 Co0.84Se(cr) -Co0.84Se = 0.840Co+2 - 0.680H+ + 1.000HSe- - 0.160H2O + 0.080O2 - log_k -16.178 - delta_h 66.078 #kJ/mol - # Enthalpy of formation: -55.4 #kJ/mol #05OLI/NOL - -analytic -4.60203E+0 0E+0 -3.45149E+3 0E+0 0E+0 +Co0.84Se = +0.840Co+2 -1.000H+ -0.320e- +1.000HSe- + log_k -9.30 + delta_h +21.316 #kJ/mol +# Enthalpy of formation: -55.400 kJ/mol 05OLI/NOL + -analytic -55.65597E-1 00.00000E+0 -11.13412E+2 00.00000E+0 00.00000E+0 Co2SiO4(s) -Co2SiO4 = 2.000Co+2 - 4.000H+ + 1.000H4(SiO4) - log_k 7.350 - delta_h -99.394 #kJ/mol - # Enthalpy of formation: -1477 #kJ/mol #82WAG/EVA - -analytic -1.00631E+1 0E+0 5.1917E+3 0E+0 0E+0 +Co2SiO4 = +2.000Co+2 -4.000H+ +1.000H4(SiO4) + log_k +7.35 + delta_h -99.394 #kJ/mol +# Enthalpy of formation: -1477.000 kJ/mol 82WAG/EVA + -analytic -10.06308E+0 00.00000E+0 51.91710E+2 00.00000E+0 00.00000E+0 Co3(AsO4)2(s) -Co3(AsO4)2 = 3.000Co+2 + 2.000AsO4-3 - log_k -27.560 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.756E+1 0E+0 0E+0 0E+0 0E+0 +Co3(AsO4)2 = +3.000Co+2 +2.000AsO4-3 + log_k -27.56 + -analytic -27.56000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Co3(PO4)2(s) -Co3(PO4)2 = 3.000Co+2 - 4.000H+ + 2.000H2(PO4)- - log_k 4.360 #84VIE/TAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.36E+0 0E+0 0E+0 0E+0 0E+0 +Co3(PO4)2 = +3.000Co+2 -4.000H+ +2.000H2(PO4)- + log_k +4.36 #84VIE/TAR + -analytic 43.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Co3O4(s) -Co3O4 = 3.000Co+2 - 6.000H+ + 3.000H2O + 0.500O2 - log_k 11.870 - delta_h -117.537 #kJ/mol - # Enthalpy of formation: -918.8 #kJ/mol #95ROB/HEM - -analytic -8.72157E+0 0E+0 6.13938E+3 0E+0 0E+0 +Co3O4 = +3.000Co+2 -8.000H+ -2.000e- +4.000H2O + log_k +54.86 + delta_h -397.320 #kJ/mol +# Enthalpy of formation: -918.800 kJ/mol 95ROB/HEM + -analytic -14.74748E+0 00.00000E+0 20.75347E+3 00.00000E+0 00.00000E+0 CoCl2(s) -CoCl2 = 1.000Co+2 + 2.000Cl- - log_k 8.470 - delta_h -79.220 #kJ/mol - # Enthalpy of formation: -312.54 #kJ/mol #98CHA - -analytic -5.40873E+0 0E+0 4.13794E+3 0E+0 0E+0 +CoCl2 = +1.000Co+2 +2.000Cl- + log_k +8.47 + delta_h -79.220 #kJ/mol +# Enthalpy of formation: -312.540 kJ/mol 98CHA + -analytic -54.08748E-1 00.00000E+0 41.37949E+2 00.00000E+0 00.00000E+0 CoCl2:6H2O(s) -CoCl2:6H2O = 1.000Co+2 + 2.000Cl- + 6.000H2O - log_k 2.540 #97MAR/SMI - delta_h 8.060 #kJ/mol #97MAR/SMI - # Enthalpy of formation: -2114.8 #kJ/mol - -analytic 3.95205E+0 0E+0 -4.21003E+2 0E+0 0E+0 +CoCl2:6H2O = +1.000Co+2 +2.000Cl- +6.000H2O + log_k +2.54 #97MAR/SMI + delta_h +8.060 #kJ/mol 97MAR/SMI +# Enthalpy of formation: -2114.800 kJ/mol + -analytic 39.52051E-1 00.00000E+0 -42.10031E+1 00.00000E+0 00.00000E+0 CoF2(s) -CoF2 = 1.000Co+2 + 2.000F- - log_k -1.390 - delta_h -56.770 #kJ/mol - # Enthalpy of formation: -671.53 #kJ/mol #98CHA - -analytic -1.13357E+1 0E+0 2.9653E+3 0E+0 0E+0 +CoF2 = +1.000Co+2 +2.000F- + log_k -1.39 + delta_h -56.770 #kJ/mol +# Enthalpy of formation: -671.530 kJ/mol 98CHA + -analytic -11.33568E+0 00.00000E+0 29.65304E+2 00.00000E+0 00.00000E+0 + +Coffinite +U(SiO4) = +1.000U+4 -4.000H+ +1.000H4(SiO4) + log_k -4.47 + delta_h -78.577 #kJ/mol +# Enthalpy of formation: -1973.817 kJ/mol + -analytic -18.23610E+0 00.00000E+0 41.04363E+2 00.00000E+0 00.00000E+0 CoHPO4(s) -CoHPO4 = 1.000Co+2 - 1.000H+ + 1.000H2(PO4)- - log_k 0.490 #84VIE/TAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.9E-1 0E+0 0E+0 0E+0 0E+0 +CoHPO4 = +1.000Co+2 -1.000H+ +1.000H2(PO4)- + log_k +0.49 #84VIE/TAR + -analytic 49.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Compreignacite +K2(UO2)6O4(OH)6:7H2O = +2.000K+ +6.000UO2+2 -14.000H+ +17.000H2O + log_k +35.80 #08GOR/FEI + -analytic 35.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 CoO(s) -CoO = 1.000Co+2 - 2.000H+ + 1.000H2O - log_k 13.770 - delta_h -105.530 #kJ/mol - # Enthalpy of formation: -237.9 #kJ/mol #95ROB/HEM - -analytic -4.71804E+0 0E+0 5.51221E+3 0E+0 0E+0 +CoO = +1.000Co+2 -2.000H+ +1.000H2O + log_k +13.77 + delta_h -105.530 #kJ/mol +# Enthalpy of formation: -237.900 kJ/mol 95ROB/HEM + -analytic -47.18062E-1 00.00000E+0 55.12216E+2 00.00000E+0 00.00000E+0 + +Corundum +Al2O3 = +2.000Al+3 -6.000H+ +3.000H2O + log_k +18.30 + delta_h -258.590 #kJ/mol +# Enthalpy of formation: -1675.700 kJ/mol 89COX/WAG + -analytic -27.00302E+0 00.00000E+0 13.50710E+3 00.00000E+0 00.00000E+0 CoS(alpha) -CoS = 1.000Co+2 - 1.000H+ + 1.000HS- - log_k -7.440 #90DYR/KRE - delta_h 11.836 #kJ/mol - # Enthalpy of formation: -85.736 #kJ/mol - -analytic -5.36642E+0 0E+0 -6.18236E+2 0E+0 0E+0 +CoS = +1.000Co+2 -1.000H+ +1.000HS- + log_k -7.44 #90DYR/KRE + delta_h +11.836 #kJ/mol +# Enthalpy of formation: -85.735 kJ/mol + -analytic -53.66422E-1 00.00000E+0 -61.82373E+1 00.00000E+0 00.00000E+0 CoS(beta) -CoS = 1.000Co+2 - 1.000H+ + 1.000HS- - log_k -11.070 #90DYR/KRE - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.107E+1 0E+0 0E+0 0E+0 0E+0 +CoS = +1.000Co+2 -1.000H+ +1.000HS- + log_k -11.07 #90DYR/KRE + -analytic -11.07000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +CoSe2(cr) +CoSe2 = +1.000Co+2 -2.000H+ -2.000e- +2.000HSe- + log_k -23.09 + delta_h +76.500 #kJ/mol +# Enthalpy of formation: -105.500 kJ/mol 05OLI/NOL + -analytic -96.87775E-1 00.00000E+0 -39.95873E+2 00.00000E+0 00.00000E+0 CoSO4(s) -CoSO4 = 1.000Co+2 + 1.000SO4-2 - log_k 3.010 - delta_h -78.680 #kJ/mol - # Enthalpy of formation: -888.26 #kJ/mol #98CHA - -analytic -1.07741E+1 0E+0 4.10974E+3 0E+0 0E+0 +CoSO4 = +1.000Co+2 +1.000SO4-2 + log_k +3.01 + delta_h -78.680 #kJ/mol +# Enthalpy of formation: -888.260 kJ/mol 98CHA + -analytic -10.77414E+0 00.00000E+0 41.09743E+2 00.00000E+0 00.00000E+0 CoSO4:6H2O(s) -CoSO4:6H2O = 1.000Co+2 + 1.000SO4-2 + 6.000H2O - log_k -2.200 - delta_h 1.570 #kJ/mol - # Enthalpy of formation: -2683.49 #kJ/mol #74NAU/RYZ - -analytic -1.92495E+0 0E+0 -8.20067E+1 0E+0 0E+0 +CoSO4:6H2O = +1.000Co+2 +1.000SO4-2 +6.000H2O + log_k -2.20 + delta_h +1.570 #kJ/mol +# Enthalpy of formation: -2683.490 kJ/mol 74NAU/RYZ + -analytic -19.24948E-1 00.00000E+0 -82.00681E+0 00.00000E+0 00.00000E+0 CoSO4:H2O(s) -CoSO4:H2O = 1.000Co+2 + 1.000SO4-2 + 1.000H2O - log_k -1.050 - delta_h -52.050 #kJ/mol - # Enthalpy of formation: -1200.72 #kJ/mol #74NAU/RYZ - -analytic -1.01688E+1 0E+0 2.71876E+3 0E+0 0E+0 - -CoSe2(cr) -CoSe2 = 1.000Co+2 + 2.000HSe- - 1.000H2O + 0.500O2 - log_k -66.080 - delta_h 356.263 #kJ/mol - # Enthalpy of formation: -105.5 #kJ/mol #05OLI/NOL - -analytic -3.66549E+0 0E+0 -1.86089E+4 0E+0 0E+0 - -Coffinite -U(SiO4) = 1.000U+4 - 4.000H+ + 1.000H4(SiO4) - log_k -7.800 - delta_h -61.070 #kJ/mol - # Enthalpy of formation: -1991.326 #kJ/mol - -analytic -1.8499E+1 0E+0 3.1899E+3 0E+0 0E+0 - -Coffinite(am) -U(SiO4) = 1.000U+4 - 4.000H+ + 1.000H4(SiO4) - log_k -1.500 #Estimation based on NEA Guidelines - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0 - -Compreignacite -K2(UO2)6O4(OH)6:7H2O = 2.000K+ + 6.000UO2+2 - 14.000H+ + 17.000H2O - log_k 35.800 #08GOR/FEI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.58E+1 0E+0 0E+0 0E+0 0E+0 - -Corundum -Al2O3 = 2.000Al+3 - 6.000H+ + 3.000H2O - log_k 18.300 - delta_h -258.590 #kJ/mol - # Enthalpy of formation: -1675.7 #kJ/mol #89COX/WAG - -analytic -2.7003E+1 0E+0 1.35071E+4 0E+0 0E+0 +CoSO4:H2O = +1.000Co+2 +1.000SO4-2 +1.000H2O + log_k -1.05 + delta_h -52.050 #kJ/mol +# Enthalpy of formation: -1200.720 kJ/mol 74NAU/RYZ + -analytic -10.16877E+0 00.00000E+0 27.18761E+2 00.00000E+0 00.00000E+0 Cotunnite -PbCl2 = 1.000Pb+2 + 2.000Cl- - log_k -4.810 - delta_h 26.160 #kJ/mol - # Enthalpy of formation: -359.4 #kJ/mol #98CHA - -analytic -2.26971E-1 0E+0 -1.36643E+3 0E+0 0E+0 - -Cr(OH)2(H2PO4)(s) -Cr(OH)2(H2PO4) = 1.000H2(PO4)- + 1.000Cr+3 + 2.000H2O - 2.000H+ - log_k 0.890 #04RAI/MOO - delta_h -5.080 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.3509E-5 0E+0 2.65346E+2 0E+0 0E+0 +PbCl2 = +1.000Pb+2 +2.000Cl- + log_k -4.81 + delta_h +26.160 #kJ/mol +# Enthalpy of formation: -359.400 kJ/mol 98CHA + -analytic -22.69647E-2 00.00000E+0 -13.66432E+2 00.00000E+0 00.00000E+0 + +Covellite +CuS = +1.000Cu+2 -1.000H+ +1.000HS- + log_k -22.06 #94THO/HEL + delta_h +97.475 #kJ/mol +# Enthalpy of formation: -48.875 kJ/mol + -analytic -49.83113E-1 00.00000E+0 -50.91474E+2 00.00000E+0 00.00000E+0 + +Cr(cr) +Cr = +8.000H+ +6.000e- +1.000CrO4-2 -4.000H2O + log_k -39.31 + delta_h +264.320 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 98CHA, 04CHI + -analytic 69.96876E-1 00.00000E+0 -13.80640E+3 00.00000E+0 00.00000E+0 Cr(OH)2(cr) -Cr(OH)2 = - 2.000H+ + 1.000Cr+2 + 2.000H2O - log_k 11.000 #41HUM/STO, 04CHI - delta_h -75.459 #kJ/mol - # Enthalpy of formation: -653.82 #kJ/mol - -analytic -2.21983E+0 0E+0 3.94149E+3 0E+0 0E+0 +Cr(OH)2 = -2.000H+ +1.000Cr+2 +2.000H2O + log_k +11.00 #41HUM/STO, 04CHI + delta_h -75.459 #kJ/mol +# Enthalpy of formation: -653.814 kJ/mol + -analytic -22.19849E-1 00.00000E+0 39.41498E+2 00.00000E+0 00.00000E+0 + +Cr(OH)2(H2PO4)(s) +Cr(OH)2(H2PO4) = -2.000H+ +1.000H2(PO4)- +1.000Cr+3 +2.000H2O + log_k +0.89 #04RAI/MOO + -analytic 89.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Cr(OH)3(cr) -Cr(OH)3 = - 3.000H+ + 1.000Cr+3 + 3.000H2O - log_k 7.500 #04RAI/MOO - delta_h -104.751 #kJ/mol - # Enthalpy of formation: -993.238 #kJ/mol - -analytic -1.08516E+1 0E+0 5.47152E+3 0E+0 0E+0 - -Cr(s) -Cr = 2.000H+ + 1.000CrO4-2 - 1.000H2O - 1.500O2 - log_k 89.660 - delta_h -574.989 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol - -analytic -1.10736E+1 0E+0 3.00337E+4 0E+0 0E+0 +Cr(OH)3 = -3.000H+ +1.000Cr+3 +3.000H2O + log_k +7.50 #04RAI/MOO + delta_h -104.751 #kJ/mol +# Enthalpy of formation: -993.239 kJ/mol + -analytic -10.85159E+0 00.00000E+0 54.71526E+2 00.00000E+0 00.00000E+0 Cr2(SO4)3(s) -Cr2(SO4)3 = 3.000SO4-2 + 2.000Cr+3 - log_k 4.380 - delta_h -277.720 #kJ/mol - # Enthalpy of formation: -2931.3 #kJ/mol #91KNA/KUB - -analytic -4.42744E+1 0E+0 1.45063E+4 0E+0 0E+0 +Cr2(SO4)3 = +3.000SO4-2 +2.000Cr+3 + log_k +4.38 + delta_h -277.720 #kJ/mol +# Enthalpy of formation: -2931.300 kJ/mol 91KNA/KUB + -analytic -44.27446E+0 00.00000E+0 14.50633E+3 00.00000E+0 00.00000E+0 Cr2O3(cr) -Cr2O3 = - 6.000H+ + 2.000Cr+3 + 3.000H2O - log_k 7.750 - delta_h -198.000 #kJ/mol - # Enthalpy of formation: -1140.5 #kJ/mol #04CHI - -analytic -2.69381E+1 0E+0 1.03422E+4 0E+0 0E+0 +Cr2O3 = -6.000H+ +2.000Cr+3 +3.000H2O + log_k +7.75 + delta_h -197.990 #kJ/mol +# Enthalpy of formation: -1140.500 kJ/mol 04CHI + -analytic -26.93636E+0 00.00000E+0 10.34174E+3 00.00000E+0 00.00000E+0 Cr2S3(s) -Cr2S3 = - 3.000H+ + 3.000HS- + 2.000Cr+3 - log_k 3.260 - delta_h -195.200 #kJ/mol - # Enthalpy of formation: -334.7 #kJ/mol #84PAN - -analytic -3.09375E+1 0E+0 1.0196E+4 0E+0 0E+0 +Cr2S3 = -3.000H+ +3.000HS- +2.000Cr+3 + log_k +3.26 + delta_h -195.200 #kJ/mol +# Enthalpy of formation: -334.700 kJ/mol 84PAN + -analytic -30.93757E+0 00.00000E+0 10.19601E+3 00.00000E+0 00.00000E+0 CrCl2(cr) -CrCl2 = 2.000Cl- + 1.000Cr+2 - log_k 12.730 - delta_h -103.500 #kJ/mol - # Enthalpy of formation: -388.3 #kJ/mol #98BAL/NOR - -analytic -5.4024E+0 0E+0 5.40617E+3 0E+0 0E+0 +CrCl2 = +2.000Cl- +1.000Cr+2 + log_k +12.73 + delta_h -103.474 #kJ/mol +# Enthalpy of formation: -388.300 kJ/mol 98BAL/NOR + -analytic -53.97867E-1 00.00000E+0 54.04823E+2 00.00000E+0 00.00000E+0 CrCl3(cr) -CrCl3 = 3.000Cl- + 1.000Cr+3 - log_k 20.190 - delta_h -197.300 #kJ/mol - # Enthalpy of formation: -544.4 #kJ/mol #98BAL/NOR - -analytic -1.43754E+1 0E+0 1.03057E+4 0E+0 0E+0 +CrCl3 = +3.000Cl- +1.000Cr+3 + log_k +20.19 + delta_h -197.340 #kJ/mol +# Enthalpy of formation: -544.400 kJ/mol 98BAL/NOR + -analytic -14.38248E+0 00.00000E+0 10.30779E+3 00.00000E+0 00.00000E+0 + +Cristobalite +SiO2 = +1.000H4(SiO4) -2.000H2O + log_k -3.16 + delta_h +16.500 #kJ/mol +# Enthalpy of formation: -906.034 kJ/mol 04FAB/SAX + -analytic -26.93241E-2 00.00000E+0 -86.18550E+1 00.00000E+0 00.00000E+0 CrO2(cr) -CrO2 = 2.000H+ + 1.000CrO4-2 - 1.000H2O - 0.500O2 - log_k -8.690 - delta_h 10.797 #kJ/mol - # Enthalpy of formation: -597.9 #kJ/mol #93BAR, 04CHI - -analytic -6.79845E+0 0E+0 -5.63966E+2 0E+0 0E+0 +CrO2 = +4.000H+ +2.000e- +1.000CrO4-2 -2.000H2O + log_k -51.68 + delta_h +290.560 #kJ/mol +# Enthalpy of formation: -597.900 kJ/mol 93BAR, 04CHI + -analytic -77.60731E-2 00.00000E+0 -15.17701E+3 00.00000E+0 00.00000E+0 CrO3(cr) -CrO3 = 2.000H+ + 1.000CrO4-2 - 1.000H2O - log_k -3.020 - delta_h -10.070 #kJ/mol - # Enthalpy of formation: -583.1 #kJ/mol #98BAL/NOR, 04CHI - -analytic -4.78419E+0 0E+0 5.25992E+2 0E+0 0E+0 +CrO3 = +2.000H+ +1.000CrO4-2 -1.000H2O + log_k -3.02 + delta_h -10.070 #kJ/mol +# Enthalpy of formation: -583.100 kJ/mol 98BAL/NOR, 04CHI + -analytic -47.84188E-1 00.00000E+0 52.59927E+1 00.00000E+0 00.00000E+0 + +Crocoite +PbCrO4 = +1.000Pb+2 +1.000CrO4-2 + log_k -12.55 #42KOL/PER + delta_h +48.940 #kJ/mol +# Enthalpy of formation: -927.020 kJ/mol 75DEL/MCC + -analytic -39.76080E-1 00.00000E+0 -25.56314E+2 00.00000E+0 00.00000E+0 + +Cronstedtite-Th +Fe4SiO5(OH)4 = +2.000Fe+3 +2.000Fe+2 -10.000H+ +1.000H4(SiO4) +5.000H2O + log_k +16.11 + delta_h -256.496 #kJ/mol +# Enthalpy of formation: -2914.550 kJ/mol 15BLA/VIE + -analytic -28.82617E+0 00.00000E+0 13.39772E+3 00.00000E+0 00.00000E+0 + -Vm 76.800 CrPO4(green) -CrPO4 = - 2.000H+ + 1.000H2(PO4)- + 1.000Cr+3 - log_k -3.060 #51ZHA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.06E+0 0E+0 0E+0 0E+0 0E+0 +CrPO4 = -2.000H+ +1.000H2(PO4)- +1.000Cr+3 + log_k -3.06 #51ZHA + -analytic -30.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 CrPO4(purple) -CrPO4 = - 2.000H+ + 1.000H2(PO4)- + 1.000Cr+3 - log_k 2.560 #51ZHA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.56E+0 0E+0 0E+0 0E+0 0E+0 +CrPO4 = -2.000H+ +1.000H2(PO4)- +1.000Cr+3 + log_k +2.56 #51ZHA + -analytic 25.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 CrS(s) -CrS = - 1.000H+ + 1.000HS- + 1.000Cr+2 - log_k 1.660 - delta_h -38.800 #kJ/mol - # Enthalpy of formation: -135.143 #kJ/mol #84PAN - -analytic -5.13746E+0 0E+0 2.02666E+3 0E+0 0E+0 - -Cristobalite -SiO2 = 1.000H4(SiO4) - 2.000H2O - log_k -3.160 - delta_h 16.500 #kJ/mol - # Enthalpy of formation: -906.034 #kJ/mol #04FAB/SAX - -analytic -2.69328E-1 0E+0 -8.61854E+2 0E+0 0E+0 - -Crocoite -PbCrO4 = 1.000Pb+2 + 1.000CrO4-2 - log_k -12.550 #42KOL/PER - delta_h 48.940 #kJ/mol - # Enthalpy of formation: -927.02 #kJ/mol #75DEL/MCC - -analytic -3.97609E+0 0E+0 -2.55631E+3 0E+0 0E+0 - -Cronstedtite-Th -Fe4SiO5(OH)4 = 2.000Fe+3 + 2.000Fe+2 - 10.000H+ + 1.000H4(SiO4) + 5.000H2O - log_k 16.110 - delta_h -253.794 #kJ/mol - # Enthalpy of formation: -2914.55 #kJ/mol #15BLA/VIE - -analytic -2.83527E+1 0E+0 1.32566E+4 0E+0 0E+0 - -Cs(s) -Cs = 1.000Cs+ + 0.500H2O - 1.000H+ - 0.250O2 - log_k 72.555 - delta_h -397.882 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG - -analytic 2.84926E+0 0E+0 2.07828E+4 0E+0 0E+0 +CrS = -1.000H+ +1.000HS- +1.000Cr+2 + log_k +1.66 + delta_h -38.771 #kJ/mol +# Enthalpy of formation: -135.143 kJ/mol 84PAN + -analytic -51.32388E-1 00.00000E+0 20.25150E+2 00.00000E+0 00.00000E+0 + +Cs(cr) +Cs = +1.000Cs+ +1.000e- + log_k +51.06 + delta_h -258.000 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG + -analytic 58.60340E-1 00.00000E+0 13.47628E+3 00.00000E+0 00.00000E+0 Cs2(CO3)(s) -Cs2(CO3) = 2.000Cs+ + 1.000CO3-2 - log_k 9.900 - delta_h -55.348 #kJ/mol - # Enthalpy of formation: -1135.882 #kJ/mol - -analytic 2.03461E-1 0E+0 2.89102E+3 0E+0 0E+0 +Cs2(CO3) = +2.000Cs+ +1.000CO3-2 + log_k +9.90 + delta_h -53.609 #kJ/mol +# Enthalpy of formation: -1137.620 kJ/mol + -analytic 50.81064E-2 00.00000E+0 28.00193E+2 00.00000E+0 00.00000E+0 Cs2(SO4)(s) -Cs2(SO4) = 2.000Cs+ + 1.000SO4-2 - log_k 0.580 - delta_h 17.756 #kJ/mol - # Enthalpy of formation: -1443.096 #kJ/mol - -analytic 3.69071E+0 0E+0 -9.27459E+2 0E+0 0E+0 +Cs2(SO4) = +2.000Cs+ +1.000SO4-2 + log_k +0.58 + delta_h +17.769 #kJ/mol +# Enthalpy of formation: -1443.108 kJ/mol + -analytic 36.92995E-1 00.00000E+0 -92.81395E+1 00.00000E+0 00.00000E+0 Cs2MoO4(s) -Cs2MoO4 = 2.000Cs+ + 1.000MoO4-2 - log_k 2.210 - delta_h 1.581 #kJ/mol - # Enthalpy of formation: -1514.581 #kJ/mol - -analytic 2.48698E+0 0E+0 -8.25813E+1 0E+0 0E+0 +Cs2MoO4 = +2.000Cs+ +1.000MoO4-2 + log_k +2.21 + delta_h +1.731 #kJ/mol +# Enthalpy of formation: -1514.730 kJ/mol + -analytic 25.13258E-1 00.00000E+0 -90.41643E+0 00.00000E+0 00.00000E+0 Cs2O(s) -Cs2O = 2.000Cs+ - 2.000H+ + 1.000H2O - log_k 89.680 - delta_h -456.100 #kJ/mol - # Enthalpy of formation: -345.73 #kJ/mol - -analytic 9.77483E+0 0E+0 2.38237E+4 0E+0 0E+0 +Cs2O = +2.000Cs+ -2.000H+ +1.000H2O + log_k +89.68 + delta_h -456.069 #kJ/mol +# Enthalpy of formation: -345.759 kJ/mol + -analytic 97.80141E-1 00.00000E+0 23.82214E+3 00.00000E+0 00.00000E+0 CsBr(cr) -CsBr = 1.000Cs+ + 1.000Br- - log_k 0.720 - delta_h 26.190 #kJ/mol - # Enthalpy of formation: -405.6 #kJ/mol #01LEM/FUG - -analytic 5.30828E+0 0E+0 -1.368E+3 0E+0 0E+0 +CsBr = +1.000Cs+ +1.000Br- + log_k +0.72 + delta_h +26.190 #kJ/mol +# Enthalpy of formation: -405.600 kJ/mol 01LEM/FUG + -analytic 53.08291E-1 00.00000E+0 -13.67999E+2 00.00000E+0 00.00000E+0 CsCl(cr) -CsCl = 1.000Cs+ + 1.000Cl- - log_k 1.550 - delta_h 17.230 #kJ/mol - # Enthalpy of formation: -442.31 #kJ/mol #01LEM/FUG - -analytic 4.56856E+0 0E+0 -8.99984E+2 0E+0 0E+0 +CsCl = +1.000Cs+ +1.000Cl- + log_k +1.55 + delta_h +17.230 #kJ/mol +# Enthalpy of formation: -442.310 kJ/mol 01LEM/FUG + -analytic 45.68566E-1 00.00000E+0 -89.99856E+1 00.00000E+0 00.00000E+0 -Cu(SeO3):2H2O(s) -Cu(SeO3):2H2O = 1.000Cu+2 + 1.000SeO3-2 + 2.000H2O - log_k -9.500 #Average value from 56CHU2 and 93SLA/POP in 05OLI/NOL - delta_h -15.320 #kJ/mol - # Enthalpy of formation: -998.6 #kJ/mol #05OLI/NOL - -analytic -1.21839E+1 0E+0 8.00218E+2 0E+0 0E+0 +CSH0.8 +Ca0.8SiO2.8:1.54H2O = +0.800Ca+2 -1.600H+ +1.000H4(SiO4) +0.340H2O + log_k +11.05 #10BLA/BOU1 + delta_h -47.646 #kJ/mol +# Enthalpy of formation: -1945.130 kJ/mol 10BLA/BOU1 + -analytic 27.02779E-1 00.00000E+0 24.88724E+2 00.00000E+0 00.00000E+0 + -Vm 59.290 -Cu(SeO4):5H2O(s) -Cu(SeO4):5H2O = 1.000Cu+2 + 1.000SeO4-2 + 5.000H2O - log_k -2.440 #05OLI/NOL - delta_h 5.580 #kJ/mol - # Enthalpy of formation: -1973.33 #kJ/mol #05OLI/NOL - -analytic -1.46243E+0 0E+0 -2.91463E+2 0E+0 0E+0 +CSH1.2 +Ca1.2SiO3.2:2.06H2O = +1.200Ca+2 -2.400H+ +1.000H4(SiO4) +1.260H2O + log_k +19.30 #10BLA/BOU1 + delta_h -88.600 #kJ/mol +# Enthalpy of formation: -2384.340 kJ/mol 10BLA/BOU1 + -analytic 37.77946E-1 00.00000E+0 46.27900E+2 00.00000E+0 00.00000E+0 + -Vm 71.950 + +CSH1.6 +Ca1.6SiO3.6:2.58H2O = +1.600Ca+2 -3.200H+ +1.000H4(SiO4) +2.180H2O + log_k +28.00 #10BLA/BOU1 + delta_h -133.313 #kJ/mol +# Enthalpy of formation: -2819.790 kJ/mol 10BLA/BOU1 + -analytic 46.44565E-1 00.00000E+0 69.63423E+2 00.00000E+0 00.00000E+0 + -Vm 84.680 Cu(cr) -Cu = 1.000Cu+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 31.600 - delta_h -214.863 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #01LEM/FUG - -analytic -6.04233E+0 0E+0 1.12231E+4 0E+0 0E+0 +Cu = +1.000Cu+2 +2.000e- + log_k -11.39 + delta_h +64.900 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 01LEM/FUG + -analytic -20.00807E-3 00.00000E+0 -33.89963E+2 00.00000E+0 00.00000E+0 + +Cu(OH)2(s) +Cu(OH)2 = +1.000Cu+2 -2.000H+ +2.000H2O + log_k +8.64 #97BEV/PUI + delta_h -62.764 #kJ/mol +# Enthalpy of formation: -443.996 kJ/mol + -analytic -23.55781E-1 00.00000E+0 32.78392E+2 00.00000E+0 00.00000E+0 + +Cu(SeO3):2H2O(s) +Cu(SeO3):2H2O = +1.000Cu+2 +1.000SeO3-2 +2.000H2O + log_k -9.50 #Average value from 56CHU2 and 93SLA/POP in 05OLI/NOL + delta_h -15.320 #kJ/mol +# Enthalpy of formation: -998.600 kJ/mol 05OLI/NOL + -analytic -12.18395E+0 00.00000E+0 80.02193E+1 00.00000E+0 00.00000E+0 + +Cu(SeO4):5H2O(s) +Cu(SeO4):5H2O = +1.000Cu+2 +1.000SeO4-2 +5.000H2O + log_k -2.44 #05OLI/NOL + delta_h +5.580 #kJ/mol +# Enthalpy of formation: -1973.330 kJ/mol 05OLI/NOL + -analytic -14.62426E-1 00.00000E+0 -29.14637E+1 00.00000E+0 00.00000E+0 + +Cu1.75S(cr) +Cu1.75S = +0.250Cu+2 +1.500Cu+ -1.000H+ +1.000HS- + log_k -31.22 #94THO/HEL + delta_h +179.717 #kJ/mol +# Enthalpy of formation: -73.910 kJ/mol + -analytic 26.50669E-2 00.00000E+0 -93.87273E+2 00.00000E+0 00.00000E+0 + +Cu1.934S(cr) +Cu1.934S = +0.066Cu+2 +1.868Cu+ -1.000H+ +1.000HS- + log_k -33.33 #94THO/HEL + delta_h +198.224 #kJ/mol +# Enthalpy of formation: -78.382 kJ/mol + -analytic 13.97354E-1 00.00000E+0 -10.35396E+3 00.00000E+0 00.00000E+0 + +Cu2Cl(OH)3(am) +Cu2Cl(OH)3 = +2.000Cu+2 -3.000H+ +1.000Cl- +3.000H2O + log_k +7.46 #00PUI/TAX + delta_h -79.445 #kJ/mol 97LUB/KOL +# Enthalpy of formation: -815.325 kJ/mol + -analytic -64.58167E-1 00.00000E+0 41.49701E+2 00.00000E+0 00.00000E+0 + +Cu2Cl(OH)3(s) +Cu2Cl(OH)3 = +2.000Cu+2 -3.000H+ +1.000Cl- +3.000H2O + log_k +6.90 #97LUB/KOL + delta_h -79.445 #kJ/mol 97LUB/KOL +# Enthalpy of formation: -815.325 kJ/mol + -analytic -70.18167E-1 00.00000E+0 41.49701E+2 00.00000E+0 00.00000E+0 + +Cu2O(cr) +Cu2O = +2.000Cu+ -2.000H+ +1.000H2O + log_k -0.62 #11PAL + delta_h +18.446 #kJ/mol +# Enthalpy of formation: -163.099 kJ/mol + -analytic 26.11600E-1 00.00000E+0 -96.35017E+1 00.00000E+0 00.00000E+0 Cu2Se(alfa) -Cu2Se = 2.000Cu+ - 1.000H+ + 1.000HSe- - log_k -45.890 #01SEB/POT2 - delta_h 216.940 #kJ/mol - # Enthalpy of formation: -59.3 #kJ/mol #05OLI/NOL - -analytic -7.8838E+0 0E+0 -1.13315E+4 0E+0 0E+0 +Cu2Se = +2.000Cu+ -1.000H+ +1.000HSe- + log_k -45.89 #01SEB/POT2 + delta_h +214.778 #kJ/mol +# Enthalpy of formation: -59.300 kJ/mol 05OLI/NOL + -analytic -82.62510E-1 00.00000E+0 -11.21864E+3 00.00000E+0 00.00000E+0 Cu3(AsO4)2(s) -Cu3(AsO4)2 = 3.000Cu+2 + 2.000AsO4-3 - log_k -34.880 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.488E+1 0E+0 0E+0 0E+0 0E+0 +Cu3(AsO4)2 = +3.000Cu+2 +2.000AsO4-3 + log_k -34.88 + -analytic -34.88000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +CuCl(s) +CuCl = +1.000Cu+ +1.000Cl- + log_k -6.82 #97WAN/ZHA + delta_h +41.579 #kJ/mol +# Enthalpy of formation: -138.070 kJ/mol 85CHA/DAV + -analytic 46.43281E-2 00.00000E+0 -21.71822E+2 00.00000E+0 00.00000E+0 + +CuCO3(s) +CuCO3 = +1.000Cu+2 +1.000CO3-2 + log_k -11.45 #99GRA/BER in 00PUI/TAX + delta_h -4.977 #kJ/mol +# Enthalpy of formation: -605.353 kJ/mol + -analytic -12.32193E+0 00.00000E+0 25.99668E+1 00.00000E+0 00.00000E+0 + +CuO(s) +CuO = +1.000Cu+2 -2.000H+ +1.000H2O + log_k +7.63 #21RIB/COL from 65SCH/ALT + delta_h -64.616 #kJ/mol +# Enthalpy of formation: -156.313 kJ/mol + -analytic -36.90237E-1 00.00000E+0 33.75129E+2 00.00000E+0 00.00000E+0 CuSe(alfa) -CuSe = 1.000Cu+2 - 1.000H+ + 1.000HSe- - log_k -25.460 - delta_h 118.700 #kJ/mol - # Enthalpy of formation: -39.5 #kJ/mol #05OLI/NOL - -analytic -4.66468E+0 0E+0 -6.20012E+3 0E+0 0E+0 +CuSe = +1.000Cu+2 -1.000H+ +1.000HSe- + log_k -25.46 + delta_h +118.700 #kJ/mol +# Enthalpy of formation: -39.500 kJ/mol 05OLI/NOL + -analytic -46.64653E-1 00.00000E+0 -62.00133E+2 00.00000E+0 00.00000E+0 CuSe(beta) -CuSe = 1.000Cu+2 - 1.000H+ + 1.000HSe- - log_k -25.130 - delta_h 116.000 #kJ/mol - # Enthalpy of formation: -36.8 #kJ/mol #05OLI/NOL - -analytic -4.8077E+0 0E+0 -6.05909E+3 0E+0 0E+0 +CuSe = +1.000Cu+2 -1.000H+ +1.000HSe- + log_k -25.13 + delta_h +116.000 #kJ/mol +# Enthalpy of formation: -36.800 kJ/mol 05OLI/NOL + -analytic -48.07672E-1 00.00000E+0 -60.59102E+2 00.00000E+0 00.00000E+0 Dawsonite -NaAl(CO3)(OH)2 = 1.000Na+ + 1.000Al+3 - 2.000H+ + 1.000CO3-2 + 2.000H2O - log_k -6.000 - delta_h -61.630 #kJ/mol - # Enthalpy of formation: -1964 #kJ/mol #76FER/STU - -analytic -1.67971E+1 0E+0 3.21915E+3 0E+0 0E+0 +NaAl(CO3)(OH)2 = +1.000Na+ +1.000Al+3 -2.000H+ +1.000CO3-2 +2.000H2O + log_k -6.00 + delta_h -61.630 #kJ/mol +# Enthalpy of formation: -1964.000 kJ/mol 76FER/STU + -analytic -16.79711E+0 00.00000E+0 32.19159E+2 00.00000E+0 00.00000E+0 + -Vm 59.300 Diaspore -AlO(OH) = 1.000Al+3 - 3.000H+ + 2.000H2O - log_k 6.860 - delta_h -108.760 #kJ/mol - # Enthalpy of formation: -1001.3 #kJ/mol #95ROB/HEM - -analytic -1.21939E+1 0E+0 5.68092E+3 0E+0 0E+0 +AlO(OH) = +1.000Al+3 -3.000H+ +2.000H2O + log_k +6.87 + delta_h -108.760 #kJ/mol +# Enthalpy of formation: -1001.300 kJ/mol 95ROB/HEM + -analytic -12.18393E+0 00.00000E+0 56.80930E+2 00.00000E+0 00.00000E+0 Dickite -Al2Si2O5(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O - log_k 9.390 - delta_h -185.218 #kJ/mol - # Enthalpy of formation: -4099.8 #kJ/mol #03FIA/MAJ - -analytic -2.30588E+1 0E+0 9.6746E+3 0E+0 0E+0 +Al2Si2O5(OH)4 = +2.000Al+3 -6.000H+ +2.000H4(SiO4) +1.000H2O + log_k +9.39 + delta_h -185.218 #kJ/mol +# Enthalpy of formation: -4099.800 kJ/mol 03FIA/MAJ + -analytic -23.05880E+0 00.00000E+0 96.74610E+2 00.00000E+0 00.00000E+0 Dolomite -CaMg(CO3)2 = 1.000Ca+2 + 1.000Mg+2 + 2.000CO3-2 - log_k -17.120 - delta_h -35.960 #kJ/mol - # Enthalpy of formation: -2324.5 #kJ/mol #95ROB/HEM - -analytic -2.34199E+1 0E+0 1.87832E+3 0E+0 0E+0 +CaMg(CO3)2 = +1.000Ca+2 +1.000Mg+2 +2.000CO3-2 + log_k -17.13 + delta_h -35.960 #kJ/mol +# Enthalpy of formation: -2324.500 kJ/mol 95ROB/HEM + -analytic -23.42992E+0 00.00000E+0 18.78322E+2 00.00000E+0 00.00000E+0 + -Vm 64.370 Downeyite -SeO2 = 2.000H+ + 1.000SeO3-2 - 1.000H2O - log_k -8.150 - delta_h 4.060 #kJ/mol - # Enthalpy of formation: -225.39 #kJ/mol #05OLI/NOL - -analytic -7.43872E+0 0E+0 -2.12068E+2 0E+0 0E+0 +SeO2 = +2.000H+ +1.000SeO3-2 -1.000H2O + log_k -8.15 + delta_h +4.060 #kJ/mol +# Enthalpy of formation: -225.390 kJ/mol 05OLI/NOL + -analytic -74.38719E-1 00.00000E+0 -21.20686E+1 00.00000E+0 00.00000E+0 Eastonite -KMg2Al3Si2O10(OH)2 = 2.000Mg+2 + 1.000K+ + 3.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O - log_k 46.320 - delta_h -518.108 #kJ/mol - # Enthalpy of formation: -6348.94 #kJ/mol #98HOL/POW - -analytic -4.44485E+1 0E+0 2.70626E+4 0E+0 0E+0 +KMg2Al3Si2O10(OH)2 = +2.000Mg+2 +1.000K+ +3.000Al+3 -14.000H+ +2.000H4(SiO4) +4.000H2O + log_k +46.30 + delta_h -518.108 #kJ/mol +# Enthalpy of formation: -6348.940 kJ/mol 98HOL/POW + -analytic -44.46863E+0 00.00000E+0 27.06267E+3 00.00000E+0 00.00000E+0 + -Vm 147.510 Epsonite -Mg(SO4):7H2O = 1.000Mg+2 + 1.000SO4-2 + 7.000H2O - log_k -1.880 #84HAR/MOL - delta_h 10.990 #kJ/mol - # Enthalpy of formation: -3388.14 #kJ/mol - -analytic 4.53625E-2 0E+0 -5.74047E+2 0E+0 0E+0 +Mg(SO4):7H2O = +1.000Mg+2 +1.000SO4-2 +7.000H2O + log_k -1.88 #84HAR/MOL + delta_h +10.990 #kJ/mol +# Enthalpy of formation: -3388.138 kJ/mol + -analytic 45.36535E-3 00.00000E+0 -57.40477E+1 00.00000E+0 00.00000E+0 Ettringite -Ca6Al2(SO4)3(OH)12:26H2O = 6.000Ca+2 + 2.000Al+3 - 12.000H+ + 3.000SO4-2 + 38.000H2O - log_k 56.970 #10BLA/BOU2 - delta_h -379.830 #kJ/mol - # Enthalpy of formation: -17544.53 #kJ/mol #10BLA/BOU2 - -analytic -9.57326E+0 0E+0 1.98399E+4 0E+0 0E+0 +Ca6Al2(SO4)3(OH)12:26H2O = +6.000Ca+2 +2.000Al+3 -12.000H+ +3.000SO4-2 +38.000H2O + log_k +56.97 #10BLA/BOU2 + delta_h -379.830 #kJ/mol +# Enthalpy of formation: -17544.530kJ/mol 10BLA/BOU2 + -analytic -95.73360E-1 00.00000E+0 19.83990E+3 00.00000E+0 00.00000E+0 + -Vm 710.320 Ettringite-Fe -Ca6Fe2(SO4)3(OH)12:26H2O = 6.000Ca+2 + 2.000Fe+3 - 12.000H+ + 3.000SO4-2 + 38.000H2O - log_k 54.550 #10BLA/BOU2 - delta_h -343.754 #kJ/mol - # Enthalpy of formation: -16601.806 #kJ/mol - -analytic -5.67303E+0 0E+0 1.79555E+4 0E+0 0E+0 - -Eu(CO3)(OH)(cr) -Eu(CO3)(OH) = 1.000Eu+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O - log_k -9.630 - delta_h -43.391 #kJ/mol - # Enthalpy of formation: -1523 #kJ/mol #05ROR/FUG - -analytic -1.72318E+1 0E+0 2.26647E+3 0E+0 0E+0 - -Eu(CO3)(OH):0.5H2O(s) -Eu(CO3)(OH):0.5H2O = 1.000Eu+3 - 1.000H+ + 1.000CO3-2 + 1.500H2O - log_k -7.800 #95SPA/BRU - delta_h -55.906 #kJ/mol - # Enthalpy of formation: -1653.4 #kJ/mol #05ROR/FUG - -analytic -1.75943E+1 0E+0 2.92017E+3 0E+0 0E+0 +Ca6Fe2(SO4)3(OH)12:26H2O = +6.000Ca+2 +2.000Fe+3 -12.000H+ +3.000SO4-2 +38.000H2O + log_k +54.55 #10BLA/BOU2 + delta_h -346.706 #kJ/mol +# Enthalpy of formation: -16600.951kJ/mol + -analytic -61.90284E-1 00.00000E+0 18.10972E+3 00.00000E+0 00.00000E+0 + -Vm 711.800 + +Eu(cr) +Eu = +1.000Eu+3 +3.000e- + log_k +100.64 + delta_h -605.325 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 82WAG/EVA + -analytic -54.08388E-1 00.00000E+0 31.61833E+3 00.00000E+0 00.00000E+0 Eu(NO3)3:6H2O(s) -Eu(NO3)3:6H2O = 1.000Eu+3 + 3.000NO3- + 6.000H2O - log_k 1.840 #95SPA/BRU - delta_h 16.839 #kJ/mol - # Enthalpy of formation: -2957.7 #kJ/mol #82WAG/EVA - -analytic 4.79006E+0 0E+0 -8.79561E+2 0E+0 0E+0 +Eu(NO3)3:6H2O = +1.000Eu+3 +3.000NO3- +6.000H2O + log_k +1.84 #95SPA/BRU + delta_h +16.845 #kJ/mol +# Enthalpy of formation: -2957.700 kJ/mol 82WAG/EVA + -analytic 47.91117E-1 00.00000E+0 -87.98756E+1 00.00000E+0 00.00000E+0 Eu(OH)3(am) -Eu(OH)3 = 1.000Eu+3 - 3.000H+ + 3.000H2O - log_k 17.600 #98DIA/RAG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.76E+1 0E+0 0E+0 0E+0 0E+0 +Eu(OH)3 = +1.000Eu+3 -3.000H+ +3.000H2O + log_k +17.60 #98DIA/RAG + -analytic 17.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Eu(OH)3(cr) -Eu(OH)3 = 1.000Eu+3 - 3.000H+ + 3.000H2O - log_k 15.460 #98DIA/RAG - delta_h -127.542 #kJ/mol - # Enthalpy of formation: -1335.279 #kJ/mol - -analytic -6.88437E+0 0E+0 6.66197E+3 0E+0 0E+0 +Eu(OH)3 = +1.000Eu+3 -3.000H+ +3.000H2O + log_k +15.46 #98DIA/RAG + delta_h -127.543 #kJ/mol +# Enthalpy of formation: -1335.272 kJ/mol + -analytic -68.84574E-1 00.00000E+0 66.62035E+2 00.00000E+0 00.00000E+0 Eu(PO4):xH2O(s) -Eu(PO4) = 1.000Eu+3 - 2.000H+ + 1.000H2(PO4)- - log_k -4.840 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.84E+0 0E+0 0E+0 0E+0 0E+0 +Eu(PO4) = +1.000Eu+3 -2.000H+ +1.000H2(PO4)- + log_k -4.84 #95SPA/BRU + -analytic -48.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 -Eu(cr) -Eu = 1.000Eu+3 + 1.500H2O - 3.000H+ - 0.750O2 - log_k 165.125 - delta_h -1024.976 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA - -analytic -1.44427E+1 0E+0 5.35381E+4 0E+0 0E+0 - -Eu2(CO3)3:3H2O(s) -Eu2(CO3)3:3H2O = 2.000Eu+3 + 3.000CO3-2 + 3.000H2O - log_k -35.000 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.5E+1 0E+0 0E+0 0E+0 0E+0 +Eu2(CO3)3(s) +Eu2(CO3)3 = +2.000Eu+3 +3.000CO3-2 + log_k -35.00 #95SPA/BRU + -analytic -35.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Eu2(SO4)3:8H2O(s) -Eu2(SO4)3:8H2O = 2.000Eu+3 + 3.000SO4-2 + 8.000H2O - log_k -10.200 #95SPA/BRU - delta_h -90.974 #kJ/mol - # Enthalpy of formation: -6134.348 #kJ/mol - -analytic -2.61379E+1 0E+0 4.7519E+3 0E+0 0E+0 +Eu2(SO4)3:8H2O = +2.000Eu+3 +3.000SO4-2 +8.000H2O + log_k -10.20 #95SPA/BRU + delta_h -90.974 #kJ/mol +# Enthalpy of formation: -6134.332 kJ/mol + -analytic -26.13796E+0 00.00000E+0 47.51903E+2 00.00000E+0 00.00000E+0 Eu2O3(cubic) -Eu2O3 = 2.000Eu+3 - 6.000H+ + 3.000H2O - log_k 52.400 #95SPA/BRU - delta_h -405.453 #kJ/mol - # Enthalpy of formation: -1662.7 #kJ/mol #82WAG/EVA - -analytic -1.86322E+1 0E+0 2.11783E+4 0E+0 0E+0 +Eu2O3 = +2.000Eu+3 -6.000H+ +3.000H2O + log_k +52.40 #95SPA/BRU + delta_h -405.440 #kJ/mol +# Enthalpy of formation: -1662.700 kJ/mol 82WAG/EVA + -analytic -18.63004E+0 00.00000E+0 21.17761E+3 00.00000E+0 00.00000E+0 Eu2O3(monoclinic) -Eu2O3 = 2.000Eu+3 - 6.000H+ + 3.000H2O - log_k 53.470 - delta_h -418.514 #kJ/mol - # Enthalpy of formation: -1649.638 #kJ/mol - -analytic -1.98504E+1 0E+0 2.18605E+4 0E+0 0E+0 +Eu2O3 = +2.000Eu+3 -6.000H+ +3.000H2O + log_k +53.47 + delta_h -418.513 #kJ/mol +# Enthalpy of formation: -1649.626 kJ/mol + -analytic -19.85033E+0 00.00000E+0 21.86046E+3 00.00000E+0 00.00000E+0 Eu3O4(s) -Eu3O4 = 3.000Eu+3 - 9.000H+ + 4.500H2O - 0.250O2 - log_k 114.515 - delta_h -829.196 #kJ/mol - # Enthalpy of formation: -2270 #kJ/mol - -analytic -3.07536E+1 0E+0 4.33118E+4 0E+0 0E+0 +Eu3O4 = +3.000Eu+3 -8.000H+ +1.000e- +4.000H2O + log_k +93.02 + delta_h -688.765 #kJ/mol +# Enthalpy of formation: -2270.529 kJ/mol + -analytic -27.64645E+0 00.00000E+0 35.97670E+3 00.00000E+0 00.00000E+0 EuBr3(s) -EuBr3 = 1.000Eu+3 + 3.000Br- - log_k 30.190 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.019E+1 0E+0 0E+0 0E+0 0E+0 +EuBr3 = +1.000Eu+3 +3.000Br- + log_k +30.19 #95SPA/BRU + -analytic 30.19000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 EuCl(OH)2(s) -EuCl(OH)2 = 1.000Eu+3 - 2.000H+ + 1.000Cl- + 2.000H2O - log_k 9.130 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.13E+0 0E+0 0E+0 0E+0 0E+0 +EuCl(OH)2 = +1.000Eu+3 -2.000H+ +1.000Cl- +2.000H2O + log_k +9.13 #95SPA/BRU + -analytic 91.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 EuCl2(s) -EuCl2 = 1.000Eu+3 + 2.000Cl- + 0.500H2O - 1.000H+ - 0.250O2 - log_k 32.715 #95SPA/BRU - delta_h -255.373 #kJ/mol - # Enthalpy of formation: -824 #kJ/mol #82WAG/EVA - -analytic -1.20243E+1 0E+0 1.3339E+4 0E+0 0E+0 +EuCl2 = +1.000Eu+3 +1.000e- +2.000Cl- + log_k +11.22 #95SPA/BRU + delta_h -115.485 #kJ/mol +# Enthalpy of formation: -824.000 kJ/mol 82WAG/EVA + -analytic -90.12104E-1 00.00000E+0 60.32202E+2 00.00000E+0 00.00000E+0 EuCl3(s) -EuCl3 = 1.000Eu+3 + 3.000Cl- - log_k 19.720 #96FAL/REA - delta_h -170.571 #kJ/mol - # Enthalpy of formation: -936 #kJ/mol #82WAG/EVA - -analytic -1.01627E+1 0E+0 8.90953E+3 0E+0 0E+0 +EuCl3 = +1.000Eu+3 +3.000Cl- + log_k +19.72 #96FAL/REA + delta_h -170.565 #kJ/mol +# Enthalpy of formation: -936.000 kJ/mol 82WAG/EVA + -analytic -10.16171E+0 00.00000E+0 89.09230E+2 00.00000E+0 00.00000E+0 EuCl3:6H2O(s) -EuCl3:6H2O = 1.000Eu+3 + 3.000Cl- + 6.000H2O - log_k 5.200 #95SPA/BRU - delta_h -41.414 #kJ/mol - # Enthalpy of formation: -2780.137 #kJ/mol - -analytic -2.05541E+0 0E+0 2.1632E+3 0E+0 0E+0 +EuCl3:6H2O = +1.000Eu+3 +3.000Cl- +6.000H2O + log_k +5.20 #95SPA/BRU + delta_h -41.414 #kJ/mol +# Enthalpy of formation: -2780.128 kJ/mol + -analytic -20.55421E-1 00.00000E+0 21.63204E+2 00.00000E+0 00.00000E+0 + +EuCO3OH(cr) +Eu(CO3)(OH) = +1.000Eu+3 -1.000H+ +1.000CO3-2 +1.000H2O + log_k -9.63 + delta_h -43.385 #kJ/mol +# Enthalpy of formation: -1523.000 kJ/mol 05ROR/FUG + -analytic -17.23073E+0 00.00000E+0 22.66156E+2 00.00000E+0 00.00000E+0 + +EuCO3OH:0.5H2O(s) +Eu(CO3)(OH):0.5H2O = +1.000Eu+3 -1.000H+ +1.000CO3-2 +1.500H2O + log_k -7.80 #95SPA/BRU + delta_h -55.900 #kJ/mol +# Enthalpy of formation: -1653.400 kJ/mol 05ROR/FUG + -analytic -17.59326E+0 00.00000E+0 29.19860E+2 00.00000E+0 00.00000E+0 EuF3(s) -EuF3 = 1.000Eu+3 + 3.000F- - log_k -18.500 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.85E+1 0E+0 0E+0 0E+0 0E+0 +EuF3 = +1.000Eu+3 +3.000F- + log_k -18.50 #96FAL/REA + -analytic -18.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 EuF3:0.5H2O(s) -EuF3:0.5H2O = 1.000Eu+3 + 3.000F- + 0.500H2O - log_k -17.200 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.72E+1 0E+0 0E+0 0E+0 0E+0 +EuF3:0.5H2O = +1.000Eu+3 +3.000F- +0.500H2O + log_k -17.20 #95SPA/BRU + -analytic -17.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 EuO(s) -EuO = 1.000Eu+3 - 3.000H+ + 1.500H2O - 0.250O2 - log_k 66.265 - delta_h -439.894 #kJ/mol - # Enthalpy of formation: -591.149 #kJ/mol - -analytic -1.08009E+1 0E+0 2.29772E+4 0E+0 0E+0 +EuO = +1.000Eu+3 -2.000H+ +1.000e- +1.000H2O + log_k +44.77 + delta_h -300.012 #kJ/mol +# Enthalpy of formation: -591.143 kJ/mol + -analytic -77.89846E-1 00.00000E+0 15.67072E+3 00.00000E+0 00.00000E+0 EuOCl(s) -EuOCl = 1.000Eu+3 - 2.000H+ + 1.000Cl- + 1.000H2O - log_k 15.810 #95SPA/BRU - delta_h -154.741 #kJ/mol - # Enthalpy of formation: -903.5 #kJ/mol - -analytic -1.12994E+1 0E+0 8.08267E+3 0E+0 0E+0 +EuOCl = +1.000Eu+3 -2.000H+ +1.000Cl- +1.000H2O + log_k +15.81 #95SPA/BRU + delta_h -154.735 #kJ/mol +# Enthalpy of formation: -903.500 kJ/mol 98BUR/PET + -analytic -11.29841E+0 00.00000E+0 80.82372E+2 00.00000E+0 00.00000E+0 EuPO4:H2O(cr) -EuPO4:H2O = 1.000Eu+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O - log_k -6.440 #97LIU/BYR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.44E+0 0E+0 0E+0 0E+0 0E+0 +EuPO4:H2O = +1.000Eu+3 -2.000H+ +1.000H2(PO4)- +1.000H2O + log_k -6.44 #97LIU/BYR + -analytic -64.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 EuSO4(s) -EuSO4 = 1.000Eu+3 + 1.000SO4-2 + 0.500H2O - 1.000H+ - 0.250O2 - log_k 18.975 #95SPA/BRU - delta_h -232.746 #kJ/mol - # Enthalpy of formation: -1421.807 #kJ/mol - -analytic -2.18002E+1 0E+0 1.21571E+4 0E+0 0E+0 +EuSO4 = +1.000Eu+3 +1.000e- +1.000SO4-2 + log_k -2.52 #95SPA/BRU + delta_h -92.864 #kJ/mol +# Enthalpy of formation: -1421.801 kJ/mol + -analytic -18.78907E+0 00.00000E+0 48.50625E+2 00.00000E+0 00.00000E+0 Fayalite -Fe2(SiO4) = 2.000Fe+2 - 4.000H+ + 1.000H4(SiO4) - log_k 19.510 - delta_h -163.054 #kJ/mol - # Enthalpy of formation: -1478.14 #kJ/mol #95ROB/HEM - -analytic -9.05579E+0 0E+0 8.51689E+3 0E+0 0E+0 +Fe2(SiO4) = +2.000Fe+2 -4.000H+ +1.000H4(SiO4) + log_k +19.55 + delta_h -163.644 #kJ/mol +# Enthalpy of formation: -1478.140 kJ/mol 95ROB/HEM + -analytic -91.19198E-1 00.00000E+0 85.47721E+2 00.00000E+0 00.00000E+0 + +Fe(alpha,cr) +Fe = +1.000Fe+2 +2.000e- + log_k +15.89 + delta_h -90.295 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 13LEM/BER + -analytic 70.99504E-3 00.00000E+0 47.16436E+2 00.00000E+0 00.00000E+0 Fe(OH)2(cr) -Fe(OH)2 = 1.000Fe+2 - 2.000H+ + 2.000H2O - log_k 12.760 - delta_h -99.056 #kJ/mol - # Enthalpy of formation: -574.011 #kJ/mol - -analytic -4.59384E+0 0E+0 5.17405E+3 0E+0 0E+0 +Fe(OH)2 = +1.000Fe+2 -2.000H+ +2.000H2O + log_k +12.78 + delta_h -87.915 #kJ/mol +# Enthalpy of formation: -574.040 kJ/mol 98CHA in 04CHI + -analytic -26.22047E-1 00.00000E+0 45.92120E+2 00.00000E+0 00.00000E+0 Fe(PO4)(cr) -Fe(PO4) = 1.000Fe+3 - 2.000H+ + 1.000H2(PO4)- - log_k -6.240 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - delta_h -18.600 #kJ/mol - # Enthalpy of formation: -1333 #kJ/mol - -analytic -9.49858E+0 0E+0 9.71544E+2 0E+0 0E+0 - -Fe(s) -Fe = 1.000Fe+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 58.850 #95PAR/KHO in 98CHI - delta_h -369.763 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol - -analytic -5.9296E+0 0E+0 1.9314E+4 0E+0 0E+0 +Fe(PO4) = +1.000Fe+3 -2.000H+ +1.000H2(PO4)- + log_k -1.39 + delta_h -85.096 #kJ/mol +# Enthalpy of formation: -1267.560 kJ/mol 20LEM/PAL + -analytic -16.29818E+0 00.00000E+0 44.44874E+2 00.00000E+0 00.00000E+0 + +Fe0.932O(s) +Fe0.932O = +0.932Fe+2 -2.000H+ -0.136e- +1.000H2O + log_k +13.51 + delta_h -104.185 #kJ/mol +# Enthalpy of formation: -265.800 kJ/mol 20LEM/PAL + -analytic -47.42428E-1 00.00000E+0 54.41962E+2 00.00000E+0 00.00000E+0 Fe1.04Se(beta) -Fe1.04Se = 1.040Fe+2 - 1.080H+ + 1.000HSe- + 0.040H2O - 0.020O2 - log_k -1.680 - delta_h -20.891 #kJ/mol - # Enthalpy of formation: -69.6 #kJ/mol #05OLI/NOL - -analytic -5.34026E+0 0E+0 1.09119E+3 0E+0 0E+0 +Fe1.04Se = +1.040Fe+2 -1.000H+ +0.080e- +1.000HSe- + log_k -3.38 + delta_h -10.007 #kJ/mol +# Enthalpy of formation: -69.600 kJ/mol 05OLI/NOL + -analytic -51.33151E-1 00.00000E+0 52.27020E+1 00.00000E+0 00.00000E+0 Fe2(SeO3)3:6H2O(s) -Fe2(SeO3)3:6H2O = 2.000Fe+3 + 3.000SeO3-2 + 6.000H2O - log_k -41.580 #05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.158E+1 0E+0 0E+0 0E+0 0E+0 +Fe2(SeO3)3:6H2O = +2.000Fe+3 +3.000SeO3-2 +6.000H2O + log_k -41.58 #05OLI/NOL + -analytic -41.58000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Fe3O4(s) +Fe3O4 = +2.000Fe+3 +1.000Fe+2 -8.000H+ +4.000H2O + log_k +12.60 #18BRU/GON + -analytic 12.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Fe3Se4(gamma) -Fe3Se4 = 3.000Fe+2 - 2.000H+ + 4.000HSe- - 1.000H2O + 0.500O2 - log_k -68.590 - delta_h 301.963 #kJ/mol - # Enthalpy of formation: -235 #kJ/mol #05OLI/NOL - -analytic -1.56884E+1 0E+0 -1.57726E+4 0E+0 0E+0 - -Fe5(OH)(PO4)3(s) -Fe5(OH)(PO4)3 = 5.000Fe+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O - log_k -402.320 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.0232E+2 0E+0 0E+0 0E+0 0E+0 +Fe3Se4 = +3.000Fe+2 -4.000H+ -2.000e- +4.000HSe- + log_k -25.53 + delta_h +21.315 #kJ/mol +# Enthalpy of formation: -235.000 kJ/mol 05OLI/NOL + -analytic -21.79577E+0 00.00000E+0 -11.13360E+2 00.00000E+0 00.00000E+0 Fe7Se8(alfa) -Fe7Se8 = 7.000Fe+2 - 6.000H+ + 8.000HSe- - 1.000H2O + 0.500O2 - log_k -78.590 - delta_h 227.663 #kJ/mol - # Enthalpy of formation: -463.5 #kJ/mol #05OLI/NOL - -analytic -3.87052E+1 0E+0 -1.18916E+4 0E+0 0E+0 +Fe7Se8 = +7.000Fe+2 -8.000H+ -2.000e- +8.000HSe- + log_k -35.44 + delta_h -54.165 #kJ/mol +# Enthalpy of formation: -463.500 kJ/mol 05OLI/NOL + -analytic -44.92930E+0 00.00000E+0 28.29235E+2 00.00000E+0 00.00000E+0 FeAl2O4(s) -FeAl2O4 = 1.000Fe+2 + 2.000Al+3 - 8.000H+ + 4.000H2O - log_k 27.200 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.72E+1 0E+0 0E+0 0E+0 0E+0 +FeAl2O4 = +1.000Fe+2 +2.000Al+3 -8.000H+ +4.000H2O + log_k +27.20 #96FAL/REA + -analytic 27.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +FeF2(cr) +FeF2 = +1.000Fe+2 +2.000F- + log_k -2.76 + delta_h -48.895 #kJ/mol +# Enthalpy of formation: -712.100 kJ/mol 13LEM/BER + -analytic -11.32604E+0 00.00000E+0 25.53964E+2 00.00000E+0 00.00000E+0 FeMoO4(s) -FeMoO4 = 1.000Fe+2 + 1.000MoO4-2 - log_k -8.350 - delta_h -11.534 #kJ/mol - # Enthalpy of formation: -1075.466 #kJ/mol - -analytic -1.03707E+1 0E+0 6.02462E+2 0E+0 0E+0 +FeMoO4 = +1.000Fe+2 +1.000MoO4-2 + log_k -8.32 + delta_h -11.893 #kJ/mol +# Enthalpy of formation: -1075.402 kJ/mol + -analytic -10.40356E+0 00.00000E+0 62.12147E+1 00.00000E+0 00.00000E+0 FeO(s) -FeO = 1.000Fe+2 - 2.000H+ + 1.000H2O - log_k 13.370 #95ROB/HEM - delta_h -103.830 #kJ/mol - # Enthalpy of formation: -272 #kJ/mol - -analytic -4.82021E+0 0E+0 5.42341E+3 0E+0 0E+0 - -FeS(am) -FeS = 1.000Fe+2 - 1.000H+ + 1.000HS- - log_k -2.950 #91DAV - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.95E+0 0E+0 0E+0 0E+0 0E+0 +FeO = +1.000Fe+2 -2.000H+ +1.000H2O + log_k +13.39 + delta_h -104.125 #kJ/mol +# Enthalpy of formation: -272.000 kJ/mol 95ROB/HEM + -analytic -48.51917E-1 00.00000E+0 54.38828E+2 00.00000E+0 00.00000E+0 + -Vm 12.000 Ferrihydrite(am) -Fe(OH)3 = 1.000Fe+3 - 3.000H+ + 3.000H2O - log_k 2.540 #63SCH/MIC - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.54E+0 0E+0 0E+0 0E+0 0E+0 +Fe(OH)3 = +1.000Fe+3 -3.000H+ +3.000H2O + log_k +3.92 #21RIB/BEG from 04MAJ/NAV + -analytic 39.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Ferrihydrite(cr) +Fe(OH)3 = +1.000Fe+3 -3.000H+ +3.000H2O + log_k +1.22 #21RIB/BEG from 05GRI + -analytic 12.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Ferrihydrite(s) +Fe(OH)3 = +1.000Fe+3 -3.000H+ +3.000H2O + log_k +2.78 #21RIB/BEG from 63SCH/MIC + -analytic 27.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Ferroselite -FeSe2 = 1.000Fe+2 + 2.000HSe- - 1.000H2O + 0.500O2 - log_k -60.120 #05OLI/NOL - delta_h 327.063 #kJ/mol - # Enthalpy of formation: -108.7 #kJ/mol #05OLI/NOL - -analytic -2.82111E+0 0E+0 -1.70837E+4 0E+0 0E+0 +FeSe2 = +1.000Fe+2 -2.000H+ -2.000e- +2.000HSe- + log_k -17.10 + delta_h +47.005 #kJ/mol +# Enthalpy of formation: -108.700 kJ/mol 05OLI/NOL + -analytic -88.65077E-1 00.00000E+0 -24.55242E+2 00.00000E+0 00.00000E+0 Ferrosilite -FeSiO3 = 1.000Fe+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O - log_k 32.710 #95TRO: CEA, N.T.SESD n° 95/49, L. TROTIGNON avril 1996; Critique et sélection de données thermodynamiques en vue de modéliser les équilibres minéral - solution, rapport annuel 1995 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.271E+1 0E+0 0E+0 0E+0 0E+0 - -Ferryhydrite -Fe(OH)3 = 1.000Fe+3 - 3.000H+ + 3.000H2O - log_k 1.190 #05GRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.19E+0 0E+0 0E+0 0E+0 0E+0 +FeSiO3 = +1.000Fe+2 -2.000H+ +1.000H4(SiO4) -1.000H2O + log_k +32.71 #95TRO: CEA, N.T.SESD n° 95/49, L. TROTIGNON avril 1996; Critique et sélection de données thermodynamiques en vue de modéliser les équilibres minéral - solution, rapport annuel 1995 + -analytic 32.71000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +FeS(am) +FeS = +1.000Fe+2 -1.000H+ +1.000HS- + log_k -2.95 #91DAV + -analytic -29.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Fluorapatite -Ca5F(PO4)3 = 5.000Ca+2 - 6.000H+ + 1.000F- + 3.000H2(PO4)- - log_k -0.910 #74HAG - delta_h -115.603 #kJ/mol - # Enthalpy of formation: -6842.547 #kJ/mol - -analytic -2.11627E+1 0E+0 6.03836E+3 0E+0 0E+0 +Ca5F(PO4)3 = +5.000Ca+2 -6.000H+ +1.000F- +3.000H2(PO4)- + log_k -0.91 #74HAG + delta_h -115.603 #kJ/mol +# Enthalpy of formation: -6842.544 kJ/mol + -analytic -21.16278E+0 00.00000E+0 60.38365E+2 00.00000E+0 00.00000E+0 + -Vm 157.600 Fluorite -CaF2 = 1.000Ca+2 + 2.000F- - log_k -10.600 - delta_h 19.623 #kJ/mol - # Enthalpy of formation: -1233.323 #kJ/mol - -analytic -7.1622E+0 0E+0 -1.02498E+3 0E+0 0E+0 +CaF2 = +1.000Ca+2 +2.000F- + log_k -10.60 #96FAL/REA + delta_h +19.623 #kJ/mol 90NOR/PLU +# Enthalpy of formation: -1233.323 kJ/mol + -analytic -71.62198E-1 00.00000E+0 -10.24981E+2 00.00000E+0 00.00000E+0 + -Vm 24.540 Foshagite -Ca4Si3O9(OH)2:0.5H2O = 4.000Ca+2 - 8.000H+ + 3.000H4(SiO4) - 0.500H2O - log_k 65.960 #10BLA/BOU1 - delta_h -380.237 #kJ/mol - # Enthalpy of formation: -6032.43 #kJ/mol #56NEW - -analytic -6.54565E-1 0E+0 1.98611E+4 0E+0 0E+0 +Ca4Si3O9(OH)2:0.5H2O = +4.000Ca+2 -8.000H+ +3.000H4(SiO4) -0.500H2O + log_k +65.96 #10BLA/BOU1 + delta_h -380.237 #kJ/mol +# Enthalpy of formation: -6032.430 kJ/mol 56NEW + -analytic -65.46629E-2 00.00000E+0 19.86116E+3 00.00000E+0 00.00000E+0 + -Vm 160.660 Friedel-salt -Ca4Al2(OH)12Cl2:4H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 2.000Cl- + 16.000H2O - log_k 74.930 #10BLA/BOU2 - delta_h -486.200 #kJ/mol - # Enthalpy of formation: -7670.04 #kJ/mol #76HOU/STE - -analytic -1.02485E+1 0E+0 2.5396E+4 0E+0 0E+0 +Ca4Al2(OH)12Cl2:4H2O = +4.000Ca+2 +2.000Al+3 -12.000H+ +2.000Cl- +16.000H2O + log_k +74.93 #10BLA/BOU2 + delta_h -486.200 #kJ/mol +# Enthalpy of formation: -7670.040 kJ/mol 76HOU/STE + -analytic -10.24858E+0 00.00000E+0 25.39599E+3 00.00000E+0 00.00000E+0 + -Vm 276.240 Galena -PbS = 1.000Pb+2 - 1.000H+ + 1.000HS- - log_k -14.840 - delta_h 82.940 #kJ/mol - # Enthalpy of formation: -98.32 #kJ/mol #98CHA - -analytic -3.09557E-1 0E+0 -4.33225E+3 0E+0 0E+0 +PbS = +1.000Pb+2 -1.000H+ +1.000HS- + log_k -14.84 + delta_h +82.940 #kJ/mol +# Enthalpy of formation: -98.320 kJ/mol 98CHA + -analytic -30.95357E-2 00.00000E+0 -43.32258E+2 00.00000E+0 00.00000E+0 Gaylussite -CaNa2(CO3)2:5H2O = 1.000Ca+2 + 2.000Na+ + 2.000CO3-2 + 5.000H2O - log_k -9.430 #99KON/KON - delta_h 31.099 #kJ/mol - # Enthalpy of formation: -3834.389 #kJ/mol - -analytic -3.9817E+0 0E+0 -1.62441E+3 0E+0 0E+0 +CaNa2(CO3)2:5H2O = +1.000Ca+2 +2.000Na+ +2.000CO3-2 +5.000H2O + log_k -9.43 #99KON/KON + delta_h +31.099 #kJ/mol +# Enthalpy of formation: -3834.387 kJ/mol + -analytic -39.81689E-1 00.00000E+0 -16.24414E+2 00.00000E+0 00.00000E+0 Gibbsite -Al(OH)3 = 1.000Al+3 - 3.000H+ + 3.000H2O - log_k 7.740 #95POK/HEL - delta_h -102.759 #kJ/mol - # Enthalpy of formation: -1293.131 #kJ/mol - -analytic -1.02626E+1 0E+0 5.36747E+3 0E+0 0E+0 +Al(OH)3 = +1.000Al+3 -3.000H+ +3.000H2O + log_k +7.74 #95POK/HEL + delta_h -102.784 #kJ/mol +# Enthalpy of formation: -1293.105 kJ/mol + -analytic -10.26698E+0 00.00000E+0 53.68782E+2 00.00000E+0 00.00000E+0 + -Vm 31.960 Gismondine -Ca2Al4Si4O16:9H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 4.000H4(SiO4) + 9.000H2O - log_k 39.010 - delta_h -477.046 #kJ/mol - # Enthalpy of formation: -11179.8 #kJ/mol #89CHE/RIM - -analytic -4.45647E+1 0E+0 2.49178E+4 0E+0 0E+0 +Ca2Al4Si4O16:9H2O = +2.000Ca+2 +4.000Al+3 -16.000H+ +4.000H4(SiO4) +9.000H2O + log_k +38.97 + delta_h -477.046 #kJ/mol +# Enthalpy of formation: -11179.800kJ/mol 89CHE/RIM + -analytic -44.60487E+0 00.00000E+0 24.91785E+3 00.00000E+0 00.00000E+0 + -Vm 315.070 Glaserite -Na2K6(SO4)4 = 6.000K+ + 2.000Na+ + 4.000SO4-2 - log_k -7.610 #80HAR/WEA - delta_h 78.360 #kJ/mol - # Enthalpy of formation: -5709.24 #kJ/mol - -analytic 6.11806E+0 0E+0 -4.09302E+3 0E+0 0E+0 +Na2K6(SO4)4 = +6.000K+ +2.000Na+ +4.000SO4-2 + log_k -7.61 #80HAR/WEA + delta_h +78.360 #kJ/mol +# Enthalpy of formation: -5709.240 kJ/mol 80HAR/WEA + -analytic 61.18083E-1 00.00000E+0 -40.93028E+2 00.00000E+0 00.00000E+0 Glauberite -Na2Ca(SO4)2 = 1.000Ca+2 + 2.000Na+ + 2.000SO4-2 - log_k 1.970 #84HAR/MOL - delta_h -13.160 #kJ/mol - # Enthalpy of formation: -2829.2 #kJ/mol #82WAG/EVA - -analytic -3.3553E-1 0E+0 6.87394E+2 0E+0 0E+0 +Na2Ca(SO4)2 = +1.000Ca+2 +2.000Na+ +2.000SO4-2 + log_k +1.97 #84HAR/MOL + delta_h -13.160 #kJ/mol +# Enthalpy of formation: -2829.200 kJ/mol 82WAG/EVA + -analytic -33.55330E-2 00.00000E+0 68.73947E+1 00.00000E+0 00.00000E+0 Glauconite -(K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 = 0.250Mg+2 + 0.750K+ + 1.250Fe+3 + 0.250Fe+2 + 0.500Al+3 - 7.000H+ + 3.750H4(SiO4) - 3.000H2O - log_k 1.860 - delta_h -129.662 #kJ/mol - # Enthalpy of formation: -5151.13 #kJ/mol #15BLA/VIE - -analytic -2.08558E+1 0E+0 6.77271E+3 0E+0 0E+0 +(K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 = +0.250Mg+2 +0.750K+ +1.250Fe+3 +0.250Fe+2 +0.500Al+3 -7.000H+ +3.750H4(SiO4) -3.000H2O + log_k +1.84 + delta_h -131.056 #kJ/mol +# Enthalpy of formation: -5151.130 kJ/mol 15BLA/VIE + -analytic -21.12003E+0 00.00000E+0 68.45532E+2 00.00000E+0 00.00000E+0 + -Vm 139.760 Goethite -FeOOH = 1.000Fe+3 - 3.000H+ + 2.000H2O - log_k 0.390 #63SCH/MIC - delta_h -61.522 #kJ/mol - # Enthalpy of formation: -559.124 #kJ/mol - -analytic -1.03882E+1 0E+0 3.21351E+3 0E+0 0E+0 +FeOOH = +1.000Fe+3 -3.000H+ +2.000H2O + log_k +0.17 + delta_h -61.256 #kJ/mol +# Enthalpy of formation: -560.460 kJ/mol 13LEM/BER + -analytic -10.56159E+0 00.00000E+0 31.99624E+2 00.00000E+0 00.00000E+0 + -Vm 20.820 + +GR-Cl +Fe3Fe(OH)8Cl = +4.000Fe+2 -8.000H+ -1.000e- +1.000Cl- +8.000H2O + log_k +41.80 + -analytic 41.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +GR-CO3 +Fe4Fe2(OH)12CO3:2H2O = +6.000Fe+2 -12.000H+ -2.000e- +1.000CO3-2 +14.000H2O + log_k +55.50 + -analytic 55.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Greenalite -Fe3Si2O5(OH)4 = 3.000Fe+2 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O - log_k 21.770 - delta_h -177.218 #kJ/mol - # Enthalpy of formation: -3301 #kJ/mol #83MIY/KLE - -analytic -9.27722E+0 0E+0 9.25673E+3 0E+0 0E+0 +Fe3Si2O5(OH)4 = +3.000Fe+2 -6.000H+ +2.000H4(SiO4) +1.000H2O + log_k +21.82 + delta_h -178.103 #kJ/mol +# Enthalpy of formation: -3301.000 kJ/mol 83MIY/KLE + -analytic -93.82306E-1 00.00000E+0 93.02968E+2 00.00000E+0 00.00000E+0 + -Vm 115.000 + +Greigite +Fe3S4 = +3.000Fe+2 -4.000H+ -2.000e- +4.000HS- + log_k -15.03 + -analytic -15.03000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +GR-SO4 +Fe4Fe2(OH)12SO4 = +6.000Fe+2 -12.000H+ -2.000e- +1.000SO4-2 +12.000H2O + log_k +58.30 + -analytic 58.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Gypsum -CaSO4:2H2O = 1.000Ca+2 + 1.000SO4-2 + 2.000H2O - log_k -4.610 - delta_h -1.050 #kJ/mol - # Enthalpy of formation: -2022.95 #kJ/mol #87GAR/PAR - -analytic -4.79395E+0 0E+0 5.48452E+1 0E+0 0E+0 +CaSO4:2H2O = +1.000Ca+2 +1.000SO4-2 +2.000H2O + log_k -4.61 + delta_h -1.050 #kJ/mol +# Enthalpy of formation: -2022.950 kJ/mol 87GAR/PAR + -analytic -47.93952E-1 00.00000E+0 54.84532E+0 00.00000E+0 00.00000E+0 + -Vm 74.690 Gyrolite -Ca2Si3O7.5(OH):2H2O = 2.000Ca+2 - 4.000H+ + 3.000H4(SiO4) - 1.500H2O - log_k 22.340 #10BLA/BOU1 - delta_h -122.847 #kJ/mol - # Enthalpy of formation: -4917.99 #kJ/mol #10BLA/BOU1 - -analytic 8.18161E-1 0E+0 6.41674E+3 0E+0 0E+0 +Ca2Si3O7.5(OH):2H2O = +2.000Ca+2 -4.000H+ +3.000H4(SiO4) -1.500H2O + log_k +22.34 #10BLA/BOU1 + delta_h -122.847 #kJ/mol +# Enthalpy of formation: -4917.990 kJ/mol 10BLA/BOU1 + -analytic 81.81294E-2 00.00000E+0 64.16746E+2 00.00000E+0 00.00000E+0 + -Vm 137.340 H2MoO4(s) -H2MoO4 = 2.000H+ + 1.000MoO4-2 - log_k -13.170 - delta_h 48.763 #kJ/mol - # Enthalpy of formation: -1045.763 #kJ/mol - -analytic -4.6271E+0 0E+0 -2.54707E+3 0E+0 0E+0 +H2MoO4 = +2.000H+ +1.000MoO4-2 + log_k -13.17 + delta_h +48.763 #kJ/mol +# Enthalpy of formation: -1045.763 kJ/mol + -analytic -46.27089E-1 00.00000E+0 -25.47069E+2 00.00000E+0 00.00000E+0 H3Cit:H2O(cr) -H3Cit:H2O = 3.000H+ + 1.000Cit-3 + 1.000H2O - log_k -12.940 #05HUM/AND - delta_h 32.710 #kJ/mol - # Enthalpy of formation: -1838.46 #kJ/mol - -analytic -7.20946E+0 0E+0 -1.70856E+3 0E+0 0E+0 +H3Cit:H2O = +3.000H+ +1.000Cit-3 +1.000H2O + log_k -12.94 #05HUM/AND + delta_h +32.710 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1838.460 kJ/mol + -analytic -72.09454E-1 00.00000E+0 -17.08562E+2 00.00000E+0 00.00000E+0 H4Edta(cr) -H4Edta = 4.000H+ + 1.000Edta-4 - log_k -27.220 #05HUM/AND - delta_h 55.000 #kJ/mol - # Enthalpy of formation: -1759.8 #kJ/mol - -analytic -1.75844E+1 0E+0 -2.87285E+3 0E+0 0E+0 +H4Edta = +4.000H+ +1.000Edta-4 + log_k -27.22 #05HUM/AND + delta_h +55.000 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1759.800 kJ/mol + -analytic -17.58441E+0 00.00000E+0 -28.72850E+2 00.00000E+0 00.00000E+0 + +Halite +NaCl = +1.000Na+ +1.000Cl- + log_k +1.59 + delta_h +3.700 #kJ/mol +# Enthalpy of formation: -411.120 kJ/mol 98CHA + -analytic 22.38212E-1 00.00000E+0 -19.32645E+1 00.00000E+0 00.00000E+0 + -Vm 27.020 + +Halloysite +Al2Si2O5(OH)4 = +2.000Al+3 -6.000H+ +2.000H4(SiO4) +1.000H2O + log_k +10.32 + delta_h -192.418 #kJ/mol +# Enthalpy of formation: -4092.600 kJ/mol 99DEL/NAV + -analytic -23.39019E+0 00.00000E+0 10.05069E+3 00.00000E+0 00.00000E+0 + +Hausmannite +Mn3O4 = +3.000Mn+2 -8.000H+ -2.000e- +4.000H2O + log_k +61.32 #96FAL/REA + -analytic 61.32000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 HBeidellite-Ca -Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O - log_k 2.110 - delta_h -160.492 #kJ/mol - # Enthalpy of formation: -7056.996 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.6007E+1 0E+0 8.38307E+3 0E+0 0E+0 +Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O = +0.170Ca+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) +1.810H2O + log_k +2.09 + delta_h -160.492 #kJ/mol +# Enthalpy of formation: -7056.996 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -26.02699E+0 00.00000E+0 83.83081E+2 00.00000E+0 00.00000E+0 + -Vm 214.550 HBeidellite-K -K0.34Al2.34Si3.66O10(OH)2:1.96H2O = 0.340K+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O - log_k 2.240 - delta_h -167.142 #kJ/mol - # Enthalpy of formation: -6332.047 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.7042E+1 0E+0 8.73042E+3 0E+0 0E+0 +K0.34Al2.34Si3.66O10(OH)2:1.96H2O = +0.340K+ +2.340Al+3 -7.360H+ +3.660H4(SiO4) -0.680H2O + log_k +2.22 + delta_h -167.142 #kJ/mol +# Enthalpy of formation: -6332.047 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -27.06202E+0 00.00000E+0 87.30435E+2 00.00000E+0 00.00000E+0 + -Vm 168.650 HBeidellite-Mg -Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O = 0.170Mg+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O - log_k 2.240 - delta_h -159.892 #kJ/mol - # Enthalpy of formation: -7090.409 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.57718E+1 0E+0 8.35173E+3 0E+0 0E+0 +Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O = +0.170Mg+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) +1.970H2O + log_k +2.21 + delta_h -159.892 #kJ/mol +# Enthalpy of formation: -7090.409 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -25.80188E+0 00.00000E+0 83.51741E+2 00.00000E+0 00.00000E+0 + -Vm 212.610 HBeidellite-Na -Na0.34Al2.34Si3.66O10(OH)2:3.84H2O = 0.340Na+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O - log_k 1.860 - delta_h -171.523 #kJ/mol - # Enthalpy of formation: -6861.015 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.81895E+1 0E+0 8.95926E+3 0E+0 0E+0 +Na0.34Al2.34Si3.66O10(OH)2:3.84H2O = +0.340Na+ +2.340Al+3 -7.360H+ +3.660H4(SiO4) +1.200H2O + log_k +1.83 + delta_h -171.523 #kJ/mol +# Enthalpy of formation: -6861.015 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -28.21954E+0 00.00000E+0 89.59270E+2 00.00000E+0 00.00000E+0 + -Vm 201.940 + +Heazlewoodite +Ni3S2 = +3.000Ni+2 -2.000H+ +2.000e- +2.000HS- + log_k -17.23 + delta_h +19.564 #kJ/mol +# Enthalpy of formation: -217.200 kJ/mol 05GAM/BUG + -analytic -13.80253E+0 00.00000E+0 -10.21899E+2 00.00000E+0 00.00000E+0 + +Hematite(cr) +Fe2O3 = +2.000Fe+3 -6.000H+ +3.000H2O + log_k -0.83 #21RIB/BEG from 05GRI + delta_h -127.150 #kJ/mol +# Enthalpy of formation: -830.451 kJ/mol + -analytic -23.10572E+0 00.00000E+0 66.41507E+2 00.00000E+0 00.00000E+0 + +Hematite(s) +Fe2O3 = +2.000Fe+3 -6.000H+ +3.000H2O + log_k -0.10 + delta_h -131.312 #kJ/mol +# Enthalpy of formation: -826.290 kJ/mol 13LEM/BER + -analytic -23.10487E+0 00.00000E+0 68.58903E+2 00.00000E+0 00.00000E+0 + -Vm 30.270 + +Hemicarboaluminate +Ca6O6:Al4O6:CaCO3:Ca(OH)2:21H2O = +8.000Ca+2 +4.000Al+3 -26.000H+ +1.000CO3-2 +35.000H2O + log_k +173.20 #07MAT/LOT1 + delta_h -1189.079 #kJ/mol +# Enthalpy of formation: -15987.789kJ/mol + -analytic -35.11770E+0 00.00000E+0 62.10992E+3 00.00000E+0 00.00000E+0 + -Vm 569.020 + +Herzenbergite +SnS = +1.000Sn+2 -1.000H+ +1.000HS- + log_k -16.21 + delta_h +83.683 #kJ/mol +# Enthalpy of formation: -109.600 kJ/mol 12GAM/GAJ + -analytic -15.49368E-1 00.00000E+0 -43.71068E+2 00.00000E+0 00.00000E+0 + +Heulandite_Ca +Ca1.07Al2.14Si6.86O18:6.17H2O = +1.070Ca+2 +2.140Al+3 -8.560H+ +6.860H4(SiO4) -3.270H2O + log_k +2.46 #09BLA + delta_h -155.113 #kJ/mol +# Enthalpy of formation: -10667.200kJ/mol 09BLA + -analytic -24.71463E+0 00.00000E+0 81.02116E+2 00.00000E+0 00.00000E+0 + -Vm 322.060 + +Heulandite_Na +Na2.14Al2.14Si6.86O18:6.17H2O = +2.140Na+ +2.140Al+3 -8.560H+ +6.860H4(SiO4) -3.270H2O + log_k +2.80 #09BLA + delta_h -142.780 #kJ/mol +# Enthalpy of formation: -10612.850kJ/mol 09BLA + -analytic -22.21398E+0 00.00000E+0 74.57919E+2 00.00000E+0 00.00000E+0 + -Vm 325.000 + +Hexahydrite +Mg(SO4):6H2O = +1.000Mg+2 +1.000SO4-2 +6.000H2O + log_k -1.64 #84HAR/MOL + delta_h -4.625 #kJ/mol +# Enthalpy of formation: -3086.692 kJ/mol + -analytic -24.50265E-1 00.00000E+0 24.15806E+1 00.00000E+0 00.00000E+0 + +Hf(cr) +Hf = +4.000e- +1.000Hf+4 + log_k +97.20 + delta_h -628.910 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 79ROB/HEM + -analytic -12.98030E+0 00.00000E+0 32.85026E+3 00.00000E+0 00.00000E+0 + +Hf(HPO4)2:H2O(s) +Hf(HPO4)2:H2O = -2.000H+ +2.000H2(PO4)- +1.000Hf+4 +1.000H2O + log_k -21.05 #25HEV/KIM recalculated; Uncertainty is by analogy with Zr(HPO4)2:H2O(s) and is preliminary. + delta_h -38.340 #kJ/mol +# Enthalpy of formation: -3481.600 kJ/mol 97KAR/CHE + -analytic -27.76688E+0 00.00000E+0 20.02638E+2 00.00000E+0 00.00000E+0 + +HfO2(am) +HfO2 = -4.000H+ +1.000Hf+4 +2.000H2O + log_k +0.90 #01RAI/XIA + delta_h -98.870 #kJ/mol +# Enthalpy of formation: -1101.700 kJ/mol 98KAR/CHE + -analytic -16.42128E+0 00.00000E+0 51.64340E+2 00.00000E+0 00.00000E+0 + +HfO2(cr) +HfO2 = -4.000H+ +1.000Hf+4 +2.000H2O + log_k -5.62 + delta_h -82.940 #kJ/mol +# Enthalpy of formation: -1117.630 kJ/mol 75KOR/USH + -analytic -20.15046E+0 00.00000E+0 43.32258E+2 00.00000E+0 00.00000E+0 + +Hg(l) +Hg = +2.000e- +1.000Hg+2 + log_k +28.85 + delta_h -170.210 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -96.95120E-2 00.00000E+0 88.90687E+2 00.00000E+0 00.00000E+0 + +Hg2Cl2(s) +Hg2Cl2 = +2.000Cl- +1.000Hg2+2 + log_k -17.85 + delta_h +98.030 #kJ/mol +# Enthalpy of formation: -265.370 kJ/mol 89COX/WAG + -analytic -67.58812E-2 00.00000E+0 -51.20464E+2 00.00000E+0 00.00000E+0 + +Hg3(PO4)2(s) +Hg3(PO4)2 = -4.000H+ +2.000H2(PO4)- +3.000Hg+2 + log_k -13.01 #05POW/BRO + -analytic -13.01000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +HgCl2(s) +HgCl2 = +2.000Cl- +1.000Hg+2 + log_k -14.57 #74AND/CUM + -analytic -14.57000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +HgCO3:2HgO(s) +HgCO3:2HgO = -4.000H+ +1.000CO3-2 +2.000H2O +3.000Hg+2 + log_k -11.48 #05POW/BRO + -analytic -11.48000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +HgHPO4(s) +HgHPO4 = -1.000H+ +1.000H2(PO4)- +1.000Hg+2 + log_k -7.16 #05POW/BRO + -analytic -71.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +HgO(s) +HgO = -2.000H+ +1.000H2O +1.000Hg+2 + log_k +2.37 #05POW/BRO + delta_h -25.300 #kJ/mol 05POW/BRO +# Enthalpy of formation: -90.320 kJ/mol + -analytic -20.62370E-1 00.00000E+0 13.21511E+2 00.00000E+0 00.00000E+0 + +Hillebrandite +Ca2SiO3(OH)2:0.17H2O = +2.000Ca+2 -4.000H+ +1.000H4(SiO4) +1.170H2O + log_k +36.95 #10BLA/BOU1 + delta_h -219.135 #kJ/mol +# Enthalpy of formation: -2662.480 kJ/mol 56NEW + -analytic -14.40804E-1 00.00000E+0 11.44622E+3 00.00000E+0 00.00000E+0 + -Vm 72.580 HMontmorillonite-BCCa -Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O = 0.170Ca+2 + 0.340Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.450H2O - log_k 2.200 - delta_h -118.557 #kJ/mol - # Enthalpy of formation: -6999.676 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.85703E+1 0E+0 6.19265E+3 0E+0 0E+0 +Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O = +0.170Ca+2 +0.340Mg+2 +1.660Al+3 -6.000H+ +4.000H4(SiO4) +0.450H2O + log_k +2.18 + delta_h -118.558 #kJ/mol +# Enthalpy of formation: -6999.676 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -18.59047E+0 00.00000E+0 61.92716E+2 00.00000E+0 00.00000E+0 + -Vm 216.020 HMontmorillonite-BCK -K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O = 0.340Mg+2 + 0.340K+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 2.040H2O - log_k 2.090 - delta_h -123.828 #kJ/mol - # Enthalpy of formation: -6276.107 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.96037E+1 0E+0 6.46798E+3 0E+0 0E+0 +K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O = +0.340Mg+2 +0.340K+ +1.660Al+3 -6.000H+ +4.000H4(SiO4) -2.040H2O + log_k +2.07 + delta_h -123.827 #kJ/mol +# Enthalpy of formation: -6276.107 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -19.62356E+0 00.00000E+0 64.67935E+2 00.00000E+0 00.00000E+0 + -Vm 170.130 HMontmorillonite-BCMg -Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O = 0.510Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.610H2O - log_k 2.350 - delta_h -118.107 #kJ/mol - # Enthalpy of formation: -7032.939 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.83414E+1 0E+0 6.16915E+3 0E+0 0E+0 +Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O = +0.510Mg+2 +1.660Al+3 -6.000H+ +4.000H4(SiO4) +0.610H2O + log_k +2.33 + delta_h -118.107 #kJ/mol +# Enthalpy of formation: -7032.939 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -18.36146E+0 00.00000E+0 61.69158E+2 00.00000E+0 00.00000E+0 + -Vm 214.080 HMontmorillonite-BCNa -Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O = 0.340Mg+2 + 0.340Na+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 0.160H2O - log_k 1.790 - delta_h -128.688 #kJ/mol - # Enthalpy of formation: -6804.595 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.07551E+1 0E+0 6.72183E+3 0E+0 0E+0 +Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O = +0.340Mg+2 +0.340Na+ +1.660Al+3 -6.000H+ +4.000H4(SiO4) -0.160H2O + log_k +1.77 + delta_h -128.688 #kJ/mol +# Enthalpy of formation: -6804.595 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -20.77517E+0 00.00000E+0 67.21842E+2 00.00000E+0 00.00000E+0 + -Vm 203.420 HMontmorillonite-HCCa -Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O = 0.300Ca+2 + 0.600Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.450H2O - log_k 6.180 - delta_h -134.133 #kJ/mol - # Enthalpy of formation: -7036.126 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.73191E+1 0E+0 7.00624E+3 0E+0 0E+0 +Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O = +0.300Ca+2 +0.600Mg+2 +1.400Al+3 -6.000H+ +4.000H4(SiO4) +0.450H2O + log_k +6.15 + delta_h -134.134 #kJ/mol +# Enthalpy of formation: -7036.126 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -17.34927E+0 00.00000E+0 70.06307E+2 00.00000E+0 00.00000E+0 + -Vm 220.760 HMontmorillonite-HCK -K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O = 0.600Mg+2 + 0.600K+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 2.040H2O - log_k 4.260 - delta_h -119.730 #kJ/mol - # Enthalpy of formation: -6327.197 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.67158E+1 0E+0 6.25392E+3 0E+0 0E+0 +K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O = +0.600Mg+2 +0.600K+ +1.400Al+3 -6.000H+ +4.000H4(SiO4) -2.040H2O + log_k +4.24 + delta_h -119.730 #kJ/mol +# Enthalpy of formation: -6327.197 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -16.73580E+0 00.00000E+0 62.53933E+2 00.00000E+0 00.00000E+0 + -Vm 174.180 HMontmorillonite-HCMg -Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O = 0.900Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.610H2O - log_k 6.500 - delta_h -133.713 #kJ/mol - # Enthalpy of formation: -7059.479 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.69255E+1 0E+0 6.98431E+3 0E+0 0E+0 +Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O = +0.900Mg+2 +1.400Al+3 -6.000H+ +4.000H4(SiO4) +0.610H2O + log_k +6.47 + delta_h -133.713 #kJ/mol +# Enthalpy of formation: -7059.479 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -16.95551E+0 00.00000E+0 69.84316E+2 00.00000E+0 00.00000E+0 + -Vm 215.180 HMontmorillonite-HCNa -Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O = 0.600Mg+2 + 0.600Na+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 0.160H2O - log_k 4.560 - delta_h -132.493 #kJ/mol - # Enthalpy of formation: -6844.715 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.86517E+1 0E+0 6.92058E+3 0E+0 0E+0 +Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O = +0.600Mg+2 +0.600Na+ +1.400Al+3 -6.000H+ +4.000H4(SiO4) -0.160H2O + log_k +4.54 + delta_h -132.492 #kJ/mol +# Enthalpy of formation: -6844.715 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -18.67160E+0 00.00000E+0 69.20539E+2 00.00000E+0 00.00000E+0 + -Vm 206.920 HNontronite-Ca -Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O - log_k -2.830 - delta_h -109.854 #kJ/mol - # Enthalpy of formation: -6290.336 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.20756E+1 0E+0 5.73807E+3 0E+0 0E+0 +Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O = +0.170Ca+2 +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) +1.810H2O + log_k -2.89 + delta_h -111.618 #kJ/mol +# Enthalpy of formation: -6290.336 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -22.44463E+0 00.00000E+0 58.30214E+2 00.00000E+0 00.00000E+0 + -Vm 214.180 HNontronite-K -K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O = 0.340K+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O - log_k -2.700 - delta_h -116.514 #kJ/mol - # Enthalpy of formation: -5565.377 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.31123E+1 0E+0 6.08594E+3 0E+0 0E+0 +K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O = +0.340K+ +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) -0.680H2O + log_k +0.38 + delta_h -118.278 #kJ/mol +# Enthalpy of formation: -5565.377 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -20.34142E+0 00.00000E+0 61.78090E+2 00.00000E+0 00.00000E+0 + -Vm 168.280 HNontronite-Mg -Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O = 0.170Mg+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O - log_k -2.530 - delta_h -109.254 #kJ/mol - # Enthalpy of formation: -6323.749 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.16705E+1 0E+0 5.70673E+3 0E+0 0E+0 +Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O = +0.170Mg+2 +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) +1.970H2O + log_k -2.59 + delta_h -111.018 #kJ/mol +# Enthalpy of formation: -6323.749 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -22.03952E+0 00.00000E+0 57.98874E+2 00.00000E+0 00.00000E+0 + -Vm 212.670 HNontronite-Na -Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O = 0.340Na+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O - log_k -3.090 - delta_h -120.885 #kJ/mol - # Enthalpy of formation: -6094.355 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.42681E+1 0E+0 6.31425E+3 0E+0 0E+0 +Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O = +0.340Na+ +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) +1.200H2O + log_k -3.14 + delta_h -122.648 #kJ/mol +# Enthalpy of formation: -6094.355 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -24.62701E+0 00.00000E+0 64.06351E+2 00.00000E+0 00.00000E+0 + -Vm 201.570 + +Ho(cr) +Ho = +1.000Ho+3 +3.000e- + log_k +118.31 + delta_h -707.042 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 82WAG/EVA + -analytic -55.58441E-1 00.00000E+0 36.93138E+3 00.00000E+0 00.00000E+0 + +Ho(OH)3(am) +Ho(OH)3 = -3.000H+ +1.000Ho+3 +3.000H2O + log_k +17.48 #98DIA/RAG + -analytic 17.48000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Ho(OH)3(s) +Ho(OH)3 = -3.000H+ +1.000Ho+3 +3.000H2O + log_k +15.43 #98DIA/RAG + -analytic 15.43000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Ho(PO4):xH2O(s) +Ho(PO4) = -2.000H+ +1.000Ho+3 +1.000H2(PO4)- + log_k -4.64 #95SPA/BRU + -analytic -46.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Ho2(CO3)3(s) +Ho2(CO3)3 = +2.000Ho+3 +3.000CO3-2 + log_k -33.80 #95SPA/BRU + -analytic -33.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Ho2O3(s) +Ho2O3 = -6.000H+ +2.000Ho+3 +3.000H2O + log_k +47.41 + delta_h -390.706 #kJ/mol +# Enthalpy of formation: -1880.868 kJ/mol + -analytic -21.03875E+0 00.00000E+0 20.40800E+3 00.00000E+0 00.00000E+0 + +HoCl3:6H2O(s) +HoCl3:6H2O = +1.000Ho+3 +3.000Cl- +6.000H2O + log_k +5.39 #95SPA/BRU + delta_h -43.846 #kJ/mol +# Enthalpy of formation: -2879.413 kJ/mol + -analytic -22.91489E-1 00.00000E+0 22.90236E+2 00.00000E+0 00.00000E+0 + +HoF3:0.5H2O(s) +HoF3:0.5H2O = +1.000Ho+3 +3.000F- +0.500H2O + log_k -16.40 #95SPA/BRU + delta_h -149.007 #kJ/mol +# Enthalpy of formation: -1707.000 kJ/mol 82WAG/EVA + -analytic -42.50491E+0 00.00000E+0 77.83178E+2 00.00000E+0 00.00000E+0 + +HoPO4:H2O(cr) +HoPO4:H2O = -2.000H+ +1.000Ho+3 +1.000H2(PO4)- +1.000H2O + log_k -5.56 #97LIU/BYR + -analytic -55.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 HSaponite-Ca -Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 3.000Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O - log_k 28.390 - delta_h -239.662 #kJ/mol - # Enthalpy of formation: -7302.026 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.35969E+1 0E+0 1.25184E+4 0E+0 0E+0 +Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O = +0.170Ca+2 +3.000Mg+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +1.810H2O + log_k +28.36 + delta_h -239.662 #kJ/mol +# Enthalpy of formation: -7302.026 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -13.62698E+0 00.00000E+0 12.51842E+3 00.00000E+0 00.00000E+0 + -Vm 223.010 HSaponite-FeCa -Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 2.000Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O - log_k 27.980 - delta_h -235.552 #kJ/mol - # Enthalpy of formation: -6929.136 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.32869E+1 0E+0 1.23037E+4 0E+0 0E+0 +Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O = +0.170Ca+2 +2.000Mg+2 +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +1.810H2O + log_k +27.97 + delta_h -235.847 #kJ/mol +# Enthalpy of formation: -6929.136 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -13.34862E+0 00.00000E+0 12.31915E+3 00.00000E+0 00.00000E+0 + -Vm 225.590 HSaponite-FeK -K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O = 2.000Mg+2 + 0.340K+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O - log_k 28.110 - delta_h -242.212 #kJ/mol - # Enthalpy of formation: -6204.177 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.43237E+1 0E+0 1.26516E+4 0E+0 0E+0 +K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O = +2.000Mg+2 +0.340K+ +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -0.680H2O + log_k +28.11 + delta_h -242.507 #kJ/mol +# Enthalpy of formation: -6204.177 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -14.37540E+0 00.00000E+0 12.66702E+3 00.00000E+0 00.00000E+0 + -Vm 179.690 HSaponite-FeMg -Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O = 2.170Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O - log_k 28.070 - delta_h -234.962 #kJ/mol - # Enthalpy of formation: -6962.539 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.30935E+1 0E+0 1.22729E+4 0E+0 0E+0 +Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O = +2.170Mg+2 +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +1.970H2O + log_k +28.07 + delta_h -235.257 #kJ/mol +# Enthalpy of formation: -6962.539 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -13.14526E+0 00.00000E+0 12.28833E+3 00.00000E+0 00.00000E+0 + -Vm 223.850 HSaponite-FeNa -Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O = 2.000Mg+2 + 0.340Na+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O - log_k 27.720 - delta_h -246.583 #kJ/mol - # Enthalpy of formation: -6733.155 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.54794E+1 0E+0 1.28799E+4 0E+0 0E+0 +Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O = +2.000Mg+2 +0.340Na+ +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +1.200H2O + log_k +27.72 + delta_h -246.878 #kJ/mol +# Enthalpy of formation: -6733.155 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -15.53117E+0 00.00000E+0 12.89534E+3 00.00000E+0 00.00000E+0 + -Vm 212.990 HSaponite-K -K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O = 3.000Mg+2 + 0.340K+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O - log_k 28.520 - delta_h -246.322 #kJ/mol - # Enthalpy of formation: -6577.067 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.46337E+1 0E+0 1.28663E+4 0E+0 0E+0 +K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O = +3.000Mg+2 +0.340K+ +0.340Al+3 -7.360H+ +3.660H4(SiO4) -0.680H2O + log_k +28.49 + delta_h -246.322 #kJ/mol +# Enthalpy of formation: -6577.067 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -14.66376E+0 00.00000E+0 12.86629E+3 00.00000E+0 00.00000E+0 + -Vm 177.110 HSaponite-Mg -Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O = 3.170Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O - log_k 28.510 - delta_h -239.062 #kJ/mol - # Enthalpy of formation: -7335.439 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.33718E+1 0E+0 1.24871E+4 0E+0 0E+0 +Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O = +3.170Mg+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +1.970H2O + log_k +28.48 + delta_h -239.062 #kJ/mol +# Enthalpy of formation: -7335.439 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -13.40186E+0 00.00000E+0 12.48708E+3 00.00000E+0 00.00000E+0 + -Vm 221.080 HSaponite-Na -Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O = 3.000Mg+2 + 0.340Na+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O - log_k 28.130 - delta_h -250.693 #kJ/mol - # Enthalpy of formation: -7106.45 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.57895E+1 0E+0 1.30946E+4 0E+0 0E+0 +Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O = +3.000Mg+2 +0.340Na+ +0.340Al+3 -7.360H+ +3.660H4(SiO4) +1.200H2O + log_k +28.03 + delta_h -250.288 #kJ/mol +# Enthalpy of formation: -7106.450 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -15.81858E+0 00.00000E+0 13.07345E+3 00.00000E+0 00.00000E+0 + -Vm 210.400 HVermiculite-Ca -Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:4.45H2O = 0.430Ca+2 + 3.000Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 3.890H2O - log_k 97.850 - delta_h -683.046 #kJ/mol - # Enthalpy of formation: -7114.496 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.18143E+1 0E+0 3.56779E+4 0E+0 0E+0 +Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:4.45H2O = +0.430Ca+2 +3.000Mg+2 +0.860Al+3 -9.440H+ +3.140H4(SiO4) +3.890H2O + log_k +97.82 + delta_h -683.046 #kJ/mol +# Enthalpy of formation: -7114.496 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -21.84452E+0 00.00000E+0 35.67798E+3 00.00000E+0 00.00000E+0 + -Vm 219.360 HVermiculite-K -K0.86Mg3.00Si3.14Al0.86O10(OH)2:1.96H2O = 3.000Mg+2 + 0.860K+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 1.400H2O - log_k 87.710 - delta_h -609.749 #kJ/mol - # Enthalpy of formation: -6459.427 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -1.91133E+1 0E+0 3.18494E+4 0E+0 0E+0 +K0.86Mg3.00Si3.14Al0.86O10(OH)2:1.96H2O = +3.000Mg+2 +0.860K+ +0.860Al+3 -9.440H+ +3.140H4(SiO4) +1.400H2O + log_k +87.68 + delta_h -609.749 #kJ/mol +# Enthalpy of formation: -6459.427 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -19.14344E+0 00.00000E+0 31.84941E+3 00.00000E+0 00.00000E+0 + -Vm 175.490 HVermiculite-Mg -Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:4.61H2O = 3.430Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 4.050H2O - log_k 68.210 - delta_h -523.376 #kJ/mol - # Enthalpy of formation: -7287.219 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.34814E+1 0E+0 2.73378E+4 0E+0 0E+0 +Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:4.61H2O = +3.430Mg+2 +0.860Al+3 -9.440H+ +3.140H4(SiO4) +4.050H2O + log_k +68.18 + delta_h -523.376 #kJ/mol +# Enthalpy of formation: -7287.219 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -23.51154E+0 00.00000E+0 27.33783E+3 00.00000E+0 00.00000E+0 + -Vm 222.240 HVermiculite-Na -Na0.86Mg3.00Si3.14Al0.86O10(OH)2:3.84H2O = 3.000Mg+2 + 0.860Na+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 3.280H2O - log_k 96.550 - delta_h -673.353 #kJ/mol - # Enthalpy of formation: -6923.035 #kJ/mol #13BLA/VI; 11VIE/BLA - -analytic -2.14162E+1 0E+0 3.51716E+4 0E+0 0E+0 - -Halite -NaCl = 1.000Na+ + 1.000Cl- - log_k 1.590 - delta_h 3.700 #kJ/mol - # Enthalpy of formation: -411.12 #kJ/mol #98CHA - -analytic 2.23821E+0 0E+0 -1.93264E+2 0E+0 0E+0 - -Halloysite -Al2Si2O5(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O - log_k 10.320 - delta_h -192.418 #kJ/mol - # Enthalpy of formation: -4092.6 #kJ/mol #99DEL/NAV - -analytic -2.33901E+1 0E+0 1.00507E+4 0E+0 0E+0 - -Hausmannite -Mn3O4 = 3.000Mn+2 - 6.000H+ + 3.000H2O + 0.500O2 - log_k 18.330 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.833E+1 0E+0 0E+0 0E+0 0E+0 - -Heazlewoodite -Ni3S2 = 3.000Ni+2 - 4.000H+ + 2.000HS- + 1.000H2O - 0.500O2 - log_k 25.760 - delta_h -260.199 #kJ/mol - # Enthalpy of formation: -217.2 #kJ/mol #05GAM/BUG - -analytic -1.98248E+1 0E+0 1.35911E+4 0E+0 0E+0 - -Hematite -Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O - log_k -1.020 #05GRI - delta_h -123.679 #kJ/mol - # Enthalpy of formation: -831.811 #kJ/mol - -analytic -2.26876E+1 0E+0 6.46019E+3 0E+0 0E+0 - -Hemicarboaluminate -Ca6O6:Al4O6:CaCO3:Ca(OH)2:21H2O = 8.000Ca+2 + 4.000Al+3 - 26.000H+ + 1.000CO3-2 + 35.000H2O - log_k 173.200 #07MAT/LOT1 - delta_h -1188.595 #kJ/mol - # Enthalpy of formation: -15988.285 #kJ/mol - -analytic -3.50326E+1 0E+0 6.20845E+4 0E+0 0E+0 - -Herzenbergite -SnS = 1.000Sn+2 - 1.000H+ + 1.000HS- - log_k -16.210 - delta_h 83.683 #kJ/mol - # Enthalpy of formation: -109.6 #kJ/mol #12GAM/GAJ - -analytic -1.54939E+0 0E+0 -4.37106E+3 0E+0 0E+0 - -Heulandite_Ca -Ca1.07Al2.14Si6.86O18:6.17H2O = 1.070Ca+2 + 2.140Al+3 - 8.560H+ + 6.860H4(SiO4) - 3.270H2O - log_k 2.460 #09BLA - delta_h -155.113 #kJ/mol - # Enthalpy of formation: -10667.2 #kJ/mol #09BLA - -analytic -2.47146E+1 0E+0 8.1021E+3 0E+0 0E+0 - -Heulandite_Na -Na2.14Al2.14Si6.86O18:6.17H2O = 2.140Na+ + 2.140Al+3 - 8.560H+ + 6.860H4(SiO4) - 3.270H2O - log_k 2.800 #09BLA - delta_h -142.780 #kJ/mol - # Enthalpy of formation: -10612.85 #kJ/mol #09BLA - -analytic -2.22139E+1 0E+0 7.45791E+3 0E+0 0E+0 - -Hexahydrite -Mg(SO4):6H2O = 1.000Mg+2 + 1.000SO4-2 + 6.000H2O - log_k -1.640 #84HAR/MOL - delta_h -4.625 #kJ/mol - # Enthalpy of formation: -3086.695 #kJ/mol - -analytic -2.45026E+0 0E+0 2.4158E+2 0E+0 0E+0 - -Hf(HPO4)2:H2O(s) -Hf(HPO4)2:H2O = - 2.000H+ + 2.000H2(PO4)- + 1.000Hf+4 + 1.000H2O - log_k -21.050 #25HEV/KIM recalculated - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -3481.6 #kJ/mol #97KAR/CHE - -analytic -2.105E+1 0E+0 0E+0 0E+0 0E+0 - -#Hf(cr) -#Hf = 1.000Hf+4 + 2.000H2O - 4.000H+ - 1.000O2 - # log_k - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol - # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -HfO2(am) -HfO2 = - 4.000H+ + 1.000Hf+4 + 2.000H2O - log_k 0.900 #01RAI/XIA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1101.7 #kJ/mol #98KAR/CHE - -analytic 9E-1 0E+0 0E+0 0E+0 0E+0 - -HfO2(cr) -HfO2 = - 4.000H+ + 1.000Hf+4 + 2.000H2O - log_k -5.600 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1117.63 #kJ/mol #75KOR/USH - -analytic -5.6E+0 0E+0 0E+0 0E+0 0E+0 - -Hg2SeO3(s) -Hg2SeO3 = 1.000SeO3-2 + 1.000Hg2+2 - log_k -15.200 #05OLI/NOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.52E+1 0E+0 0E+0 0E+0 0E+0 - -HgSeO3(s) -HgSeO3 = 1.000Hg+2 + 1.000SeO3-2 - log_k -16.200 #05OLI/NOL - delta_h 36.650 #kJ/mol - # Enthalpy of formation: -373.6 #kJ/mol #05OLI/NOL - -analytic -9.77921E+0 0E+0 -1.91436E+3 0E+0 0E+0 - -Hillebrandite -Ca2SiO3(OH)2:0.17H2O = 2.000Ca+2 - 4.000H+ + 1.000H4(SiO4) + 1.170H2O - log_k 36.950 #10BLA/BOU1 - delta_h -219.135 #kJ/mol - # Enthalpy of formation: -2662.48 #kJ/mol #56NEW - -analytic -1.44075E+0 0E+0 1.14462E+4 0E+0 0E+0 - -Ho(OH)3(am) -Ho(OH)3 = - 3.000H+ + 1.000Ho+3 + 3.000H2O - log_k 17.480 #98DIA/RAG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.748E+1 0E+0 0E+0 0E+0 0E+0 - -Ho(OH)3(s) -Ho(OH)3 = - 3.000H+ + 1.000Ho+3 + 3.000H2O - log_k 15.430 #98DIA/RAG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.543E+1 0E+0 0E+0 0E+0 0E+0 - -Ho(PO4):xH2O(s) -Ho(PO4) = - 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)- - log_k -4.640 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.64E+0 0E+0 0E+0 0E+0 0E+0 - -Ho(cr) -Ho = 1.000Ho+3 + 1.500H2O - 3.000H+ - 0.750O2 - log_k 182.795 - delta_h -1126.687 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA - -analytic -1.45917E+1 0E+0 5.88508E+4 0E+0 0E+0 - -Ho2(CO3)3(cr) -Ho2(CO3)3 = 2.000Ho+3 + 3.000CO3-2 - log_k -33.800 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.38E+1 0E+0 0E+0 0E+0 0E+0 - -Ho2O3(s) -Ho2O3 = - 6.000H+ + 2.000Ho+3 + 3.000H2O - log_k 47.410 - delta_h -390.718 #kJ/mol - # Enthalpy of formation: -1880.856 #kJ/mol - -analytic -2.10408E+1 0E+0 2.04086E+4 0E+0 0E+0 - -HoCl3:6H2O(s) -HoCl3:6H2O = 1.000Ho+3 + 3.000Cl- + 6.000H2O - log_k 5.390 #95SPA/BRU - delta_h -43.855 #kJ/mol - # Enthalpy of formation: -2879.407 #kJ/mol - -analytic -2.29305E+0 0E+0 2.2907E+3 0E+0 0E+0 - -HoF3:0.5H2O(s) -HoF3:0.5H2O = 1.000Ho+3 + 3.000F- + 0.500H2O - log_k -16.400 #95SPA/BRU - delta_h -149.007 #kJ/mol - # Enthalpy of formation: -1707 #kJ/mol #82WAG/EVA - -analytic -4.25049E+1 0E+0 7.78317E+3 0E+0 0E+0 - -HoPO4:H2O(cr) -HoPO4:H2O = - 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)- + 1.000H2O - log_k -5.560 #97LIU/BYR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.56E+0 0E+0 0E+0 0E+0 0E+0 +Na0.86Mg3.00Si3.14Al0.86O10(OH)2:3.84H2O = +3.000Mg+2 +0.860Na+ +0.860Al+3 -9.440H+ +3.140H4(SiO4) +3.280H2O + log_k +96.52 + delta_h -673.353 #kJ/mol +# Enthalpy of formation: -6923.035 kJ/mol 13BLA/VI; 11VIE/BLA + -analytic -21.44638E+0 00.00000E+0 35.17168E+3 00.00000E+0 00.00000E+0 + -Vm 210.120 Hydrocerussite -Pb3(CO3)2(OH)2 = 3.000Pb+2 - 2.000H+ + 2.000CO3-2 + 2.000H2O - log_k -17.910 - delta_h -5.160 #kJ/mol - # Enthalpy of formation: -1914.2 #kJ/mol #83SAN/BAR - -analytic -1.8814E+1 0E+0 2.69525E+2 0E+0 0E+0 +Pb3(CO3)2(OH)2 = +3.000Pb+2 -2.000H+ +2.000CO3-2 +2.000H2O + log_k -17.91 + delta_h -5.160 #kJ/mol +# Enthalpy of formation: -1914.200 kJ/mol 83SAN/BAR + -analytic -18.81399E+0 00.00000E+0 26.95256E+1 00.00000E+0 00.00000E+0 Hydrophilite -CaCl2 = 1.000Ca+2 + 2.000Cl- - log_k 11.770 - delta_h -81.360 #kJ/mol - # Enthalpy of formation: -795.8 #kJ/mol #98CHA - -analytic -2.48364E+0 0E+0 4.24972E+3 0E+0 0E+0 +CaCl2 = +1.000Ca+2 +2.000Cl- + log_k +11.77 + delta_h -81.360 #kJ/mol +# Enthalpy of formation: -795.800 kJ/mol 98CHA + -analytic -24.83660E-1 00.00000E+0 42.49729E+2 00.00000E+0 00.00000E+0 Hydrotalcite -Mg4Al2(OH)14:3H2O = 4.000Mg+2 + 2.000Al+3 - 14.000H+ + 17.000H2O - log_k 73.740 #92ATK/GLA - delta_h -583.985 #kJ/mol - # Enthalpy of formation: -7219.925 #kJ/mol - -analytic -2.85696E+1 0E+0 3.05036E+4 0E+0 0E+0 +Mg4Al2(OH)14:3H2O = +4.000Mg+2 +2.000Al+3 -14.000H+ +17.000H2O + log_k +73.74 #92ATK/GLA + delta_h -584.220 #kJ/mol +# Enthalpy of formation: -7219.684 kJ/mol + -analytic -28.61095E+0 00.00000E+0 30.51594E+3 00.00000E+0 00.00000E+0 + -Vm 227.360 Hydrotalcite-CO3 -Mg4Al2(OH)12CO3:2H2O = 4.000Mg+2 + 2.000Al+3 - 12.000H+ + 1.000CO3-2 + 14.000H2O - log_k 50.860 #03JOH/GLA - delta_h -542.565 #kJ/mol - # Enthalpy of formation: -7079.085 #kJ/mol - -analytic -4.41932E+1 0E+0 2.83401E+4 0E+0 0E+0 +Mg4Al2(OH)12CO3:2H2O = +4.000Mg+2 +2.000Al+3 -12.000H+ +1.000CO3-2 +14.000H2O + log_k +50.86 #03JOH/GLA + delta_h -542.756 #kJ/mol +# Enthalpy of formation: -7078.889 kJ/mol + -analytic -44.22677E+0 00.00000E+0 28.35012E+3 00.00000E+0 00.00000E+0 + -Vm 231.460 Hydroxyapatite -Ca5(OH)(PO4)3 = 5.000Ca+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O - log_k 14.350 #84NAN - delta_h -178.487 #kJ/mol - # Enthalpy of formation: -6730.143 #kJ/mol - -analytic -1.69195E+1 0E+0 9.32301E+3 0E+0 0E+0 +Ca5(OH)(PO4)3 = +5.000Ca+2 -7.000H+ +3.000H2(PO4)- +1.000H2O + log_k +14.35 #84NAN + delta_h -178.487 #kJ/mol +# Enthalpy of formation: -6730.141 kJ/mol + -analytic -16.91958E+0 00.00000E+0 93.23025E+2 00.00000E+0 00.00000E+0 + -Vm 159.600 + +I2(cr) +I2 = -2.000e- +2.000I- + log_k +18.12 + delta_h -113.560 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -17.74858E-1 00.00000E+0 59.31652E+2 00.00000E+0 00.00000E+0 + +Illite/smectite ISCz-1 +(Ca0.092K0.439)(Si3.559Al0.441)(Al1.728Fe0.011Fe0.034Mg0.255)O10(OH)2 = +0.092Ca+2 +0.255Mg+2 +0.439K+ +0.034Fe+3 +0.011Fe+2 +2.169Al+3 -7.764H+ +3.559H4(SiO4) -2.236H2O + log_k +10.89 + delta_h -224.089 #kJ/mol +# Enthalpy of formation: -5787.400 kJ/mol 14BLA/GAI + -analytic -28.36871E+0 00.00000E+0 11.70498E+3 00.00000E+0 00.00000E+0 + -Vm 137.130 + +Illite_Imt-2 +(Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2 = +0.241Mg+2 +0.762K+ +0.044Na+ +0.292Fe+3 +0.084Fe+2 +2.040Al+3 -8.452H+ +3.387H4(SiO4) -1.548H2O + log_k +11.52 + delta_h -231.139 #kJ/mol +# Enthalpy of formation: -5711.250 kJ/mol 12GAI/BLA + -analytic -28.97381E+0 00.00000E+0 12.07323E+3 00.00000E+0 00.00000E+0 + -Vm 139.180 Illite-Al -K0.85Al2.85Si3.15O10(OH)2 = 0.850K+ + 2.850Al+3 - 9.400H+ + 3.150H4(SiO4) - 0.600H2O - log_k 13.020 - delta_h -266.372 #kJ/mol - # Enthalpy of formation: -5913.65 #kJ/mol #15BLA/VIE - -analytic -3.36463E+1 0E+0 1.39136E+4 0E+0 0E+0 +K0.85Al2.85Si3.15O10(OH)2 = +0.850K+ +2.850Al+3 -9.400H+ +3.150H4(SiO4) -0.600H2O + log_k +13.02 + delta_h -266.372 #kJ/mol +# Enthalpy of formation: -5913.650 kJ/mol 15BLA/VIE + -analytic -33.64637E+0 00.00000E+0 13.91358E+3 00.00000E+0 00.00000E+0 + -Vm 138.980 Illite-FeII -K0.85Fe0.25Al2.35Si3.4O10(OH)2 = 0.850K+ + 0.250Fe+2 + 2.350Al+3 - 8.400H+ + 3.400H4(SiO4) - 1.600H2O - log_k 9.450 - delta_h -216.501 #kJ/mol - # Enthalpy of formation: -5796.29 #kJ/mol #15BLA/VIE - -analytic -2.84793E+1 0E+0 1.13086E+4 0E+0 0E+0 +K0.85Fe0.25Al2.35Si3.4O10(OH)2 = +0.850K+ +0.250Fe+2 +2.350Al+3 -8.400H+ +3.400H4(SiO4) -1.600H2O + log_k +9.46 + delta_h -216.574 #kJ/mol +# Enthalpy of formation: -5796.290 kJ/mol 15BLA/VIE + -analytic -28.48214E+0 00.00000E+0 11.31245E+3 00.00000E+0 00.00000E+0 + -Vm 140.670 + +Illite-FeIII +K0.85Fe0.25Al2.6Si3.15O10(OH)2 = +0.850K+ +0.250Fe+3 +2.600Al+3 -9.400H+ +3.150H4(SiO4) -0.600H2O + log_k +12.36 + delta_h -262.546 #kJ/mol +# Enthalpy of formation: -5795.390 kJ/mol 15BLA/VIE + -analytic -33.63608E+0 00.00000E+0 13.71373E+3 00.00000E+0 00.00000E+0 + -Vm 138.920 Illite-Mg -K0.85Mg0.25Al2.35Si3.4O10(OH)2 = 0.250Mg+2 + 0.850K+ + 2.350Al+3 - 8.400H+ + 3.400H4(SiO4) - 1.600H2O - log_k 11.010 - delta_h -225.651 #kJ/mol - # Enthalpy of formation: -5881.39 #kJ/mol #15BLA/VIE - -analytic -2.85223E+1 0E+0 1.17866E+4 0E+0 0E+0 +K0.85Mg0.25Al2.35Si3.4O10(OH)2 = +0.250Mg+2 +0.850K+ +2.350Al+3 -8.400H+ +3.400H4(SiO4) -1.600H2O + log_k +11.01 + delta_h -225.651 #kJ/mol +# Enthalpy of formation: -5881.390 kJ/mol 15BLA/VIE + -analytic -28.52236E+0 00.00000E+0 11.78657E+3 00.00000E+0 00.00000E+0 + -Vm 140.060 Illite-Smec_ISCz-1(2.996H2O) -(Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.996H2O = 0.218Mg+2 + 0.530K+ + 0.134Na+ + 0.050Fe+3 + 0.017Fe+2 + 2.152Al+3 - 7.740H+ + 3.565H4(SiO4) + 0.736H2O - log_k 13.650 - delta_h -225.171 #kJ/mol - # Enthalpy of formation: -6624.62 #kJ/mol #09GAI - -analytic -2.57982E+1 0E+0 1.17615E+4 0E+0 0E+0 - -Illite/smectiteISCz-1 -(Ca0.092K0.439)(Si3.559Al0.441)(Al1.728Fe0.011Fe0.034Mg0.255)O10(OH)2 = 0.092Ca+2 + 0.255Mg+2 + 0.439K+ + 0.034Fe+3 + 0.011Fe+2 + 2.169Al+3 - 7.764H+ + 3.559H4(SiO4) - 2.236H2O - log_k 10.900 - delta_h -224.050 #kJ/mol - # Enthalpy of formation: -5787.4 #kJ/mol #14BLA/GAI - -analytic -2.83518E+1 0E+0 1.17029E+4 0E+0 0E+0 - -Illite_Imt-2 -(Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2 = 0.241Mg+2 + 0.762K+ + 0.044Na+ + 0.292Fe+3 + 0.084Fe+2 + 2.040Al+3 - 8.452H+ + 3.387H4(SiO4) - 1.548H2O - log_k 11.540 - delta_h -230.806 #kJ/mol - # Enthalpy of formation: -5711.25 #kJ/mol #12GAI/BLA - -analytic -2.88954E+1 0E+0 1.20558E+4 0E+0 0E+0 +(Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.996H2O = +0.218Mg+2 +0.530K+ +0.134Na+ +0.050Fe+3 +0.017Fe+2 +2.152Al+3 -7.740H+ +3.565H4(SiO4) +0.736H2O + log_k +13.61 + delta_h -225.228 #kJ/mol +# Enthalpy of formation: -6624.620 kJ/mol 09GAI + -analytic -25.84825E+0 00.00000E+0 11.76448E+3 00.00000E+0 00.00000E+0 + -Vm 192.420 Jaffeite -Ca6(Si2O7)(OH)6 = 6.000Ca+2 - 12.000H+ + 2.000H4(SiO4) + 5.000H2O - log_k 114.060 - delta_h -636.768 #kJ/mol - # Enthalpy of formation: -6972.77 #kJ/mol #10BLA/BOU1 - -analytic 2.5032E+0 0E+0 3.32607E+4 0E+0 0E+0 +Ca6(Si2O7)(OH)6 = +6.000Ca+2 -12.000H+ +2.000H4(SiO4) +5.000H2O + log_k +114.06 + delta_h -636.768 #kJ/mol +# Enthalpy of formation: -6972.770 kJ/mol 10BLA/BOU1 + -analytic 25.03035E-1 00.00000E+0 33.26071E+3 00.00000E+0 00.00000E+0 + -Vm 174.380 Jennite -Ca9Si6O16(OH)10:6(H2O) = 9.000Ca+2 - 18.000H+ + 6.000H4(SiO4) + 8.000H2O - log_k 147.330 #10BLA/BOU1 - delta_h -751.764 #kJ/mol - # Enthalpy of formation: -15189.04 #kJ/mol #10BLA/BOU1 - -analytic 1.56268E+1 0E+0 3.92673E+4 0E+0 0E+0 - -K(NO3)(s) -K(NO3) = 1.000K+ + 1.000NO3- - log_k -0.100 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1E-1 0E+0 0E+0 0E+0 0E+0 - -K(OH)(s) -K(OH) = 1.000K+ - 1.000H+ + 1.000H2O - log_k 24.600 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0 - -K(TcO4)(s) -K(TcO4) = 1.000K+ + 1.000TcO4- - log_k -2.280 - delta_h 53.560 #kJ/mol - # Enthalpy of formation: -1035.1 #kJ/mol #99RAR/RAN - -analytic 7.1033E+0 0E+0 -2.79763E+3 0E+0 0E+0 +Ca9Si6O16(OH)10:6H2O = +9.000Ca+2 -18.000H+ +6.000H4(SiO4) +8.000H2O + log_k +147.33 #10BLA/BOU1 + delta_h -751.764 #kJ/mol +# Enthalpy of formation: -15189.040kJ/mol 10BLA/BOU1 + -analytic 15.62660E+0 00.00000E+0 39.26737E+3 00.00000E+0 00.00000E+0 + -Vm 456.400 K(cr) -K = 1.000K+ + 0.500H2O - 1.000H+ - 0.250O2 - log_k 70.985 - delta_h -392.022 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic 2.30588E+0 0E+0 2.04767E+4 0E+0 0E+0 +K = +1.000K+ +1.000e- + log_k +49.49 + delta_h -252.140 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 53.16968E-1 00.00000E+0 13.17019E+3 00.00000E+0 00.00000E+0 -K-carbonate -K2CO3:1.5H2O = 2.000K+ + 1.000CO3-2 + 1.500H2O - log_k 3.030 #84HAR/MOL - delta_h -1.188 #kJ/mol - # Enthalpy of formation: -1607.067 #kJ/mol - -analytic 2.82187E+0 0E+0 6.20535E+1 0E+0 0E+0 +K(NO3)(s) +K(NO3) = +1.000K+ +1.000NO3- + log_k -0.10 #96FAL/REA + -analytic -10.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 -K-trona -K2NaH(CO3)2:2H2O = 2.000K+ + 1.000Na+ + 1.000H+ + 2.000CO3-2 + 2.000H2O - log_k -9.100 #84HAR/MOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -9.1E+0 0E+0 0E+0 0E+0 0E+0 +K(OH)(s) +K(OH) = +1.000K+ -1.000H+ +1.000H2O + log_k +24.60 #96FAL/REA + -analytic 24.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 K2CO3(cr) -K2CO3 = 2.000K+ + 1.000CO3-2 - log_k 5.410 - delta_h -31.798 #kJ/mol - # Enthalpy of formation: -1147.712 #kJ/mol - -analytic -1.60762E-1 0E+0 1.66092E+3 0E+0 0E+0 +K2CO3 = +2.000K+ +1.000CO3-2 + log_k +5.41 + delta_h -31.798 #kJ/mol 74NAU/RYZ +# Enthalpy of formation: -1147.712 kJ/mol + -analytic -16.07705E-2 00.00000E+0 16.60925E+2 00.00000E+0 00.00000E+0 K2O(s) -K2O = 2.000K+ - 2.000H+ + 1.000H2O - log_k 84.110 - delta_h -426.940 #kJ/mol - # Enthalpy of formation: -363.17 #kJ/mol #98CHA - -analytic 9.31343E+0 0E+0 2.23006E+4 0E+0 0E+0 - -K4NpO2(CO3)3(s) -K4NpO2(CO3)3 = 4.000K+ + 1.000NpO2+2 + 3.000CO3-2 - log_k -26.400 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.64E+1 0E+0 0E+0 0E+0 0E+0 +K2O = +2.000K+ -2.000H+ +1.000H2O + log_k +84.11 + delta_h -426.940 #kJ/mol +# Enthalpy of formation: -363.170 kJ/mol 98CHA + -analytic 93.13323E-1 00.00000E+0 22.30063E+3 00.00000E+0 00.00000E+0 + +K3NpO2(CO3)2(cr) +K3NpO2(CO3)2 = +3.000K+ +1.000NpO2+ +2.000CO3-2 + log_k -15.46 #03GUI/FAN + -analytic -15.46000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +K4NpO2(CO3)3(cr) +K4NpO2(CO3)3 = +4.000K+ +1.000NpO2+2 +3.000CO3-2 + log_k -26.93 #01LEM/FUG + -analytic -26.93000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Kainite +KMgCl(SO4):3H2O = +1.000Mg+2 +1.000K+ +1.000SO4-2 +1.000Cl- +3.000H2O + log_k -0.19 #84HAR/MOL + delta_h -12.950 #kJ/mol +# Enthalpy of formation: -2640.100 kJ/mol 82WAG/EVA + -analytic -24.58743E-1 00.00000E+0 67.64256E+1 00.00000E+0 00.00000E+0 + +KAl(OH)4 +KAl(OH)4 = +1.000K+ +1.000Al+3 -4.000H+ +4.000H2O + log_k +24.22 + delta_h -211.675 #kJ/mol +# Enthalpy of formation: -1722.185 kJ/mol 97POK/HEL2 + -analytic -12.86387E+0 00.00000E+0 11.05656E+3 00.00000E+0 00.00000E+0 KAl(SO4)2(s) -KAl(SO4)2 = 1.000K+ + 1.000Al+3 + 2.000SO4-2 - log_k 3.740 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.74E+0 0E+0 0E+0 0E+0 0E+0 +KAl(SO4)2 = +1.000K+ +1.000Al+3 +2.000SO4-2 + log_k +3.74 #96FAL/REA + -analytic 37.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 KAl(SO4)2:12H2O(s) -KAl(SO4)2:12H2O = 1.000K+ + 1.000Al+3 + 2.000SO4-2 + 12.000H2O - log_k -6.680 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.68E+0 0E+0 0E+0 0E+0 0E+0 +KAl(SO4)2:12H2O = +1.000K+ +1.000Al+3 +2.000SO4-2 +12.000H2O + log_k -6.68 #96FAL/REA + -analytic -66.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Kalicinite +KHCO3 = +1.000K+ +1.000H+ +1.000CO3-2 + log_k -10.06 #84HAR/MOL + delta_h +34.950 #kJ/mol +# Enthalpy of formation: -962.320 kJ/mol 74NAU/RYZ + -analytic -39.37023E-1 00.00000E+0 -18.25566E+2 00.00000E+0 00.00000E+0 + +Kaolinite +Al2(Si2O5)(OH)4 = +2.000Al+3 -6.000H+ +2.000H4(SiO4) +1.000H2O + log_k +6.50 + delta_h -169.718 #kJ/mol +# Enthalpy of formation: -4115.300 kJ/mol 01FIA/NAV + -analytic -23.23332E+0 00.00000E+0 88.64989E+2 00.00000E+0 00.00000E+0 + -Vm 99.340 + +Katoite +Ca3Al2(SiO4)(OH)8 = +3.000Ca+2 +2.000Al+3 -12.000H+ +1.000H4(SiO4) +8.000H2O + log_k +71.16 #10BLA/BOU2 + delta_h -545.767 #kJ/mol +# Enthalpy of formation: -5907.865 kJ/mol + -analytic -24.45427E+0 00.00000E+0 28.50740E+3 00.00000E+0 00.00000E+0 + -Vm 141.510 + +K-Boltwoodite +K(UO2)(SiO3OH):H2O = +1.000K+ +1.000UO2+2 -3.000H+ +1.000H4(SiO4) +1.000H2O + log_k +4.48 #20GRE/GAO + delta_h -27.146 #kJ/mol +# Enthalpy of formation: -2991.019 kJ/mol + -analytic -27.57751E-2 00.00000E+0 14.17934E+2 00.00000E+0 00.00000E+0 KBr(s) -KBr = 1.000K+ + 1.000Br- - log_k 1.130 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.13E+0 0E+0 0E+0 0E+0 0E+0 +KBr = +1.000K+ +1.000Br- + log_k +1.13 #96FAL/REA + -analytic 11.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +K-carbonate +K2CO3:1.5H2O = +2.000K+ +1.000CO3-2 +1.500H2O + log_k +3.03 #84HAR/MOL + delta_h -1.188 #kJ/mol +# Enthalpy of formation: -1607.068 kJ/mol + -analytic 28.21871E-1 00.00000E+0 62.05356E+0 00.00000E+0 00.00000E+0 KFe(CrO4)2:2H2O(s) -KFe(CrO4)2:2H2O = 1.000K+ + 1.000Fe+3 + 2.000CrO4-2 + 2.000H2O - log_k -19.390 #98BAR/PAL - delta_h 27.540 #kJ/mol #98BAR/PAL - # Enthalpy of formation: -2658.34 #kJ/mol - -analytic -1.45652E+1 0E+0 -1.43851E+3 0E+0 0E+0 +KFe(CrO4)2:2H2O = +1.000K+ +1.000Fe+3 +2.000CrO4-2 +2.000H2O + log_k -19.39 #98BAR/PAL + delta_h +27.540 #kJ/mol 98BAR/PAL +# Enthalpy of formation: -2659.396 kJ/mol + -analytic -14.56520E+0 00.00000E+0 -14.38514E+2 00.00000E+0 00.00000E+0 KFe3(CrO4)2(OH)6(cr) -KFe3(CrO4)2(OH)6 = 1.000K+ + 3.000Fe+3 - 6.000H+ + 2.000CrO4-2 + 6.000H2O - log_k -18.400 #96BAR/PAL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.84E+1 0E+0 0E+0 0E+0 0E+0 +KFe3(CrO4)2(OH)6 = +1.000K+ +3.000Fe+3 -6.000H+ +2.000CrO4-2 +6.000H2O + log_k -18.40 #96BAR/PAL + -analytic -18.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +KH2PO4 +KH2PO4 = +1.000K+ +1.000H2(PO4)- + log_k -0.44 #97MAR/SMI + -analytic -44.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 KH2PO4(cr) -KH2PO4 = 1.000K+ + 1.000H2(PO4)- - log_k -0.370 - delta_h 19.686 #kJ/mol #74NAU/RYZ - # Enthalpy of formation: -1574.426 #kJ/mol - -analytic 3.07883E+0 0E+0 -1.02827E+3 0E+0 0E+0 +KH2PO4 = +1.000K+ +1.000H2(PO4)- + log_k -0.37 + delta_h +19.686 #kJ/mol 74NAU/RYZ +# Enthalpy of formation: -1574.426 kJ/mol + -analytic 30.78839E-1 00.00000E+0 -10.28271E+2 00.00000E+0 00.00000E+0 KI(s) -KI = 1.000K+ + 1.000I- - log_k 1.740 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.74E+0 0E+0 0E+0 0E+0 0E+0 +KI = +1.000K+ +1.000I- + log_k +1.74 #96FAL/REA + -analytic 17.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +KNpO2CO3(cr) +KNpO2CO3 = +1.000K+ +1.000NpO2+ +1.000CO3-2 + log_k -13.15 #03GUI/FAN + -analytic -13.15000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +KTcO4(cr) +KTcO4 = +1.000K+ +1.000TcO4- + log_k -2.29 #99RAR/RAN + delta_h +53.260 #kJ/mol 99RAR/RAN +# Enthalpy of formation: -1034.800 kJ/mol + -analytic 70.40751E-1 00.00000E+0 -27.81964E+2 00.00000E+0 00.00000E+0 -Kainite -KMgCl(SO4):3H2O = 1.000Mg+2 + 1.000K+ + 1.000SO4-2 + 1.000Cl- + 3.000H2O - log_k -0.190 #84HAR/MOL - delta_h -12.950 #kJ/mol - # Enthalpy of formation: -2640.1 #kJ/mol #82WAG/EVA - -analytic -2.45874E+0 0E+0 6.76425E+2 0E+0 0E+0 - -Kalicinite -KHCO3 = 1.000K+ + 1.000H+ + 1.000CO3-2 - log_k -10.060 #84HAR/MOL - delta_h 34.950 #kJ/mol - # Enthalpy of formation: -962.32 #kJ/mol #74NAU/RYZ - -analytic -3.93703E+0 0E+0 -1.82556E+3 0E+0 0E+0 - -Kaolinite -Al2(Si2O5)(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O - log_k 6.510 - delta_h -169.718 #kJ/mol - # Enthalpy of formation: -4115.3 #kJ/mol #01FIA/NAV - -analytic -2.32233E+1 0E+0 8.86498E+3 0E+0 0E+0 - -Katoite -Ca3Al2(SiO4)(OH)8 = 3.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000H4(SiO4) + 8.000H2O - log_k 71.160 #10BLA/BOU2 - delta_h -545.657 #kJ/mol - # Enthalpy of formation: -5907.977 #kJ/mol - -analytic -2.44349E+1 0E+0 2.85016E+4 0E+0 0E+0 +K-trona +K2NaH(CO3)2:2H2O = +2.000K+ +1.000Na+ +1.000H+ +2.000CO3-2 +2.000H2O + log_k -9.10 #84HAR/MOL + -analytic -91.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Lanarkite -PbSO4:PbO = 2.000Pb+2 - 2.000H+ + 1.000SO4-2 + 1.000H2O - log_k 2.630 #82ABD/THO - delta_h -39.234 #kJ/mol - # Enthalpy of formation: -1154.096 #kJ/mol - -analytic -4.24349E+0 0E+0 2.04933E+3 0E+0 0E+0 +PbSO4:PbO = +2.000Pb+2 -2.000H+ +1.000SO4-2 +1.000H2O + log_k +2.63 #82ABD/THO + delta_h -39.234 #kJ/mol +# Enthalpy of formation: -1154.096 kJ/mol + -analytic -42.43502E-1 00.00000E+0 20.49335E+2 00.00000E+0 00.00000E+0 + +Langite +Cu4SO4(OH)6:H2O = +4.000Cu+2 -6.000H+ +1.000SO4-2 +7.000H2O + log_k +17.49 + delta_h -165.074 #kJ/mol +# Enthalpy of formation: -2485.474 kJ/mol + -analytic -11.42972E+0 00.00000E+0 86.22416E+2 00.00000E+0 00.00000E+0 Lansfordite -Mg(CO3):5H2O = 1.000Mg+2 + 1.000CO3-2 + 5.000H2O - log_k -5.040 - delta_h 2.890 #kJ/mol - # Enthalpy of formation: -2574.27 #kJ/mol #99KON/KON - -analytic -4.53369E+0 0E+0 -1.50955E+2 0E+0 0E+0 +Mg(CO3):5H2O = +1.000Mg+2 +1.000CO3-2 +5.000H2O + log_k -5.04 + delta_h +2.890 #kJ/mol +# Enthalpy of formation: -2574.270 kJ/mol 99KON/KON + -analytic -45.33694E-1 00.00000E+0 -15.09552E+1 00.00000E+0 00.00000E+0 Laumontite -CaAl2Si4O12:4H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4) - log_k 11.700 - delta_h -213.576 #kJ/mol - # Enthalpy of formation: -7251 #kJ/mol #96KIS/NAV - -analytic -2.57169E+1 0E+0 1.11558E+4 0E+0 0E+0 +CaAl2Si4O12:4H2O = +1.000Ca+2 +2.000Al+3 -8.000H+ +4.000H4(SiO4) + log_k +11.67 + delta_h -213.576 #kJ/mol +# Enthalpy of formation: -7251.000 kJ/mol 96KIS/NAV + -analytic -25.74691E+0 00.00000E+0 11.15585E+3 00.00000E+0 00.00000E+0 + -Vm 207.530 Laurionite -PbClOH = 1.000Pb+2 - 1.000H+ + 1.000Cl- + 1.000H2O - log_k 0.620 #99LOT/OCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.2E-1 0E+0 0E+0 0E+0 0E+0 +PbClOH = +1.000Pb+2 -1.000H+ +1.000Cl- +1.000H2O + log_k +0.62 #99LOT/OCH + -analytic 62.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Lawrencite -FeCl2 = 1.000Fe+2 + 2.000Cl- - log_k 8.890 - delta_h -82.460 #kJ/mol - # Enthalpy of formation: -341.7 #kJ/mol #95ROB/HEM - -analytic -5.55635E+0 0E+0 4.30718E+3 0E+0 0E+0 +FeCl2 = +1.000Fe+2 +2.000Cl- + log_k +8.93 + delta_h -82.921 #kJ/mol +# Enthalpy of formation: -341.534 kJ/mol 13LEM/BER + -analytic -55.97136E-1 00.00000E+0 43.31265E+2 00.00000E+0 00.00000E+0 Leonhardtite -MgSO4:4H2O = 1.000Mg+2 + 1.000SO4-2 + 4.000H2O - log_k -0.890 #80HAR/WEA - delta_h -24.030 #kJ/mol - # Enthalpy of formation: -2495.63 #kJ/mol #74NAU/RYZ - -analytic -5.09987E+0 0E+0 1.25517E+3 0E+0 0E+0 +MgSO4:4H2O = +1.000Mg+2 +1.000SO4-2 +4.000H2O + log_k -0.89 #80HAR/WEA + delta_h -24.030 #kJ/mol +# Enthalpy of formation: -2495.630 kJ/mol 74NAU/RYZ + -analytic -50.99875E-1 00.00000E+0 12.55174E+2 00.00000E+0 00.00000E+0 Leonite -K2Mg(SO4)2:4H2O = 1.000Mg+2 + 2.000K+ + 2.000SO4-2 + 4.000H2O - log_k -3.980 #84HAR/MOL - delta_h 15.290 #kJ/mol - # Enthalpy of formation: -3948.57 #kJ/mol #74NAU/RYZ - -analytic -1.30131E+0 0E+0 -7.98651E+2 0E+0 0E+0 +K2Mg(SO4)2:4H2O = +1.000Mg+2 +2.000K+ +2.000SO4-2 +4.000H2O + log_k -3.98 #84HAR/MOL + delta_h +15.290 #kJ/mol +# Enthalpy of formation: -3948.570 kJ/mol 74NAU/RYZ + -analytic -13.01307E-1 00.00000E+0 -79.86523E+1 00.00000E+0 00.00000E+0 Lepidocrocite -FeOOH = 1.000Fe+3 - 3.000H+ + 2.000H2O - log_k 0.750 #98DIA2 in 98CHI - delta_h -64.260 #kJ/mol - # Enthalpy of formation: -556.4 #kJ/mol - -analytic -1.05079E+1 0E+0 3.35653E+3 0E+0 0E+0 +FeOOH = +1.000Fe+3 -3.000H+ +2.000H2O + log_k +1.86 + delta_h -72.516 #kJ/mol +# Enthalpy of formation: -549.200 kJ/mol 13LEM/BER + -analytic -10.84426E+0 00.00000E+0 37.87774E+2 00.00000E+0 00.00000E+0 + +Li(cr) +Li = +1.000e- +1.000Li+ + log_k +51.32 + delta_h -278.470 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 25.34150E-1 00.00000E+0 14.54550E+3 00.00000E+0 00.00000E+0 + +Liebigite +Ca2UO2(CO3)3:10H2O = +2.000Ca+2 +1.000UO2+2 +3.000CO3-2 +10.000H2O + log_k -32.30 #19LEE/AMA + delta_h +55.710 #kJ/mol +# Enthalpy of formation: -7044.700 kJ/mol 20GRE/GAO + -analytic -22.54003E+0 00.00000E+0 -29.09936E+2 00.00000E+0 00.00000E+0 Linnaeite -Co3S4 = 3.000Co+2 - 2.000H+ + 4.000HS- - 1.000H2O + 0.500O2 - log_k -85.750 - delta_h 416.263 #kJ/mol - # Enthalpy of formation: -374.5 #kJ/mol #95ROB/HEM - -analytic -1.2824E+1 0E+0 -2.17429E+4 0E+0 0E+0 +Co3S4 = +3.000Co+2 -4.000H+ -2.000e- +4.000HS- + log_k -42.76 + delta_h +136.500 #kJ/mol +# Enthalpy of formation: -374.500 kJ/mol 95ROB/HEM + -analytic -18.84623E+0 00.00000E+0 -71.29892E+2 00.00000E+0 00.00000E+0 Litharge -PbO = 1.000Pb+2 - 2.000H+ + 1.000H2O - log_k 12.630 - delta_h -65.501 #kJ/mol - # Enthalpy of formation: -219.409 #kJ/mol #98CHA - -analytic 1.15473E+0 0E+0 3.42135E+3 0E+0 0E+0 +PbO = +1.000Pb+2 -2.000H+ +1.000H2O + log_k +12.63 + delta_h -65.501 #kJ/mol +# Enthalpy of formation: -219.409 kJ/mol 98CHA + -analytic 11.54717E-1 00.00000E+0 34.21356E+2 00.00000E+0 00.00000E+0 Lizardite -Mg3Si2O5(OH)4 = 3.000Mg+2 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O - log_k 33.100 - delta_h -247.218 #kJ/mol - # Enthalpy of formation: -4362 #kJ/mol #04EVA - -analytic -1.02107E+1 0E+0 1.29131E+4 0E+0 0E+0 +Mg3Si2O5(OH)4 = +3.000Mg+2 -6.000H+ +2.000H4(SiO4) +1.000H2O + log_k +33.08 + delta_h -247.218 #kJ/mol +# Enthalpy of formation: -4362.000 kJ/mol 04EVA + -analytic -10.23073E+0 00.00000E+0 12.91310E+3 00.00000E+0 00.00000E+0 + -Vm 107.500 Mackinawite -FeS = 1.000Fe+2 - 1.000H+ + 1.000HS- - log_k -3.600 #91DAV - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.6E+0 0E+0 0E+0 0E+0 0E+0 - -Maghemite(disord) -Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O - log_k 3.310 #98DIA1 in 98CHI - delta_h -149.690 #kJ/mol - # Enthalpy of formation: -805.8 #kJ/mol - -analytic -2.29145E+1 0E+0 7.81884E+3 0E+0 0E+0 - -Maghemite(ord) -Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O - log_k 3.520 #98DIA1 in 98CHI - delta_h -149.690 #kJ/mol - # Enthalpy of formation: -805.8 #kJ/mol - -analytic -2.27045E+1 0E+0 7.81884E+3 0E+0 0E+0 +FeS = +1.000Fe+2 -1.000H+ +1.000HS- + log_k -3.19 #20LEM/PAL + -analytic -31.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -Vm 20.450 + +Maghemite +Fe2O3 = +2.000Fe+3 -6.000H+ +3.000H2O + log_k +2.79 + delta_h -149.612 #kJ/mol +# Enthalpy of formation: -807.990 kJ/mol 13LEM/BER + -analytic -23.42090E+0 00.00000E+0 78.14779E+2 00.00000E+0 00.00000E+0 Magnesite(nat) -MgCO3 = 1.000Mg+2 + 1.000CO3-2 - log_k -8.910 - delta_h -24.290 #kJ/mol - # Enthalpy of formation: -1117.94 #kJ/mol #99KON/KON - -analytic -1.31654E+1 0E+0 1.26875E+3 0E+0 0E+0 +MgCO3 = +1.000Mg+2 +1.000CO3-2 + log_k -8.91 + delta_h -24.290 #kJ/mol +# Enthalpy of formation: -1117.940 kJ/mol 99KON/KON + -analytic -13.16543E+0 00.00000E+0 12.68755E+2 00.00000E+0 00.00000E+0 Magnesite(syn) -Mg(CO3) = 1.000Mg+2 + 1.000CO3-2 - log_k -8.100 - delta_h -28.930 #kJ/mol - # Enthalpy of formation: -1113.3 #kJ/mol #95ROB/HEM - -analytic -1.31683E+1 0E+0 1.51112E+3 0E+0 0E+0 +Mg(CO3) = +1.000Mg+2 +1.000CO3-2 + log_k -8.10 + delta_h -28.930 #kJ/mol +# Enthalpy of formation: -1113.300 kJ/mol 95ROB/HEM + -analytic -13.16832E+0 00.00000E+0 15.11119E+2 00.00000E+0 00.00000E+0 Magnetite -Fe3O4 = 2.000Fe+3 + 1.000Fe+2 - 8.000H+ + 4.000H2O - log_k 10.410 - delta_h -215.920 #kJ/mol - # Enthalpy of formation: -1115.4 #kJ/mol #88ONE - -analytic -2.74175E+1 0E+0 1.12783E+4 0E+0 0E+0 +Fe3O4 = +2.000Fe+3 +1.000Fe+2 -8.000H+ +4.000H2O + log_k +10.34 + delta_h -217.947 #kJ/mol +# Enthalpy of formation: -1115.780 kJ/mol 13LEM/BER + -analytic -27.84268E+0 00.00000E+0 11.38416E+3 00.00000E+0 00.00000E+0 + -Vm 44.520 + +Malachite +Cu2CO3(OH)2 = +2.000Cu+2 -2.000H+ +1.000CO3-2 +2.000H2O + log_k -5.18 #91BAL/NOR in 07POW/BRO + delta_h -51.649 #kJ/mol +# Enthalpy of formation: -1065.441 kJ/mol + -analytic -14.22852E+0 00.00000E+0 26.97815E+2 00.00000E+0 00.00000E+0 Manganite -MnOOH = 1.000Mn+2 - 2.000H+ + 1.500H2O + 0.250O2 - log_k 3.775 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.775E+0 0E+0 0E+0 0E+0 0E+0 +MnOOH = +1.000Mn+2 -3.000H+ -1.000e- +2.000H2O + log_k +25.27 #96FAL/REA + -analytic 25.27000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Margarite -CaAl4Si2O10(OH)2 = 1.000Ca+2 + 4.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O - log_k 37.000 - delta_h -518.308 #kJ/mol - # Enthalpy of formation: -6244 #kJ/mol #95ROB/HEM - -analytic -5.38035E+1 0E+0 2.70731E+4 0E+0 0E+0 +CaAl4Si2O10(OH)2 = +1.000Ca+2 +4.000Al+3 -14.000H+ +2.000H4(SiO4) +4.000H2O + log_k +36.99 + delta_h -518.308 #kJ/mol +# Enthalpy of formation: -6244.000 kJ/mol 95ROB/HEM + -analytic -53.81366E+0 00.00000E+0 27.07311E+3 00.00000E+0 00.00000E+0 + -Vm 129.630 Massicot -PbO = 1.000Pb+2 - 2.000H+ + 1.000H2O - log_k 12.740 - delta_h -66.848 #kJ/mol - # Enthalpy of formation: -218.062 #kJ/mol #98CHA - -analytic 1.02875E+0 0E+0 3.49171E+3 0E+0 0E+0 +PbO = +1.000Pb+2 -2.000H+ +1.000H2O + log_k +12.74 + delta_h -66.848 #kJ/mol +# Enthalpy of formation: -218.062 kJ/mol 98CHA + -analytic 10.28733E-1 00.00000E+0 34.91714E+2 00.00000E+0 00.00000E+0 Melanterite -FeSO4:7H2O = 1.000Fe+2 + 1.000SO4-2 + 7.000H2O - log_k -2.210 #90NOR/PLU - delta_h 20.543 #kJ/mol - # Enthalpy of formation: -3020.693 #kJ/mol - -analytic 1.38897E+0 0E+0 -1.07303E+3 0E+0 0E+0 +FeSO4:7H2O = +1.000Fe+2 +1.000SO4-2 +7.000H2O + log_k -2.28 + delta_h +12.067 #kJ/mol +# Enthalpy of formation: -3012.512 kJ/mol 13LEM/BER + -analytic -16.59523E-2 00.00000E+0 -63.03033E+1 00.00000E+0 00.00000E+0 Mercallite -KHSO4 = 1.000K+ + 1.000H+ + 1.000SO4-2 - log_k -1.400 #84HAR/MOL - delta_h -0.590 #kJ/mol - # Enthalpy of formation: -1160.89 #kJ/mol #74NAU/RYZ - -analytic -1.50336E+0 0E+0 3.08178E+1 0E+0 0E+0 +KHSO4 = +1.000K+ +1.000H+ +1.000SO4-2 + log_k -1.40 #84HAR/MOL + delta_h -0.590 #kJ/mol +# Enthalpy of formation: -1160.890 kJ/mol 74NAU/RYZ + -analytic -15.03364E-1 00.00000E+0 30.81785E+0 00.00000E+0 00.00000E+0 Merlinoite_K -K1.04Al1.04Si1.96O6:1.69H2O = 1.040K+ + 1.040Al+3 - 4.160H+ + 1.960H4(SiO4) - 0.150H2O - log_k 9.490 - delta_h -105.627 #kJ/mol - # Enthalpy of formation: -3537.6 #kJ/mol #09BLA - -analytic -9.01503E+0 0E+0 5.51727E+3 0E+0 0E+0 +K1.04Al1.04Si1.96O6:1.69H2O = +1.040K+ +1.040Al+3 -4.160H+ +1.960H4(SiO4) -0.150H2O + log_k +9.47 + delta_h -105.627 #kJ/mol +# Enthalpy of formation: -3537.600 kJ/mol 09BLA + -analytic -90.35056E-1 00.00000E+0 55.17282E+2 00.00000E+0 00.00000E+0 + -Vm 112.910 Merlinoite_Na -Na1.04Al1.04Si1.96O6:2.27H2O = 1.040Na+ + 1.040Al+3 - 4.160H+ + 1.960H4(SiO4) + 0.430H2O - log_k 10.300 - delta_h -115.307 #kJ/mol - # Enthalpy of formation: -3681.43 #kJ/mol #09BLA - -analytic -9.90089E+0 0E+0 6.0229E+3 0E+0 0E+0 +Na1.04Al1.04Si1.96O6:2.27H2O = +1.040Na+ +1.040Al+3 -4.160H+ +1.960H4(SiO4) +0.430H2O + log_k +10.29 + delta_h -115.307 #kJ/mol +# Enthalpy of formation: -3681.430 kJ/mol 09BLA + -analytic -99.10919E-1 00.00000E+0 60.22904E+2 00.00000E+0 00.00000E+0 + -Vm 114.040 + +Metacinnabar +HgS = -1.000H+ +1.000HS- +1.000Hg+2 + log_k -38.53 + delta_h +200.410 #kJ/mol +# Enthalpy of formation: -46.500 kJ/mol 95ROB/HEM + -analytic -34.19675E-1 00.00000E+0 -10.46814E+3 00.00000E+0 00.00000E+0 + +Metaschoepite +UO3:2H2O = +1.000UO2+2 -2.000H+ +3.000H2O + log_k +5.35 #20GRE/GAO + -analytic 53.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Mg(cr) +Mg = +1.000Mg+2 +2.000e- + log_k +79.78 + delta_h -467.000 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -20.34888E-1 00.00000E+0 24.39311E+3 00.00000E+0 00.00000E+0 Mg(HPO4):3H2O(s) -Mg(HPO4):3H2O = 1.000Mg+2 - 1.000H+ + 1.000H2(PO4)- + 3.000H2O - log_k 1.410 #01WEN/MUS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.41E+0 0E+0 0E+0 0E+0 0E+0 +Mg(HPO4):3H2O = +1.000Mg+2 -1.000H+ +1.000H2(PO4)- +3.000H2O + log_k +1.41 #01WEN/MUS + -analytic 14.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Mg(NO3)2(s) -Mg(NO3)2 = 1.000Mg+2 + 2.000NO3- - log_k 15.500 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.55E+1 0E+0 0E+0 0E+0 0E+0 +Mg(NO3)2 = +1.000Mg+2 +2.000NO3- + log_k +15.50 #96FAL/REA + -analytic 15.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Mg(NO3)2:6H2O(s) -Mg(NO3)2:6H2O = 1.000Mg+2 + 2.000NO3- + 6.000H2O - log_k 2.580 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.58E+0 0E+0 0E+0 0E+0 0E+0 - -Mg(SO4)(s) -Mg(SO4) = 1.000Mg+2 + 1.000SO4-2 - log_k 9.100 - delta_h -114.550 #kJ/mol - # Enthalpy of formation: -1261.79 #kJ/mol #98CHA - -analytic -1.09683E+1 0E+0 5.98335E+3 0E+0 0E+0 - -Mg(SO4):H2O(s) -Mg(SO4):H2O = 1.000Mg+2 + 1.000SO4-2 + 1.000H2O - log_k -0.120 #84HAR/MOL - delta_h -51.464 #kJ/mol - # Enthalpy of formation: -1610.706 #kJ/mol - -analytic -9.13609E+0 0E+0 2.68815E+3 0E+0 0E+0 +Mg(NO3)2:6H2O = +1.000Mg+2 +2.000NO3- +6.000H2O + log_k +2.58 #96FAL/REA + -analytic 25.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Mg(SeO3):6H2O(s) -Mg(SeO3):6H2O = 1.000Mg+2 + 1.000SeO3-2 + 6.000H2O - log_k -5.820 #05OLI/NOL - delta_h 18.070 #kJ/mol - # Enthalpy of formation: -2707.21 #kJ/mol #05OLI/NOL - -analytic -2.65428E+0 0E+0 -9.4386E+2 0E+0 0E+0 +Mg(SeO3):6H2O = +1.000Mg+2 +1.000SeO3-2 +6.000H2O + log_k -5.82 #05OLI/NOL + delta_h +18.070 #kJ/mol +# Enthalpy of formation: -2707.210 kJ/mol 05OLI/NOL + -analytic -26.54272E-1 00.00000E+0 -94.38618E+1 00.00000E+0 00.00000E+0 Mg(SeO4):6H2O(s) -Mg(SeO4):6H2O = 1.000Mg+2 + 1.000SeO4-2 + 6.000H2O - log_k -1.133 #05OLI/NOL - delta_h -4.080 #kJ/mol - # Enthalpy of formation: -2781.4 #kJ/mol #05OLI/NOL - -analytic -1.84778E+0 0E+0 2.13113E+2 0E+0 0E+0 +Mg(SeO4):6H2O = +1.000Mg+2 +1.000SeO4-2 +6.000H2O + log_k -1.13 #05OLI/NOL + delta_h -4.080 #kJ/mol +# Enthalpy of formation: -2781.400 kJ/mol 05OLI/NOL + -analytic -18.44785E-1 00.00000E+0 21.31132E+1 00.00000E+0 00.00000E+0 -Mg(cr) -Mg = 1.000Mg+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 122.770 - delta_h -746.763 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -8.05707E+0 0E+0 3.90061E+4 0E+0 0E+0 +Mg(SO4)(s) +Mg(SO4) = +1.000Mg+2 +1.000SO4-2 + log_k +9.10 + delta_h -114.550 #kJ/mol +# Enthalpy of formation: -1261.790 kJ/mol 98CHA + -analytic -10.96830E+0 00.00000E+0 59.83363E+2 00.00000E+0 00.00000E+0 -Mg-oxychlorur -Mg2Cl(OH)3:4H2O = 2.000Mg+2 - 3.000H+ + 1.000Cl- + 7.000H2O - log_k 26.030 #84HAR/MOL - delta_h -154.690 #kJ/mol - # Enthalpy of formation: -2947.2 #kJ/mol #82WAG/EVA - -analytic -1.07048E+0 0E+0 8.08001E+3 0E+0 0E+0 +Mg(SO4):H2O(s) +Mg(SO4):H2O = +1.000Mg+2 +1.000SO4-2 +1.000H2O + log_k -0.12 #84HAR/MOL + delta_h -51.464 #kJ/mol +# Enthalpy of formation: -1610.705 kJ/mol + -analytic -91.36106E-1 00.00000E+0 26.88152E+2 00.00000E+0 00.00000E+0 Mg3(PO4)2(cr) -Mg3(PO4)2 = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)- - log_k 15.820 #68RAC/SOP - delta_h -214.093 #kJ/mol - # Enthalpy of formation: -3792.107 #kJ/mol - -analytic -2.16874E+1 0E+0 1.11828E+4 0E+0 0E+0 +Mg3(PO4)2 = +3.000Mg+2 -4.000H+ +2.000H2(PO4)- + log_k +15.82 #68RAC/SOP + delta_h -214.093 #kJ/mol +# Enthalpy of formation: -3792.106 kJ/mol + -analytic -21.68748E+0 00.00000E+0 11.18286E+3 00.00000E+0 00.00000E+0 Mg3(PO4)2:22H2O(s) -Mg3(PO4)2:22H2O = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)- + 22.000H2O - log_k 16.000 #63TAY/FRA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0 +Mg3(PO4)2:22H2O = +3.000Mg+2 -4.000H+ +2.000H2(PO4)- +22.000H2O + log_k +16.00 #63TAY/FRA + -analytic 16.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Mg3(PO4)2:8H2O(s) -Mg3(PO4)2:8H2O = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)- + 8.000H2O - log_k 13.900 #63TAY/FRA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0 +Mg3(PO4)2:8H2O = +3.000Mg+2 -4.000H+ +2.000H2(PO4)- +8.000H2O + log_k +13.90 #63TAY/FRA + -analytic 13.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Mg5(CO3)4(OH)2:4H2O(s) -Mg5(CO3)4(OH)2:4H2O = 5.000Mg+2 - 2.000H+ + 4.000CO3-2 + 6.000H2O - log_k -10.310 - delta_h -234.900 #kJ/mol - # Enthalpy of formation: -6516 #kJ/mol #73ROB/HEM - -analytic -5.14627E+1 0E+0 1.22697E+4 0E+0 0E+0 +Mg5(CO3)4(OH)2:4H2O = +5.000Mg+2 -2.000H+ +4.000CO3-2 +6.000H2O + log_k -10.31 + delta_h -234.900 #kJ/mol +# Enthalpy of formation: -6516.000 kJ/mol 73ROB/HEM + -analytic -51.46271E+0 00.00000E+0 12.26968E+3 00.00000E+0 00.00000E+0 MgBr2(s) -MgBr2 = 1.000Mg+2 + 2.000Br- - log_k 27.800 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.78E+1 0E+0 0E+0 0E+0 0E+0 +MgBr2 = +1.000Mg+2 +2.000Br- + log_k +27.80 #96FAL/REA + -analytic 27.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 MgBr2:6H2O(s) -MgBr2:6H2O = 1.000Mg+2 + 2.000Br- + 6.000H2O - log_k 5.220 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.22E+0 0E+0 0E+0 0E+0 0E+0 +MgBr2:6H2O = +1.000Mg+2 +2.000Br- +6.000H2O + log_k +5.22 #96FAL/REA + -analytic 52.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 MgCl2(s) -MgCl2 = 1.000Mg+2 + 2.000Cl- - log_k 22.030 - delta_h -159.540 #kJ/mol - # Enthalpy of formation: -641.62 #kJ/mol #98CHA - -analytic -5.92017E+0 0E+0 8.33334E+3 0E+0 0E+0 +MgCl2 = +1.000Mg+2 +2.000Cl- + log_k +22.03 + delta_h -159.540 #kJ/mol +# Enthalpy of formation: -641.620 kJ/mol 98CHA + -analytic -59.20208E-1 00.00000E+0 83.33355E+2 00.00000E+0 00.00000E+0 MgCl2:2H2O(s) -MgCl2:2H2O = 1.000Mg+2 + 2.000Cl- + 2.000H2O - log_k 12.900 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0 +MgCl2:2H2O = +1.000Mg+2 +2.000Cl- +2.000H2O + log_k +12.90 #96FAL/REA + -analytic 12.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 MgCl2:4H2O(s) -MgCl2:4H2O = 1.000Mg+2 + 2.000Cl- + 4.000H2O - log_k 7.440 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.44E+0 0E+0 0E+0 0E+0 0E+0 +MgCl2:4H2O = +1.000Mg+2 +2.000Cl- +4.000H2O + log_k +7.44 #96FAL/REA + -analytic 74.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 MgCl2:H2O(s) -MgCl2:H2O = 1.000Mg+2 + 2.000Cl- + 1.000H2O - log_k 16.220 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.622E+1 0E+0 0E+0 0E+0 0E+0 - -MgCrO4(s) -MgCrO4 = 1.000Mg+2 + 1.000CrO4-2 - log_k -86.990 - delta_h 437.600 #kJ/mol - # Enthalpy of formation: -1783.6 #kJ/mol #95ROB/HEM - -analytic -1.03259E+1 0E+0 -2.28574E+4 0E+0 0E+0 +MgCl2:H2O = +1.000Mg+2 +2.000Cl- +1.000H2O + log_k +16.22 #96FAL/REA + -analytic 16.22000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +MgCr2O4(s) +MgCr2O4 = +1.000Mg+2 -8.000H+ +2.000Cr+3 +4.000H2O + log_k +22.17 + delta_h -307.720 #kJ/mol +# Enthalpy of formation: -1783.600 kJ/mol 95ROB/HEM + -analytic -31.74023E+0 00.00000E+0 16.07334E+3 00.00000E+0 00.00000E+0 MgF2(cr) -MgF2 = 1.000Mg+2 + 2.000F- - log_k -9.220 #92GRE/FUG - delta_h -13.500 #kJ/mol - # Enthalpy of formation: -1124.2 #kJ/mol - -analytic -1.15851E+1 0E+0 7.05153E+2 0E+0 0E+0 +MgF2 = +1.000Mg+2 +2.000F- + log_k -9.22 + delta_h -13.500 #kJ/mol +# Enthalpy of formation: -1124.200 kJ/mol 92GRE/FUG + -analytic -11.58510E+0 00.00000E+0 70.51541E+1 00.00000E+0 00.00000E+0 MgI2(s) -MgI2 = 1.000Mg+2 + 2.000I- - log_k 35.000 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.5E+1 0E+0 0E+0 0E+0 0E+0 +MgI2 = +1.000Mg+2 +2.000I- + log_k +35.00 #96FAL/REA + -analytic 35.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 MgMoO4(s) -MgMoO4 = 1.000Mg+2 + 1.000MoO4-2 - log_k -0.640 - delta_h -62.967 #kJ/mol - # Enthalpy of formation: -1401.033 #kJ/mol - -analytic -1.16713E+1 0E+0 3.28899E+3 0E+0 0E+0 +MgMoO4 = +1.000Mg+2 +1.000MoO4-2 + log_k -0.64 + delta_h -62.966 #kJ/mol +# Enthalpy of formation: -1401.033 kJ/mol + -analytic -11.67117E+0 00.00000E+0 32.88943E+2 00.00000E+0 00.00000E+0 + +Mg-oxychlorur +Mg2Cl(OH)3:4H2O = +2.000Mg+2 -3.000H+ +1.000Cl- +7.000H2O + log_k +26.03 #84HAR/MOL + delta_h -154.690 #kJ/mol +# Enthalpy of formation: -2947.200 kJ/mol 82WAG/EVA + -analytic -10.70525E-1 00.00000E+0 80.80021E+2 00.00000E+0 00.00000E+0 Microcline -KAlSi3O8 = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O - log_k 0.050 - delta_h -56.463 #kJ/mol - # Enthalpy of formation: -3974.34 #kJ/mol #99ARN/STE - -analytic -9.84188E+0 0E+0 2.94926E+3 0E+0 0E+0 +KAlSi3O8 = +1.000K+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -4.000H2O + log_k +0.05 + delta_h -56.462 #kJ/mol +# Enthalpy of formation: -3974.340 kJ/mol 99ARN/STE + -analytic -98.41718E-1 00.00000E+0 29.49216E+2 00.00000E+0 00.00000E+0 + -Vm 108.740 Millerite -NiS = 1.000Ni+2 - 1.000H+ + 1.000HS- - log_k -10.130 - delta_h 22.688 #kJ/mol - # Enthalpy of formation: -94 #kJ/mol #05GAM/BUG - -analytic -6.15524E+0 0E+0 -1.18508E+3 0E+0 0E+0 +NiS = +1.000Ni+2 -1.000H+ +1.000HS- + log_k -10.13 + delta_h +22.688 #kJ/mol +# Enthalpy of formation: -94.000 kJ/mol 05GAM/BUG + -analytic -61.55233E-1 00.00000E+0 -11.85077E+2 00.00000E+0 00.00000E+0 Minium -Pb3O4 = 3.000Pb+2 - 6.000H+ + 3.000H2O + 0.500O2 - log_k 30.540 - delta_h -142.111 #kJ/mol - # Enthalpy of formation: -718.686 #kJ/mol - -analytic 5.64326E+0 0E+0 7.42296E+3 0E+0 0E+0 +Pb3O4 = +3.000Pb+2 -8.000H+ -2.000e- +4.000H2O + log_k +73.53 + delta_h -421.874 #kJ/mol +# Enthalpy of formation: -718.686 kJ/mol 98CHA + -analytic -37.91522E-2 00.00000E+0 22.03601E+3 00.00000E+0 00.00000E+0 Minnesotaite -Fe3Si4O10(OH)2 = 3.000Fe+2 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 14.930 - delta_h -148.466 #kJ/mol - # Enthalpy of formation: -4822.99 #kJ/mol #83MIY/KLE - -analytic -1.10801E+1 0E+0 7.75491E+3 0E+0 0E+0 +Fe3Si4O10(OH)2 = +3.000Fe+2 -6.000H+ +4.000H4(SiO4) -4.000H2O + log_k +14.99 + delta_h -149.351 #kJ/mol +# Enthalpy of formation: -4822.990 kJ/mol 83MIY/KLE + -analytic -11.17517E+0 00.00000E+0 78.01146E+2 00.00000E+0 00.00000E+0 + -Vm 148.500 Mirabilite -Na2SO4:10H2O = 2.000Na+ + 1.000SO4-2 + 10.000H2O - log_k -1.230 #84HAR/MOL - delta_h 79.471 #kJ/mol - # Enthalpy of formation: -4327.791 #kJ/mol - -analytic 1.26927E+1 0E+0 -4.15105E+3 0E+0 0E+0 +Na2SO4:10H2O = +2.000Na+ +1.000SO4-2 +10.000H2O + log_k -1.23 #84HAR/MOL + delta_h +79.471 #kJ/mol +# Enthalpy of formation: -4327.788 kJ/mol + -analytic 12.69272E+0 00.00000E+0 -41.51059E+2 00.00000E+0 00.00000E+0 + -Vm 219.800 + +Mn(cr) +Mn = +1.000Mn+2 +2.000e- + log_k +39.99 + delta_h -220.800 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 82WAG/EVA in 05OLI/NOL + -analytic 13.07500E-1 00.00000E+0 11.53319E+3 00.00000E+0 00.00000E+0 Mn(H2SiO4)(s) -Mn(H2SiO4) = 1.000Mn+2 - 2.000H+ + 1.000H4(SiO4) - log_k 12.440 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.244E+1 0E+0 0E+0 0E+0 0E+0 +Mn(H2SiO4) = +1.000Mn+2 -2.000H+ +1.000H4(SiO4) + log_k +12.44 #88CHA/NEW + -analytic 12.44000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Mn(HPO4)(s) -Mn(HPO4) = 1.000Mn+2 - 1.000H+ + 1.000H2(PO4)- - log_k -5.740 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.74E+0 0E+0 0E+0 0E+0 0E+0 - -Mn(SO4)(s) -Mn(SO4) = 1.000Mn+2 + 1.000SO4-2 - log_k -2.680 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.68E+0 0E+0 0E+0 0E+0 0E+0 +Mn(HPO4) = +1.000Mn+2 -1.000H+ +1.000H2(PO4)- + log_k -5.74 #96FAL/REA + -analytic -57.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Mn(SeO3):2H2O(cr) -Mn(SeO3):2H2O = 1.000Mn+2 + 1.000SeO3-2 + 2.000H2O - log_k -7.600 #05OLI/NOL - delta_h -18.920 #kJ/mol - # Enthalpy of formation: -1280.7 #kJ/mol #05OLI/NOL - -analytic -1.09146E+1 0E+0 9.88259E+2 0E+0 0E+0 - -#Mn(cr) -#Mn = 1.000Mn+2 + 1.000H2O - 2.000H+ - 0.500O2 - # log_k - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA in 05OLI/NOL - # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 +Mn(SeO3):2H2O = +1.000Mn+2 +1.000SeO3-2 +2.000H2O + log_k -7.60 #05OLI/NOL + delta_h -18.920 #kJ/mol +# Enthalpy of formation: -1280.700 kJ/mol 05OLI/NOL + -analytic -10.91464E+0 00.00000E+0 98.82604E+1 00.00000E+0 00.00000E+0 + +Mn(SO4)(s) +Mn(SO4) = +1.000Mn+2 +1.000SO4-2 + log_k -2.68 #96FAL/REA + -analytic -26.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Mn2(Pyrophos)(s) -Mn2(Pyrophos) = 2.000Mn+2 + 1.000Pyrophos-4 - log_k -19.500 #88CHA/NEW - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.95E+1 0E+0 0E+0 0E+0 0E+0 +Mn2(Pyrophos) = +2.000Mn+2 +1.000Pyrophos-4 + log_k -19.50 #88CHA/NEW + -analytic -19.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Mn3(PO4)2(s) -Mn3(PO4)2 = 3.000Mn+2 - 4.000H+ + 2.000H2(PO4)- - log_k 15.320 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.532E+1 0E+0 0E+0 0E+0 0E+0 +Mn3(PO4)2 = +3.000Mn+2 -4.000H+ +2.000H2(PO4)- + log_k +15.32 #96FAL/REA + -analytic 15.32000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Mn3(PO4)2:3H2O(s) -Mn3(PO4)2:3H2O = 3.000Mn+2 - 4.000H+ + 2.000H2(PO4)- + 3.000H2O - log_k 2.320 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.32E+0 0E+0 0E+0 0E+0 0E+0 +Mn3(PO4)2:3H2O = +3.000Mn+2 -4.000H+ +2.000H2(PO4)- +3.000H2O + log_k +2.32 #96FAL/REA + -analytic 23.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 MnCl2:2H2O(s) -MnCl2:2H2O = 1.000Mn+2 + 2.000Cl- + 2.000H2O - log_k 3.980 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.98E+0 0E+0 0E+0 0E+0 0E+0 +MnCl2:2H2O = +1.000Mn+2 +2.000Cl- +2.000H2O + log_k +3.98 #96FAL/REA + -analytic 39.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 MnCl2:4H2O(s) -MnCl2:4H2O = 1.000Mn+2 + 2.000Cl- + 4.000H2O - log_k 2.710 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.71E+0 0E+0 0E+0 0E+0 0E+0 +MnCl2:4H2O = +1.000Mn+2 +2.000Cl- +4.000H2O + log_k +2.71 #96FAL/REA + -analytic 27.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 MnCl2:H2O(s) -MnCl2:H2O = 1.000Mn+2 + 2.000Cl- + 1.000H2O - log_k 5.530 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.53E+0 0E+0 0E+0 0E+0 0E+0 +MnCl2:H2O = +1.000Mn+2 +2.000Cl- +1.000H2O + log_k +5.53 #96FAL/REA + -analytic 55.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 MnO(s) -MnO = 1.000Mn+2 - 2.000H+ + 1.000H2O - log_k 17.900 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.79E+1 0E+0 0E+0 0E+0 0E+0 +MnO = +1.000Mn+2 -2.000H+ +1.000H2O + log_k +17.90 #96FAL/REA + -analytic 17.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 MnO2(s) -MnO2 = 1.000Mn+2 - 2.000H+ + 1.000H2O + 0.500O2 - log_k -0.990 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -9.9E-1 0E+0 0E+0 0E+0 0E+0 +MnO2 = +1.000Mn+2 -4.000H+ -2.000e- +2.000H2O + log_k +42.00 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 + -analytic 42.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 MnSe(alfa) -MnSe = 1.000Mn+2 - 1.000H+ + 1.000HSe- - log_k 0.300 - delta_h -28.579 #kJ/mol - # Enthalpy of formation: -177.921 #kJ/mol - -analytic -4.70682E+0 0E+0 1.49278E+3 0E+0 0E+0 +MnSe = +1.000Mn+2 -1.000H+ +1.000HSe- + log_k +0.33 + delta_h -28.579 #kJ/mol +# Enthalpy of formation: -177.921 kJ/mol + -analytic -46.76826E-1 00.00000E+0 14.92785E+2 00.00000E+0 00.00000E+0 MnSe2(cr) -MnSe2 = 1.000Mn+2 + 2.000HSe- - 1.000H2O + 0.500O2 - log_k -51.140 - delta_h 268.063 #kJ/mol - # Enthalpy of formation: -180.5 #kJ/mol #05OLI/NOL - -analytic -4.17745E+0 0E+0 -1.40019E+4 0E+0 0E+0 - -Mo(s) -Mo = 2.000H+ + 1.000MoO4-2 - 1.000H2O - 1.500O2 - log_k 109.390 - delta_h -692.969 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA - -analytic -1.20128E+1 0E+0 3.61962E+4 0E+0 0E+0 +MnSe2 = +1.000Mn+2 -2.000H+ -2.000e- +2.000HSe- + log_k -8.12 + delta_h -11.700 #kJ/mol +# Enthalpy of formation: -180.500 kJ/mol 05OLI/NOL + -analytic -10.16975E+0 00.00000E+0 61.11336E+1 00.00000E+0 00.00000E+0 + +Mo(cr) +Mo = +8.000H+ +6.000e- +1.000MoO4-2 -4.000H2O + log_k -19.58 + delta_h +146.320 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 82WAG/EVA + -analytic 60.54164E-1 00.00000E+0 -76.42826E+2 00.00000E+0 00.00000E+0 Mo3O8(s) -Mo3O8 = 6.000H+ + 3.000MoO4-2 - 3.000H2O - 0.500O2 - log_k -20.570 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.057E+1 0E+0 0E+0 0E+0 0E+0 - -MoO2(s) -MoO2 = 2.000H+ + 1.000MoO4-2 - 1.000H2O - 0.500O2 - log_k 13.110 - delta_h -117.246 #kJ/mol - # Enthalpy of formation: -587.857 #kJ/mol - -analytic -7.43059E+0 0E+0 6.12418E+3 0E+0 0E+0 - -MoO3(s) -MoO3 = 2.000H+ + 1.000MoO4-2 - 1.000H2O - log_k -11.980 - delta_h 34.001 #kJ/mol - # Enthalpy of formation: -745.171 #kJ/mol - -analytic -6.02329E+0 0E+0 -1.77599E+3 0E+0 0E+0 - -MoS2(s) -MoS2 = 4.000H+ + 2.000HS- + 1.000MoO4-2 - 3.000H2O - 0.500O2 - log_k -26.920 - delta_h 105.752 #kJ/mol - # Enthalpy of formation: -271.795 #kJ/mol - -analytic -8.39307E+0 0E+0 -5.5238E+3 0E+0 0E+0 - -MoS3(s) -MoS3 = 5.000H+ + 3.000HS- + 1.000MoO4-2 - 4.000H2O - log_k -68.070 - delta_h 354.849 #kJ/mol - # Enthalpy of formation: -257.429 #kJ/mol - -analytic -5.90321E+0 0E+0 -1.8535E+4 0E+0 0E+0 +Mo3O8 = +8.000H+ +2.000e- +3.000MoO4-2 -4.000H2O + log_k -63.56 + -analytic -63.56000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Monocarboaluminate -(CaO)3Al2O3:CaCO3:10.68H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000CO3-2 + 16.680H2O - log_k 70.300 #95DAM/GLA - delta_h -515.924 #kJ/mol - # Enthalpy of formation: -8175.75 #kJ/mol #10BLA/BOU2 - -analytic -2.00859E+1 0E+0 2.69485E+4 0E+0 0E+0 +(CaO)3Al2O3:CaCO3:10.68H2O = +4.000Ca+2 +2.000Al+3 -12.000H+ +1.000CO3-2 +16.680H2O + log_k +70.30 #95DAM/GLA + delta_h -515.924 #kJ/mol +# Enthalpy of formation: -8175.750 kJ/mol 10BLA/BOU2 + -analytic -20.08600E+0 00.00000E+0 26.94859E+3 00.00000E+0 00.00000E+0 + -Vm 261.960 Monosulfate-Fe -Ca4Fe2(SO4)(OH)12:6H2O = 4.000Ca+2 + 2.000Fe+3 - 12.000H+ + 1.000SO4-2 + 18.000H2O - log_k 66.050 #10BLA/BOU2 - delta_h -477.312 #kJ/mol - # Enthalpy of formation: -7846.968 #kJ/mol - -analytic -1.75714E+1 0E+0 2.49317E+4 0E+0 0E+0 +Ca4Fe2(SO4)(OH)12:6H2O = +4.000Ca+2 +2.000Fe+3 -12.000H+ +1.000SO4-2 +18.000H2O + log_k +66.05 #10BLA/BOU2 + delta_h -479.966 #kJ/mol +# Enthalpy of formation: -7846.419 kJ/mol + -analytic -18.03643E+0 00.00000E+0 25.07037E+3 00.00000E+0 00.00000E+0 + -Vm 316.060 Monosulfoaluminate -Ca4Al2(SO4)(OH)12:6H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000SO4-2 + 18.000H2O - log_k 73.070 #10BLA/BOU2 - delta_h -539.400 #kJ/mol - # Enthalpy of formation: -8763.68 #kJ/mol #10BLA/BOU2 - -analytic -2.14287E+1 0E+0 2.81748E+4 0E+0 0E+0 +Ca4Al2(SO4)(OH)12:6H2O = +4.000Ca+2 +2.000Al+3 -12.000H+ +1.000SO4-2 +18.000H2O + log_k +73.07 #10BLA/BOU2 + delta_h -539.400 #kJ/mol +# Enthalpy of formation: -8763.680 kJ/mol 10BLA/BOU2 + -analytic -21.42882E+0 00.00000E+0 28.17482E+3 00.00000E+0 00.00000E+0 + -Vm 311.260 Montmorillonite-BCCa -Ca0.17Mg0.34Al1.66Si4O10(OH)2 = 0.170Ca+2 + 0.340Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 4.200 - delta_h -156.000 #kJ/mol - # Enthalpy of formation: -5690.29 #kJ/mol #15BLA/VIE - -analytic -2.313E+1 0E+0 8.14844E+3 0E+0 0E+0 +Ca0.17Mg0.34Al1.66Si4O10(OH)2 = +0.170Ca+2 +0.340Mg+2 +1.660Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O + log_k +4.20 + delta_h -156.000 #kJ/mol +# Enthalpy of formation: -5690.290 kJ/mol 15BLA/VIE + -analytic -23.13003E+0 00.00000E+0 81.48448E+2 00.00000E+0 00.00000E+0 + -Vm 135.580 Montmorillonite-BCK -K0.34Mg0.34Al1.66Si4O10(OH)2 = 0.340Mg+2 + 0.340K+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 2.810 - delta_h -136.198 #kJ/mol - # Enthalpy of formation: -5703.51 #kJ/mol #15BLA/VIE - -analytic -2.10508E+1 0E+0 7.11411E+3 0E+0 0E+0 +K0.34Mg0.34Al1.66Si4O10(OH)2 = +0.340Mg+2 +0.340K+ +1.660Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O + log_k +2.81 + delta_h -136.198 #kJ/mol +# Enthalpy of formation: -5703.510 kJ/mol 15BLA/VIE + -analytic -21.05087E+0 00.00000E+0 71.14117E+2 00.00000E+0 00.00000E+0 + -Vm 134.690 Montmorillonite-BCMg -Mg0.17Mg0.34Al1.66Si4O10(OH)2 = 0.510Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 3.690 - delta_h -157.360 #kJ/mol - # Enthalpy of formation: -5676.01 #kJ/mol #15BLA/VIE - -analytic -2.38782E+1 0E+0 8.21947E+3 0E+0 0E+0 +Mg0.17Mg0.34Al1.66Si4O10(OH)2 = +0.510Mg+2 +1.660Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O + log_k +3.69 + delta_h -157.360 #kJ/mol +# Enthalpy of formation: -5676.010 kJ/mol 15BLA/VIE + -analytic -23.87829E+0 00.00000E+0 82.19485E+2 00.00000E+0 00.00000E+0 + -Vm 131.580 Montmorillonite-BCNa -Na0.34Mg0.34Al1.66Si4O10(OH)2 = 0.340Mg+2 + 0.340Na+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 3.390 - delta_h -145.286 #kJ/mol - # Enthalpy of formation: -5690.41 #kJ/mol #15BLA/VIE - -analytic -2.2063E+1 0E+0 7.58881E+3 0E+0 0E+0 +Na0.34Mg0.34Al1.66Si4O10(OH)2 = +0.340Mg+2 +0.340Na+ +1.660Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O + log_k +3.39 + delta_h -145.286 #kJ/mol +# Enthalpy of formation: -5690.410 kJ/mol 15BLA/VIE + -analytic -22.06301E+0 00.00000E+0 75.88816E+2 00.00000E+0 00.00000E+0 + -Vm 133.960 Montmorillonite-HCCa -Ca0.3Mg0.6Al1.4Si4O10(OH)2 = 0.300Ca+2 + 0.600Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 6.890 - delta_h -163.896 #kJ/mol - # Enthalpy of formation: -5734.42 #kJ/mol #15BLA/VIE - -analytic -2.18233E+1 0E+0 8.56087E+3 0E+0 0E+0 +Ca0.3Mg0.6Al1.4Si4O10(OH)2 = +0.300Ca+2 +0.600Mg+2 +1.400Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O + log_k +6.89 + delta_h -163.896 #kJ/mol +# Enthalpy of formation: -5734.420 kJ/mol 15BLA/VIE + -analytic -21.82335E+0 00.00000E+0 85.60884E+2 00.00000E+0 00.00000E+0 + -Vm 140.320 Montmorillonite-HCK -K0.6Mg0.6Al1.4Si4O10(OH)2 = 0.600Mg+2 + 0.600K+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 4.430 - delta_h -128.960 #kJ/mol - # Enthalpy of formation: -5757.74 #kJ/mol #15BLA/VIE - -analytic -1.81628E+1 0E+0 6.73604E+3 0E+0 0E+0 +K0.6Mg0.6Al1.4Si4O10(OH)2 = +0.600Mg+2 +0.600K+ +1.400Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O + log_k +4.43 + delta_h -128.960 #kJ/mol +# Enthalpy of formation: -5757.740 kJ/mol 15BLA/VIE + -analytic -18.16282E+0 00.00000E+0 67.36050E+2 00.00000E+0 00.00000E+0 + -Vm 138.750 Montmorillonite-HCMg -Mg0.3Mg0.6Al1.4Si4O10(OH)2 = 0.900Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 5.980 - delta_h -166.296 #kJ/mol - # Enthalpy of formation: -5709.22 #kJ/mol #15BLA/VIE - -analytic -2.31538E+1 0E+0 8.68623E+3 0E+0 0E+0 +Mg0.3Mg0.6Al1.4Si4O10(OH)2 = +0.900Mg+2 +1.400Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O + log_k +5.98 + delta_h -166.296 #kJ/mol +# Enthalpy of formation: -5709.220 kJ/mol 15BLA/VIE + -analytic -23.15381E+0 00.00000E+0 86.86245E+2 00.00000E+0 00.00000E+0 + -Vm 133.270 Montmorillonite-HCNa -Na0.6Mg0.6Al1.4Si4O10(OH)2 = 0.600Mg+2 + 0.600Na+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 5.450 - delta_h -144.990 #kJ/mol - # Enthalpy of formation: -5734.63 #kJ/mol #15BLA/VIE - -analytic -1.99511E+1 0E+0 7.57334E+3 0E+0 0E+0 +Na0.6Mg0.6Al1.4Si4O10(OH)2 = +0.600Mg+2 +0.600Na+ +1.400Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O + log_k +5.45 + delta_h -144.990 #kJ/mol +# Enthalpy of formation: -5734.630 kJ/mol 15BLA/VIE + -analytic -19.95116E+0 00.00000E+0 75.73355E+2 00.00000E+0 00.00000E+0 + -Vm 137.470 + +MoO2(s) +MoO2 = +4.000H+ +2.000e- +1.000MoO4-2 -2.000H2O + log_k -29.88 + delta_h +162.510 #kJ/mol +# Enthalpy of formation: -587.851 kJ/mol + -analytic -14.09470E-1 00.00000E+0 -84.88488E+2 00.00000E+0 00.00000E+0 + +MoO3(s) +MoO3 = +2.000H+ +1.000MoO4-2 -1.000H2O + log_k -11.98 + delta_h +34.001 #kJ/mol +# Enthalpy of formation: -745.171 kJ/mol + -analytic -60.23280E-1 00.00000E+0 -17.75996E+2 00.00000E+0 00.00000E+0 Mordenite_Ca -Ca0.515Al1.03Si4.97O12:3.1H2O = 0.515Ca+2 + 1.030Al+3 - 4.120H+ + 4.970H4(SiO4) - 4.780H2O - log_k -2.920 #09BLA - delta_h -74.768 #kJ/mol - # Enthalpy of formation: -6655.295 #kJ/mol - -analytic -1.60188E+1 0E+0 3.9054E+3 0E+0 0E+0 +Ca0.515Al1.03Si4.97O12:3.1H2O = +0.515Ca+2 +1.030Al+3 -4.120H+ +4.970H4(SiO4) -4.780H2O + log_k -2.92 #09BLA + delta_h -74.732 #kJ/mol +# Enthalpy of formation: -6655.334 kJ/mol + -analytic -16.01248E+0 00.00000E+0 39.03524E+2 00.00000E+0 00.00000E+0 + -Vm 209.800 Mordenite_Oregon -Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O = 0.289Ca+2 + 0.362Na+ + 0.940Al+3 - 3.760H+ + 5.060H4(SiO4) - 4.772H2O - log_k -4.160 - delta_h -41.247 #kJ/mol - # Enthalpy of formation: -6738.44 #kJ/mol #92JOH/TAS - -analytic -1.13862E+1 0E+0 2.15448E+3 0E+0 0E+0 +Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O = +0.289Ca+2 +0.362Na+ +0.940Al+3 -3.760H+ +5.060H4(SiO4) -4.772H2O + log_k -4.18 + delta_h -41.247 #kJ/mol +# Enthalpy of formation: -6738.440 kJ/mol 92JOH/TAS + -analytic -11.40616E+0 00.00000E+0 21.54481E+2 00.00000E+0 00.00000E+0 + -Vm 212.400 -Muscovite -KAl3Si3O10(OH)2 = 1.000K+ + 3.000Al+3 - 10.000H+ + 3.000H4(SiO4) - log_k 13.040 - delta_h -276.122 #kJ/mol - # Enthalpy of formation: -5974.8 #kJ/mol #95HAS/CYG - -analytic -3.53344E+1 0E+0 1.44228E+4 0E+0 0E+0 +MoS2(s) +MoS2 = +6.000H+ +2.000e- +2.000HS- +1.000MoO4-2 -4.000H2O + log_k -69.91 + delta_h +385.522 #kJ/mol +# Enthalpy of formation: -271.804 kJ/mol + -analytic -23.69445E-1 00.00000E+0 -20.13722E+3 00.00000E+0 00.00000E+0 -Na(NO3)(s) -Na(NO3) = 1.000Na+ + 1.000NO3- - log_k 1.090 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.09E+0 0E+0 0E+0 0E+0 0E+0 - -Na(TcO4):4H2O(s) -Na(TcO4):4H2O = 1.000Na+ + 1.000TcO4- + 4.000H2O - log_k 0.790 #99RAR/RAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 7.9E-1 0E+0 0E+0 0E+0 0E+0 +MoS3(s) +MoS3 = +5.000H+ +3.000HS- +1.000MoO4-2 -4.000H2O + log_k -68.07 + delta_h +354.847 #kJ/mol +# Enthalpy of formation: -257.429 kJ/mol + -analytic -59.03474E-1 00.00000E+0 -18.53495E+3 00.00000E+0 00.00000E+0 + +Muscovite +KAl3Si3O10(OH)2 = +1.000K+ +3.000Al+3 -10.000H+ +3.000H4(SiO4) + log_k +13.02 + delta_h -276.122 #kJ/mol +# Enthalpy of formation: -5974.800 kJ/mol 95HAS/CYG + -analytic -35.35450E+0 00.00000E+0 14.42286E+3 00.00000E+0 00.00000E+0 + -Vm 140.810 Na(cr) -Na = 1.000Na+ + 0.500H2O - 1.000H+ - 0.250O2 - log_k 67.385 - delta_h -380.222 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG (89COX/WAG) - -analytic 7.7315E-1 0E+0 1.98603E+4 0E+0 0E+0 +Na = +1.000Na+ +1.000e- + log_k +45.89 + delta_h -240.340 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG (89COX/WAG) + -analytic 37.84239E-1 00.00000E+0 12.55383E+3 00.00000E+0 00.00000E+0 + +Na(NO3)(s) +Na(NO3) = +1.000Na+ +1.000NO3- + log_k +1.09 #96FAL/REA + -analytic 10.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Na2(CO3)(cr) -Na2(CO3) = 2.000Na+ + 1.000CO3-2 - log_k 1.120 - delta_h -26.710 #kJ/mol - # Enthalpy of formation: -1129.2 #kJ/mol #95ROB/HEM - -analytic -3.55938E+0 0E+0 1.39516E+3 0E+0 0E+0 +Na2(CO3) = +2.000Na+ +1.000CO3-2 + log_k +1.12 + delta_h -26.710 #kJ/mol +# Enthalpy of formation: -1129.200 kJ/mol 95ROB/HEM + -analytic -35.59391E-1 00.00000E+0 13.95160E+2 00.00000E+0 00.00000E+0 Na2B4O7(cr) -Na2B4O7 = 2.000Na+ + 2.000H+ + 4.000B(OH)4- - 9.000H2O - log_k -16.060 - delta_h 2.534 #kJ/mol - # Enthalpy of formation: -3291.208 #kJ/mol - -analytic -1.56161E+1 0E+0 -1.3236E+2 0E+0 0E+0 +Na2B4O7 = +2.000Na+ +2.000H+ +4.000B(OH)4- -9.000H2O + log_k -16.06 + delta_h +2.520 #kJ/mol +# Enthalpy of formation: -3291.196 kJ/mol + -analytic -15.61851E+0 00.00000E+0 -13.16288E+1 00.00000E+0 00.00000E+0 Na2B4O7:10H2O(s) -Na2B4O7:10H2O = 2.000Na+ + 2.000H+ + 4.000B(OH)4- + 1.000H2O - log_k -24.580 - delta_h 141.721 #kJ/mol - # Enthalpy of formation: -6288.445 #kJ/mol - -analytic 2.48417E-1 0E+0 -7.40259E+3 0E+0 0E+0 +Na2B4O7:10H2O = +2.000Na+ +2.000H+ +4.000B(OH)4- +1.000H2O + log_k -24.58 + delta_h +141.471 #kJ/mol +# Enthalpy of formation: -6288.445 kJ/mol + -analytic 20.46553E-2 00.00000E+0 -73.89545E+2 00.00000E+0 00.00000E+0 Na2CO3:7H2O(s) -Na2CO3:7H2O = 2.000Na+ + 1.000CO3-2 + 7.000H2O - log_k -0.460 #84HAR/MOL - delta_h 42.682 #kJ/mol - # Enthalpy of formation: -3199.402 #kJ/mol - -analytic 7.01755E+0 0E+0 -2.22943E+3 0E+0 0E+0 +Na2CO3:7H2O = +2.000Na+ +1.000CO3-2 +7.000H2O + log_k -0.46 #84HAR/MOL + delta_h +42.682 #kJ/mol +# Enthalpy of formation: -3199.400 kJ/mol + -analytic 70.17565E-1 00.00000E+0 -22.29436E+2 00.00000E+0 00.00000E+0 Na2HPO4(cr) -Na2HPO4 = 2.000Na+ - 1.000H+ + 1.000H2(PO4)- - log_k 9.240 - delta_h -35.180 #kJ/mol - # Enthalpy of formation: -1748.1 #kJ/mol #82WAG/EVA - -analytic 3.07674E+0 0E+0 1.83758E+3 0E+0 0E+0 +Na2HPO4 = +2.000Na+ -1.000H+ +1.000H2(PO4)- + log_k +9.24 + delta_h -35.180 #kJ/mol +# Enthalpy of formation: -1748.100 kJ/mol 82WAG/EVA + -analytic 30.76729E-1 00.00000E+0 18.37579E+2 00.00000E+0 00.00000E+0 + +Na2Np2O7(cr) +Na2Np2O7 = +2.000Na+ +2.000NpO2+2 -6.000H+ +3.000H2O + log_k +25.20 #20GRE/GAO + -analytic 25.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Na2O(cr) -Na2O = 2.000Na+ - 2.000H+ + 1.000H2O - log_k 67.460 - delta_h -351.710 #kJ/mol - # Enthalpy of formation: -414.8 #kJ/mol #95ROB/HEM - -analytic 5.84314E+0 0E+0 1.83711E+4 0E+0 0E+0 +Na2O = +2.000Na+ -2.000H+ +1.000H2O + log_k +67.46 + delta_h -351.710 #kJ/mol +# Enthalpy of formation: -414.800 kJ/mol 95ROB/HEM + -analytic 58.43053E-1 00.00000E+0 18.37109E+3 00.00000E+0 00.00000E+0 + +Na2U2O7:H2O(cr) +Na2U2O7:H2O = +2.000Na+ +2.000UO2+2 -6.000H+ +4.000H2O + log_k +24.40 #20GRE/GAO + -analytic 24.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Na2ZrSi2O7(cr) -Na2ZrSi2O7 = 2.000Na+ - 6.000H+ + 2.000H4(SiO4) + 1.000Zr+4 - 1.000H2O - log_k 3.740 - delta_h -119.738 #kJ/mol - # Enthalpy of formation: -3606 #kJ/mol #05BRO/CUR - -analytic -1.72372E+1 0E+0 6.25434E+3 0E+0 0E+0 +Na2ZrSi2O7 = +2.000Na+ -6.000H+ +2.000H4(SiO4) +1.000Zr+4 -1.000H2O + log_k +3.74 + delta_h -119.738 #kJ/mol +# Enthalpy of formation: -3606.000 kJ/mol 05BRO/CUR + -analytic -17.23720E+0 00.00000E+0 62.54351E+2 00.00000E+0 00.00000E+0 Na2ZrSi3O9:2H2O(cr) -Na2ZrSi3O9:2H2O = 2.000Na+ - 6.000H+ + 3.000H4(SiO4) + 1.000Zr+4 - 1.000H2O - log_k 15.580 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.558E+1 0E+0 0E+0 0E+0 0E+0 +Na2ZrSi3O9:2H2O = +2.000Na+ -6.000H+ +3.000H4(SiO4) +1.000Zr+4 -1.000H2O + log_k +15.58 + -analytic 15.58000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Na2ZrSi4O11(cr) -Na2ZrSi4O11 = 2.000Na+ - 6.000H+ + 4.000H4(SiO4) + 1.000Zr+4 - 5.000H2O - log_k -13.560 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.356E+1 0E+0 0E+0 0E+0 0E+0 +Na2ZrSi4O11 = +2.000Na+ -6.000H+ +4.000H4(SiO4) +1.000Zr+4 -5.000H2O + log_k -13.56 + -analytic -13.56000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Na2ZrSi6O15:3H2O(cr) -Na2ZrSi6O15:3H2O = 2.000Na+ - 6.000H+ + 6.000H4(SiO4) + 1.000Zr+4 - 6.000H2O - log_k 16.460 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.646E+1 0E+0 0E+0 0E+0 0E+0 +Na2ZrSi6O15:3H2O = +2.000Na+ -6.000H+ +6.000H4(SiO4) +1.000Zr+4 -6.000H2O + log_k +16.46 + -analytic 16.46000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Na2ZrSiO5(cr) -Na2ZrSiO5 = 2.000Na+ - 6.000H+ + 1.000H4(SiO4) + 1.000Zr+4 + 1.000H2O - log_k 13.190 - delta_h -166.204 #kJ/mol - # Enthalpy of formation: -2670 #kJ/mol #05BRO/CUR - -analytic -1.59276E+1 0E+0 8.68143E+3 0E+0 0E+0 +Na2ZrSiO5 = +2.000Na+ -6.000H+ +1.000H4(SiO4) +1.000Zr+4 +1.000H2O + log_k +13.19 + delta_h -166.204 #kJ/mol +# Enthalpy of formation: -2670.000 kJ/mol 05BRO/CUR + -analytic -15.92769E+0 00.00000E+0 86.81440E+2 00.00000E+0 00.00000E+0 + +Na3NpO2(CO3)2(cr) +Na3NpO2(CO3)2 = +3.000Na+ +1.000NpO2+ +2.000CO3-2 + log_k -14.22 #03GUI/FAN + -analytic -14.22000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Na3PO4(cr) -Na3PO4 = 3.000Na+ - 2.000H+ + 1.000H2(PO4)- - log_k 23.520 - delta_h -106.218 #kJ/mol - # Enthalpy of formation: -1917.402 #kJ/mol #74NAU/RYZ - -analytic 4.91143E+0 0E+0 5.54814E+3 0E+0 0E+0 +Na3PO4 = +3.000Na+ -2.000H+ +1.000H2(PO4)- + log_k +23.52 + delta_h -106.218 #kJ/mol +# Enthalpy of formation: -1917.402 kJ/mol 74NAU/RYZ + -analytic 49.11405E-1 00.00000E+0 55.48153E+2 00.00000E+0 00.00000E+0 Na4Zr2Si3O12(cr) -Na4Zr2Si3O12 = 4.000Na+ - 12.000H+ + 3.000H4(SiO4) + 2.000Zr+4 - log_k 15.510 - delta_h -276.942 #kJ/mol - # Enthalpy of formation: -6285 #kJ/mol #05BRO/CUR - -analytic -3.30081E+1 0E+0 1.44657E+4 0E+0 0E+0 +Na4Zr2Si3O12 = +4.000Na+ -12.000H+ +3.000H4(SiO4) +2.000Zr+4 + log_k +15.50 + delta_h -276.942 #kJ/mol +# Enthalpy of formation: -6285.000 kJ/mol 05BRO/CUR + -analytic -33.01816E+0 00.00000E+0 14.46569E+3 00.00000E+0 00.00000E+0 Na6Th(CO3)5:12H2O(cr) -Na6Th(CO3)5:12H2O = 6.000Na+ + 1.000Th+4 + 5.000CO3-2 + 12.000H2O - log_k -42.200 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.22E+1 0E+0 0E+0 0E+0 0E+0 +Na6Th(CO3)5:12H2O = +6.000Na+ +1.000Th+4 +5.000CO3-2 +12.000H2O + log_k -42.20 #09RAN/FUG + -analytic -42.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +NaAm(CO3)2:5H2O(s) +NaAm(CO3)2:5H2O = +1.000Na+ +1.000Am+3 +2.000CO3-2 +5.000H2O + log_k -21.00 #03GUI/FAN + -analytic -21.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 NaAmO2CO3(s) -NaAmO2CO3 = 1.000Na+ + 1.000AmO2+ + 1.000CO3-2 - log_k -10.900 #94GIF, 94RUN/KIM, 96RUN/NEU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.09E+1 0E+0 0E+0 0E+0 0E+0 +NaAmO2CO3 = +1.000Na+ +1.000AmO2+ +1.000CO3-2 + log_k -10.90 #94GIF, 94RUN/KIM, 96RUN/NEU + -analytic -10.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 NaBO2(s) -NaBO2 = 1.000Na+ + 1.000B(OH)4- - 2.000H2O - log_k 3.620 - delta_h -36.790 #kJ/mol - # Enthalpy of formation: -977.006 #kJ/mol - -analytic -2.82532E+0 0E+0 1.92167E+3 0E+0 0E+0 +NaBO2 = +1.000Na+ +1.000B(OH)4- -2.000H2O + log_k +3.62 + delta_h -36.793 #kJ/mol +# Enthalpy of formation: -977.003 kJ/mol + -analytic -28.25857E-1 00.00000E+0 19.21832E+2 00.00000E+0 00.00000E+0 + +Na-Boltwoodite +Na(UO2)(SiO3OH):H2O = +1.000Na+ +1.000UO2+2 -3.000H+ +1.000H4(SiO4) +1.000H2O + log_k +5.81 #20GRE/GAO + -analytic 58.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 NaCm(CO3)2:5H2O(s) -NaCm(CO3)2:5H2O = 1.000Na+ + 2.000CO3-2 + 1.000Cm+3 + 5.000H2O - log_k -21.000 #estimated by correlation with Ln(III) and An(III) - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0 +NaCm(CO3)2:5H2O = +1.000Na+ +2.000CO3-2 +1.000Cm+3 +5.000H2O + log_k -20.94 #Estimated by correlation with An(III). + -analytic -20.94000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 NaEu(CO3)2:5H2O(s) -NaEu(CO3)2:5H2O = 1.000Na+ + 1.000Eu+3 + 2.000CO3-2 + 5.000H2O - log_k -20.900 #05VER/VIT2 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.09E+1 0E+0 0E+0 0E+0 0E+0 +NaEu(CO3)2:5H2O = +1.000Na+ +1.000Eu+3 +2.000CO3-2 +5.000H2O + log_k -20.60 #10PHI + -analytic -20.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 NaF(s) -NaF = 1.000Na+ + 1.000F- - log_k -0.480 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.8E-1 0E+0 0E+0 0E+0 0E+0 +NaF = +1.000Na+ +1.000F- + log_k -0.48 #96FAL/REA + -analytic -48.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 NaH2PO4(cr) -NaH2PO4 = 1.000Na+ + 1.000H2(PO4)- - log_k 2.300 - delta_h -6.140 #kJ/mol - # Enthalpy of formation: -1536.8 #kJ/mol #82WAG/EVA - -analytic 1.22432E+0 0E+0 3.20714E+2 0E+0 0E+0 +NaH2PO4 = +1.000Na+ +1.000H2(PO4)- + log_k +2.30 + delta_h -6.140 #kJ/mol +# Enthalpy of formation: -1536.800 kJ/mol 82WAG/EVA + -analytic 12.24318E-1 00.00000E+0 32.07145E+1 00.00000E+0 00.00000E+0 + +Nahcolite +Na(HCO3) = +1.000Na+ +1.000H+ +1.000CO3-2 + log_k -10.74 #84HAR/MOL + delta_h +33.430 #kJ/mol +# Enthalpy of formation: -949.000 kJ/mol 82VAN + -analytic -48.83315E-1 00.00000E+0 -17.46171E+2 00.00000E+0 00.00000E+0 NaHo(CO3)2:5H2O(s) -NaHo(CO3)2:5H2O = 1.000Na+ + 1.000Ho+3 + 2.000CO3-2 + 5.000H2O - log_k -20.500 #Estimated by ionic radii correlation - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.05E+1 0E+0 0E+0 0E+0 0E+0 +NaHo(CO3)2:5H2O = +1.000Na+ +1.000Ho+3 +2.000CO3-2 +5.000H2O + log_k -19.97 #Estimated by correlation with An(III). + -analytic -19.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 NaNbO3(s) -NaNbO3 = 1.000Na+ + 1.000Nb(OH)6- - 3.000H2O - log_k -3.660 - delta_h 7.504 #kJ/mol - # Enthalpy of formation: -1316.013 #kJ/mol - -analytic -2.34536E+0 0E+0 -3.91961E+2 0E+0 0E+0 +NaNbO3 = +1.000Na+ +1.000Nb(OH)6- -3.000H2O + log_k -3.66 + delta_h +7.504 #kJ/mol +# Enthalpy of formation: -1316.013 kJ/mol + -analytic -23.45356E-1 00.00000E+0 -39.19612E+1 00.00000E+0 00.00000E+0 + +NaNpO2CO3:3.5H2O(cr) +NaNpO2CO3:3.5H2O = +1.000Na+ +1.000NpO2+ +1.000CO3-2 +3.500H2O + log_k -11.00 #03GUI/FAN + delta_h +30.997 #kJ/mol +# Enthalpy of formation: -2925.152 kJ/mol + -analytic -55.69559E-1 00.00000E+0 -16.19086E+2 00.00000E+0 00.00000E+0 NaSm(CO3)2:5H2O(s) -NaSm(CO3)2:5H2O = 1.000Na+ + 1.000Sm+3 + 2.000CO3-2 + 5.000H2O - log_k -20.990 #Estimated by ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.099E+1 0E+0 0E+0 0E+0 0E+0 +NaSm(CO3)2:5H2O = +1.000Na+ +1.000Sm+3 +2.000CO3-2 +5.000H2O + log_k -20.99 #Estimated by correlation with An(III). + -analytic -20.99000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 -Nahcolite -Na(HCO3) = 1.000Na+ + 1.000H+ + 1.000CO3-2 - log_k -10.740 #84HAR/MOL - delta_h 33.430 #kJ/mol - # Enthalpy of formation: -949 #kJ/mol #82VAN - -analytic -4.88332E+0 0E+0 -1.74617E+3 0E+0 0E+0 +NaTcO4:4H2O(s) +NaTcO4:4H2O = +1.000Na+ +1.000TcO4- +4.000H2O + log_k +0.79 #99RAR/RAN + -analytic 79.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Natrolite -Na2(Al2Si3)O10:2H2O = 2.000Na+ + 2.000Al+3 - 8.000H+ + 3.000H4(SiO4) - log_k 19.330 - delta_h -222.462 #kJ/mol - # Enthalpy of formation: -5718.6 #kJ/mol #83JOH/FLO - -analytic -1.96436E+1 0E+0 1.162E+4 0E+0 0E+0 +Na2(Al2Si3)O10:2H2O = +2.000Na+ +2.000Al+3 -8.000H+ +3.000H4(SiO4) + log_k +19.31 + delta_h -222.462 #kJ/mol +# Enthalpy of formation: -5718.600 kJ/mol 83JOH/FLO + -analytic -19.66367E+0 00.00000E+0 11.62000E+3 00.00000E+0 00.00000E+0 + -Vm 169.200 Natron -Na2(CO3):10H2O = 2.000Na+ + 1.000CO3-2 + 10.000H2O - log_k -0.830 #84HAR/MOL - delta_h 64.870 #kJ/mol - # Enthalpy of formation: -4079 #kJ/mol - -analytic 1.05347E+1 0E+0 -3.38839E+3 0E+0 0E+0 +Na2(CO3):10H2O = +2.000Na+ +1.000CO3-2 +10.000H2O + log_k -0.83 #84HAR/MOL + delta_h +64.870 #kJ/mol +# Enthalpy of formation: -4079.078 kJ/mol + -analytic 10.53474E+0 00.00000E+0 -33.88396E+2 00.00000E+0 00.00000E+0 Nb(cr) -Nb = 1.000H+ + 1.000Nb(OH)6- - 3.500H2O - 1.250O2 - log_k 149.295 - delta_h -910.093 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA - -analytic -1.01461E+1 0E+0 4.75374E+4 0E+0 0E+0 +Nb = +6.000H+ +1.000Nb(OH)6- +5.000e- -6.000H2O + log_k +41.82 + delta_h -210.678 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 82WAG/EVA + -analytic 49.10799E-1 00.00000E+0 11.00448E+3 00.00000E+0 00.00000E+0 Nb2O5(s) -Nb2O5 = 2.000H+ + 2.000Nb(OH)6- - 7.000H2O - log_k -28.380 #97PEI/NGU - delta_h 52.400 #kJ/mol #97PEI/NGU - # Enthalpy of formation: -1902.92 #kJ/mol - -analytic -1.91999E+1 0E+0 -2.73704E+3 0E+0 0E+0 +Nb2O5 = +2.000H+ +2.000Nb(OH)6- -7.000H2O + log_k -28.38 #97PEI/NGU + delta_h +52.400 #kJ/mol 97PEI/NGU +# Enthalpy of formation: -1902.906 kJ/mol + -analytic -19.19991E+0 00.00000E+0 -27.37043E+2 00.00000E+0 00.00000E+0 Nesquehonite -Mg(CO3):3H2O = 1.000Mg+2 + 1.000CO3-2 + 3.000H2O - log_k -5.100 - delta_h -22.420 #kJ/mol - # Enthalpy of formation: -1977.3 #kJ/mol #73ROB/HEM - -analytic -9.02781E+0 0E+0 1.17108E+3 0E+0 0E+0 +Mg(CO3):3H2O = +1.000Mg+2 +1.000CO3-2 +3.000H2O + log_k -5.10 + delta_h -22.420 #kJ/mol +# Enthalpy of formation: -1977.300 kJ/mol 73ROB/HEM + -analytic -90.27815E-1 00.00000E+0 11.71078E+2 00.00000E+0 00.00000E+0 Ni(BO2)2(s) -Ni(BO2)2 = 1.000Ni+2 + 2.000B(OH)4- - 4.000H2O - log_k -8.700 #92PEA/BER - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -8.7E+0 0E+0 0E+0 0E+0 0E+0 - -#Ni(CO3)(cr) -#Ni(CO3) = 1.000Ni+2 + 1.000CO3-2 - # log_k - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -713.32 #kJ/mol #05GAM/BUG - # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 +Ni(BO2)2 = +1.000Ni+2 +2.000B(OH)4- -4.000H2O + log_k -8.70 #92PEA/BER + -analytic -87.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Ni(CO3)(cr) +Ni(CO3) = +1.000Ni+2 +1.000CO3-2 + log_k -10.99 + delta_h -16.922 #kJ/mol +# Enthalpy of formation: -713.320 kJ/mol + -analytic -13.95461E+0 00.00000E+0 88.38976E+1 00.00000E+0 00.00000E+0 Ni(CO3):5.5H2O(cr) -Ni(CO3):5.5H2O = 1.000Ni+2 + 1.000CO3-2 + 5.500H2O - log_k -7.520 - delta_h 10.685 #kJ/mol - # Enthalpy of formation: -2312.992 #kJ/mol #05GAM/BUG - -analytic -5.64807E+0 0E+0 -5.58116E+2 0E+0 0E+0 +Ni(CO3):5.5H2O = +1.000Ni+2 +1.000CO3-2 +5.500H2O + log_k -7.52 + delta_h +10.687 #kJ/mol +# Enthalpy of formation: -2312.992 kJ/mol + -analytic -56.47718E-1 00.00000E+0 -55.82209E+1 00.00000E+0 00.00000E+0 + +Ni(cr) +Ni = +1.000Ni+2 +2.000e- + log_k +8.02 + delta_h -55.012 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 05GAM/BUG + -analytic -16.17689E-1 00.00000E+0 28.73477E+2 00.00000E+0 00.00000E+0 Ni(IO3)2(beta) -Ni(IO3)2 = 1.000Ni+2 + 2.000IO3- - log_k -4.430 - delta_h -7.300 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -487.112 #kJ/mol - -analytic -5.7089E+0 0E+0 3.81305E+2 0E+0 0E+0 +Ni(IO3)2 = +1.000Ni+2 +2.000IO3- + log_k -4.43 + delta_h -7.300 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -487.112 kJ/mol + -analytic -57.08905E-1 00.00000E+0 38.13056E+1 00.00000E+0 00.00000E+0 Ni(IO3)2:2H2O(cr) -Ni(IO3)2:2H2O = 1.000Ni+2 + 2.000IO3- + 2.000H2O - log_k -5.140 - delta_h 21.600 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -1087.672 #kJ/mol - -analytic -1.35585E+0 0E+0 -1.12824E+3 0E+0 0E+0 +Ni(IO3)2:2H2O = +1.000Ni+2 +2.000IO3- +2.000H2O + log_k -5.14 + delta_h +21.600 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -1087.672 kJ/mol + -analytic -13.55842E-1 00.00000E+0 -11.28247E+2 00.00000E+0 00.00000E+0 Ni(OH)2(s) -Ni(OH)2 = 1.000Ni+2 - 2.000H+ + 2.000H2O - log_k 11.030 - delta_h -84.390 #kJ/mol - # Enthalpy of formation: -542.3 #kJ/mol #05GAM/BUG - -analytic -3.75447E+0 0E+0 4.40799E+3 0E+0 0E+0 +Ni(OH)2 = +1.000Ni+2 -2.000H+ +2.000H2O + log_k +11.03 + delta_h -84.389 #kJ/mol +# Enthalpy of formation: -542.282 kJ/mol + -analytic -37.54318E-1 00.00000E+0 44.07944E+2 00.00000E+0 00.00000E+0 + +Ni(SeO3):2H2O(cr) +Ni(SeO3):2H2O = +1.000Ni+2 +1.000SeO3-2 +2.000H2O + log_k -5.80 #05OLI/NOL + delta_h -24.502 #kJ/mol +# Enthalpy of formation: -1109.330 kJ/mol 05OLI/NOL + -analytic -10.09257E+0 00.00000E+0 12.79829E+2 00.00000E+0 00.00000E+0 + +Ni(SeO4):6H2O(s) +Ni(SeO4):6H2O = +1.000Ni+2 +1.000SeO4-2 +6.000H2O + log_k -1.38 #05OLI/NOL + delta_h -3.791 #kJ/mol +# Enthalpy of formation: -2369.699 kJ/mol + -analytic -20.44155E-1 00.00000E+0 19.80177E+1 00.00000E+0 00.00000E+0 + +Ni(SiO3)(s) +Ni(SiO3) = +1.000Ni+2 -2.000H+ +1.000H4(SiO4) -1.000H2O + log_k -1.78 + -analytic -17.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Ni(SO4)(cr) -Ni(SO4) = 1.000Ni+2 + 1.000SO4-2 - log_k 4.750 #05GAM/BUG - delta_h -91.072 #kJ/mol - # Enthalpy of formation: -873.28 #kJ/mol #05GAM/BUG - -analytic -1.12051E+1 0E+0 4.75701E+3 0E+0 0E+0 +Ni(SO4) = +1.000Ni+2 +1.000SO4-2 + log_k +4.75 + delta_h -91.072 #kJ/mol +# Enthalpy of formation: -873.280 kJ/mol 05GAM/BUG + -analytic -11.20513E+0 00.00000E+0 47.57022E+2 00.00000E+0 00.00000E+0 Ni(SO4):6H2O(s) -Ni(SO4):6H2O = 1.000Ni+2 + 1.000SO4-2 + 6.000H2O - log_k -2.250 #05GAM/BUG - delta_h 4.485 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -2683.817 #kJ/mol - -analytic -1.46426E+0 0E+0 -2.34268E+2 0E+0 0E+0 +Ni(SO4):6H2O = +1.000Ni+2 +1.000SO4-2 +6.000H2O + log_k -2.25 + delta_h +4.485 #kJ/mol +# Enthalpy of formation: -2683.817 kJ/mol 05GAM/BUG + -analytic -14.64262E-1 00.00000E+0 -23.42679E+1 00.00000E+0 00.00000E+0 Ni(SO4):7H2O(s) -Ni(SO4):7H2O = 1.000Ni+2 + 1.000SO4-2 + 7.000H2O - log_k -2.270 #05GAM/BUG - delta_h 12.167 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -2977.329 #kJ/mol - -analytic -1.38436E-1 0E+0 -6.35526E+2 0E+0 0E+0 - -Ni(SeO3):2H2O(cr) -Ni(SeO3):2H2O = 1.000Ni+2 + 1.000SeO3-2 + 2.000H2O - log_k -5.800 #05OLI/NOL - delta_h -24.502 #kJ/mol - # Enthalpy of formation: -1109.33 #kJ/mol #05OLI/NOL - -analytic -1.00926E+1 0E+0 1.27983E+3 0E+0 0E+0 - -Ni(SeO4):6H2O(s) -Ni(SeO4):6H2O = 1.000Ni+2 + 1.000SeO4-2 + 6.000H2O - log_k -1.381 #05OLI/NOL - delta_h -3.787 #kJ/mol - # Enthalpy of formation: -2369.705 #kJ/mol - -analytic -2.04445E+0 0E+0 1.97808E+2 0E+0 0E+0 - -#Ni(SiO3)(s) -#Ni(SiO3) = 1.000Ni+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O - # log_k - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 - -Ni(s) -Ni = 1.000Ni+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 51.010 - delta_h -334.775 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #05GAM/BUG - -analytic -7.63998E+0 0E+0 1.74865E+4 0E+0 0E+0 +Ni(SO4):7H2O = +1.000Ni+2 +1.000SO4-2 +7.000H2O + log_k -2.27 + delta_h +12.167 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -2977.329 kJ/mol + -analytic -13.84331E-2 00.00000E+0 -63.55267E+1 00.00000E+0 00.00000E+0 Ni0.88Se(cr) -Ni0.88Se = 0.880Ni+2 - 0.760H+ + 1.000HSe- - 0.120H2O + 0.060O2 - log_k -17.919 - delta_h 69.261 #kJ/mol - # Enthalpy of formation: -69.8 #kJ/mol #05OLI/NOL - -analytic -5.78489E+0 0E+0 -3.61773E+3 0E+0 0E+0 +Ni0.88Se = +0.880Ni+2 -1.000H+ -0.240e- +1.000HSe- + log_k -12.76 + delta_h +35.689 #kJ/mol +# Enthalpy of formation: -69.800 kJ/mol 05OLI/NOL + -analytic -65.07556E-1 00.00000E+0 -18.64166E+2 00.00000E+0 00.00000E+0 Ni11As8(cr) -Ni11As8 = 11.000Ni+2 + 2.000H+ + 8.000AsO4-3 - 1.000H2O - 15.500O2 - log_k 874.760 - delta_h -6493.345 #kJ/mol - # Enthalpy of formation: -743 #kJ/mol #05GAM/BUG - -analytic -2.62824E+2 0E+0 3.39171E+5 0E+0 0E+0 +Ni11As8 = +11.000Ni+2 +64.000H+ +62.000e- +8.000AsO4-3 -32.000H2O + log_k -457.93 + delta_h +2179.308 #kJ/mol +# Enthalpy of formation: -743.000 kJ/mol 05GAM/BUG + -analytic -76.13163E+0 00.00000E+0 -11.38332E+4 00.00000E+0 00.00000E+0 Ni2(Pyrophos)(cr) -Ni2(Pyrophos) = 2.000Ni+2 + 1.000Pyrophos-4 - log_k -9.820 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -9.82E+0 0E+0 0E+0 0E+0 0E+0 +Ni2(Pyrophos) = +2.000Ni+2 +1.000Pyrophos-4 + log_k -9.82 + -analytic -98.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Ni3(AsO3)2(s) -Ni3(AsO3)2 = 3.000Ni+2 + 2.000AsO4-3 - 1.000O2 - log_k 34.500 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.45E+1 0E+0 0E+0 0E+0 0E+0 +Ni3(AsO3)2 = +3.000Ni+2 +4.000H+ +4.000e- +2.000AsO4-3 -2.000H2O + log_k -51.48 + -analytic -51.48000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Ni3(AsO4)2:8H2O(s) -Ni3(AsO4)2:8H2O = 3.000Ni+2 + 2.000AsO4-3 + 8.000H2O - log_k -28.100 #05GAM/BUG - delta_h -48.956 #kJ/mol - # Enthalpy of formation: -4179 #kJ/mol #05GAM/BUG - -analytic -3.66767E+1 0E+0 2.55715E+3 0E+0 0E+0 +Ni3(AsO4)2:8H2O = +3.000Ni+2 +2.000AsO4-3 +8.000H2O + log_k -28.10 #05GAM/BUG + delta_h -48.956 #kJ/mol +# Enthalpy of formation: -4179.000 kJ/mol 05GAM/BUG + -analytic -36.67672E+0 00.00000E+0 25.57150E+2 00.00000E+0 00.00000E+0 Ni3(PO4)2(cr) -Ni3(PO4)2 = 3.000Ni+2 - 4.000H+ + 2.000H2(PO4)- - log_k 10.253 - delta_h -188.236 #kJ/mol - # Enthalpy of formation: -2582 #kJ/mol #89BAE/McK - -analytic -2.27245E+1 0E+0 9.83224E+3 0E+0 0E+0 - -#Ni3O4(s) -#Ni3O4 = 3.000Ni+2 - 6.000H+ + 3.000H2O + 0.500O2 - # log_k - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -819.308 #kJ/mol - # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 +Ni3(PO4)2 = +3.000Ni+2 -4.000H+ +2.000H2(PO4)- + log_k +10.25 + delta_h -188.236 #kJ/mol +# Enthalpy of formation: -2582.000 kJ/mol 89BAE/McK + -analytic -22.72753E+0 00.00000E+0 98.32251E+2 00.00000E+0 00.00000E+0 + +Ni3O4(s) +Ni3O4 = +3.000Ni+2 -8.000H+ -2.000e- +4.000H2O + log_k +65.50 + delta_h -489.045 #kJ/mol +# Enthalpy of formation: -819.308 kJ/mol + -analytic -20.17701E+0 00.00000E+0 25.54460E+3 00.00000E+0 00.00000E+0 Ni5As2(cr) -Ni5As2 = 5.000Ni+2 - 4.000H+ + 2.000AsO4-3 + 2.000H2O - 5.000O2 - log_k 323.170 - delta_h -2317.670 #kJ/mol - # Enthalpy of formation: -244.66 #kJ/mol #05GAM/BUG - -analytic -8.28678E+1 0E+0 1.2106E+5 0E+0 0E+0 +Ni5As2 = +5.000Ni+2 +16.000H+ +20.000e- +2.000AsO4-3 -8.000H2O + log_k -106.73 + delta_h +479.960 #kJ/mol +# Enthalpy of formation: -244.660 kJ/mol 05GAM/BUG + -analytic -22.64462E+0 00.00000E+0 -25.07006E+3 00.00000E+0 00.00000E+0 NiAs(cr) -NiAs = 1.000Ni+2 + 1.000H+ + 1.000AsO4-3 - 0.500H2O - 1.750O2 - log_k 94.225 - delta_h -708.183 #kJ/mol - # Enthalpy of formation: -70.82 #kJ/mol #05GAM/BUG - -analytic -2.98431E+1 0E+0 3.69909E+4 0E+0 0E+0 +NiAs = +1.000Ni+2 +8.000H+ +7.000e- +1.000AsO4-3 -4.000H2O + log_k -56.24 + delta_h +270.988 #kJ/mol +# Enthalpy of formation: -70.820 kJ/mol 05GAM/BUG + -analytic -87.64940E-1 00.00000E+0 -14.15469E+3 00.00000E+0 00.00000E+0 NiBr2(s) -NiBr2 = 1.000Ni+2 + 2.000Br- - log_k 10.170 - delta_h -84.332 #kJ/mol - # Enthalpy of formation: -213.5 #kJ/mol #05GAM/BUG - -analytic -4.60431E+0 0E+0 4.40496E+3 0E+0 0E+0 +NiBr2 = +1.000Ni+2 +2.000Br- + log_k +10.17 + delta_h -84.332 #kJ/mol +# Enthalpy of formation: -213.500 kJ/mol 05GAM/BUG + -analytic -46.04332E-1 00.00000E+0 44.04967E+2 00.00000E+0 00.00000E+0 NiCl2(s) -NiCl2 = 1.000Ni+2 + 2.000Cl- - log_k 8.670 - delta_h -84.272 #kJ/mol - # Enthalpy of formation: -304.9 #kJ/mol #05GAM/BUG - -analytic -6.0938E+0 0E+0 4.40183E+3 0E+0 0E+0 +NiCl2 = +1.000Ni+2 +2.000Cl- + log_k +8.67 + delta_h -84.272 #kJ/mol +# Enthalpy of formation: -304.900 kJ/mol 05GAM/BUG + -analytic -60.93821E-1 00.00000E+0 44.01833E+2 00.00000E+0 00.00000E+0 NiCl2:2H2O(s) -NiCl2:2H2O = 1.000Ni+2 + 2.000Cl- + 2.000H2O - log_k 4.920 - delta_h -47.461 #kJ/mol - # Enthalpy of formation: -913.371 #kJ/mol - -analytic -3.3948E+0 0E+0 2.47906E+3 0E+0 0E+0 +NiCl2:2H2O = +1.000Ni+2 +2.000Cl- +2.000H2O + log_k +4.92 + delta_h -47.458 #kJ/mol +# Enthalpy of formation: -913.372 kJ/mol + -analytic -33.94285E-1 00.00000E+0 24.78904E+2 00.00000E+0 00.00000E+0 NiCl2:4H2O(s) -NiCl2:4H2O = 1.000Ni+2 + 2.000Cl- + 4.000H2O - log_k 3.820 - delta_h -18.444 #kJ/mol #05GAM/BUG - # Enthalpy of formation: -1514.048 #kJ/mol - -analytic 5.88755E-1 0E+0 9.63396E+2 0E+0 0E+0 +NiCl2:4H2O = +1.000Ni+2 +2.000Cl- +4.000H2O + log_k +3.82 + delta_h -18.444 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -1514.048 kJ/mol + -analytic 58.87499E-2 00.00000E+0 96.33972E+1 00.00000E+0 00.00000E+0 NiCl2:6H2O(s) -NiCl2:6H2O = 1.000Ni+2 + 2.000Cl- + 6.000H2O - log_k 3.040 - delta_h 0.548 #kJ/mol - # Enthalpy of formation: -2104.7 #kJ/mol #05GAM/BUG - -analytic 3.13601E+0 0E+0 -2.8624E+1 0E+0 0E+0 +NiCl2:6H2O = +1.000Ni+2 +2.000Cl- +6.000H2O + log_k +3.04 + delta_h +0.548 #kJ/mol +# Enthalpy of formation: -2104.700 kJ/mol 05GAM/BUG + -analytic 31.36005E-1 00.00000E+0 -28.62403E+0 00.00000E+0 00.00000E+0 NiF2(s) -NiF2 = 1.000Ni+2 + 2.000F- - log_k -0.180 - delta_h -68.412 #kJ/mol - # Enthalpy of formation: -657.3 #kJ/mol #05GAM/BUG - -analytic -1.21653E+1 0E+0 3.5734E+3 0E+0 0E+0 +NiF2 = +1.000Ni+2 +2.000F- + log_k -0.18 + delta_h -68.412 #kJ/mol +# Enthalpy of formation: -657.300 kJ/mol 05GAM/BUG + -analytic -12.16527E+0 00.00000E+0 35.73408E+2 00.00000E+0 00.00000E+0 NiI2(s) -NiI2 = 1.000Ni+2 + 2.000I- - log_k 9.610 - delta_h -72.152 #kJ/mol - # Enthalpy of formation: -96.42 #kJ/mol #05GAM/BUG - -analytic -3.03047E+0 0E+0 3.76876E+3 0E+0 0E+0 +NiI2 = +1.000Ni+2 +2.000I- + log_k +9.61 + delta_h -72.152 #kJ/mol +# Enthalpy of formation: -96.420 kJ/mol 05GAM/BUG + -analytic -30.30488E-1 00.00000E+0 37.68761E+2 00.00000E+0 00.00000E+0 NiSe2(cr) -NiSe2 = 1.000Ni+2 + 2.000HSe- - 1.000H2O + 0.500O2 - log_k -69.890 - delta_h 368.851 #kJ/mol - # Enthalpy of formation: -115.5 #kJ/mol #05OLI/NOL - -analytic -5.27017E+0 0E+0 -1.92664E+4 0E+0 0E+0 +NiSe2 = +1.000Ni+2 -2.000H+ -2.000e- +2.000HSe- + log_k -26.90 + delta_h +89.088 #kJ/mol +# Enthalpy of formation: -115.500 kJ/mol 05OLI/NOL + -analytic -11.29245E+0 00.00000E+0 -46.53390E+2 00.00000E+0 00.00000E+0 + +Nontronite_Nau-2 +Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 = +0.247Ca+2 +0.068Mg+2 +0.020K+ +1.688Fe+3 +0.818Al+3 -8.168H+ +3.458H4(SiO4) -1.832H2O + log_k +1.30 + delta_h -189.304 #kJ/mol +# Enthalpy of formation: -5035.690 kJ/mol 13GAI/BLA + -analytic -31.86464E+0 00.00000E+0 98.88037E+2 00.00000E+0 00.00000E+0 + -Vm 136.380 Nontronite-Ca -Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.170Ca+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k -2.830 - delta_h -145.927 #kJ/mol - # Enthalpy of formation: -4982.32 #kJ/mol #15BLA/VIE - -analytic -2.83953E+1 0E+0 7.62229E+3 0E+0 0E+0 +Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 = +0.170Ca+2 +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O + log_k -2.86 + delta_h -147.690 #kJ/mol +# Enthalpy of formation: -4982.320 kJ/mol 15BLA/VIE + -analytic -28.73418E+0 00.00000E+0 77.14386E+2 00.00000E+0 00.00000E+0 + -Vm 133.740 Nontronite-K -K0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.340K+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k -4.000 - delta_h -127.394 #kJ/mol - # Enthalpy of formation: -4994.27 #kJ/mol #15BLA/VIE - -analytic -2.63184E+1 0E+0 6.65424E+3 0E+0 0E+0 +K0.34Fe1.67Al0.67Si3.66O10(OH)2 = +0.340K+ +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O + log_k -4.03 + delta_h -129.158 #kJ/mol +# Enthalpy of formation: -4994.270 kJ/mol 15BLA/VIE + -analytic -26.65751E+0 00.00000E+0 67.46392E+2 00.00000E+0 00.00000E+0 + -Vm 132.850 Nontronite-Mg -Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.170Mg+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k -3.370 - delta_h -147.107 #kJ/mol - # Enthalpy of formation: -4968.22 #kJ/mol #15BLA/VIE - -analytic -2.9142E+1 0E+0 7.68392E+3 0E+0 0E+0 +Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 = +0.170Mg+2 +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O + log_k -3.41 + delta_h -148.870 #kJ/mol +# Enthalpy of formation: -4968.220 kJ/mol 15BLA/VIE + -analytic -29.49090E+0 00.00000E+0 77.76022E+2 00.00000E+0 00.00000E+0 + -Vm 129.740 Nontronite-Na -Na0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.340Na+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k -3.500 - delta_h -136.012 #kJ/mol - # Enthalpy of formation: -4981.64 #kJ/mol #15BLA/VIE - -analytic -2.73282E+1 0E+0 7.10439E+3 0E+0 0E+0 +Na0.34Fe1.67Al0.67Si3.66O10(OH)2 = +0.340Na+ +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O + log_k -3.53 + delta_h -137.776 #kJ/mol +# Enthalpy of formation: -4981.640 kJ/mol 15BLA/VIE + -analytic -27.66732E+0 00.00000E+0 71.96542E+2 00.00000E+0 00.00000E+0 + -Vm 132.120 -Nontronite_Nau-2 -Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 = 0.247Ca+2 + 0.068Mg+2 + 0.020K+ + 1.688Fe+3 + 0.818Al+3 + 3.458H4(SiO4) - 1.832H2O - 8.168H+ - log_k 1.350 - delta_h -187.521 #kJ/mol - # Enthalpy of formation: -5035.69 #kJ/mol #13GAI/BLA - -analytic -3.15022E+1 0E+0 9.79489E+3 0E+0 0E+0 - -Np(CO3)(OH)(s) -Np(CO3)(OH) = 1.000Np+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O - log_k -6.060 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.06E+0 0E+0 0E+0 0E+0 0E+0 +Np(cr) +Np = +1.000Np+3 +3.000e- + log_k +89.85 + delta_h -527.184 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 01LEM/FUG + -analytic -25.08672E-1 00.00000E+0 27.53674E+3 00.00000E+0 00.00000E+0 Np(HPO4)2(s) -Np(HPO4)2 = 1.000Np+4 - 2.000H+ + 2.000H2(PO4)- - log_k -16.060 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.606E+1 0E+0 0E+0 0E+0 0E+0 +Np(HPO4)2 = +1.000Np+4 -2.000H+ +2.000H2(PO4)- + log_k -16.06 #Estimated by correlation with An(III) in function of ionic radii + -analytic -16.06000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Np(OH)3(s) -Np(OH)3 = 1.000Np+3 - 3.000H+ + 3.000H2O - log_k 18.000 #80ALL/KIP - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.8E+1 0E+0 0E+0 0E+0 0E+0 - -Np(cr) -Np = 1.000Np+3 + 1.500H2O - 3.000H+ - 0.750O2 - log_k 154.335 - delta_h -946.829 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #01LEM/FUG - -analytic -1.1542E+1 0E+0 4.94562E+4 0E+0 0E+0 +Np(OH)3 = +1.000Np+3 -3.000H+ +3.000H2O + log_k +18.00 #80ALL/KIP + -analytic 18.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Np2O5(cr) -Np2O5 = 2.000NpO2+ - 2.000H+ + 1.000H2O - log_k 3.700 - delta_h -79.492 #kJ/mol - # Enthalpy of formation: -2162.7 #kJ/mol #01LEM/FUG - -analytic -1.02264E+1 0E+0 4.15215E+3 0E+0 0E+0 - -NpO2(CO3)(s) -NpO2(CO3) = 1.000NpO2+2 + 1.000CO3-2 - log_k -14.600 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.46E+1 0E+0 0E+0 0E+0 0E+0 - -NpO2(CO3)2Na3(s) -NpO2(CO3)2Na3 = 3.000Na+ + 1.000NpO2+ + 2.000CO3-2 - log_k -14.220 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.422E+1 0E+0 0E+0 0E+0 0E+0 - -NpO2(CO3)Na:3.5H2O(s) -NpO2(CO3)Na:3.5H2O = 1.000Na+ + 1.000NpO2+ + 1.000CO3-2 + 3.500H2O - log_k -11.000 #03GUI/FAN - delta_h 30.995 #kJ/mol - # Enthalpy of formation: -2925.151 #kJ/mol - -analytic -5.56992E+0 0E+0 -1.61898E+3 0E+0 0E+0 - -NpO2(NH4)4(CO3)3(s) -NpO2(NH4)4(CO3)3 = 1.000NpO2+2 + 4.000H+ + 3.000CO3-2 + 4.000NH3 - log_k -26.810 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.681E+1 0E+0 0E+0 0E+0 0E+0 - -NpO2(s) -NpO2 = 1.000Np+4 - 4.000H+ + 2.000H2O - log_k -9.750 - delta_h -53.682 #kJ/mol - # Enthalpy of formation: -1074 #kJ/mol #01LEM/FUG - -analytic -1.91547E+1 0E+0 2.804E+3 0E+0 0E+0 +Np2O5 = +2.000NpO2+ -2.000H+ +1.000H2O + log_k +3.07 + delta_h -79.492 #kJ/mol +# Enthalpy of formation: -2162.700 kJ/mol 01LEM/FUG + -analytic -10.85640E+0 00.00000E+0 41.52156E+2 00.00000E+0 00.00000E+0 + +NpCO3OH(s) +Np(CO3)(OH) = +1.000Np+3 -1.000H+ +1.000CO3-2 +1.000H2O + log_k -6.35 #Estimated using the data for AmCO3OH(s) and the trend versus r identified for AnCO3OH·0.5H2O(s)(orthorhombic). + -analytic -63.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +NpO2(cr) +NpO2 = +1.000Np+4 -4.000H+ +2.000H2O + log_k -9.75 + delta_h -53.682 #kJ/mol +# Enthalpy of formation: -1074.000 kJ/mol 01LEM/FUG + -analytic -19.15468E+0 00.00000E+0 28.04006E+2 00.00000E+0 00.00000E+0 + +NpO2(OH)2:H2O(cr) +NpO2(OH)2:H2O = +1.000NpO2+2 -2.000H+ +3.000H2O + log_k +5.47 #20GRE/GAO + -analytic 54.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 NpO2:2H2O(am) -NpO2:2H2O = 1.000Np+4 - 4.000H+ + 4.000H2O - log_k -0.700 #03GUI/FAN - delta_h -81.156 #kJ/mol - # Enthalpy of formation: -1618.186 #kJ/mol - -analytic -1.49179E+1 0E+0 4.23907E+3 0E+0 0E+0 - -NpO2OH(am,aged) -NpO2OH = 1.000NpO2+ - 1.000H+ + 1.000H2O - log_k 4.700 #01LEM/FUG - delta_h -41.111 #kJ/mol - # Enthalpy of formation: -1222.9 #kJ/mol #01LEM/FUG - -analytic -2.50233E+0 0E+0 2.14737E+3 0E+0 0E+0 - -NpO2OH(am,fresh) -NpO2OH = 1.000NpO2+ - 1.000H+ + 1.000H2O - log_k 5.300 #01LEM/FUG - delta_h -41.111 #kJ/mol - # Enthalpy of formation: -1222.9 #kJ/mol #01LEM/FUG - -analytic -1.90233E+0 0E+0 2.14737E+3 0E+0 0E+0 - -NpO3:H2O(cr) -NpO3:H2O = 1.000NpO2+2 - 2.000H+ + 2.000H2O - log_k 5.470 #01LEM/FUG - delta_h -52.240 #kJ/mol - # Enthalpy of formation: -1380.153 #kJ/mol - -analytic -3.68204E+0 0E+0 2.72868E+3 0E+0 0E+0 +NpO2:2H2O = +1.000Np+4 -4.000H+ +4.000H2O + log_k -0.70 #03GUI/FAN + delta_h -81.154 #kJ/mol +# Enthalpy of formation: -1618.186 kJ/mol + -analytic -14.91757E+0 00.00000E+0 42.38969E+2 00.00000E+0 00.00000E+0 + +NpO2CO3(cr) +NpO2CO3 = +1.000NpO2+2 +1.000CO3-2 + log_k -14.83 #20GRE/GAO + -analytic -14.83000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +NpO2OH(am) +NpO2OH = +1.000NpO2+ -1.000H+ +1.000H2O + log_k +5.30 #01LEM/FUG + delta_h -41.111 #kJ/mol +# Enthalpy of formation: -1222.900 kJ/mol 01LEM/FUG + -analytic -19.02338E-1 00.00000E+0 21.47377E+2 00.00000E+0 00.00000E+0 Okenite -CaSi2O5:2H2O = 1.000Ca+2 - 2.000H+ + 2.000H4(SiO4) - 1.000H2O - log_k 9.180 - delta_h -44.388 #kJ/mol - # Enthalpy of formation: -3135.17 #kJ/mol #10BLA/BOU1 - -analytic 1.40357E+0 0E+0 2.31854E+3 0E+0 0E+0 - -#Olivine -#Ni2(SiO4) = 2.000Ni+2 - 4.000H+ + 1.000H4(SiO4) - # log_k - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: -1396 #kJ/mol #05GAM/BUG - # -analytic 0E+0 0E+0 0E+0 0E+0 0E+0 +CaSi2O5:2H2O = +1.000Ca+2 -2.000H+ +2.000H4(SiO4) -1.000H2O + log_k +9.18 + delta_h -44.388 #kJ/mol +# Enthalpy of formation: -3135.170 kJ/mol 10BLA/BOU1 + -analytic 14.03556E-1 00.00000E+0 23.18547E+2 00.00000E+0 00.00000E+0 + -Vm 94.770 + +Olivine +Ni2(SiO4) = +2.000Ni+2 -4.000H+ +1.000H4(SiO4) + log_k +19.68 + delta_h -175.218 #kJ/mol +# Enthalpy of formation: -1396.000 kJ/mol 05GAM/BUG + -analytic -11.01688E+0 00.00000E+0 91.52274E+2 00.00000E+0 00.00000E+0 Orpiment -As2S3 = 9.000H+ + 3.000HS- + 2.000AsO4-3 - 6.000H2O - 1.000O2 - log_k -41.480 - delta_h -6.843 #kJ/mol - # Enthalpy of formation: -91.223 #kJ/mol - -analytic -4.26788E+1 0E+0 3.57434E+2 0E+0 0E+0 +As2S3 = +13.000H+ +4.000e- +3.000HS- +2.000AsO4-3 -8.000H2O + log_k -127.46 + delta_h +552.680 #kJ/mol +# Enthalpy of formation: -91.223 kJ/mol + -analytic -30.63462E+0 00.00000E+0 -28.86849E+3 00.00000E+0 00.00000E+0 P(cr) -P = 1.000H+ + 1.000H2(PO4)- - 1.500H2O - 1.250O2 - log_k 140.515 - delta_h -858.688 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -9.92037E+0 0E+0 4.48523E+4 0E+0 0E+0 +P = +6.000H+ +5.000e- +1.000H2(PO4)- -4.000H2O + log_k +33.04 + delta_h -159.280 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 51.35342E-1 00.00000E+0 83.19774E+2 00.00000E+0 00.00000E+0 Pa(cr) -Pa = 1.000Pa+4 + 2.000H2O - 4.000H+ - 1.000O2 - log_k 184.730 - delta_h -1179.526 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #85BAR/PAR - -analytic -2.19138E+1 0E+0 6.16108E+4 0E+0 0E+0 +Pa = +4.000e- +1.000Pa+4 + log_k +98.75 + delta_h -620.000 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 85BAR/PAR + -analytic -98.69337E-1 00.00000E+0 32.38486E+3 00.00000E+0 00.00000E+0 Pa2O5(s) -Pa2O5 = - 2.000H+ + 2.000PaO2+ + 1.000H2O - log_k -4.000 #76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4E+0 0E+0 0E+0 0E+0 0E+0 +Pa2O5 = -2.000H+ +2.000PaO2+ +1.000H2O + log_k -4.00 #76BAE/MES; Uncertainty to include available data. + -analytic -40.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 PaO2(s) -PaO2 = - 4.000H+ + 1.000Pa+4 + 2.000H2O - log_k 0.600 #76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6E-1 0E+0 0E+0 0E+0 0E+0 +PaO2 = -4.000H+ +1.000Pa+4 +2.000H2O + log_k +0.60 #76BAE/MES + -analytic 60.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Paragonite -NaAl3Si3O10(OH)2 = 1.000Na+ + 3.000Al+3 - 10.000H+ + 3.000H4(SiO4) - log_k 16.800 - delta_h -301.622 #kJ/mol - # Enthalpy of formation: -5937.5 #kJ/mol #96ROU/HOV - -analytic -3.60418E+1 0E+0 1.57548E+4 0E+0 0E+0 +NaAl3Si3O10(OH)2 = +1.000Na+ +3.000Al+3 -10.000H+ +3.000H4(SiO4) + log_k +16.79 + delta_h -301.622 #kJ/mol +# Enthalpy of formation: -5937.500 kJ/mol 96ROU/HOV + -analytic -36.05191E+0 00.00000E+0 15.75481E+3 00.00000E+0 00.00000E+0 + -Vm 132.100 Paralaurionite -PbCl(OH) = 1.000Pb+2 - 1.000H+ + 1.000Cl- + 1.000H2O - log_k 0.620 #99LOT/OCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 6.2E-1 0E+0 0E+0 0E+0 0E+0 +PbCl(OH) = +1.000Pb+2 -1.000H+ +1.000Cl- +1.000H2O + log_k +0.62 #99LOT/OCH + -analytic 62.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Pb(cr) +Pb = +1.000Pb+2 +2.000e- + log_k +4.25 + delta_h +0.920 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 44.11177E-1 00.00000E+0 -48.05495E+0 00.00000E+0 00.00000E+0 Pb(H2PO4)2(cr) -Pb(H2PO4)2 = 1.000Pb+2 + 2.000H2(PO4)- - log_k -9.840 #74NRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -9.84E+0 0E+0 0E+0 0E+0 0E+0 +Pb(H2PO4)2 = +1.000Pb+2 +2.000H2(PO4)- + log_k -9.84 #74NRI + -analytic -98.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Pb(HPO4)(s) -Pb(HPO4) = 1.000Pb+2 - 1.000H+ + 1.000H2(PO4)- - log_k -4.250 #74NRI - delta_h 16.436 #kJ/mol - # Enthalpy of formation: -1318.116 #kJ/mol - -analytic -1.37054E+0 0E+0 -8.58511E+2 0E+0 0E+0 +Pb(HPO4) = +1.000Pb+2 -1.000H+ +1.000H2(PO4)- + log_k -4.25 #74NRI + delta_h +16.436 #kJ/mol +# Enthalpy of formation: -1318.115 kJ/mol + -analytic -13.70536E-1 00.00000E+0 -85.85121E+1 00.00000E+0 00.00000E+0 Pb(OH)2(s) -Pb(OH)2 = 1.000Pb+2 - 2.000H+ + 2.000H2O - log_k 13.510 - delta_h -56.140 #kJ/mol - # Enthalpy of formation: -514.6 #kJ/mol #52LAT - -analytic 3.67471E+0 0E+0 2.93239E+3 0E+0 0E+0 +Pb(OH)2 = +1.000Pb+2 -2.000H+ +2.000H2O + log_k +13.51 + delta_h -56.140 #kJ/mol +# Enthalpy of formation: -514.600 kJ/mol 52LAT; Uncertainty to cover available data. + -analytic 36.74694E-1 00.00000E+0 29.32396E+2 00.00000E+0 00.00000E+0 + +Pb(Ox)(cr) +Pb(Ox) = +1.000Pb+2 +1.000Ox-2 + log_k -11.13 #13XIO/KIR + -analytic -11.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Pb(SeO3)(s) -Pb(SeO3) = 1.000Pb+2 + 1.000SeO3-2 - log_k -12.500 #05OLI/NOL - delta_h 25.840 #kJ/mol - # Enthalpy of formation: -532.08 #kJ/mol #05OLI/NOL - -analytic -7.97303E+0 0E+0 -1.34972E+3 0E+0 0E+0 +Pb(SeO3) = +1.000Pb+2 +1.000SeO3-2 + log_k -12.50 #05OLI/NOL + delta_h +25.840 #kJ/mol +# Enthalpy of formation: -532.080 kJ/mol 05OLI/NOL + -analytic -79.73026E-1 00.00000E+0 -13.49717E+2 00.00000E+0 00.00000E+0 Pb(SeO4)(s) -Pb(SeO4) = 1.000Pb+2 + 1.000SeO4-2 - log_k -6.900 #05OLI/NOL - delta_h 4.720 #kJ/mol #05OLI/NOL - # Enthalpy of formation: -607.3 #kJ/mol - -analytic -6.07309E+0 0E+0 -2.46542E+2 0E+0 0E+0 - -Pb(cr) -Pb = 1.000Pb+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 47.240 - delta_h -278.843 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -1.61112E+0 0E+0 1.4565E+4 0E+0 0E+0 +Pb(SeO4) = +1.000Pb+2 +1.000SeO4-2 + log_k -6.90 #05OLI/NOL + delta_h +4.720 #kJ/mol 05OLI/NOL +# Enthalpy of formation: -607.300 kJ/mol + -analytic -60.73091E-1 00.00000E+0 -24.65428E+1 00.00000E+0 00.00000E+0 Pb2(SiO4)(s) -Pb2(SiO4) = 2.000Pb+2 - 4.000H+ + 1.000H4(SiO4) - log_k 15.890 - delta_h -81.474 #kJ/mol - # Enthalpy of formation: -1377.88 #kJ/mol #98CHA - -analytic 1.61639E+0 0E+0 4.25568E+3 0E+0 0E+0 +Pb2(SiO4) = +2.000Pb+2 -4.000H+ +1.000H4(SiO4) + log_k +15.89 + delta_h -81.474 #kJ/mol +# Enthalpy of formation: -1377.880 kJ/mol 98CHA + -analytic 16.16368E-1 00.00000E+0 42.55683E+2 00.00000E+0 00.00000E+0 Pb3(AsO4)2(s) -Pb3(AsO4)2 = 3.000Pb+2 + 2.000AsO4-3 - log_k -35.400 #74NAU/RYZ - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.54E+1 0E+0 0E+0 0E+0 0E+0 +Pb3(AsO4)2 = +3.000Pb+2 +2.000AsO4-3 + log_k -35.40 #74NAU/RYZ + -analytic -35.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Pb3(PO4)2(s) -Pb3(PO4)2 = 3.000Pb+2 - 4.000H+ + 2.000H2(PO4)- - log_k -5.260 #74NRI - delta_h -3.548 #kJ/mol - # Enthalpy of formation: -2598.892 #kJ/mol - -analytic -5.88158E+0 0E+0 1.85325E+2 0E+0 0E+0 +Pb3(PO4)2 = +3.000Pb+2 -4.000H+ +2.000H2(PO4)- + log_k -5.26 #74NRI + delta_h -3.548 #kJ/mol +# Enthalpy of formation: -2598.892 kJ/mol + -analytic -58.81583E-1 00.00000E+0 18.53249E+1 00.00000E+0 00.00000E+0 Pb4O(PO4)2(cr) -Pb4O(PO4)2 = 4.000Pb+2 - 6.000H+ + 2.000H2(PO4)- + 1.000H2O - log_k 2.240 #74NRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.24E+0 0E+0 0E+0 0E+0 0E+0 +Pb4O(PO4)2 = +4.000Pb+2 -6.000H+ +2.000H2(PO4)- +1.000H2O + log_k +2.24 #74NRI + -analytic 22.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 PbB2O4(s) -PbB2O4 = 1.000Pb+2 + 2.000B(OH)4- - 4.000H2O - log_k -10.870 #91BAL/NOR - delta_h 2.761 #kJ/mol #91BAL/NOR - # Enthalpy of formation: -1548.753 #kJ/mol - -analytic -1.03863E+1 0E+0 -1.44217E+2 0E+0 0E+0 +PbB2O4 = +1.000Pb+2 +2.000B(OH)4- -4.000H2O + log_k -10.87 #91BAL/NOR + delta_h +2.761 #kJ/mol 91BAL/NOR +# Enthalpy of formation: -1548.753 kJ/mol + -analytic -10.38629E+0 00.00000E+0 -14.42171E+1 00.00000E+0 00.00000E+0 PbF2(s) -PbF2 = 1.000Pb+2 + 2.000F- - log_k -7.520 #99LOT/OCH - delta_h 6.530 #kJ/mol - # Enthalpy of formation: -676.31 #kJ/mol - -analytic -6.37599E+0 0E+0 -3.41085E+2 0E+0 0E+0 +PbF2 = +1.000Pb+2 +2.000F- + log_k -7.52 #99LOT/OCH + delta_h +6.530 #kJ/mol +# Enthalpy of formation: -676.309 kJ/mol + -analytic -63.75993E-1 00.00000E+0 -34.10857E+1 00.00000E+0 00.00000E+0 PbI2(cr) -PbI2 = 1.000Pb+2 + 2.000I- - log_k -8.050 - delta_h 62.801 #kJ/mol - # Enthalpy of formation: -175.441 #kJ/mol - -analytic 2.95225E+0 0E+0 -3.28032E+3 0E+0 0E+0 +PbI2 = +1.000Pb+2 +2.000I- + log_k -8.05 + delta_h +62.816 #kJ/mol +# Enthalpy of formation: -175.456 kJ/mol + -analytic 29.54891E-1 00.00000E+0 -32.81108E+2 00.00000E+0 00.00000E+0 PbMoO4(s) -PbMoO4 = 1.000Pb+2 + 1.000MoO4-2 - log_k -15.800 - delta_h 55.795 #kJ/mol - # Enthalpy of formation: -1051.875 #kJ/mol - -analytic -6.02515E+0 0E+0 -2.91437E+3 0E+0 0E+0 +PbMoO4 = +1.000Pb+2 +1.000MoO4-2 + log_k -15.80 + delta_h +55.795 #kJ/mol +# Enthalpy of formation: -1051.875 kJ/mol + -analytic -60.25136E-1 00.00000E+0 -29.14376E+2 00.00000E+0 00.00000E+0 PbSiO3(Glass) -PbSiO3 = 1.000Pb+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O - log_k 6.600 - delta_h -36.814 #kJ/mol - # Enthalpy of formation: -1137.63 #kJ/mol #74NAU/RYZ - -analytic 1.50474E-1 0E+0 1.92293E+3 0E+0 0E+0 - -Pd(OH)2(s) -Pd(OH)2 = - 2.000H+ + 1.000Pd+2 + 2.000H2O - log_k -1.610 #70NAB/KAL - delta_h 13.223 #kJ/mol - # Enthalpy of formation: -395 #kJ/mol #82WAG/EVA - -analytic 7.06567E-1 0E+0 -6.90684E+2 0E+0 0E+0 +PbSiO3 = +1.000Pb+2 -2.000H+ +1.000H4(SiO4) -1.000H2O + log_k +6.60 + delta_h -36.814 #kJ/mol +# Enthalpy of formation: -1137.630 kJ/mol 74NAU/RYZ + -analytic 15.04641E-2 00.00000E+0 19.22929E+2 00.00000E+0 00.00000E+0 Pd(cr) -Pd = 1.000Pd+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 9.960 #43TEM/WAT - delta_h -89.880 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol - -analytic -5.78628E+0 0E+0 4.69475E+3 0E+0 0E+0 +Pd = +1.000Pd+2 +2.000e- + log_k -33.03 + delta_h +189.889 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 79ROB/HEM in 98SAS/SHO + -analytic 23.71248E-2 00.00000E+0 -99.18593E+2 00.00000E+0 00.00000E+0 + +Pd(OH)2(am) +Pd(OH)2 = -2.000H+ +1.000Pd+2 +2.000H2O + log_k -3.58 #12RAI/YUI + delta_h +13.229 #kJ/mol +# Enthalpy of formation: -395.000 kJ/mol 82WAG/EVA + -analytic -12.62379E-1 00.00000E+0 -69.09988E+1 00.00000E+0 00.00000E+0 PdBr2(cr) -PdBr2 = 1.000Pd+2 + 2.000Br- - log_k -13.310 #89BAE/McK - delta_h 51.263 #kJ/mol - # Enthalpy of formation: -104.2 #kJ/mol #89BAE/McK - -analytic -4.32912E+0 0E+0 -2.67765E+3 0E+0 0E+0 +PdBr2 = +1.000Pd+2 +2.000Br- + log_k -13.31 #89BAE/McK + delta_h +51.269 #kJ/mol +# Enthalpy of formation: -104.200 kJ/mol 89BAE/McK + -analytic -43.28057E-1 00.00000E+0 -26.77966E+2 00.00000E+0 00.00000E+0 PdCl2(cr) -PdCl2 = 1.000Pd+2 + 2.000Cl- - log_k -9.200 - delta_h 54.423 #kJ/mol - # Enthalpy of formation: -198.7 #kJ/mol #82WAG/EVA - -analytic 3.34486E-1 0E+0 -2.84271E+3 0E+0 0E+0 +PdCl2 = +1.000Pd+2 +2.000Cl- + log_k -9.20 + delta_h +54.429 #kJ/mol +# Enthalpy of formation: -198.700 kJ/mol 82WAG/EVA + -analytic 33.55515E-2 00.00000E+0 -28.43025E+2 00.00000E+0 00.00000E+0 PdI2(cr) -PdI2 = 1.000Pd+2 + 2.000I- - log_k -25.870 - delta_h 139.923 #kJ/mol - # Enthalpy of formation: -63.6 #kJ/mol #89BAE/McK - -analytic -1.35658E+0 0E+0 -7.30868E+3 0E+0 0E+0 +PdI2 = +1.000Pd+2 +2.000I- + log_k -25.87 + delta_h +139.929 #kJ/mol +# Enthalpy of formation: -63.600 kJ/mol 89BAE/McK + -analytic -13.55492E-1 00.00000E+0 -73.09001E+2 00.00000E+0 00.00000E+0 PdO(s) -PdO = - 2.000H+ + 1.000Pd+2 + 1.000H2O - log_k -6.020 - delta_h -10.547 #kJ/mol - # Enthalpy of formation: -85.4 #kJ/mol #82WAG/EVA - -analytic -7.86775E+0 0E+0 5.50907E+2 0E+0 0E+0 +PdO = -2.000H+ +1.000Pd+2 +1.000H2O + log_k -6.02 + delta_h -10.541 #kJ/mol +# Enthalpy of formation: -85.400 kJ/mol 82WAG/EVA + -analytic -78.66704E-1 00.00000E+0 55.05948E+1 00.00000E+0 00.00000E+0 PdS(s) -PdS = - 1.000H+ + 1.000Pd+2 + 1.000HS- - log_k -46.860 - delta_h 244.293 #kJ/mol - # Enthalpy of formation: -70.71 #kJ/mol #74MIL - -analytic -4.06177E+0 0E+0 -1.27603E+4 0E+0 0E+0 +PdS = -1.000H+ +1.000Pd+2 +1.000HS- + log_k -46.86 + delta_h +244.299 #kJ/mol +# Enthalpy of formation: -70.710 kJ/mol 74MIL + -analytic -40.60652E-1 00.00000E+0 -12.76063E+3 00.00000E+0 00.00000E+0 PdSe(s) -PdSe = - 1.000H+ + 1.000Pd+2 + 1.000HSe- - log_k -49.110 - delta_h 254.463 #kJ/mol - # Enthalpy of formation: -50.28 #kJ/mol #74MIL - -analytic -4.53006E+0 0E+0 -1.32915E+4 0E+0 0E+0 +PdSe = -1.000H+ +1.000Pd+2 +1.000HSe- + log_k -49.11 + delta_h +254.469 #kJ/mol +# Enthalpy of formation: -50.280 kJ/mol 74MIL + -analytic -45.28945E-1 00.00000E+0 -13.29184E+3 00.00000E+0 00.00000E+0 Pentahydrite -MgSO4:5H2O = 1.000Mg+2 + 1.000SO4-2 + 5.000H2O - log_k -1.280 #80HAR/WEA - delta_h -14.187 #kJ/mol - # Enthalpy of formation: -2791.303 #kJ/mol - -analytic -3.76545E+0 0E+0 7.41038E+2 0E+0 0E+0 +MgSO4:5H2O = +1.000Mg+2 +1.000SO4-2 +5.000H2O + log_k -1.28 #80HAR/WEA + delta_h -14.187 #kJ/mol +# Enthalpy of formation: -2791.300 kJ/mol + -analytic -37.65456E-1 00.00000E+0 74.10386E+1 00.00000E+0 00.00000E+0 Periclase -MgO = 1.000Mg+2 - 2.000H+ + 1.000H2O - log_k 21.580 - delta_h -151.230 #kJ/mol - # Enthalpy of formation: -601.6 #kJ/mol #89COX/WAG - -analytic -4.91432E+0 0E+0 7.89928E+3 0E+0 0E+0 +MgO = +1.000Mg+2 -2.000H+ +1.000H2O + log_k +21.58 + delta_h -151.230 #kJ/mol +# Enthalpy of formation: -601.600 kJ/mol 89COX/WAG + -analytic -49.14359E-1 00.00000E+0 78.99293E+2 00.00000E+0 00.00000E+0 + -Vm 11.250 Phillipsite_Ca -Ca0.5AlSi3O8:3H2O = 0.500Ca+2 + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O - log_k 2.320 #09BLA - delta_h -83.630 #kJ/mol - # Enthalpy of formation: -4824.022 #kJ/mol - -analytic -1.23313E+1 0E+0 4.36829E+3 0E+0 0E+0 +Ca0.5AlSi3O8:3H2O = +0.500Ca+2 +1.000Al+3 -4.000H+ +3.000H4(SiO4) -1.000H2O + log_k +2.32 #09BLA + delta_h -83.633 #kJ/mol +# Enthalpy of formation: -4824.020 kJ/mol + -analytic -12.33187E+0 00.00000E+0 43.68456E+2 00.00000E+0 00.00000E+0 + -Vm 151.150 Phillipsite_K -KAlSi3O8:3H2O = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O - log_k 0.040 #09BLA - delta_h -46.433 #kJ/mol - # Enthalpy of formation: -4841.859 #kJ/mol - -analytic -8.0947E+0 0E+0 2.42536E+3 0E+0 0E+0 +KAlSi3O8:3H2O = +1.000K+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -1.000H2O + log_k +0.04 #09BLA + delta_h -46.436 #kJ/mol +# Enthalpy of formation: -4841.858 kJ/mol + -analytic -80.95238E-1 00.00000E+0 24.25521E+2 00.00000E+0 00.00000E+0 + -Vm 148.970 Phillipsite_Na -NaAlSi3O8:3H2O = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O - log_k 1.450 #09BLA - delta_h -64.815 #kJ/mol - # Enthalpy of formation: -4811.677 #kJ/mol - -analytic -9.90508E+0 0E+0 3.38552E+3 0E+0 0E+0 +NaAlSi3O8:3H2O = +1.000Na+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -1.000H2O + log_k +1.45 #09BLA + delta_h -64.833 #kJ/mol +# Enthalpy of formation: -4811.661 kJ/mol + -analytic -99.08254E-1 00.00000E+0 33.86463E+2 00.00000E+0 00.00000E+0 + -Vm 149.690 Phlogopite_K -KMg3Si3AlO10(OH)2 = 3.000Mg+2 + 1.000K+ + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4) - log_k 41.100 - delta_h -360.122 #kJ/mol - # Enthalpy of formation: -6215 #kJ/mol #92CIR/NAV - -analytic -2.19906E+1 0E+0 1.88105E+4 0E+0 0E+0 +KMg3Si3AlO10(OH)2 = +3.000Mg+2 +1.000K+ +1.000Al+3 -10.000H+ +3.000H4(SiO4) + log_k +41.08 + delta_h -360.122 #kJ/mol +# Enthalpy of formation: -6215.000 kJ/mol 92CIR/NAV + -analytic -22.01067E+0 00.00000E+0 18.81048E+3 00.00000E+0 00.00000E+0 + -Vm 149.650 Phlogopite_Na -NaMg3AlSi3O10(OH)2 = 3.000Mg+2 + 1.000Na+ + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4) - log_k 44.200 - delta_h -391.182 #kJ/mol - # Enthalpy of formation: -6172.14 #kJ/mol #98HOL/POW - -analytic -2.4332E+1 0E+0 2.04328E+4 0E+0 0E+0 +NaMg3AlSi3O10(OH)2 = +3.000Mg+2 +1.000Na+ +1.000Al+3 -10.000H+ +3.000H4(SiO4) + log_k +44.18 + delta_h -391.182 #kJ/mol +# Enthalpy of formation: -6172.140 kJ/mol 98HOL/POW + -analytic -24.35214E+0 00.00000E+0 20.43286E+3 00.00000E+0 00.00000E+0 + -Vm 144.500 Phosgenite -Pb2(CO3)Cl2 = 2.000Pb+2 + 1.000CO3-2 + 2.000Cl- - log_k 19.900 #74NAU/RYZ - delta_h -163.291 #kJ/mol - # Enthalpy of formation: -844.259 #kJ/mol - -analytic -8.70731E+0 0E+0 8.52927E+3 0E+0 0E+0 +Pb2(CO3)Cl2 = +2.000Pb+2 +1.000CO3-2 +2.000Cl- + log_k +19.90 #74NAU/RYZ + delta_h -163.291 #kJ/mol +# Enthalpy of formation: -844.259 kJ/mol + -analytic -87.07355E-1 00.00000E+0 85.29283E+2 00.00000E+0 00.00000E+0 Picromerite -K2Mg(SO4)2:6H2O = 1.000Mg+2 + 2.000K+ + 2.000SO4-2 + 6.000H2O - log_k -4.330 #84HAR/MOL - delta_h 33.487 #kJ/mol - # Enthalpy of formation: -4538.427 #kJ/mol #74NAU/RYZ - -analytic 1.53666E+0 0E+0 -1.74915E+3 0E+0 0E+0 +K2Mg(SO4)2:6H2O = +1.000Mg+2 +2.000K+ +2.000SO4-2 +6.000H2O + log_k -4.33 #84HAR/MOL + delta_h +33.487 #kJ/mol +# Enthalpy of formation: -4538.427 kJ/mol 74NAU/RYZ + -analytic 15.36671E-1 00.00000E+0 -17.49148E+2 00.00000E+0 00.00000E+0 Pirssonite -Na2Ca(CO3)2:2H2O = 1.000Ca+2 + 2.000Na+ + 2.000CO3-2 + 2.000H2O - log_k -8.910 #99KON/KON - delta_h 9.580 #kJ/mol - # Enthalpy of formation: -2955.38 #kJ/mol - -analytic -7.23166E+0 0E+0 -5.00398E+2 0E+0 0E+0 +Na2Ca(CO3)2:2H2O = +1.000Ca+2 +2.000Na+ +2.000CO3-2 +2.000H2O + log_k -8.91 #99KON/KON + delta_h +9.579 #kJ/mol +# Enthalpy of formation: -2955.379 kJ/mol + -analytic -72.31831E-1 00.00000E+0 -50.03460E+1 00.00000E+0 00.00000E+0 Plattnerite -PbO2 = 1.000Pb+2 - 2.000H+ + 1.000H2O + 0.500O2 - log_k 6.610 - delta_h -16.507 #kJ/mol - # Enthalpy of formation: -274.47 #kJ/mol #98CHA - -analytic 3.7181E+0 0E+0 8.62219E+2 0E+0 0E+0 +PbO2 = +1.000Pb+2 -4.000H+ -2.000e- +2.000H2O + log_k +49.60 + delta_h -296.270 #kJ/mol +# Enthalpy of formation: -274.470 kJ/mol 98CHA + -analytic -23.04276E-1 00.00000E+0 15.47526E+3 00.00000E+0 00.00000E+0 Plumbogummite -PbAl3(PO4)2(OH)5:H2O = 1.000Pb+2 + 3.000Al+3 - 9.000H+ + 2.000H2(PO4)- + 6.000H2O - log_k 13.240 #74NRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.324E+1 0E+0 0E+0 0E+0 0E+0 +PbAl3(PO4)2(OH)5:H2O = +1.000Pb+2 +3.000Al+3 -9.000H+ +2.000H2(PO4)- +6.000H2O + log_k +13.24 #74NRI + -analytic 13.24000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Plumbonacrite -Pb10(CO3)6O(OH)6 = 10.000Pb+2 - 8.000H+ + 6.000CO3-2 + 7.000H2O - log_k -42.090 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.209E+1 0E+0 0E+0 0E+0 0E+0 +Pb10(CO3)6O(OH)6 = +10.000Pb+2 -8.000H+ +6.000CO3-2 +7.000H2O + log_k -42.09 + -analytic -42.09000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Polydymite -Ni3S4 = 3.000Ni+2 - 2.000H+ + 4.000HS- - 1.000H2O + 0.500O2 - log_k -82.260 - delta_h 375.879 #kJ/mol - # Enthalpy of formation: -326.352 #kJ/mol #74MIL - -analytic -1.64089E+1 0E+0 -1.96335E+4 0E+0 0E+0 +Ni3S4 = +3.000Ni+2 -4.000H+ -2.000e- +4.000HS- + log_k -39.27 + delta_h +96.116 #kJ/mol +# Enthalpy of formation: -326.352 kJ/mol 74MIL + -analytic -22.43120E+0 00.00000E+0 -50.20488E+2 00.00000E+0 00.00000E+0 Polyhalite -K2MgCa2(SO4)4:2H2O = 2.000Ca+2 + 1.000Mg+2 + 2.000K+ + 4.000SO4-2 + 2.000H2O - log_k -13.740 #84HAR/MOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.374E+1 0E+0 0E+0 0E+0 0E+0 +K2MgCa2(SO4)4:2H2O = +2.000Ca+2 +1.000Mg+2 +2.000K+ +4.000SO4-2 +2.000H2O + log_k -13.74 #84HAR/MOL + -analytic -13.74000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Portlandite -Ca(OH)2 = 1.000Ca+2 - 2.000H+ + 2.000H2O - log_k 22.810 #10BLA/BOU1 - delta_h -130.078 #kJ/mol - # Enthalpy of formation: -984.582 #kJ/mol - -analytic 2.13461E-2 0E+0 6.79444E+3 0E+0 0E+0 - -Pu(CO3)(OH)(s) -Pu(CO3)(OH) = 1.000Pu+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O - log_k -5.740 #Estimated by correlation with An(III) in function of ionic radii - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.74E+0 0E+0 0E+0 0E+0 0E+0 - -Pu(HPO4)2(am,hyd) -Pu(HPO4)2 = 1.000Pu+4 - 2.000H+ + 2.000H2(PO4)- - log_k -16.030 #01LEM/FUG - delta_h -32.718 #kJ/mol - # Enthalpy of formation: -3112.377 #kJ/mol - -analytic -2.17619E+1 0E+0 1.70898E+3 0E+0 0E+0 - -Pu(OH)3(cr) -Pu(OH)3 = 1.000Pu+3 - 3.000H+ + 3.000H2O - log_k 15.800 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.58E+1 0E+0 0E+0 0E+0 0E+0 - -Pu(OH)4(am) -Pu(OH)4 = 1.000Pu+4 - 4.000H+ + 4.000H2O - log_k -0.800 #89LEM/GAR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -8E-1 0E+0 0E+0 0E+0 0E+0 - -Pu(PO4)(s,hyd) -Pu(PO4) = 1.000Pu+3 - 2.000H+ + 1.000H2(PO4)- - log_k -5.040 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.04E+0 0E+0 0E+0 0E+0 0E+0 +Ca(OH)2 = +1.000Ca+2 -2.000H+ +2.000H2O + log_k +22.81 #10BLA/BOU1 + delta_h -130.107 #kJ/mol +# Enthalpy of formation: -984.552 kJ/mol + -analytic 16.23204E-3 00.00000E+0 67.95962E+2 00.00000E+0 00.00000E+0 + -Vm 33.060 Pu(cr) -Pu = 1.000Pu+3 + 1.500H2O - 3.000H+ - 0.750O2 - log_k 165.915 - delta_h -1011.435 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #01LEM/FUG - -analytic -1.12805E+1 0E+0 5.28308E+4 0E+0 0E+0 +Pu = +1.000Pu+3 +3.000e- + log_k +101.43 + delta_h -591.790 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 01LEM/FUG + -analytic -22.47158E-1 00.00000E+0 30.91134E+3 00.00000E+0 00.00000E+0 + +Pu(HPO4)2(am,hyd) +Pu(HPO4)2 = +1.000Pu+4 -2.000H+ +2.000H2(PO4)- + log_k -16.03 #01LEM/FUG + delta_h -32.691 #kJ/mol +# Enthalpy of formation: -3112.403 kJ/mol + -analytic -21.75722E+0 00.00000E+0 17.07570E+2 00.00000E+0 00.00000E+0 + +Pu(OH)3(am) +Pu(OH)3 = +1.000Pu+3 -3.000H+ +3.000H2O + log_k +14.58 #20GRE/GAO + -analytic 14.58000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Pu(PO4)(am) +Pu(PO4) = +1.000Pu+3 -2.000H+ +1.000H2(PO4)- + log_k -4.88 #20GRE/GAO + -analytic -48.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Pu2O3(s) -Pu2O3 = 2.000Pu+3 - 6.000H+ + 3.000H2O - log_k 50.630 - delta_h -385.070 #kJ/mol - # Enthalpy of formation: -1656 #kJ/mol #01LEM/FUG - -analytic -1.68313E+1 0E+0 2.01136E+4 0E+0 0E+0 +Pu2O3 = +2.000Pu+3 -6.000H+ +3.000H2O + log_k +50.63 + delta_h -385.070 #kJ/mol +# Enthalpy of formation: -1656.000 kJ/mol 01LEM/FUG + -analytic -16.83137E+0 00.00000E+0 20.11361E+3 00.00000E+0 00.00000E+0 PuAs(s) -PuAs = 1.000AsO4-3 + 1.000PuO2+2 - 0.500H2O + 1.000H+ - 2.750O2 - log_k 192.005 - delta_h -1293.893 #kJ/mol - # Enthalpy of formation: -240 #kJ/mol #01LEM/FUG - -analytic -3.46749E+1 0E+0 6.75846E+4 0E+0 0E+0 +PuAs = +1.000PuO2+2 +12.000H+ +11.000e- +1.000AsO4-3 -6.000H2O + log_k -44.42 + delta_h +244.804 #kJ/mol +# Enthalpy of formation: -240.000 kJ/mol 01LEM/FUG + -analytic -15.32180E-1 00.00000E+0 -12.78700E+3 00.00000E+0 00.00000E+0 + +PuCO3OH(s) +Pu(CO3)(OH) = +1.000Pu+3 -1.000H+ +1.000CO3-2 +1.000H2O + log_k -6.27 #Estimated using the data for AmCO3OH(s) and the trend versus r identified for AnCO3OH·0.5H2O(s)(orthorhombic). + -analytic -62.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 PuF4(s) -PuF4 = 1.000Pu+4 + 4.000F- - log_k -26.070 #01LEM/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.607E+1 0E+0 0E+0 0E+0 0E+0 - -PuO2(CO3)(s) -PuO2(CO3) = 1.000PuO2+2 + 1.000CO3-2 - log_k -14.650 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.465E+1 0E+0 0E+0 0E+0 0E+0 - -PuO2(OH)(s) -PuO2(OH) = 1.000PuO2+ - 1.000H+ + 1.000H2O - log_k 5.000 #01LEM/FUG - delta_h -36.164 #kJ/mol - # Enthalpy of formation: -1159.793 #kJ/mol - -analytic -1.33565E+0 0E+0 1.88897E+3 0E+0 0E+0 - -PuO2(OH)2:H2O(s) -PuO2(OH)2:H2O = 1.000PuO2+2 - 2.000H+ + 3.000H2O - log_k 5.500 #01LEM/FUG - delta_h -46.718 #kJ/mol - # Enthalpy of formation: -1632.808 #kJ/mol - -analytic -2.68463E+0 0E+0 2.44025E+3 0E+0 0E+0 +PuF4 = +1.000Pu+4 +4.000F- + log_k -26.07 #01LEM/FUG + -analytic -26.07000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +PuO2(CO3)(cr) +PuO2(CO3) = +1.000PuO2+2 +1.000CO3-2 + log_k -14.82 #20GRE/GAO + -analytic -14.82000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +PuO2(coll) +PuO2 = +1.000Pu+4 -4.000H+ +2.000H2O + log_k +0.20 #07NEC/ALT3 + -analytic 20.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +PuO2(cr) +PuO2 = +1.000Pu+4 -4.000H+ +2.000H2O + log_k -8.03 + delta_h -55.755 #kJ/mol +# Enthalpy of formation: -1055.800 kJ/mol 01LEM/FUG + -analytic -17.79786E+0 00.00000E+0 29.12286E+2 00.00000E+0 00.00000E+0 + +PuO2(OH)2:H2O(am) +PuO2(OH)2:H2O = +1.000PuO2+2 -2.000H+ +3.000H2O + log_k +5.17 #20GRE/GAO + delta_h -44.834 #kJ/mol +# Enthalpy of formation: -1634.691 kJ/mol + -analytic -26.84580E-1 00.00000E+0 23.41843E+2 00.00000E+0 00.00000E+0 PuO2(Ox):3H2O(s) -PuO2(Ox):3H2O = 1.000PuO2+2 + 1.000Ox-2 + 3.000H2O - log_k -10.000 #05HUM/AND - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1E+1 0E+0 0E+0 0E+0 0E+0 - -PuO2(coll,hyd) -PuO2 = 1.000Pu+4 - 4.000H+ + 2.000H2O - log_k 0.200 #07NEC/ALT3 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2E-1 0E+0 0E+0 0E+0 0E+0 - -PuO2(s) -PuO2 = 1.000Pu+4 - 4.000H+ + 2.000H2O - log_k -8.030 - delta_h -55.755 #kJ/mol - # Enthalpy of formation: -1055.8 #kJ/mol #01LEM/FUG - -analytic -1.77978E+1 0E+0 2.91228E+3 0E+0 0E+0 +PuO2(Ox):3H2O = +1.000PuO2+2 +1.000Ox-2 +3.000H2O + log_k -10.00 #05HUM/AND + -analytic -10.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 PuO2:2H2O(am) -PuO2:2H2O = 1.000Pu+4 - 4.000H+ + 4.000H2O - log_k -2.370 #03GUI/FAN - delta_h -58.548 #kJ/mol - # Enthalpy of formation: -1624.667 #kJ/mol - -analytic -1.26272E+1 0E+0 3.05817E+3 0E+0 0E+0 +PuO2:2H2O = +1.000Pu+4 -4.000H+ +4.000H2O + log_k -2.33 #03GUI/FAN + delta_h -58.774 #kJ/mol +# Enthalpy of formation: -1624.439 kJ/mol + -analytic -12.62676E+0 00.00000E+0 30.69980E+2 00.00000E+0 00.00000E+0 + +PuO2OH(am) +PuO2OH = +1.000PuO2+ -1.000H+ +1.000H2O + log_k +5.00 #01LEM/FUG + delta_h -36.164 #kJ/mol +# Enthalpy of formation: -1159.793 kJ/mol + -analytic -13.35661E-1 00.00000E+0 18.88977E+2 00.00000E+0 00.00000E+0 Pyrite -FeS2 = 1.000Fe+2 + 2.000HS- - 1.000H2O + 0.500O2 - log_k -58.780 - delta_h 324.813 #kJ/mol - # Enthalpy of formation: -167.65 #kJ/mol #76RAU in 04CHI - -analytic -1.87529E+0 0E+0 -1.69661E+4 0E+0 0E+0 +FeS2 = +1.000Fe+2 -2.000H+ -2.000e- +2.000HS- + log_k -16.82 + delta_h +50.735 #kJ/mol +# Enthalpy of formation: -173.630 kJ/mol 20LEM/PAL + -analytic -79.31610E-1 00.00000E+0 -26.50074E+2 00.00000E+0 00.00000E+0 + -Vm 23.940 Pyrochroite -Mn(OH)2 = 1.000Mn+2 - 2.000H+ + 2.000H2O - log_k 15.300 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.53E+1 0E+0 0E+0 0E+0 0E+0 +Mn(OH)2 = +1.000Mn+2 -2.000H+ +2.000H2O + log_k +15.30 #96FAL/REA + -analytic 15.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Pyromorphite -Pb5Cl(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)- - log_k -25.750 #74NRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.575E+1 0E+0 0E+0 0E+0 0E+0 +Pb5Cl(PO4)3 = +5.000Pb+2 -6.000H+ +1.000Cl- +3.000H2(PO4)- + log_k -25.75 #74NRI + -analytic -25.75000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Pyromorphite-Br -Pb5Br(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000Br- + 3.000H2(PO4)- - log_k -19.450 #74NRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.945E+1 0E+0 0E+0 0E+0 0E+0 +Pb5Br(PO4)3 = +5.000Pb+2 -6.000H+ +1.000Br- +3.000H2(PO4)- + log_k -19.45 #74NRI + -analytic -19.45000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Pyromorphite-F -Pb5F(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000F- + 3.000H2(PO4)- - log_k -13.100 #74NRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.31E+1 0E+0 0E+0 0E+0 0E+0 +Pb5F(PO4)3 = +5.000Pb+2 -6.000H+ +1.000F- +3.000H2(PO4)- + log_k -13.10 #74NRI + -analytic -13.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Pyromorphite-OH -Pb5(OH)(PO4)3 = 5.000Pb+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O - log_k -4.150 #74NRI - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -4.15E+0 0E+0 0E+0 0E+0 0E+0 +Pb5(OH)(PO4)3 = +5.000Pb+2 -7.000H+ +3.000H2(PO4)- +1.000H2O + log_k -4.15 #74NRI + -analytic -41.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Pyrophyllite -Al2Si4O10(OH)2 = 2.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k -0.420 - delta_h -138.256 #kJ/mol - # Enthalpy of formation: -5640 #kJ/mol #95ROB/HEM - -analytic -2.46414E+1 0E+0 7.2216E+3 0E+0 0E+0 +Al2Si4O10(OH)2 = +2.000Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O + log_k -0.44 + delta_h -138.256 #kJ/mol +# Enthalpy of formation: -5640.000 kJ/mol 95ROB/HEM + -analytic -24.66141E+0 00.00000E+0 72.21614E+2 00.00000E+0 00.00000E+0 + -Vm 128.100 Pyrrhotite -Fe0.87S = 0.870Fe+2 - 0.740H+ + 1.000HS- - 0.130H2O + 0.065O2 - log_k -11.179 - delta_h 38.819 #kJ/mol - # Enthalpy of formation: -97.5 #kJ/mol #95ROB/HEM - -analytic -4.37788E+0 0E+0 -2.02766E+3 0E+0 0E+0 +Fe0.87S = +0.870Fe+2 -1.000H+ -0.260e- +1.000HS- + log_k -5.32 + delta_h +0.673 #kJ/mol +# Enthalpy of formation: -95.530 kJ/mol 20LEM/PAL + -analytic -52.02095E-1 00.00000E+0 -35.15324E+0 00.00000E+0 00.00000E+0 + -Vm 18.200 Quartz -SiO2 = 1.000H4(SiO4) - 2.000H2O - log_k -3.740 - delta_h 21.166 #kJ/mol - # Enthalpy of formation: -910.7 #kJ/mol #82RIC/BOT - -analytic -3.18814E-2 0E+0 -1.10558E+3 0E+0 0E+0 +SiO2 = +1.000H4(SiO4) -2.000H2O + log_k -3.74 + delta_h +21.166 #kJ/mol +# Enthalpy of formation: -910.700 kJ/mol 82RIC/BOT + -analytic -31.87597E-3 00.00000E+0 -11.05577E+2 00.00000E+0 00.00000E+0 + -Vm 22.690 Ra(CO3)(s) -Ra(CO3) = 1.000Ra+2 + 1.000CO3-2 - log_k -8.300 #85LAN/RIE - delta_h 13.390 #kJ/mol - # Enthalpy of formation: -1216.646 #kJ/mol - -analytic -5.95418E+0 0E+0 -6.99407E+2 0E+0 0E+0 +Ra(CO3) = +1.000Ra+2 +1.000CO3-2 + log_k -8.30 #85LAN/RIE; Uncertainty estimated by analogy with Sr(CO3)(s). + delta_h +13.640 #kJ/mol +# Enthalpy of formation: -1216.896 kJ/mol + -analytic -59.10375E-1 00.00000E+0 -71.24668E+1 00.00000E+0 00.00000E+0 + +Ra(cr) +Ra = +1.000Ra+2 +2.000e- + log_k +98.44 + delta_h -528.025 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 82WAG/EVA + -analytic 59.33991E-1 00.00000E+0 27.58067E+3 00.00000E+0 00.00000E+0 Ra(NO3)2(s) -Ra(NO3)2 = 1.000Ra+2 + 2.000NO3- - log_k -2.210 - delta_h 49.980 #kJ/mol - # Enthalpy of formation: -991.706 #kJ/mol - -analytic 6.54611E+0 0E+0 -2.61063E+3 0E+0 0E+0 +Ra(NO3)2 = +1.000Ra+2 +2.000NO3- + log_k -2.21 + delta_h +49.981 #kJ/mol +# Enthalpy of formation: -991.706 kJ/mol + -analytic 65.46295E-1 00.00000E+0 -26.10689E+2 00.00000E+0 00.00000E+0 Ra(OH)2(s) -Ra(OH)2 = - 2.000H+ + 1.000Ra+2 + 2.000H2O - log_k 30.990 - delta_h -149.763 #kJ/mol - # Enthalpy of formation: -949.923 #kJ/mol - -analytic 4.75269E+0 0E+0 7.82265E+3 0E+0 0E+0 +Ra(OH)2 = -2.000H+ +1.000Ra+2 +2.000H2O + log_k +30.99 + delta_h -149.762 #kJ/mol +# Enthalpy of formation: -949.923 kJ/mol + -analytic 47.52824E-1 00.00000E+0 78.22614E+2 00.00000E+0 00.00000E+0 Ra(SO4)(s) -Ra(SO4) = 1.000Ra+2 + 1.000SO4-2 - log_k -10.260 #99SCH, 85LAN/RIE - delta_h 38.910 #kJ/mol - # Enthalpy of formation: -1476.275 #kJ/mol - -analytic -3.44327E+0 0E+0 -2.03241E+3 0E+0 0E+0 - -Ra(cr) -Ra = 1.000Ra+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 141.430 - delta_h -807.788 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #82WAG/EVA - -analytic -8.81751E-2 0E+0 4.21936E+4 0E+0 0E+0 +Ra(SO4) = +1.000Ra+2 +1.000SO4-2 + log_k -10.26 #99SCH, 85LAN/RIE + delta_h +39.014 #kJ/mol +# Enthalpy of formation: -1476.379 kJ/mol + -analytic -34.25041E-1 00.00000E+0 -20.37843E+2 00.00000E+0 00.00000E+0 RaCl2:2H2O(s) -RaCl2:2H2O = 1.000Ra+2 + 2.000Cl- + 2.000H2O - log_k -0.730 - delta_h 32.220 #kJ/mol - # Enthalpy of formation: -1466.065 #kJ/mol - -analytic 4.91469E+0 0E+0 -1.68297E+3 0E+0 0E+0 - -Rb(s) -Rb = 1.000Rb+ + 0.500H2O - 1.000H+ - 0.250O2 - log_k 71.255 - delta_h -391.002 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG - -analytic 2.75458E+0 0E+0 2.04234E+4 0E+0 0E+0 +RaCl2:2H2O = +1.000Ra+2 +2.000Cl- +2.000H2O + log_k -0.73 + delta_h +32.221 #kJ/mol +# Enthalpy of formation: -1466.065 kJ/mol + -analytic 49.14877E-1 00.00000E+0 -16.83020E+2 00.00000E+0 00.00000E+0 + +Rb(cr) +Rb = +1.000e- +1.000Rb+ + log_k +49.76 + delta_h -251.120 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG + -analytic 57.65664E-1 00.00000E+0 13.11691E+3 00.00000E+0 00.00000E+0 Rb2MoO4(s) -Rb2MoO4 = 1.000MoO4-2 + 2.000Rb+ - log_k 3.100 - delta_h -5.391 #kJ/mol - # Enthalpy of formation: -1493.849 #kJ/mol - -analytic 2.15554E+0 0E+0 2.81591E+2 0E+0 0E+0 +Rb2MoO4 = +1.000MoO4-2 +2.000Rb+ + log_k +3.10 + delta_h -5.315 #kJ/mol +# Enthalpy of formation: -1493.925 kJ/mol + -analytic 21.68852E-1 00.00000E+0 27.76218E+1 00.00000E+0 00.00000E+0 Realgar -AsS = 4.000H+ + 1.000HS- + 1.000AsO4-3 - 2.500H2O - 0.750O2 - log_k -2.575 - delta_h -109.359 #kJ/mol - # Enthalpy of formation: -71.406 #kJ/mol - -analytic -2.17338E+1 0E+0 5.71218E+3 0E+0 0E+0 +AsS = +7.000H+ +3.000e- +1.000HS- +1.000AsO4-3 -4.000H2O + log_k -67.06 + delta_h +310.285 #kJ/mol +# Enthalpy of formation: -71.406 kJ/mol + -analytic -12.70040E+0 00.00000E+0 -16.20731E+3 00.00000E+0 00.00000E+0 Rhodochrosite -Mn(CO3) = 1.000Mn+2 + 1.000CO3-2 - log_k -11.130 #92PEA/BER - delta_h -5.899 #kJ/mol - # Enthalpy of formation: -890.081 #kJ/mol - -analytic -1.21635E+1 0E+0 3.08126E+2 0E+0 0E+0 +Mn(CO3) = +1.000Mn+2 +1.000CO3-2 + log_k -11.13 #92PEA/BER + delta_h -5.899 #kJ/mol 92PEA/BER +# Enthalpy of formation: -890.131 kJ/mol + -analytic -12.16346E+0 00.00000E+0 30.81262E+1 00.00000E+0 00.00000E+0 Rhodochrosite(syn) -Mn(CO3) = 1.000Mn+2 + 1.000CO3-2 - log_k -10.520 - delta_h -6.792 #kJ/mol - # Enthalpy of formation: -889.188 #kJ/mol #92JOH - -analytic -1.17099E+1 0E+0 3.5477E+2 0E+0 0E+0 +Mn(CO3) = +1.000Mn+2 +1.000CO3-2 + log_k -10.49 + delta_h -6.842 #kJ/mol +# Enthalpy of formation: -889.188 kJ/mol 92JOH + -analytic -11.68867E+0 00.00000E+0 35.73825E+1 00.00000E+0 00.00000E+0 Ripidolite_Cca-2 -(Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 = 0.011Ca+2 + 2.964Mg+2 + 0.215Fe+3 + 1.712Fe+2 + 2.483Al+3 - 17.468H+ + 2.633H4(SiO4) + 7.468H2O - log_k 61.350 - delta_h -633.385 #kJ/mol - # Enthalpy of formation: -8240.14 #kJ/mol #13BLA/GAI2 - -analytic -4.96141E+1 0E+0 3.3084E+4 0E+0 0E+0 +(Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 = +0.011Ca+2 +2.964Mg+2 +0.215Fe+3 +1.712Fe+2 +2.483Al+3 -17.468H+ +2.633H4(SiO4) +7.468H2O + log_k +61.35 + delta_h -634.118 #kJ/mol +# Enthalpy of formation: -8240.140 kJ/mol 13BLA/GAI2 + -analytic -49.74270E+0 00.00000E+0 33.12229E+3 00.00000E+0 00.00000E+0 + -Vm 211.830 Romarchite -SnO = 1.000Sn+2 - 2.000H+ + 1.000H2O - log_k 1.590 - delta_h -11.207 #kJ/mol - # Enthalpy of formation: -284.24 #kJ/mol #12GAM/GAJ - -analytic -3.73379E-1 0E+0 5.85382E+2 0E+0 0E+0 +SnO = +1.000Sn+2 -2.000H+ +1.000H2O + log_k +1.59 + delta_h -11.207 #kJ/mol +# Enthalpy of formation: -284.240 kJ/mol 12GAM/GAJ + -analytic -37.33821E-2 00.00000E+0 58.53824E+1 00.00000E+0 00.00000E+0 Rutherfordine -(UO2)(CO3) = 1.000UO2+2 + 1.000CO3-2 - log_k -14.760 #03GUI/FAN - delta_h -2.929 #kJ/mol - # Enthalpy of formation: -1691.301 #kJ/mol - -analytic -1.52731E+1 0E+0 1.52992E+2 0E+0 0E+0 +(UO2)(CO3) = +1.000UO2+2 +1.000CO3-2 + log_k -14.76 #03GUI/FAN + delta_h -2.929 #kJ/mol +# Enthalpy of formation: -1691.302 kJ/mol + -analytic -15.27314E+0 00.00000E+0 15.29923E+1 00.00000E+0 00.00000E+0 S(cr) -S = 1.000H+ + 1.000HS- - 1.000H2O + 0.500O2 - log_k -45.130 - delta_h 263.463 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic 1.02667E+0 0E+0 -1.37616E+4 0E+0 0E+0 +S = -1.000H+ -2.000e- +1.000HS- + log_k -2.14 + delta_h -16.300 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -49.95637E-1 00.00000E+0 85.14083E+1 00.00000E+0 00.00000E+0 Sacchite -MnCl2 = 1.000Mn+2 + 2.000Cl- - log_k 8.770 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.77E+0 0E+0 0E+0 0E+0 0E+0 +MnCl2 = +1.000Mn+2 +2.000Cl- + log_k +8.77 #96FAL/REA + -analytic 87.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Sanidine -KAlSi3O8 = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O - log_k 0.580 - delta_h -65.073 #kJ/mol - # Enthalpy of formation: -3965.73 #kJ/mol #99ARN/STE - -analytic -1.08203E+1 0E+0 3.39899E+3 0E+0 0E+0 +KAlSi3O8 = +1.000K+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -4.000H2O + log_k +0.58 + delta_h -65.072 #kJ/mol +# Enthalpy of formation: -3965.730 kJ/mol 99ARN/STE + -analytic -10.82013E+0 00.00000E+0 33.98947E+2 00.00000E+0 00.00000E+0 + +Saponite_SapCa +(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2 = +0.038Ca+2 +2.949Mg+2 +0.021K+ +0.394Na+ +0.034Fe+3 +0.021Fe+2 +0.397Al+3 -7.724H+ +3.569H4(SiO4) -2.276H2O + log_k +31.45 + delta_h -285.541 #kJ/mol +# Enthalpy of formation: -5994.060 kJ/mol 13GAI/BLA + -analytic -18.57464E+0 00.00000E+0 14.91485E+3 00.00000E+0 00.00000E+0 + -Vm 141.660 + +Saponite_SapCa(4.151H2O) +(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O = +0.038Ca+2 +2.949Mg+2 +0.021K+ +0.394Na+ +0.034Fe+3 +0.021Fe+2 +0.397Al+3 -7.724H+ +3.569H4(SiO4) +1.875H2O + log_k +28.27 + delta_h -255.631 #kJ/mol +# Enthalpy of formation: -7210.450 kJ/mol 09GAI + -analytic -16.51463E+0 00.00000E+0 13.35254E+3 00.00000E+0 00.00000E+0 + -Vm 216.670 Saponite-Ca -Ca0.17Mg3Al0.34Si3.66O10(OH)2 = 0.170Ca+2 + 3.000Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 29.340 - delta_h -271.305 #kJ/mol - # Enthalpy of formation: -5998.44 #kJ/mol #15BLA/VIE - -analytic -1.81905E+1 0E+0 1.41712E+4 0E+0 0E+0 +Ca0.17Mg3Al0.34Si3.66O10(OH)2 = +0.170Ca+2 +3.000Mg+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O + log_k +29.34 + delta_h -271.305 #kJ/mol +# Enthalpy of formation: -5998.440 kJ/mol 15BLA/VIE + -analytic -18.19060E+0 00.00000E+0 14.17125E+3 00.00000E+0 00.00000E+0 + -Vm 142.570 Saponite-FeCa -Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 = 0.170Ca+2 + 2.000Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 26.550 - delta_h -259.175 #kJ/mol - # Enthalpy of formation: -5633.57 #kJ/mol #15BLA/VIE - -analytic -1.88554E+1 0E+0 1.35376E+4 0E+0 0E+0 +Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 = +0.170Ca+2 +2.000Mg+2 +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O + log_k +24.48 + delta_h -259.470 #kJ/mol +# Enthalpy of formation: -5633.570 kJ/mol 15BLA/VIE + -analytic -20.97719E+0 00.00000E+0 13.55306E+3 00.00000E+0 00.00000E+0 + -Vm 145.150 Saponite-FeK -K0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2.000Mg+2 + 0.340K+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 25.380 - delta_h -240.632 #kJ/mol - # Enthalpy of formation: -5645.53 #kJ/mol #15BLA/VIE - -analytic -1.67769E+1 0E+0 1.25691E+4 0E+0 0E+0 +K0.34Mg2FeAl0.34Si3.66O10(OH)2 = +2.000Mg+2 +0.340K+ +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O + log_k +25.40 + delta_h -240.927 #kJ/mol +# Enthalpy of formation: -5645.530 kJ/mol 15BLA/VIE + -analytic -16.80860E+0 00.00000E+0 12.58449E+3 00.00000E+0 00.00000E+0 + -Vm 144.270 Saponite-FeMg -Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 = 2.170Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 26.000 - delta_h -260.345 #kJ/mol - # Enthalpy of formation: -5619.48 #kJ/mol #15BLA/VIE - -analytic -1.96104E+1 0E+0 1.35987E+4 0E+0 0E+0 +Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 = +2.170Mg+2 +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O + log_k +26.03 + delta_h -260.640 #kJ/mol +# Enthalpy of formation: -5619.480 kJ/mol 15BLA/VIE + -analytic -19.63217E+0 00.00000E+0 13.61418E+3 00.00000E+0 00.00000E+0 + -Vm 141.160 Saponite-FeNa -Na0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2.000Mg+2 + 0.340Na+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 25.700 - delta_h -248.260 #kJ/mol - # Enthalpy of formation: -5633.89 #kJ/mol #15BLA/VIE - -analytic -1.77932E+1 0E+0 1.29675E+4 0E+0 0E+0 +Na0.34Mg2FeAl0.34Si3.66O10(OH)2 = +2.000Mg+2 +0.340Na+ +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O + log_k +25.73 + delta_h -248.555 #kJ/mol +# Enthalpy of formation: -5633.890 kJ/mol 15BLA/VIE + -analytic -17.81497E+0 00.00000E+0 12.98293E+3 00.00000E+0 00.00000E+0 + -Vm 143.540 Saponite-K -K0.34Mg3Al0.34Si3.66O10(OH)2 = 3.000Mg+2 + 0.340K+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 28.170 - delta_h -252.772 #kJ/mol - # Enthalpy of formation: -6010.39 #kJ/mol #15BLA/VIE - -analytic -1.61137E+1 0E+0 1.32032E+4 0E+0 0E+0 +K0.34Mg3Al0.34Si3.66O10(OH)2 = +3.000Mg+2 +0.340K+ +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O + log_k +28.17 + delta_h -252.772 #kJ/mol +# Enthalpy of formation: -6010.390 kJ/mol 15BLA/VIE + -analytic -16.11375E+0 00.00000E+0 13.20320E+3 00.00000E+0 00.00000E+0 + -Vm 141.690 Saponite-Mg -Mg0.17Mg3Al0.34Si3.66O10(OH)2 = 3.170Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 28.790 - delta_h -272.485 #kJ/mol - # Enthalpy of formation: -5984.34 #kJ/mol #15BLA/VIE - -analytic -1.89473E+1 0E+0 1.42329E+4 0E+0 0E+0 +Mg0.17Mg3Al0.34Si3.66O10(OH)2 = +3.170Mg+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O + log_k +28.79 + delta_h -272.485 #kJ/mol +# Enthalpy of formation: -5984.340 kJ/mol 15BLA/VIE + -analytic -18.94732E+0 00.00000E+0 14.23288E+3 00.00000E+0 00.00000E+0 + -Vm 138.580 Saponite-Na -Na0.34Mg3Al0.34Si3.66O10(OH)2 = 3.000Mg+2 + 0.340Na+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O - log_k 28.670 - delta_h -261.390 #kJ/mol - # Enthalpy of formation: -5997.76 #kJ/mol #15BLA/VIE - -analytic -1.71235E+1 0E+0 1.36533E+4 0E+0 0E+0 - -Saponite_SapCa -(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2 = 0.038Ca+2 + 2.949Mg+2 + 0.021K+ + 0.394Na+ + 0.034Fe+3 + 0.021Fe+2 + 0.397Al+3 - 7.724H+ + 3.569H4(SiO4) - 2.276H2O - log_k 31.470 - delta_h -285.499 #kJ/mol - # Enthalpy of formation: -5994.06 #kJ/mol #13GAI/BLA - -analytic -1.85472E+1 0E+0 1.49126E+4 0E+0 0E+0 - -Saponite_SapCa(4.151H2O) -(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O = 0.038Ca+2 + 2.949Mg+2 + 0.021K+ + 0.394Na+ + 0.034Fe+3 + 0.021Fe+2 + 0.397Al+3 - 7.724H+ + 3.569H4(SiO4) + 1.875H2O - log_k 28.300 - delta_h -255.590 #kJ/mol - # Enthalpy of formation: -7210.45 #kJ/mol #09GAI - -analytic -1.64774E+1 0E+0 1.33504E+4 0E+0 0E+0 +Na0.34Mg3Al0.34Si3.66O10(OH)2 = +3.000Mg+2 +0.340Na+ +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O + log_k +28.67 + delta_h -261.390 #kJ/mol +# Enthalpy of formation: -5997.760 kJ/mol 15BLA/VIE + -analytic -17.12356E+0 00.00000E+0 13.65335E+3 00.00000E+0 00.00000E+0 + -Vm 140.960 Sb(cr) -Sb = 1.000Sb(OH)3 - 1.500H2O - 0.750O2 - log_k 52.815 - delta_h -336.045 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol - -analytic -6.05738E+0 0E+0 1.75528E+4 0E+0 0E+0 +Sb = +3.000H+ +3.000e- +1.000Sb(OH)3 -3.000H2O + log_k -11.67 + delta_h +83.597 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 98KON/VAN + -analytic 29.75566E-1 00.00000E+0 -43.66575E+2 00.00000E+0 00.00000E+0 Sb2O5(s) -Sb2O5 = 2.000Sb(OH)5 - 5.000H2O - log_k -7.400 #48TOU/MOU in 76BAE/MES - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.4E+0 0E+0 0E+0 0E+0 0E+0 - -Schoepite -UO3:2H2O = 1.000UO2+2 - 2.000H+ + 3.000H2O - log_k 5.960 #91SAN/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5.96E+0 0E+0 0E+0 0E+0 0E+0 - -Schoepite(des) -UO3:0.9H2O = 1.000UO2+2 - 2.000H+ + 1.900H2O - log_k 5.000 - delta_h -55.777 #kJ/mol - # Enthalpy of formation: -1506.3 #kJ/mol #92GRE/FUG - -analytic -4.7717E+0 0E+0 2.91343E+3 0E+0 0E+0 +Sb2O5 = +2.000Sb(OH)5 -5.000H2O + log_k -7.40 #48TOU/MOU in 76BAE/MES + -analytic -74.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Schwertmannite(cr) +Fe8O8(OH)6SO4 = +8.000Fe+3 -22.000H+ +1.000SO4-2 +14.000H2O + log_k +8.72 + -analytic 87.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Scolecite -CaAl2Si3O10:3H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 3.000H4(SiO4) + 1.000H2O - log_k 16.650 - delta_h -240.212 #kJ/mol - # Enthalpy of formation: -6049 #kJ/mol #83JOH/FLO - -analytic -2.54333E+1 0E+0 1.25471E+4 0E+0 0E+0 +CaAl2Si3O10:3H2O = +1.000Ca+2 +2.000Al+3 -8.000H+ +3.000H4(SiO4) +1.000H2O + log_k +16.63 + delta_h -240.212 #kJ/mol +# Enthalpy of formation: -6049.000 kJ/mol 83JOH/FLO + -analytic -25.45334E+0 00.00000E+0 12.54715E+3 00.00000E+0 00.00000E+0 + -Vm 172.300 Se(s) -Se = 1.000H+ + 1.000HSe- - 1.000H2O + 0.500O2 - log_k -50.610 - delta_h 294.063 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG - -analytic 9.07551E-1 0E+0 -1.536E+4 0E+0 0E+0 +Se = -1.000H+ -2.000e- +1.000HSe- + log_k -7.62 + delta_h +14.300 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG + -analytic -51.14748E-1 00.00000E+0 -74.69410E+1 00.00000E+0 00.00000E+0 Se3U(cr) -Se3U = 1.000UO2+2 + 1.000H+ + 3.000HSe- - 2.000H2O - log_k -18.270 - delta_h 47.560 #kJ/mol - # Enthalpy of formation: -452 #kJ/mol #92GRE/FUG - -analytic -9.93786E+0 0E+0 -2.48423E+3 0E+0 0E+0 +Se3U = +1.000UO2+2 +1.000H+ +3.000HSe- -2.000H2O + log_k -18.27 + delta_h +47.560 #kJ/mol +# Enthalpy of formation: -452.000 kJ/mol 92GRE/FUG + -analytic -99.37846E-1 00.00000E+0 -24.84232E+2 00.00000E+0 00.00000E+0 SeO3(cr) -SeO3 = 2.000H+ + 1.000SeO4-2 - 1.000H2O - log_k 20.360 - delta_h -154.570 #kJ/mol - # Enthalpy of formation: -163.1 #kJ/mol #05OLI/NOL - -analytic -6.71946E+0 0E+0 8.07374E+3 0E+0 0E+0 +SeO3 = +2.000H+ +1.000SeO4-2 -1.000H2O + log_k +20.36 + delta_h -154.570 #kJ/mol +# Enthalpy of formation: -163.100 kJ/mol 05OLI/NOL + -analytic -67.19502E-1 00.00000E+0 80.73753E+2 00.00000E+0 00.00000E+0 SeU(cr) -SeU = 1.000U+4 - 3.000H+ + 1.000HSe- + 1.000H2O - 0.500O2 - log_k 80.330 - delta_h -584.663 #kJ/mol - # Enthalpy of formation: -272 #kJ/mol #05OLI/NOL - -analytic -2.20984E+1 0E+0 3.0539E+4 0E+0 0E+0 +SeU = +1.000U+4 -1.000H+ +2.000e- +1.000HSe- + log_k +37.34 + delta_h -304.900 #kJ/mol +# Enthalpy of formation: -272.000 kJ/mol 05OLI/NOL + -analytic -16.07619E+0 00.00000E+0 15.92604E+3 00.00000E+0 00.00000E+0 Si(cr) -Si = 1.000H4(SiO4) - 2.000H2O - 1.000O2 - log_k 149.170 - delta_h -877.400 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -4.54366E+0 0E+0 4.58297E+4 0E+0 0E+0 - -SiO2(am) -SiO2 = 1.000H4(SiO4) - 2.000H2O - log_k -2.710 #00GUN/ARN - delta_h 13.522 #kJ/mol - # Enthalpy of formation: -903.056 #kJ/mol - -analytic -3.41051E-1 0E+0 -7.06302E+2 0E+0 0E+0 +Si = +4.000H+ +4.000e- +1.000H4(SiO4) -4.000H2O + log_k +63.19 + delta_h -317.874 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 75.00866E-1 00.00000E+0 16.60372E+3 00.00000E+0 00.00000E+0 Siderite -Fe(CO3) = 1.000Fe+2 + 1.000CO3-2 - log_k -10.800 #92BRU/WER - delta_h -12.012 #kJ/mol - # Enthalpy of formation: -753.218 #kJ/mol - -analytic -1.29044E+1 0E+0 6.2743E+2 0E+0 0E+0 +Fe(CO3) = +1.000Fe+2 +1.000CO3-2 + log_k -10.68 + delta_h -12.916 #kJ/mol +# Enthalpy of formation: -752.609 kJ/mol 13LEM/BER + -analytic -12.94279E+0 00.00000E+0 67.46497E+1 00.00000E+0 00.00000E+0 + -Vm 29.380 Siderophyllite -KFe2Al3Si2O10(OH)2 = 1.000K+ + 2.000Fe+2 + 3.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O - log_k 40.570 - delta_h -484.778 #kJ/mol - # Enthalpy of formation: -5628.27 #kJ/mol #90HOL/POW - -analytic -4.43593E+1 0E+0 2.53217E+4 0E+0 0E+0 +KFe2Al3Si2O10(OH)2 = +1.000K+ +2.000Fe+2 +3.000Al+3 -14.000H+ +2.000H4(SiO4) +4.000H2O + log_k +40.60 + delta_h -485.368 #kJ/mol +# Enthalpy of formation: -5628.270 kJ/mol 90HOL/POW + -analytic -44.43282E+0 00.00000E+0 25.35254E+3 00.00000E+0 00.00000E+0 + -Vm 150.630 + +SiO2(am) +SiO2 = +1.000H4(SiO4) -2.000H2O + log_k -2.71 #00GUN/ARN + delta_h +13.522 #kJ/mol +# Enthalpy of formation: -903.057 kJ/mol + -analytic -34.10473E-2 00.00000E+0 -70.63033E+1 00.00000E+0 00.00000E+0 + -Vm 29.000 + +Sm(cr) +Sm = +1.000Sm+3 +3.000e- + log_k +116.62 + delta_h -691.198 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 79ROB/HEM + -analytic -44.72692E-1 00.00000E+0 36.10379E+3 00.00000E+0 00.00000E+0 Sm(OH)3(am) -Sm(OH)3 = 1.000Sm+3 - 3.000H+ + 3.000H2O - log_k 17.850 #98DIA/RAG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.785E+1 0E+0 0E+0 0E+0 0E+0 +Sm(OH)3 = +1.000Sm+3 -3.000H+ +3.000H2O + log_k +17.85 #98DIA/RAG + -analytic 17.85000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Sm(OH)3(s) -Sm(OH)3 = 1.000Sm+3 - 3.000H+ + 3.000H2O - log_k 16.130 #98DIA/RAG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.613E+1 0E+0 0E+0 0E+0 0E+0 - -Sm(cr) -Sm = 1.000Sm+3 + 1.500H2O - 3.000H+ - 0.750O2 - log_k 181.105 - delta_h -1110.844 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #79ROB/HEM - -analytic -1.35061E+1 0E+0 5.80233E+4 0E+0 0E+0 +Sm(OH)3 = +1.000Sm+3 -3.000H+ +3.000H2O + log_k +16.13 #98DIA/RAG + -analytic 16.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Sm2(CO3)3(s) -Sm2(CO3)3 = 2.000Sm+3 + 3.000CO3-2 - log_k -34.500 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.45E+1 0E+0 0E+0 0E+0 0E+0 +Sm2(CO3)3 = +2.000Sm+3 +3.000CO3-2 + log_k -34.50 #95SPA/BRU + -analytic -34.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Sm2(SO4)3(s) -Sm2(SO4)3 = 2.000Sm+3 + 3.000SO4-2 - log_k -9.800 #95SPA/BRU - delta_h -211.318 #kJ/mol - # Enthalpy of formation: -3899.1 #kJ/mol #82WAG/EVA - -analytic -4.68213E+1 0E+0 1.10379E+4 0E+0 0E+0 +Sm2(SO4)3 = +2.000Sm+3 +3.000SO4-2 + log_k -9.80 #95SPA/BRU + delta_h -211.316 #kJ/mol +# Enthalpy of formation: -3899.100 kJ/mol 82WAG/EVA + -analytic -46.82097E+0 00.00000E+0 11.03780E+3 00.00000E+0 00.00000E+0 Sm2O3(s) -Sm2O3 = 2.000Sm+3 - 6.000H+ + 3.000H2O - log_k 43.110 - delta_h -355.039 #kJ/mol - # Enthalpy of formation: -1884.849 #kJ/mol - -analytic -1.90901E+1 0E+0 1.8545E+4 0E+0 0E+0 +Sm2O3 = +2.000Sm+3 -6.000H+ +3.000H2O + log_k +43.11 + delta_h -355.036 #kJ/mol +# Enthalpy of formation: -1884.849 kJ/mol + -analytic -19.08964E+0 00.00000E+0 18.54482E+3 00.00000E+0 00.00000E+0 SmCl3:6H2O(s) -SmCl3:6H2O = 1.000Sm+3 + 3.000Cl- + 6.000H2O - log_k 4.800 #96FAL/REA - delta_h -38.311 #kJ/mol - # Enthalpy of formation: -2869.108 #kJ/mol - -analytic -1.91179E+0 0E+0 2.00112E+3 0E+0 0E+0 +SmCl3:6H2O = +1.000Sm+3 +3.000Cl- +6.000H2O + log_k +4.80 #96FAL/REA + delta_h -38.319 #kJ/mol +# Enthalpy of formation: -2869.096 kJ/mol + -analytic -19.13201E-1 00.00000E+0 20.01541E+2 00.00000E+0 00.00000E+0 + +SmCO3OH(cr) +SmOHCO3 = +1.000Sm+3 -1.000H+ +1.000CO3-2 +1.000H2O + log_k -10.23 + delta_h -38.858 #kJ/mol +# Enthalpy of formation: -1613.400 kJ/mol 05ROR/FUG + -analytic -17.03763E+0 00.00000E+0 20.29695E+2 00.00000E+0 00.00000E+0 + +SmCO3OH:0.5H2O(s) +SmOHCO3:0.5H2O = +1.000Sm+3 -1.000H+ +1.000CO3-2 +1.500H2O + log_k -7.31 + delta_h -51.073 #kJ/mol +# Enthalpy of formation: -1744.100 kJ/mol 05ROR/FUG + -analytic -16.25761E+0 00.00000E+0 26.67729E+2 00.00000E+0 00.00000E+0 + +Smectite MX80 +Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.173Fe0.035)O10(OH)2 = +0.009Ca+2 +0.214Mg+2 +0.024K+ +0.409Na+ +0.173Fe+3 +0.035Fe+2 +1.860Al+3 -7.048H+ +3.738H4(SiO4) -2.952H2O + log_k +5.26 + delta_h -184.222 #kJ/mol +# Enthalpy of formation: -5656.370 kJ/mol 12GAI/BLA + -analytic -27.01431E+0 00.00000E+0 96.22585E+2 00.00000E+0 00.00000E+0 + -Vm 134.920 + +Smectite_MX80(3.989H2O) +(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:3.989H2O = +0.009Ca+2 +0.214Mg+2 +0.024K+ +0.409Na+ +0.173Fe+3 +0.035Fe+2 +1.860Al+3 -7.048H+ +3.738H4(SiO4) +1.037H2O + log_k +1.75 + delta_h -157.438 #kJ/mol +# Enthalpy of formation: -6823.330 kJ/mol 12GAI/BLA + -analytic -25.83195E+0 00.00000E+0 82.23559E+2 00.00000E+0 00.00000E+0 + -Vm 207.000 + +Smectite_MX80(5.189H2O) +(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:5.189H2O = +0.009Ca+2 +0.214Mg+2 +0.024K+ +0.409Na+ +0.173Fe+3 +0.035Fe+2 +1.860Al+3 -7.048H+ +3.738H4(SiO4) +2.237H2O + log_k +1.41 + delta_h -149.344 #kJ/mol +# Enthalpy of formation: -7174.420 kJ/mol 12GAI/BLA + -analytic -24.75395E+0 00.00000E+0 78.00780E+2 00.00000E+0 00.00000E+0 + -Vm 228.690 SmF3:0.5H2O(s) -SmF3:0.5H2O = 1.000Sm+3 + 3.000F- + 0.500H2O - log_k -17.500 #95SPA/BRU - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.75E+1 0E+0 0E+0 0E+0 0E+0 - -SmOHCO3(cr) -SmOHCO3 = 1.000Sm+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O - log_k -10.230 - delta_h -38.859 #kJ/mol - # Enthalpy of formation: -1613.4 #kJ/mol #05ROR/FUG - -analytic -1.70378E+1 0E+0 2.02974E+3 0E+0 0E+0 - -SmOHCO3:0.5H2O(cr) -SmOHCO3:0.5H2O = 1.000Sm+3 - 1.000H+ + 1.000CO3-2 + 1.500H2O - log_k -7.310 - delta_h -51.074 #kJ/mol - # Enthalpy of formation: -1744.1 #kJ/mol #05ROR/FUG - -analytic -1.62578E+1 0E+0 2.66778E+3 0E+0 0E+0 +SmF3:0.5H2O = +1.000Sm+3 +3.000F- +0.500H2O + log_k -17.50 #95SPA/BRU + -analytic -17.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 SmPO4:H2O(am) -SmPO4:H2O = 1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O - log_k -5.000 #05CET/WOO - delta_h -26.480 #kJ/mol - # Enthalpy of formation: -2253.149 #kJ/mol #05CET/WOO - -analytic -9.63909E+0 0E+0 1.38314E+3 0E+0 0E+0 +SmPO4:H2O = +1.000Sm+3 -2.000H+ +1.000H2(PO4)- +1.000H2O + log_k -5.00 #05CET/WOO + delta_h -26.479 #kJ/mol +# Enthalpy of formation: -2253.149 kJ/mol 05CET/WOO + -analytic -96.38922E-1 00.00000E+0 13.83094E+2 00.00000E+0 00.00000E+0 SmPO4:H2O(cr) -SmPO4:H2O = 1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O - log_k -6.670 #97LIU/BYR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.67E+0 0E+0 0E+0 0E+0 0E+0 - -SmectiteMX80 -Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.173Fe0.035)O10(OH)2 = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 1.860Al+3 + 3.738H4(SiO4) + 0.035Fe+2 - 2.952H2O - 7.048H+ - log_k 5.270 - delta_h -184.029 #kJ/mol - # Enthalpy of formation: -5656.37 #kJ/mol #12GAI/BLA - -analytic -2.69704E+1 0E+0 9.61249E+3 0E+0 0E+0 - -Smectite_MX80(3.989H2O) -(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:3.989H2O = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 0.035Fe+2 + 1.860Al+3 - 7.048H+ + 3.738H4(SiO4) + 1.037H2O - log_k 1.780 - delta_h -157.245 #kJ/mol - # Enthalpy of formation: -6823.33 #kJ/mol #12GAI/BLA - -analytic -2.57681E+1 0E+0 8.21347E+3 0E+0 0E+0 - -Smectite_MX80(5.189H2O) -(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:5.189H2O = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 0.035Fe+2 + 1.860Al+3 - 7.048H+ + 3.738H4(SiO4) + 2.237H2O - log_k 1.440 - delta_h -149.152 #kJ/mol - # Enthalpy of formation: -7174.42 #kJ/mol #12GAI/BLA - -analytic -2.46903E+1 0E+0 7.79074E+3 0E+0 0E+0 +SmPO4:H2O = +1.000Sm+3 -2.000H+ +1.000H2(PO4)- +1.000H2O + log_k -6.67 #97LIU/BYR + -analytic -66.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Sn(cr,alfa) +Sn = +1.000Sn+2 +2.000e- + log_k +4.82 + delta_h -7.637 #kJ/mol +# Enthalpy of formation: -1.980 kJ/mol 12GAM/GAJ + -analytic 34.82055E-1 00.00000E+0 39.89083E+1 00.00000E+0 00.00000E+0 + +Sn(cr,beta) +Sn = +1.000Sn+2 +2.000e- + log_k +4.80 + delta_h -9.617 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 31.15174E-1 00.00000E+0 50.23309E+1 00.00000E+0 00.00000E+0 Sn(OH)4(s) -Sn(OH)4 = 1.000Sn+4 - 4.000H+ + 4.000H2O - log_k -1.280 #70BAR/KLI in 01SEB/POT - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.28E+0 0E+0 0E+0 0E+0 0E+0 +Sn(OH)4 = +1.000Sn+4 -4.000H+ +4.000H2O + log_k -1.28 #70BAR/KLI in 01SEB/POT; Uncertainty to cover available data. + -analytic -12.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Sn(OH)Cl(s) -Sn(OH)Cl = 1.000Sn+2 - 1.000H+ + 1.000Cl- + 1.000H2O - log_k -2.420 #30RAN/MUR recalculated in 99LOT/OCH - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.42E+0 0E+0 0E+0 0E+0 0E+0 - -Sn(cr)(alfa) -Sn = 1.000Sn+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 47.810 - delta_h -287.400 #kJ/mol - # Enthalpy of formation: -1.98 #kJ/mol #12GAM/GAJ - -analytic -2.54024E+0 0E+0 1.50119E+4 0E+0 0E+0 - -Sn(cr)(beta) -Sn = 1.000Sn+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 47.790 - delta_h -289.380 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -2.90713E+0 0E+0 1.51153E+4 0E+0 0E+0 +Sn(OH)Cl = +1.000Sn+2 -1.000H+ +1.000Cl- +1.000H2O + log_k -2.42 #30RAN/MUR recalculated in 99LOT/OCH + -analytic -24.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 SnO2(am) -SnO2 = 1.000Sn+4 - 4.000H+ + 2.000H2O - log_k -14.770 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.477E+1 0E+0 0E+0 0E+0 0E+0 +SnO2 = +1.000Sn+4 -4.000H+ +2.000H2O + log_k -14.77 + -analytic -14.77000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 SnSe(alfa) -SnSe = 1.000Sn+2 - 1.000H+ + 1.000HSe- - log_k -21.670 - delta_h 114.183 #kJ/mol - # Enthalpy of formation: -109.5 #kJ/mol #05OLI/NOL - -analytic -1.66603E+0 0E+0 -5.96418E+3 0E+0 0E+0 +SnSe = +1.000Sn+2 -1.000H+ +1.000HSe- + log_k -21.67 + delta_h +114.183 #kJ/mol +# Enthalpy of formation: -109.500 kJ/mol 05OLI/NOL + -analytic -16.65997E-1 00.00000E+0 -59.64193E+2 00.00000E+0 00.00000E+0 SnSe2(s) -SnSe2 = 1.000Sn+2 + 2.000HSe- - 1.000H2O + 0.500O2 - log_k -73.780 - delta_h 413.646 #kJ/mol - # Enthalpy of formation: -114.9 #kJ/mol #05OLI/NOL - -analytic -1.31244E+0 0E+0 -2.16062E+4 0E+0 0E+0 - -Soddyite(synt1) -(UO2)2SiO4:2H2O = 2.000UO2+2 - 4.000H+ + 1.000H4(SiO4) + 2.000H2O - log_k 3.900 #97PER/CAS - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0 - -Soddyite(synt2) -(UO2)2SiO4:2H2O = 2.000UO2+2 - 4.000H+ + 1.000H4(SiO4) + 2.000H2O - log_k 6.430 #07GOR/MAZ - delta_h -25.454 #kJ/mol - # Enthalpy of formation: -4045.4 #kJ/mol #07GOR/MAZ - -analytic 1.97066E+0 0E+0 1.32955E+3 0E+0 0E+0 +SnSe2 = +1.000Sn+2 -2.000H+ -2.000e- +2.000HSe- + log_k -30.79 + delta_h +133.883 #kJ/mol +# Enthalpy of formation: -114.900 kJ/mol 05OLI/NOL + -analytic -73.34705E-1 00.00000E+0 -69.93196E+2 00.00000E+0 00.00000E+0 + +Soddyite +(UO2)2SiO4:2H2O = +2.000UO2+2 -4.000H+ +1.000H4(SiO4) +2.000H2O + log_k +5.75 #20GRE/GAO + -analytic 57.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Sodium-compreignacite -Na2(UO2)6O4(OH)6:7H2O = 2.000Na+ + 6.000UO2+2 - 14.000H+ + 17.000H2O - log_k 39.400 #08GOR/FEI - delta_h -517.390 #kJ/mol - # Enthalpy of formation: -10936.4 #kJ/mol #06KUB/HEL - -analytic -5.12427E+1 0E+0 2.70251E+4 0E+0 0E+0 +Na2(UO2)6O4(OH)6:7H2O = +2.000Na+ +6.000UO2+2 -14.000H+ +17.000H2O + log_k +39.40 #08GOR/FEI + delta_h -517.390 #kJ/mol +# Enthalpy of formation: -10936.400kJ/mol 06KUB/HEL + -analytic -51.24284E+0 00.00000E+0 27.02516E+3 00.00000E+0 00.00000E+0 Sphaerocobaltite -CoCO3 = 1.000Co+2 + 1.000CO3-2 - log_k -11.200 #99GRA2 - delta_h -9.421 #kJ/mol - # Enthalpy of formation: -723.409 #kJ/mol - -analytic -1.28505E+1 0E+0 4.92092E+2 0E+0 0E+0 +CoCO3 = +1.000Co+2 +1.000CO3-2 + log_k -11.20 #99GRA2 + delta_h -9.421 #kJ/mol +# Enthalpy of formation: -723.409 kJ/mol + -analytic -12.85049E+0 00.00000E+0 49.20931E+1 00.00000E+0 00.00000E+0 + +Sr(cr) +Sr = +1.000Sr+2 +2.000e- + log_k +98.79 + delta_h -550.900 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 98CHA + -analytic 22.76463E-1 00.00000E+0 28.77551E+3 00.00000E+0 00.00000E+0 Sr(HPO4)(s) -Sr(HPO4) = 1.000Sr+2 - 1.000H+ + 1.000H2(PO4)- - log_k 0.280 #97MAR/SMI - delta_h -19.487 #kJ/mol - # Enthalpy of formation: -1834.012 #kJ/mol - -analytic -3.13397E+0 0E+0 1.01788E+3 0E+0 0E+0 +Sr(HPO4) = +1.000Sr+2 -1.000H+ +1.000H2(PO4)- + log_k +0.28 #97MAR/SMI + delta_h -19.487 #kJ/mol +# Enthalpy of formation: -1834.013 kJ/mol + -analytic -31.33976E-1 00.00000E+0 10.17877E+2 00.00000E+0 00.00000E+0 Sr(NO3)2(cr) -Sr(NO3)2 = 1.000Sr+2 + 2.000NO3- - log_k 0.400 - delta_h 17.760 #kJ/mol - # Enthalpy of formation: -982.36 #kJ/mol #92GRE/FUG - -analytic 3.51141E+0 0E+0 -9.27668E+2 0E+0 0E+0 +Sr(NO3)2 = +1.000Sr+2 +2.000NO3- + log_k +0.40 + delta_h +17.760 #kJ/mol +# Enthalpy of formation: -982.360 kJ/mol 92GRE/FUG + -analytic 35.11418E-1 00.00000E+0 -92.76694E+1 00.00000E+0 00.00000E+0 Sr(NO3)2:2H2O(s) -Sr(NO3)2:2H2O = 1.000Sr+2 + 2.000NO3- + 2.000H2O - log_k 0.050 #25/08/1994 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 5E-2 0E+0 0E+0 0E+0 0E+0 +Sr(NO3)2:2H2O = +1.000Sr+2 +2.000NO3- +2.000H2O + log_k +0.05 #25/08/1994 + -analytic 50.00000E-3 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Sr(NO3)2:4H2O(s) -Sr(NO3)2:4H2O = 1.000Sr+2 + 2.000NO3- + 4.000H2O - log_k -0.870 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -8.7E-1 0E+0 0E+0 0E+0 0E+0 +Sr(NO3)2:4H2O = +1.000Sr+2 +2.000NO3- +4.000H2O + log_k -0.87 #96FAL/REA + -analytic -87.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Sr(OH)2(s) -Sr(OH)2 = 1.000Sr+2 - 2.000H+ + 2.000H2O - log_k 27.510 - delta_h -153.670 #kJ/mol - # Enthalpy of formation: -968.89 #kJ/mol #98CHA - -analytic 5.88211E-1 0E+0 8.02673E+3 0E+0 0E+0 +Sr(OH)2 = +1.000Sr+2 -2.000H+ +2.000H2O + log_k +27.51 + delta_h -153.670 #kJ/mol +# Enthalpy of formation: -968.890 kJ/mol 98CHA + -analytic 58.81716E-2 00.00000E+0 80.26743E+2 00.00000E+0 00.00000E+0 Sr(OH)2:8H2O(s) -Sr(OH)2:8H2O = 1.000Sr+2 - 2.000H+ + 10.000H2O - log_k 24.320 #98FEL/DIX - delta_h -57.000 #kJ/mol - # Enthalpy of formation: -3352.2 #kJ/mol #82WAG/EVA - -analytic 1.4334E+1 0E+0 2.97731E+3 0E+0 0E+0 +Sr(OH)2:8H2O = +1.000Sr+2 -2.000H+ +10.000H2O + log_k +24.32 #98FEL/DIX + delta_h -57.000 #kJ/mol +# Enthalpy of formation: -3352.200 kJ/mol 82WAG/EVA + -analytic 14.33403E+0 00.00000E+0 29.77317E+2 00.00000E+0 00.00000E+0 Sr(SeO3)(cr) -Sr(SeO3) = 1.000Sr+2 + 1.000SeO3-2 - log_k -6.300 #05OLI/NOL - delta_h -6.160 #kJ/mol - # Enthalpy of formation: -1051.9 #kJ/mol #05OLI/NOL - -analytic -7.37918E+0 0E+0 3.21759E+2 0E+0 0E+0 +Sr(SeO3) = +1.000Sr+2 +1.000SeO3-2 + log_k -6.30 #05OLI/NOL + delta_h -6.160 #kJ/mol +# Enthalpy of formation: -1051.900 kJ/mol 05OLI/NOL + -analytic -73.79186E-1 00.00000E+0 32.17592E+1 00.00000E+0 00.00000E+0 Sr(SeO4)(s) -Sr(SeO4) = 1.000Sr+2 + 1.000SeO4-2 - log_k -4.350 #Original source 59SEL/ZUB recalculated in 05OLI/NOL - delta_h -21.841 #kJ/mol - # Enthalpy of formation: -1132.559 #kJ/mol - -analytic -8.17637E+0 0E+0 1.14083E+3 0E+0 0E+0 - -Sr(cr) -Sr = 1.000Sr+2 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 141.780 - delta_h -830.663 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol - -analytic -3.7457E+0 0E+0 4.33885E+4 0E+0 0E+0 +Sr(SeO4) = +1.000Sr+2 +1.000SeO4-2 + log_k -4.35 #Original source 59SEL/ZUB recalculated in 05OLI/NOL + delta_h -21.841 #kJ/mol +# Enthalpy of formation: -1132.559 kJ/mol + -analytic -81.76379E-1 00.00000E+0 11.40835E+2 00.00000E+0 00.00000E+0 Sr2SiO4(s) -Sr2SiO4 = 2.000Sr+2 - 4.000H+ + 1.000H4(SiO4) - log_k 43.250 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 4.325E+1 0E+0 0E+0 0E+0 0E+0 +Sr2SiO4 = +2.000Sr+2 -4.000H+ +1.000H4(SiO4) + log_k +43.25 + -analytic 43.25000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Sr3(AsO4)2(s) -Sr3(AsO4)2 = 3.000Sr+2 + 2.000AsO4-3 - log_k -16.080 - delta_h -109.493 #kJ/mol - # Enthalpy of formation: -3319.487 #kJ/mol - -analytic -3.52623E+1 0E+0 5.71921E+3 0E+0 0E+0 +Sr3(AsO4)2 = +3.000Sr+2 +2.000AsO4-3 + log_k -16.08 + delta_h -109.504 #kJ/mol +# Enthalpy of formation: -3319.478 kJ/mol + -analytic -35.26428E+0 00.00000E+0 57.19792E+2 00.00000E+0 00.00000E+0 Sr3(PO4)2(s) -Sr3(PO4)2 = 3.000Sr+2 - 4.000H+ + 2.000H2(PO4)- - log_k 10.530 #06BLA/IGN - delta_h -147.900 #kJ/mol - # Enthalpy of formation: -4110 #kJ/mol #97KHA/JEM - -analytic -1.53809E+1 0E+0 7.72534E+3 0E+0 0E+0 +Sr3(PO4)2 = +3.000Sr+2 -4.000H+ +2.000H2(PO4)- + log_k +10.53 #06BLA/IGN + delta_h -147.900 #kJ/mol +# Enthalpy of formation: -4110.000 kJ/mol 97KHA/JEM + -analytic -15.38097E+0 00.00000E+0 77.25355E+2 00.00000E+0 00.00000E+0 Sr5(PO4)3(OH)(s) -Sr5(PO4)3(OH) = 5.000Sr+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O - log_k 7.170 #05KIM/PAR - delta_h -261.630 #kJ/mol - # Enthalpy of formation: -6686.5 #kJ/mol #95JEM/CHE - -analytic -3.86655E+1 0E+0 1.36659E+4 0E+0 0E+0 +Sr5(PO4)3(OH) = +5.000Sr+2 -7.000H+ +3.000H2(PO4)- +1.000H2O + log_k +7.17 #05KIM/PAR + delta_h -261.630 #kJ/mol +# Enthalpy of formation: -6686.500 kJ/mol 95JEM/CHE + -analytic -38.66561E+0 00.00000E+0 13.66589E+3 00.00000E+0 00.00000E+0 SrBr2(s) -SrBr2 = 1.000Sr+2 + 2.000Br- - log_k 12.500 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.25E+1 0E+0 0E+0 0E+0 0E+0 +SrBr2 = +1.000Sr+2 +2.000Br- + log_k +12.50 #96FAL/REA + -analytic 12.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 SrBr2:6H2O(s) -SrBr2:6H2O = 1.000Sr+2 + 2.000Br- + 6.000H2O - log_k 2.820 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 2.82E+0 0E+0 0E+0 0E+0 0E+0 +SrBr2:6H2O = +1.000Sr+2 +2.000Br- +6.000H2O + log_k +2.82 #96FAL/REA + -analytic 28.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 SrBr2:H2O(s) -SrBr2:H2O = 1.000Sr+2 + 2.000Br- + 1.000H2O - log_k 8.800 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.8E+0 0E+0 0E+0 0E+0 0E+0 +SrBr2:H2O = +1.000Sr+2 +2.000Br- +1.000H2O + log_k +8.80 #96FAL/REA + -analytic 88.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 SrCl2(s) -SrCl2 = 1.000Sr+2 + 2.000Cl- - log_k 8.120 - delta_h -56.210 #kJ/mol - # Enthalpy of formation: -828.85 #kJ/mol #98CHA - -analytic -1.72755E+0 0E+0 2.93605E+3 0E+0 0E+0 +SrCl2 = +1.000Sr+2 +2.000Cl- + log_k +8.12 + delta_h -56.210 #kJ/mol +# Enthalpy of formation: -828.850 kJ/mol 98CHA + -analytic -17.27569E-1 00.00000E+0 29.36053E+2 00.00000E+0 00.00000E+0 SrCl2:2H2O(s) -SrCl2:2H2O = 1.000Sr+2 + 2.000Cl- + 2.000H2O - log_k 3.470 - delta_h -18.720 #kJ/mol - # Enthalpy of formation: -1438 #kJ/mol #82WAG/EVA - -analytic 1.90402E-1 0E+0 9.77812E+2 0E+0 0E+0 +SrCl2:2H2O = +1.000Sr+2 +2.000Cl- +2.000H2O + log_k +3.47 + delta_h -18.720 #kJ/mol +# Enthalpy of formation: -1438.000 kJ/mol 82WAG/EVA + -analytic 19.03968E-2 00.00000E+0 97.78137E+1 00.00000E+0 00.00000E+0 SrCl2:6H2O(s) -SrCl2:6H2O = 1.000Sr+2 + 2.000Cl- + 6.000H2O - log_k 1.610 - delta_h 23.760 #kJ/mol - # Enthalpy of formation: -2623.8 #kJ/mol #82WAG/EVA - -analytic 5.77257E+0 0E+0 -1.24107E+3 0E+0 0E+0 +SrCl2:6H2O = +1.000Sr+2 +2.000Cl- +6.000H2O + log_k +1.61 + delta_h +23.760 #kJ/mol +# Enthalpy of formation: -2623.800 kJ/mol 82WAG/EVA + -analytic 57.72573E-1 00.00000E+0 -12.41071E+2 00.00000E+0 00.00000E+0 SrCl2:H2O(s) -SrCl2:H2O = 1.000Sr+2 + 2.000Cl- + 1.000H2O - log_k 4.910 - delta_h -34.090 #kJ/mol - # Enthalpy of formation: -1136.8 #kJ/mol #82WAG/EVA - -analytic -1.0623E+0 0E+0 1.78064E+3 0E+0 0E+0 +SrCl2:H2O = +1.000Sr+2 +2.000Cl- +1.000H2O + log_k +4.91 + delta_h -34.090 #kJ/mol +# Enthalpy of formation: -1136.800 kJ/mol 82WAG/EVA + -analytic -10.62312E-1 00.00000E+0 17.80645E+2 00.00000E+0 00.00000E+0 SrCrO4(s) -SrCrO4 = 1.000Sr+2 + 1.000CrO4-2 - log_k -4.650 #97MAR/SMI - delta_h -10.125 #kJ/mol #97MAR/SMI - # Enthalpy of formation: -1419.775 #kJ/mol - -analytic -6.42382E+0 0E+0 5.28865E+2 0E+0 0E+0 +SrCrO4 = +1.000Sr+2 +1.000CrO4-2 + log_k -4.65 #97MAR/SMI + delta_h -10.125 #kJ/mol 97MAR/SMI +# Enthalpy of formation: -1419.775 kJ/mol + -analytic -64.23824E-1 00.00000E+0 52.88656E+1 00.00000E+0 00.00000E+0 SrF2(cr) -SrF2 = 1.000Sr+2 + 2.000F- - log_k -8.540 #96FAL/REA - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -8.54E+0 0E+0 0E+0 0E+0 0E+0 +SrF2 = +1.000Sr+2 +2.000F- + log_k -8.54 #96FAL/REA + -analytic -85.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 SrMoO4(s) -SrMoO4 = 1.000Sr+2 + 1.000MoO4-2 - log_k -6.590 #54RAO in 74OHA/KEN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -6.59E+0 0E+0 0E+0 0E+0 0E+0 +SrMoO4 = +1.000Sr+2 +1.000MoO4-2 + log_k -6.59 #54RAO in 74OHA/KEN + -analytic -65.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 SrO(cr) -SrO = 1.000Sr+2 - 2.000H+ + 1.000H2O - log_k 41.980 - delta_h -244.690 #kJ/mol - # Enthalpy of formation: -592.04 #kJ/mol #98CHA - -analytic -8.87785E-1 0E+0 1.2781E+4 0E+0 0E+0 +SrO = +1.000Sr+2 -2.000H+ +1.000H2O + log_k +41.98 + delta_h -244.690 #kJ/mol +# Enthalpy of formation: -592.040 kJ/mol 98CHA + -analytic -88.78479E-2 00.00000E+0 12.78105E+3 00.00000E+0 00.00000E+0 SrS(s) -SrS = 1.000Sr+2 - 1.000H+ + 1.000HS- - log_k 14.680 # - delta_h -93.570 #kJ/mol - # Enthalpy of formation: -473.63 #kJ/mol #82WAG/EVA - -analytic -1.71274E+0 0E+0 4.88749E+3 0E+0 0E+0 +SrS = +1.000Sr+2 -1.000H+ +1.000HS- + log_k +14.68 + delta_h -93.570 #kJ/mol +# Enthalpy of formation: -473.630 kJ/mol 82WAG/EVA + -analytic -17.12760E-1 00.00000E+0 48.87501E+2 00.00000E+0 00.00000E+0 SrSiO3(s) -SrSiO3 = 1.000Sr+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O - log_k 13.160 - delta_h -80.278 #kJ/mol - # Enthalpy of formation: -1645.986 #kJ/mol #74NAU/RYZ - -analytic -9.04081E-1 0E+0 4.19321E+3 0E+0 0E+0 +SrSiO3 = +1.000Sr+2 -2.000H+ +1.000H4(SiO4) -1.000H2O + log_k +13.16 + delta_h -80.278 #kJ/mol +# Enthalpy of formation: -1645.986 kJ/mol 74NAU/RYZ + -analytic -90.41019E-2 00.00000E+0 41.93212E+2 00.00000E+0 00.00000E+0 SrZrSi2O7(cr) -SrZrSi2O7 = 1.000Sr+2 - 6.000H+ + 2.000H4(SiO4) + 1.000Zr+4 - 1.000H2O - log_k 5.200 - delta_h -155.158 #kJ/mol - # Enthalpy of formation: -3640.8 #kJ/mol #05BRO/CUR - -analytic -2.19825E+1 0E+0 8.10445E+3 0E+0 0E+0 +SrZrSi2O7 = +1.000Sr+2 -6.000H+ +2.000H4(SiO4) +1.000Zr+4 -1.000H2O + log_k +5.20 + delta_h -155.158 #kJ/mol +# Enthalpy of formation: -3640.800 kJ/mol 05BRO/CUR + -analytic -21.98251E+0 00.00000E+0 81.04467E+2 00.00000E+0 00.00000E+0 Stellerite -Ca2Al4Si14O36:14H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 14.000H4(SiO4) - 6.000H2O - log_k 6.990 - delta_h -325.096 #kJ/mol - # Enthalpy of formation: -21656.24 #kJ/mol #01FRI/NEU - -analytic -4.99643E+1 0E+0 1.69809E+4 0E+0 0E+0 +Ca2Al4Si14O36:14H2O = +2.000Ca+2 +4.000Al+3 -16.000H+ +14.000H4(SiO4) -6.000H2O + log_k +6.92 + delta_h -325.096 #kJ/mol +# Enthalpy of formation: -21656.240kJ/mol 01FRI/NEU + -analytic -50.03437E+0 00.00000E+0 16.98095E+3 00.00000E+0 00.00000E+0 + -Vm 666.500 Stibnite -Sb2S3 = 3.000H+ + 3.000HS- + 2.000Sb(OH)3 - 6.000H2O - log_k -56.030 - delta_h 269.695 #kJ/mol - # Enthalpy of formation: -151.4 #kJ/mol #95ROB/HEM - -analytic -8.78153E+0 0E+0 -1.40871E+4 0E+0 0E+0 +Sb2S3 = +3.000H+ +3.000HS- +2.000Sb(OH)3 -6.000H2O + log_k -56.03 + delta_h +269.694 #kJ/mol +# Enthalpy of formation: -151.400 kJ/mol 95ROB/HEM + -analytic -87.81639E-1 00.00000E+0 -14.08710E+3 00.00000E+0 00.00000E+0 Stilbite -NaCa2(Al5Si13)O36:16H2O = 2.000Ca+2 + 1.000Na+ + 5.000Al+3 - 20.000H+ + 13.000H4(SiO4) - log_k 23.050 - delta_h -434.152 #kJ/mol - # Enthalpy of formation: -22579.71 #kJ/mol #01FRI/NEU - -analytic -5.30101E+1 0E+0 2.26773E+4 0E+0 0E+0 +NaCa2(Al5Si13)O36:16H2O = +2.000Ca+2 +1.000Na+ +5.000Al+3 -20.000H+ +13.000H4(SiO4) + log_k +22.97 + delta_h -434.152 #kJ/mol +# Enthalpy of formation: -22579.710kJ/mol 01FRI/NEU + -analytic -53.09017E+0 00.00000E+0 22.67734E+3 00.00000E+0 00.00000E+0 + -Vm 664.700 Stilleite -ZnSe = 1.000Zn+2 - 1.000H+ + 1.000HSe- - log_k -12.050 - delta_h 36.910 #kJ/mol - # Enthalpy of formation: -176 #kJ/mol #05OLI/NOL - -analytic -5.58366E+0 0E+0 -1.92794E+3 0E+0 0E+0 +ZnSe = +1.000Zn+2 -1.000H+ +1.000HSe- + log_k -12.05 + delta_h +36.910 #kJ/mol +# Enthalpy of formation: -176.000 kJ/mol 05OLI/NOL + -analytic -55.83646E-1 00.00000E+0 -19.27944E+2 00.00000E+0 00.00000E+0 Stratlingite -Ca2Al2SiO3(OH)8:4H2O = 2.000Ca+2 + 2.000Al+3 - 10.000H+ + 1.000H4(SiO4) + 11.000H2O - log_k 49.660 #10BLA/BOU2 - delta_h -397.795 #kJ/mol - # Enthalpy of formation: -6370.329 #kJ/mol - -analytic -2.00306E+1 0E+0 2.07782E+4 0E+0 0E+0 +Ca2Al2SiO3(OH)8:4H2O = +2.000Ca+2 +2.000Al+3 -10.000H+ +1.000H4(SiO4) +11.000H2O + log_k +49.66 #10BLA/BOU2 + delta_h -397.949 #kJ/mol +# Enthalpy of formation: -6370.171 kJ/mol + -analytic -20.05767E+0 00.00000E+0 20.78632E+3 00.00000E+0 00.00000E+0 + -Vm 215.630 Strontianite -Sr(CO3) = 1.000Sr+2 + 1.000CO3-2 - log_k -9.270 #84BUS/PLU - delta_h -0.366 #kJ/mol - # Enthalpy of formation: -1225.764 #kJ/mol - -analytic -9.33412E+0 0E+0 1.91175E+1 0E+0 0E+0 +Sr(CO3) = +1.000Sr+2 +1.000CO3-2 + log_k -9.27 #84BUS/PLU + delta_h -0.366 #kJ/mol +# Enthalpy of formation: -1225.765 kJ/mol + -analytic -93.34120E-1 00.00000E+0 19.11751E+0 00.00000E+0 00.00000E+0 Sudoite -Mg2Al4Si3O10(OH)8 = 2.000Mg+2 + 4.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O - log_k 37.960 - delta_h -530.892 #kJ/mol - # Enthalpy of formation: -8655.27 #kJ/mol #05VID/PAR - -analytic -5.50481E+1 0E+0 2.77304E+4 0E+0 0E+0 +Mg2Al4Si3O10(OH)8 = +2.000Mg+2 +4.000Al+3 -16.000H+ +3.000H4(SiO4) +6.000H2O + log_k +37.93 + delta_h -530.892 #kJ/mol +# Enthalpy of formation: -8655.270 kJ/mol 05VID/PAR + -analytic -55.07829E+0 00.00000E+0 27.73042E+3 00.00000E+0 00.00000E+0 + -Vm 205.100 Sylvite -KCl = 1.000K+ + 1.000Cl- - log_k 0.870 - delta_h 17.460 #kJ/mol - # Enthalpy of formation: -436.68 #kJ/mol #98CHA - -analytic 3.92886E+0 0E+0 -9.11998E+2 0E+0 0E+0 +KCl = +1.000K+ +1.000Cl- + log_k +0.87 + delta_h +17.460 #kJ/mol +# Enthalpy of formation: -436.680 kJ/mol 98CHA + -analytic 39.28861E-1 00.00000E+0 -91.19993E+1 00.00000E+0 00.00000E+0 + -Vm 37.520 Syngenite -K2Ca(SO4)2:6H2O = 1.000Ca+2 + 2.000K+ + 2.000SO4-2 + 6.000H2O - log_k -7.450 #84HAR/MOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -7.45E+0 0E+0 0E+0 0E+0 0E+0 +K2Ca(SO4)2:6H2O = +1.000Ca+2 +2.000K+ +2.000SO4-2 +6.000H2O + log_k -7.45 #84HAR/MOL + -analytic -74.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Tachyhydrite -Mg2CaCl6:12H2O = 1.000Ca+2 + 2.000Mg+2 + 6.000Cl- + 12.000H2O - log_k 17.380 #84HAR/MOL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.738E+1 0E+0 0E+0 0E+0 0E+0 +Mg2CaCl6:12H2O = +1.000Ca+2 +2.000Mg+2 +6.000Cl- +12.000H2O + log_k +17.38 #84HAR/MOL + -analytic 17.38000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Talc -Mg3Si4O10(OH)2 = 3.000Mg+2 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O - log_k 24.940 - delta_h -210.356 #kJ/mol - # Enthalpy of formation: -5892.1 #kJ/mol #01KAH/MAR - -analytic -1.19127E+1 0E+0 1.09876E+4 0E+0 0E+0 +Mg3Si4O10(OH)2 = +3.000Mg+2 -6.000H+ +4.000H4(SiO4) -4.000H2O + log_k +24.92 + delta_h -210.356 #kJ/mol +# Enthalpy of formation: -5892.100 kJ/mol 01KAH/MAR + -analytic -11.93279E+0 00.00000E+0 10.98766E+3 00.00000E+0 00.00000E+0 + -Vm 136.200 Tc(cr) -Tc = 1.000TcO(OH)2 - 1.000H2O - 1.000O2 - log_k 60.900 - delta_h -451.356 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #99RAR/RAN - -analytic -1.81741E+1 0E+0 2.35759E+4 0E+0 0E+0 - -Tc2O7(s) -Tc2O7 = 2.000H+ + 2.000TcO4- - 1.000H2O - log_k 15.310 - delta_h -46.470 #kJ/mol - # Enthalpy of formation: -1126.5 #kJ/mol #99RAR/RAN - -analytic 7.16882E+0 0E+0 2.42729E+3 0E+0 0E+0 +Tc = +1.000TcO(OH)2 +4.000H+ +4.000e- -3.000H2O + log_k -24.34 + delta_h +108.247 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 99RAR/RAN + -analytic -53.75940E-1 00.00000E+0 -56.54135E+2 00.00000E+0 00.00000E+0 + +Tc2O7(cr) +Tc2O7 = +2.000H+ +2.000TcO4- -1.000H2O + log_k +15.31 + delta_h -46.470 #kJ/mol +# Enthalpy of formation: -1126.500 kJ/mol 99RAR/RAN + -analytic 71.68805E-1 00.00000E+0 24.27297E+2 00.00000E+0 00.00000E+0 Tc2O7:H2O(s) -Tc2O7:H2O = 2.000H+ + 2.000TcO4- - log_k 14.100 - delta_h -44.654 #kJ/mol - # Enthalpy of formation: -1414.146 #kJ/mol #99RAR/RAN - -analytic 6.27697E+0 0E+0 2.33244E+3 0E+0 0E+0 +Tc2O7:H2O = +2.000H+ +2.000TcO4- + log_k +14.11 + delta_h -44.654 #kJ/mol +# Enthalpy of formation: -1414.146 kJ/mol 99RAR/RAN + -analytic 62.86955E-1 00.00000E+0 23.32441E+2 00.00000E+0 00.00000E+0 + +TcO2(aged) +TcO2 = +1.000TcO(OH)2 -1.000H2O + log_k -8.72 #20GRE/GAO + -analytic -87.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 TcO2(cr) -TcO2 = 1.000TcO(OH)2 - 1.000H2O - log_k -9.140 #97NGU/LAN - delta_h -5.690 #kJ/mol - # Enthalpy of formation: -457.8 #kJ/mol #99RAR/RAN - -analytic -1.01368E+1 0E+0 2.97209E+2 0E+0 0E+0 - -TcO2:1.63H2O(s) -TcO2:1.63H2O = 1.000TcO(OH)2 + 0.630H2O - log_k -8.400 #99RAR/RAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -8.4E+0 0E+0 0E+0 0E+0 0E+0 +TcO2 = +1.000TcO(OH)2 -1.000H2O + log_k -9.15 #97NGU/LAN + delta_h -5.613 #kJ/mol +# Enthalpy of formation: -457.800 kJ/mol 20GRE/GAO + -analytic -10.13336E+0 00.00000E+0 29.31874E+1 00.00000E+0 00.00000E+0 + +TcO2(fresh) +TcO2 = +1.000TcO(OH)2 -1.000H2O + log_k -7.66 #20GRE/GAO + -analytic -76.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Th(cr) +Th = +1.000Th+4 +4.000e- + log_k +123.47 + delta_h -768.700 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 09RAN/FUG + -analytic -11.20046E+0 00.00000E+0 40.15200E+3 00.00000E+0 00.00000E+0 Th(HPO4)2(s) -Th(HPO4)2 = 1.000Th+4 - 2.000H+ + 2.000H2(PO4)- - log_k -16.110 #Estimated from An(IV) correlations - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.611E+1 0E+0 0E+0 0E+0 0E+0 +Th(HPO4)2 = +1.000Th+4 -2.000H+ +2.000H2(PO4)- + log_k -16.11 #Estimated from An(IV) correlations + -analytic -16.11000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Th(SO4)2:9H2O(cr) -Th(SO4)2:9H2O = 1.000Th+4 + 2.000SO4-2 + 9.000H2O - log_k -11.250 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.125E+1 0E+0 0E+0 0E+0 0E+0 +Th(SO4)2:9H2O = +1.000Th+4 +2.000SO4-2 +9.000H2O + log_k -11.25 #09RAN/FUG + -analytic -11.25000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Thenardite +Na2SO4 = +2.000Na+ +1.000SO4-2 + log_k -0.36 + delta_h -2.200 #kJ/mol +# Enthalpy of formation: -1387.820 kJ/mol 98CHA + -analytic -74.54235E-2 00.00000E+0 11.49140E+1 00.00000E+0 00.00000E+0 + -Vm 53.330 -Th(cr) -Th = 1.000Th+4 + 2.000H2O - 4.000H+ - 1.000O2 - log_k 209.450 - delta_h -1328.226 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #09RAN/FUG - -analytic -2.32449E+1 0E+0 6.9378E+4 0E+0 0E+0 +Thermonatrite +Na2(CO3):H2O = +2.000Na+ +1.000CO3-2 +1.000H2O + log_k +0.48 #84HAR/MOL + delta_h -12.040 #kJ/mol +# Enthalpy of formation: -1429.700 kJ/mol 82VAN + -analytic -16.29317E-1 00.00000E+0 62.88930E+1 00.00000E+0 00.00000E+0 ThF4(cr) -ThF4 = 1.000Th+4 + 4.000F- - log_k -19.110 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.911E+1 0E+0 0E+0 0E+0 0E+0 +ThF4 = +1.000Th+4 +4.000F- + log_k -30.63 + delta_h +74.611 #kJ/mol +# Enthalpy of formation: -2184.710 kJ/mol + -analytic -17.55871E+0 00.00000E+0 -38.97204E+2 00.00000E+0 00.00000E+0 ThO2(aged) -ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O - log_k 8.500 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0 +ThO2 = +1.000Th+4 -4.000H+ +2.000H2O + log_k +8.50 #09RAN/FUG + -analytic 85.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 ThO2(coll) -ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O - log_k 11.100 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.11E+1 0E+0 0E+0 0E+0 0E+0 +ThO2 = +1.000Th+4 -4.000H+ +2.000H2O + log_k +11.10 #09RAN/FUG + -analytic 11.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 ThO2(cr) -ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O - log_k 1.770 - delta_h -113.960 #kJ/mol - # Enthalpy of formation: -1226.4 #kJ/mol #09RAN/FUG - -analytic -1.81949E+1 0E+0 5.95254E+3 0E+0 0E+0 +ThO2 = +1.000Th+4 -4.000H+ +2.000H2O + log_k +1.77 + delta_h -113.960 #kJ/mol +# Enthalpy of formation: -1226.400 kJ/mol 09RAN/FUG + -analytic -18.19493E+0 00.00000E+0 59.52545E+2 00.00000E+0 00.00000E+0 ThO2(fresh) -ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O - log_k 9.300 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.3E+0 0E+0 0E+0 0E+0 0E+0 +ThO2 = +1.000Th+4 -4.000H+ +2.000H2O + log_k +9.30 #09RAN/FUG + -analytic 93.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 ThO2(mcr) -ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O - log_k 3.000 #09RAN/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 3E+0 0E+0 0E+0 0E+0 0E+0 - -Thermonatrite -Na2(CO3):H2O = 2.000Na+ + 1.000CO3-2 + 1.000H2O - log_k 0.480 #84HAR/MOL - delta_h -12.040 #kJ/mol - # Enthalpy of formation: -1429.7 #kJ/mol #82VAN - -analytic -1.62931E+0 0E+0 6.28892E+2 0E+0 0E+0 - -Thernardite -Na2SO4 = 2.000Na+ + 1.000SO4-2 - log_k -0.360 - delta_h -2.200 #kJ/mol - # Enthalpy of formation: -1387.82 #kJ/mol #98CHA - -analytic -7.45423E-1 0E+0 1.14914E+2 0E+0 0E+0 - -Tiemannite -HgSe = 1.000Hg+2 - 1.000H+ + 1.000HSe- - log_k -45.430 - delta_h 241.521 #kJ/mol - # Enthalpy of formation: -57.011 #kJ/mol - -analytic -3.1174E+0 0E+0 -1.26155E+4 0E+0 0E+0 +ThO2 = +1.000Th+4 -4.000H+ +2.000H2O + log_k +3.00 #09RAN/FUG + -analytic 30.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Tobermorite-11A -Ca5Si6O16.5(OH):5H2O = 5.000Ca+2 - 10.000H+ + 6.000H4(SiO4) - 1.500H2O - log_k 65.580 #10BLA/BOU1 - delta_h -372.499 #kJ/mol - # Enthalpy of formation: -10680.92 #kJ/mol #00ZUE/FEH - -analytic 3.21072E-1 0E+0 1.94569E+4 0E+0 0E+0 +Ca5Si6O16.5(OH):5H2O = +5.000Ca+2 -10.000H+ +6.000H4(SiO4) -1.500H2O + log_k +65.58 #10BLA/BOU1 + delta_h -372.499 #kJ/mol +# Enthalpy of formation: -10680.920kJ/mol 00ZUE/FEH + -analytic 32.09765E-2 00.00000E+0 19.45698E+3 00.00000E+0 00.00000E+0 + -Vm 286.190 Tobermorite-14A -Ca5Si6O16.5(OH):10H2O = 5.000Ca+2 - 10.000H+ + 6.000H4(SiO4) + 3.500H2O - log_k 62.940 #10BLA/BOU1 - delta_h -307.419 #kJ/mol - # Enthalpy of formation: -12175.15 #kJ/mol #10BLA/BOU1 - -analytic 9.08258E+0 0E+0 1.60576E+4 0E+0 0E+0 +Ca5Si6O16.5(OH):10H2O = +5.000Ca+2 -10.000H+ +6.000H4(SiO4) +3.500H2O + log_k +62.94 #10BLA/BOU1 + delta_h -307.419 #kJ/mol +# Enthalpy of formation: -12175.150kJ/mol 10BLA/BOU1 + -analytic 90.82503E-1 00.00000E+0 16.05761E+3 00.00000E+0 00.00000E+0 + -Vm 351.300 Trevorite -Fe2NiO4 = 2.000Fe+3 + 1.000Ni+2 - 8.000H+ + 4.000H2O - log_k 9.400 - delta_h -214.413 #kJ/mol - # Enthalpy of formation: -1081.173 #kJ/mol - -analytic -2.81635E+1 0E+0 1.11996E+4 0E+0 0E+0 +Fe2NiO4 = +2.000Fe+3 +1.000Ni+2 -8.000H+ +4.000H2O + log_k +9.43 + delta_h -217.410 #kJ/mol +# Enthalpy of formation: -1081.032 kJ/mol + -analytic -28.65860E+0 00.00000E+0 11.35612E+3 00.00000E+0 00.00000E+0 Troilite -FeS = 1.000Fe+2 - 1.000H+ + 1.000HS- - log_k -5.310 #91DAV - delta_h 2.015 #kJ/mol - # Enthalpy of formation: -108.315 #kJ/mol - -analytic -4.95699E+0 0E+0 -1.05251E+2 0E+0 0E+0 +FeS = +1.000Fe+2 -1.000H+ +1.000HS- + log_k -3.99 + delta_h -5.685 #kJ/mol +# Enthalpy of formation: -100.910 kJ/mol 20LEM/PAL + -analytic -49.85969E-1 00.00000E+0 29.69482E+1 00.00000E+0 00.00000E+0 Trona -Na3H(CO3)2:2H2O = 3.000Na+ + 1.000H+ + 2.000CO3-2 + 2.000H2O - log_k -11.380 #84HAR/MOL - delta_h 38.960 #kJ/mol - # Enthalpy of formation: -2682.1 #kJ/mol #82VAN - -analytic -4.55451E+0 0E+0 -2.03502E+3 0E+0 0E+0 +Na3H(CO3)2:2H2O = +3.000Na+ +1.000H+ +2.000CO3-2 +2.000H2O + log_k -11.38 #84HAR/MOL + delta_h +38.960 #kJ/mol +# Enthalpy of formation: -2682.100 kJ/mol 82VAN + -analytic -45.54501E-1 00.00000E+0 -20.35023E+2 00.00000E+0 00.00000E+0 Truscottite -Ca7Si12O29(OH)4:H2O = 7.000Ca+2 - 14.000H+ + 12.000H4(SiO4) - 14.000H2O - log_k 77.080 - delta_h -479.088 #kJ/mol - # Enthalpy of formation: -16854.62 #kJ/mol #10BLA/BOU1 - -analytic -6.85249E+0 0E+0 2.50245E+4 0E+0 0E+0 +Ca7Si12O29(OH)4:H2O = +7.000Ca+2 -14.000H+ +12.000H4(SiO4) -14.000H2O + log_k +77.08 + delta_h -479.088 #kJ/mol +# Enthalpy of formation: -16854.620kJ/mol 10BLA/BOU1 + -analytic -68.52615E-1 00.00000E+0 25.02451E+3 00.00000E+0 00.00000E+0 + -Vm 478.730 + +U(cr) +U = +1.000U+4 +4.000e- + log_k +92.83 + delta_h -591.200 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG + -analytic -10.74379E+0 00.00000E+0 30.88053E+3 00.00000E+0 00.00000E+0 U(HPO4)2:4H2O(s) -U(HPO4)2:4H2O = 1.000U+4 - 2.000H+ + 2.000H2(PO4)- + 4.000H2O - log_k -16.070 #92GRE/FUG - delta_h -4.902 #kJ/mol - # Enthalpy of formation: -4334.819 #kJ/mol - -analytic -1.69288E+1 0E+0 2.56049E+2 0E+0 0E+0 +U(HPO4)2:4H2O = +1.000U+4 -2.000H+ +2.000H2(PO4)- +4.000H2O + log_k -16.07 #92GRE/FUG + delta_h -4.890 #kJ/mol +# Enthalpy of formation: -4334.828 kJ/mol + -analytic -16.92669E+0 00.00000E+0 25.54225E+1 00.00000E+0 00.00000E+0 U(OH)2(SO4)(cr) -U(OH)2(SO4) = 1.000U+4 - 2.000H+ + 1.000SO4-2 + 2.000H2O - log_k -3.170 #92GRE/FUG - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -3.17E+0 0E+0 0E+0 0E+0 0E+0 +U(OH)2(SO4) = +1.000U+4 -2.000H+ +1.000SO4-2 +2.000H2O + log_k -3.17 #92GRE/FUG + -analytic -31.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 U(SO4)2(cr) -U(SO4)2 = 1.000U+4 + 2.000SO4-2 - log_k -11.680 - delta_h -100.280 #kJ/mol - # Enthalpy of formation: -2309.6 #kJ/mol #92GRE/FUG - -analytic -2.92483E+1 0E+0 5.23798E+3 0E+0 0E+0 +U(SO4)2 = +1.000U+4 +2.000SO4-2 + log_k -11.68 + delta_h -100.280 #kJ/mol +# Enthalpy of formation: -2309.600 kJ/mol 92GRE/FUG + -analytic -29.24830E+0 00.00000E+0 52.37989E+2 00.00000E+0 00.00000E+0 U(SO4)2:4H2O(cr) -U(SO4)2:4H2O = 1.000U+4 + 2.000SO4-2 + 4.000H2O - log_k -11.720 - delta_h -70.000 #kJ/mol - # Enthalpy of formation: -3483.2 #kJ/mol #92GRE/FUG - -analytic -2.39835E+1 0E+0 3.65635E+3 0E+0 0E+0 - -U(SO4)2:8H2O(cr) -U(SO4)2:8H2O = 1.000U+4 + 2.000SO4-2 + 8.000H2O - log_k -12.770 - delta_h -33.920 #kJ/mol - # Enthalpy of formation: -4662.6 #kJ/mol #92GRE/FUG - -analytic -1.87125E+1 0E+0 1.77176E+3 0E+0 0E+0 - -U(cr) -U = 1.000U+4 + 2.000H2O - 4.000H+ - 1.000O2 - log_k 178.810 - delta_h -1150.726 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #92GRE/FUG - -analytic -2.27882E+1 0E+0 6.01065E+4 0E+0 0E+0 +U(SO4)2:4H2O = +1.000U+4 +2.000SO4-2 +4.000H2O + log_k -11.71 + delta_h -70.000 #kJ/mol +# Enthalpy of formation: -3483.200 kJ/mol 92GRE/FUG + -analytic -23.97347E+0 00.00000E+0 36.56355E+2 00.00000E+0 00.00000E+0 + +U(SO4)2:8H2O(s) +U(SO4)2:8H2O = +1.000U+4 +2.000SO4-2 +8.000H2O + log_k -12.77 + delta_h -33.920 #kJ/mol +# Enthalpy of formation: -4662.600 kJ/mol 92GRE/FUG + -analytic -18.71253E+0 00.00000E+0 17.71765E+2 00.00000E+0 00.00000E+0 U2O7Ba(cr) -U2O7Ba = 1.000Ba+2 + 2.000UO2+2 - 6.000H+ + 3.000H2O - log_k 21.390 - delta_h -193.090 #kJ/mol - # Enthalpy of formation: -3237.2 #kJ/mol #92GRE/FUG - -analytic -1.24379E+1 0E+0 1.00858E+4 0E+0 0E+0 +U2O7Ba = +1.000Ba+2 +2.000UO2+2 -6.000H+ +3.000H2O + log_k +21.39 + delta_h -193.090 #kJ/mol +# Enthalpy of formation: -3237.200 kJ/mol 92GRE/FUG + -analytic -12.43792E+0 00.00000E+0 10.08579E+3 00.00000E+0 00.00000E+0 U2O7Ba2(cr) -U2O7Ba2 = 2.000Ba+2 + 2.000UO2+ - 6.000H+ + 3.000H2O - log_k 35.350 - delta_h -237.344 #kJ/mol - # Enthalpy of formation: -3740 #kJ/mol #92GRE/FUG - -analytic -6.23082E+0 0E+0 1.23973E+4 0E+0 0E+0 +U2O7Ba2 = +2.000Ba+2 +2.000UO2+ -6.000H+ +3.000H2O + log_k +35.35 + delta_h -237.344 #kJ/mol +# Enthalpy of formation: -3740.000 kJ/mol 92GRE/FUG + -analytic -62.30884E-1 00.00000E+0 12.39734E+3 00.00000E+0 00.00000E+0 U2O7Na2(s) -U2O7Na2 = 2.000Na+ + 2.000UO2+2 - 6.000H+ + 3.000H2O - log_k 22.600 - delta_h -172.370 #kJ/mol - # Enthalpy of formation: -3203.8 #kJ/mol #92GRE/FUG - -analytic -7.59788E+0 0E+0 9.0035E+3 0E+0 0E+0 +U2O7Na2 = +2.000Na+ +2.000UO2+2 -6.000H+ +3.000H2O + log_k +22.60 + delta_h -172.370 #kJ/mol +# Enthalpy of formation: -3203.800 kJ/mol 92GRE/FUG + -analytic -75.97928E-1 00.00000E+0 90.03512E+2 00.00000E+0 00.00000E+0 U3As4(s) -U3As4 = 3.000UO2+2 - 3.000H2O + 6.000H+ + 4.000AsO4-3 - 9.500O2 - log_k 730.640 - delta_h -4916.797 #kJ/mol - # Enthalpy of formation: -720 #kJ/mol #03GUI/FAN - -analytic -1.30745E+2 0E+0 2.56822E+5 0E+0 0E+0 +U3As4 = +3.000UO2+2 +44.000H+ +38.000e- +4.000AsO4-3 -22.000H2O + log_k -86.09 + delta_h +398.700 #kJ/mol +# Enthalpy of formation: -720.000 kJ/mol 03GUI/FAN + -analytic -16.24076E+0 00.00000E+0 -20.82555E+3 00.00000E+0 00.00000E+0 UAs(s) -UAs = 1.000UO2+2 - 0.500H2O + 1.000H+ + 1.000AsO4-3 - 2.750O2 - log_k 225.935 - delta_h -1496.557 #kJ/mol - # Enthalpy of formation: -234.3 #kJ/mol #03GUI/FAN - -analytic -3.62501E+1 0E+0 7.81705E+4 0E+0 0E+0 +UAs = +1.000UO2+2 +12.000H+ +11.000e- +1.000AsO4-3 -6.000H2O + log_k -10.48 + delta_h +42.140 #kJ/mol +# Enthalpy of formation: -234.300 kJ/mol 03GUI/FAN + -analytic -30.97389E-1 00.00000E+0 -22.01125E+2 00.00000E+0 00.00000E+0 UAs2(s) -UAs2 = 1.000UO2+2 - 2.000H2O + 4.000H+ + 2.000AsO4-3 - 4.000O2 - log_k 278.200 - delta_h -1923.084 #kJ/mol - # Enthalpy of formation: -252 #kJ/mol #03GUI/FAN - -analytic -5.87094E+1 0E+0 1.0045E+5 0E+0 0E+0 +UAs2 = +1.000UO2+2 +20.000H+ +16.000e- +2.000AsO4-3 -10.000H2O + log_k -65.68 + delta_h +315.020 #kJ/mol +# Enthalpy of formation: -252.000 kJ/mol 03GUI/FAN + -analytic -10.49087E+0 00.00000E+0 -16.45464E+3 00.00000E+0 00.00000E+0 UO2(CO3)3Mg2:18H2O(s) -UO2(CO3)3Mg2:18H2O = 2.000Mg+2 + 1.000UO2+2 + 3.000CO3-2 + 18.000H2O - log_k -29.010 - delta_h 40.570 #kJ/mol - # Enthalpy of formation: -9164.2 #kJ/mol #99CHE/EWI - -analytic -2.19025E+1 0E+0 -2.11912E+3 0E+0 0E+0 +UO2(CO3)3Mg2:18H2O = +2.000Mg+2 +1.000UO2+2 +3.000CO3-2 +18.000H2O + log_k -29.01 + delta_h +40.570 #kJ/mol +# Enthalpy of formation: -9164.200 kJ/mol 99CHE/EWI + -analytic -21.90244E+0 00.00000E+0 -21.19119E+2 00.00000E+0 00.00000E+0 UO2(CO3)3Na4(cr) -UO2(CO3)3Na4 = 4.000Na+ + 1.000UO2+2 + 3.000CO3-2 - log_k -27.180 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.718E+1 0E+0 0E+0 0E+0 0E+0 +UO2(CO3)3Na4 = +4.000Na+ +1.000UO2+2 +3.000CO3-2 + log_k -27.18 #03GUI/FAN + -analytic -27.18000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 UO2(HPO4):4H2O(cr) -UO2(HPO4):4H2O = 1.000UO2+2 - 1.000H+ + 1.000H2(PO4)- + 4.000H2O - log_k -4.640 #92GRE/FUG - delta_h 5.048 #kJ/mol - # Enthalpy of formation: -3469.968 #kJ/mol - -analytic -3.75563E+0 0E+0 -2.63675E+2 0E+0 0E+0 +UO2(HPO4):4H2O = +1.000UO2+2 -1.000H+ +1.000H2(PO4)- +4.000H2O + log_k -4.64 #92GRE/FUG + delta_h +5.048 #kJ/mol +# Enthalpy of formation: -3469.967 kJ/mol + -analytic -37.55628E-1 00.00000E+0 -26.36754E+1 00.00000E+0 00.00000E+0 UO2(OH)2(beta) -UO2(OH)2 = 1.000UO2+2 - 2.000H+ + 2.000H2O - log_k 4.930 - delta_h -56.860 #kJ/mol - # Enthalpy of formation: -1533.8 #kJ/mol #92GRE/FUG - -analytic -5.03143E+0 0E+0 2.97E+3 0E+0 0E+0 +UO2(OH)2 = +1.000UO2+2 -2.000H+ +2.000H2O + log_k +4.93 + delta_h -56.860 #kJ/mol +# Enthalpy of formation: -1533.800 kJ/mol 92GRE/FUG + -analytic -50.31444E-1 00.00000E+0 29.70005E+2 00.00000E+0 00.00000E+0 UO2(Ox):3H2O(s) -UO2(Ox):3H2O = 1.000UO2+2 + 1.000Ox-2 + 3.000H2O - log_k -8.930 #05HUM/AND - delta_h -5.160 #kJ/mol #05HUM/AND - # Enthalpy of formation: -2701.99 #kJ/mol - -analytic -9.83399E+0 0E+0 2.69525E+2 0E+0 0E+0 +UO2(Ox):3H2O = +1.000UO2+2 +1.000Ox-2 +3.000H2O + log_k -8.93 #05HUM/AND + delta_h -5.160 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2701.990 kJ/mol + -analytic -98.33993E-1 00.00000E+0 26.95256E+1 00.00000E+0 00.00000E+0 UO2(SO3)(cr) -UO2(SO3) = 1.000UO2+2 + 1.000SO3-2 - log_k -15.830 - delta_h 6.450 #kJ/mol - # Enthalpy of formation: -1661 #kJ/mol #92GRE/FUG - -analytic -1.47E+1 0E+0 -3.36906E+2 0E+0 0E+0 +UO2(SO3) = +1.000UO2+2 +1.000SO3-2 + log_k -16.05 + delta_h +10.940 #kJ/mol +# Enthalpy of formation: -1661.000 kJ/mol 92GRE/FUG + -analytic -14.13339E+0 00.00000E+0 -57.14360E+1 00.00000E+0 00.00000E+0 UO2(SO4)(cr) -UO2(SO4) = 1.000UO2+2 + 1.000SO4-2 - log_k 1.890 #92GRE/FUG - delta_h -83.200 #kJ/mol - # Enthalpy of formation: -1845.14 #kJ/mol #92GRE/FUG - -analytic -1.2686E+1 0E+0 4.34583E+3 0E+0 0E+0 +UO2(SO4) = +1.000UO2+2 +1.000SO4-2 + log_k +1.89 + delta_h -83.200 #kJ/mol +# Enthalpy of formation: -1845.140 kJ/mol 92GRE/FUG + -analytic -12.68601E+0 00.00000E+0 43.45839E+2 00.00000E+0 00.00000E+0 UO2(SO4):2.5H2O(cr) -UO2(SO4):2.5H2O = 1.000UO2+2 + 1.000SO4-2 + 2.500H2O - log_k -1.590 - delta_h -35.915 #kJ/mol - # Enthalpy of formation: -2607 #kJ/mol #92GRE/FUG - -analytic -7.88203E+0 0E+0 1.87597E+3 0E+0 0E+0 +UO2(SO4):2.5H2O = +1.000UO2+2 +1.000SO4-2 +2.500H2O + log_k -1.59 + delta_h -35.915 #kJ/mol +# Enthalpy of formation: -2607.000 kJ/mol 92GRE/FUG + -analytic -78.82038E-1 00.00000E+0 18.75971E+2 00.00000E+0 00.00000E+0 UO2(SO4):3.5H2O(cr) -UO2(SO4):3.5H2O = 1.000UO2+2 + 1.000SO4-2 + 3.500H2O - log_k -1.590 - delta_h -27.145 #kJ/mol - # Enthalpy of formation: -2901.6 #kJ/mol #92GRE/FUG - -analytic -6.34559E+0 0E+0 1.41788E+3 0E+0 0E+0 +UO2(SO4):3.5H2O = +1.000UO2+2 +1.000SO4-2 +3.500H2O + log_k -1.59 + delta_h -27.145 #kJ/mol +# Enthalpy of formation: -2901.600 kJ/mol 92GRE/FUG + -analytic -63.45600E-1 00.00000E+0 14.17882E+2 00.00000E+0 00.00000E+0 UO2(SO4):3H2O(cr) -UO2(SO4):3H2O = 1.000UO2+2 + 1.000SO4-2 + 3.000H2O - log_k -1.500 #92GRE/FUG - delta_h -34.330 #kJ/mol - # Enthalpy of formation: -2751.5 #kJ/mol #92GRE/FUG - -analytic -7.51435E+0 0E+0 1.79318E+3 0E+0 0E+0 +UO2(SO4):3H2O = +1.000UO2+2 +1.000SO4-2 +3.000H2O + log_k -1.50 + delta_h -34.330 #kJ/mol +# Enthalpy of formation: -2751.500 kJ/mol 92GRE/FUG + -analytic -75.14358E-1 00.00000E+0 17.93181E+2 00.00000E+0 00.00000E+0 UO2.25(s) -UO2.25 = 1.000U+4 - 4.000H+ + 2.000H2O + 0.125O2 - log_k -11.748 - delta_h -36.377 #kJ/mol - # Enthalpy of formation: -1128 #kJ/mol #92GRE/FUG - -analytic -1.81205E+1 0E+0 1.90011E+3 0E+0 0E+0 +UO2.25 = +1.000U+4 -4.500H+ -0.500e- +2.250H2O + log_k -1.00 + delta_h -106.318 #kJ/mol +# Enthalpy of formation: -1128.000 kJ/mol 92GRE/FUG + -analytic -19.62611E+0 00.00000E+0 55.53376E+2 00.00000E+0 00.00000E+0 UO2.34(beta) -UO2.34 = 1.000U+4 - 4.000H+ + 2.000H2O + 0.170O2 - log_k -13.987 - delta_h -22.008 #kJ/mol - # Enthalpy of formation: -1141 #kJ/mol #03GUI/FAN - -analytic -1.78422E+1 0E+0 1.14953E+3 0E+0 0E+0 +UO2.34 = +1.000U+4 -4.680H+ -0.680e- +2.340H2O + log_k +0.95 + delta_h -119.042 #kJ/mol +# Enthalpy of formation: -1141.000 kJ/mol 03GUI/FAN + -analytic -19.90526E+0 00.00000E+0 62.17997E+2 00.00000E+0 00.00000E+0 UO2.67(s) -UO2.67 = 1.000U+4 - 4.000H+ + 2.000H2O + 0.335O2 - log_k -21.953 - delta_h 25.618 #kJ/mol - # Enthalpy of formation: -1191.6 #kJ/mol #92GRE/FUG - -analytic -1.74652E+1 0E+0 -1.33813E+3 0E+0 0E+0 +UO2.67 = +1.000U+4 -5.340H+ -1.340e- +2.670H2O + log_k +7.00 + delta_h -162.766 #kJ/mol +# Enthalpy of formation: -1191.600 kJ/mol 92GRE/FUG + -analytic -21.51538E+0 00.00000E+0 85.01860E+2 00.00000E+0 00.00000E+0 UO2:2H2O(am) -UO2:2H2O = 1.000U+4 - 4.000H+ + 4.000H2O - log_k 1.500 #03GUI/FAN - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0 +UO2:2H2O = +1.000U+4 -4.000H+ +4.000H2O + log_k +1.50 #20GRE/GAO + -analytic 15.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 UO3(alfa) -UO3 = 1.000UO2+2 - 2.000H+ + 1.000H2O - log_k 9.520 - delta_h -92.420 #kJ/mol - # Enthalpy of formation: -1212.41 #kJ/mol #03GUI/FAN - -analytic -6.67127E+0 0E+0 4.82743E+3 0E+0 0E+0 +UO3 = +1.000UO2+2 -2.000H+ +1.000H2O + log_k +9.52 + delta_h -92.420 #kJ/mol +# Enthalpy of formation: -1212.410 kJ/mol 03GUI/FAN + -analytic -66.71289E-1 00.00000E+0 48.27433E+2 00.00000E+0 00.00000E+0 UO3(beta) -UO3 = 1.000UO2+2 - 2.000H+ + 1.000H2O - log_k 8.300 - delta_h -84.530 #kJ/mol - # Enthalpy of formation: -1220.3 #kJ/mol #92GRE/FUG - -analytic -6.509E+0 0E+0 4.4153E+3 0E+0 0E+0 +UO3 = +1.000UO2+2 -2.000H+ +1.000H2O + log_k +8.30 + delta_h -84.530 #kJ/mol +# Enthalpy of formation: -1220.300 kJ/mol 92GRE/FUG + -analytic -65.09020E-1 00.00000E+0 44.15309E+2 00.00000E+0 00.00000E+0 + +UO3:0.9H2O(s) +UO3:0.9H2O = +1.000UO2+2 -2.000H+ +1.900H2O + log_k +5.00 + delta_h -55.777 #kJ/mol +# Enthalpy of formation: -1506.300 kJ/mol 92GRE/FUG + -analytic -47.71711E-1 00.00000E+0 29.13436E+2 00.00000E+0 00.00000E+0 UO3Na(s) -UO3Na = 1.000Na+ + 1.000UO2+ - 2.000H+ + 1.000H2O - log_k 8.340 - delta_h -56.397 #kJ/mol - # Enthalpy of formation: -1494.9 #kJ/mol #92GRE/FUG - -analytic -1.54032E+0 0E+0 2.94582E+3 0E+0 0E+0 +UO3Na = +1.000Na+ +1.000UO2+ -2.000H+ +1.000H2O + log_k +8.34 + delta_h -56.397 #kJ/mol +# Enthalpy of formation: -1494.900 kJ/mol 92GRE/FUG + -analytic -15.40330E-1 00.00000E+0 29.45820E+2 00.00000E+0 00.00000E+0 UO4Ba(s) -UO4Ba = 1.000Ba+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O - log_k 17.640 - delta_h -131.660 #kJ/mol - # Enthalpy of formation: -1993.8 #kJ/mol #92GRE/FUG - -analytic -5.42581E+0 0E+0 6.87707E+3 0E+0 0E+0 +UO4Ba = +1.000Ba+2 +1.000UO2+2 -4.000H+ +2.000H2O + log_k +17.64 + delta_h -131.660 #kJ/mol +# Enthalpy of formation: -1993.800 kJ/mol 92GRE/FUG + -analytic -54.25842E-1 00.00000E+0 68.77081E+2 00.00000E+0 00.00000E+0 UO4Ca(cr) -UO4Ca = 1.000Ca+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O - log_k 15.930 - delta_h -131.360 #kJ/mol - # Enthalpy of formation: -2002.3 #kJ/mol #92GRE/FUG - -analytic -7.08325E+0 0E+0 6.8614E+3 0E+0 0E+0 +UO4Ca = +1.000Ca+2 +1.000UO2+2 -4.000H+ +2.000H2O + log_k +15.93 + delta_h -131.360 #kJ/mol +# Enthalpy of formation: -2002.300 kJ/mol 92GRE/FUG + -analytic -70.83284E-1 00.00000E+0 68.61411E+2 00.00000E+0 00.00000E+0 UO4Li2(s) -UO4Li2 = 2.000Li+ + 1.000UO2+2 - 4.000H+ + 2.000H2O - log_k 27.940 - delta_h -179.400 #kJ/mol - # Enthalpy of formation: -1968.2 #kJ/mol #92GRE/FUG - -analytic -3.48948E+0 0E+0 9.3707E+3 0E+0 0E+0 +UO4Li2 = +1.000UO2+2 -4.000H+ +2.000H2O +2.000Li+ + log_k +27.94 + delta_h -179.400 #kJ/mol +# Enthalpy of formation: -1968.200 kJ/mol 92GRE/FUG + -analytic -34.89531E-1 00.00000E+0 93.70715E+2 00.00000E+0 00.00000E+0 UO4Mg(cr) -UO4Mg = 1.000Mg+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O - log_k 23.230 - delta_h -200.360 #kJ/mol - # Enthalpy of formation: -1857.3 #kJ/mol #92GRE/FUG - -analytic -1.18715E+1 0E+0 1.04655E+4 0E+0 0E+0 +UO4Mg = +1.000Mg+2 +1.000UO2+2 -4.000H+ +2.000H2O + log_k +23.23 + delta_h -200.360 #kJ/mol +# Enthalpy of formation: -1857.300 kJ/mol 92GRE/FUG + -analytic -11.87157E+0 00.00000E+0 10.46553E+3 00.00000E+0 00.00000E+0 UO4Na2(alfa) -UO4Na2 = 2.000Na+ + 1.000UO2+2 - 4.000H+ + 2.000H2O - log_k 30.030 - delta_h -173.640 #kJ/mol - # Enthalpy of formation: -1897.7 #kJ/mol #92GRE/FUG - -analytic -3.90378E-1 0E+0 9.06984E+3 0E+0 0E+0 +UO4Na2 = +2.000Na+ +1.000UO2+2 -4.000H+ +2.000H2O + log_k +30.03 + delta_h -173.640 #kJ/mol +# Enthalpy of formation: -1897.700 kJ/mol 92GRE/FUG + -analytic -39.04222E-2 00.00000E+0 90.69849E+2 00.00000E+0 00.00000E+0 UO4Na3(cr) -UO4Na3 = 3.000Na+ + 1.000UO2+ - 4.000H+ + 2.000H2O - log_k 56.280 - delta_h -293.807 #kJ/mol - # Enthalpy of formation: -2024 #kJ/mol #92GRE/FUG - -analytic 4.8073E+0 0E+0 1.53466E+4 0E+0 0E+0 +UO4Na3 = +3.000Na+ +1.000UO2+ -4.000H+ +2.000H2O + log_k +56.28 + delta_h -293.807 #kJ/mol +# Enthalpy of formation: -2024.000 kJ/mol 92GRE/FUG + -analytic 48.07223E-1 00.00000E+0 15.34661E+3 00.00000E+0 00.00000E+0 UO4Sr(alfa) -UO4Sr = 1.000Sr+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O - log_k 19.160 - delta_h -151.960 #kJ/mol - # Enthalpy of formation: -1989.6 #kJ/mol #92GRE/FUG - -analytic -7.46221E+0 0E+0 7.93741E+3 0E+0 0E+0 +UO4Sr = +1.000Sr+2 +1.000UO2+2 -4.000H+ +2.000H2O + log_k +19.16 + delta_h -151.960 #kJ/mol +# Enthalpy of formation: -1989.600 kJ/mol 92GRE/FUG + -analytic -74.62249E-1 00.00000E+0 79.37424E+2 00.00000E+0 00.00000E+0 UO6Ba3(cr) -UO6Ba3 = 3.000Ba+2 + 1.000UO2+2 - 8.000H+ + 4.000H2O - log_k 92.700 - delta_h -556.320 #kJ/mol - # Enthalpy of formation: -3210.4 #kJ/mol #92GRE/FUG - -analytic -4.76294E+0 0E+0 2.90586E+4 0E+0 0E+0 - -US2(cr) -US2 = 1.000U+4 - 2.000H+ + 2.000HS- - log_k -2.430 - delta_h -103.400 #kJ/mol - # Enthalpy of formation: -520.4 #kJ/mol #92GRE/FUG - -analytic -2.05449E+1 0E+0 5.40095E+3 0E+0 0E+0 - -USe2(beta) -USe2 = 1.000U+4 - 2.000H+ + 2.000HSe- - log_k 2.820 - delta_h -135.600 #kJ/mol - # Enthalpy of formation: -427 #kJ/mol #92GRE/FUG - -analytic -2.09361E+1 0E+0 7.08287E+3 0E+0 0E+0 +UO6Ba3 = +3.000Ba+2 +1.000UO2+2 -8.000H+ +4.000H2O + log_k +92.70 + delta_h -556.320 #kJ/mol +# Enthalpy of formation: -3210.400 kJ/mol 92GRE/FUG + -analytic -47.63080E-1 00.00000E+0 29.05862E+3 00.00000E+0 00.00000E+0 Uraninite -UO2 = 1.000U+4 - 4.000H+ + 2.000H2O - log_k -4.850 - delta_h -77.860 #kJ/mol - # Enthalpy of formation: -1085 #kJ/mol #92GRE/FUG - -analytic -1.84905E+1 0E+0 4.06691E+3 0E+0 0E+0 +UO2 = +1.000U+4 -4.000H+ +2.000H2O + log_k -4.85 + delta_h -77.860 #kJ/mol +# Enthalpy of formation: -1085.000 kJ/mol 92GRE/FUG + -analytic -18.49049E+0 00.00000E+0 40.66911E+2 00.00000E+0 00.00000E+0 Uranophane -Ca(UO2)2(SiO3OH)2:5H2O = 1.000Ca+2 + 2.000UO2+2 - 6.000H+ + 2.000H4(SiO4) + 5.000H2O - log_k 9.420 #92NGU/SIL - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic 9.42E+0 0E+0 0E+0 0E+0 0E+0 +Ca(UO2)2(SiO3OH)2:5H2O = +1.000Ca+2 +2.000UO2+2 -6.000H+ +2.000H4(SiO4) +5.000H2O + log_k +11.52 #20GRE/GAO + -analytic 11.52000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +US2(cr) +US2 = +1.000U+4 -2.000H+ +2.000HS- + log_k -2.43 + delta_h -103.400 #kJ/mol +# Enthalpy of formation: -520.400 kJ/mol 92GRE/FUG + -analytic -20.54490E+0 00.00000E+0 54.00958E+2 00.00000E+0 00.00000E+0 + +USe2(beta) +USe2 = +1.000U+4 -2.000H+ +2.000HSe- + log_k +2.82 + delta_h -135.600 #kJ/mol +# Enthalpy of formation: -427.000 kJ/mol 92GRE/FUG + -analytic -20.93610E+0 00.00000E+0 70.82881E+2 00.00000E+0 00.00000E+0 Vaesite -NiS2 = 1.000Ni+2 + 2.000HS- - 1.000H2O + 0.500O2 - log_k -60.960 - delta_h 320.151 #kJ/mol - # Enthalpy of formation: -128 #kJ/mol #05GAM/BUG - -analytic -4.87203E+0 0E+0 -1.67226E+4 0E+0 0E+0 +NiS2 = +1.000Ni+2 -2.000H+ -2.000e- +2.000HS- + log_k -17.97 + delta_h +40.388 #kJ/mol +# Enthalpy of formation: -128.000 kJ/mol 05GAM/BUG + -analytic -10.89433E+0 00.00000E+0 -21.09612E+2 00.00000E+0 00.00000E+0 Valentinite -Sb2O3 = 2.000Sb(OH)3 - 3.000H2O - log_k -8.480 #52GAY/GAR in 76BAE/MES - delta_h 18.500 #kJ/mol - # Enthalpy of formation: -708.77 #kJ/mol #62MAH in 03ZOT/SHI - -analytic -5.23894E+0 0E+0 -9.66321E+2 0E+0 0E+0 +Sb2O3 = +2.000Sb(OH)3 -3.000H2O + log_k -8.48 + delta_h +18.474 #kJ/mol +# Enthalpy of formation: -708.770 kJ/mol 62MAH in 03ZOT/SHI + -analytic -52.43494E-1 00.00000E+0 -96.49642E+1 00.00000E+0 00.00000E+0 Vaterite -CaCO3 = 1.000Ca+2 + 1.000CO3-2 - log_k -7.900 - delta_h -14.930 #kJ/mol - # Enthalpy of formation: -1203.3 #kJ/mol #87GAR/PAR - -analytic -1.05156E+1 0E+0 7.79847E+2 0E+0 0E+0 +CaCO3 = +1.000Ca+2 +1.000CO3-2 + log_k -7.90 + delta_h -14.930 #kJ/mol +# Enthalpy of formation: -1203.300 kJ/mol 87GAR/PAR + -analytic -10.51562E+0 00.00000E+0 77.98482E+1 00.00000E+0 00.00000E+0 + +Vermiculite_SO +(Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2 = +0.445Ca+2 +2.475Mg+2 +0.226Fe+3 +0.028Fe+2 +1.438Al+3 -10.888H+ +2.778H4(SiO4) +0.888H2O + log_k +45.88 + delta_h -464.124 #kJ/mol +# Enthalpy of formation: -6034.410 kJ/mol 13GAI/BLA + -analytic -35.43103E+0 00.00000E+0 24.24288E+3 00.00000E+0 00.00000E+0 + -Vm 148.360 Vermiculite-Ca -Ca0.43Mg3Si3.14Al0.86O10(OH)2 = 0.430Ca+2 + 3.000Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O - log_k 39.550 - delta_h -377.538 #kJ/mol - # Enthalpy of formation: -6148.06 #kJ/mol #15BLA/VIE - -analytic -2.65917E+1 0E+0 1.97202E+4 0E+0 0E+0 +Ca0.43Mg3Si3.14Al0.86O10(OH)2 = +0.430Ca+2 +3.000Mg+2 +0.860Al+3 -9.440H+ +3.140H4(SiO4) -0.560H2O + log_k +39.55 + delta_h -377.538 #kJ/mol +# Enthalpy of formation: -6148.060 kJ/mol 15BLA/VIE + -analytic -26.59182E+0 00.00000E+0 19.72018E+3 00.00000E+0 00.00000E+0 + -Vm 149.800 Vermiculite-K -K0.86Mg3.00Si3.14Al0.86O10(OH)2 = 3.000Mg+2 + 0.860K+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O - log_k 37.440 - delta_h -335.539 #kJ/mol - # Enthalpy of formation: -6173.41 #kJ/mol #15BLA/VIE - -analytic -2.13438E+1 0E+0 1.75264E+4 0E+0 0E+0 +K0.86Mg3.00Si3.14Al0.86O10(OH)2 = +3.000Mg+2 +0.860K+ +0.860Al+3 -9.440H+ +3.140H4(SiO4) -0.560H2O + log_k +37.44 + delta_h -335.539 #kJ/mol +# Enthalpy of formation: -6173.410 kJ/mol 15BLA/VIE + -analytic -21.34391E+0 00.00000E+0 17.52642E+3 00.00000E+0 00.00000E+0 + -Vm 147.560 Vermiculite-Mg -Mg0.43Mg3Si3.14Al0.86O10(OH)2 = 3.430Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O - log_k 38.040 - delta_h -379.808 #kJ/mol - # Enthalpy of formation: -6113.11 #kJ/mol #15BLA/VIE - -analytic -2.84994E+1 0E+0 1.98387E+4 0E+0 0E+0 +Mg0.43Mg3Si3.14Al0.86O10(OH)2 = +3.430Mg+2 +0.860Al+3 -9.440H+ +3.140H4(SiO4) -0.560H2O + log_k +38.04 + delta_h -379.808 #kJ/mol +# Enthalpy of formation: -6113.110 kJ/mol 15BLA/VIE + -analytic -28.49951E+0 00.00000E+0 19.83875E+3 00.00000E+0 00.00000E+0 + -Vm 139.690 Vermiculite-Na -Na0.86Mg3.00Si3.14Al0.86O10(OH)2 = 3.000Mg+2 + 0.860Na+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O - log_k 38.390 - delta_h -355.541 #kJ/mol - # Enthalpy of formation: -6143.26 #kJ/mol #15BLA/VIE - -analytic -2.3898E+1 0E+0 1.85712E+4 0E+0 0E+0 - -Vermiculite_SO -(Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2 = 0.445Ca+2 + 2.475Mg+2 + 0.226Fe+3 + 1.438Al+3 + 2.778H4(SiO4) + 0.028Fe+2 + 0.888H2O - 10.888H+ - log_k 45.910 - delta_h -463.877 #kJ/mol - # Enthalpy of formation: -6034.41 #kJ/mol #13GAI/BLA - -analytic -3.53576E+1 0E+0 2.42299E+4 0E+0 0E+0 +Na0.86Mg3.00Si3.14Al0.86O10(OH)2 = +3.000Mg+2 +0.860Na+ +0.860Al+3 -9.440H+ +3.140H4(SiO4) -0.560H2O + log_k +38.39 + delta_h -355.541 #kJ/mol +# Enthalpy of formation: -6143.260 kJ/mol 15BLA/VIE + -analytic -23.89811E+0 00.00000E+0 18.57120E+3 00.00000E+0 00.00000E+0 + -Vm 145.710 Vivianite -Fe3(PO4)2:8H2O = 3.000Fe+2 - 4.000H+ + 2.000H2(PO4)- + 8.000H2O - log_k 3.120 - delta_h -9.561 #kJ/mol - # Enthalpy of formation: -5152.279 #kJ/mol - -analytic 1.44499E+0 0E+0 4.99405E+2 0E+0 0E+0 +Fe3(PO4)2:8H2O = +3.000Fe+2 -4.000H+ +2.000H2(PO4)- +8.000H2O + log_k +3.12 #20LEM/PAL + -analytic 31.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Wairakite -CaAl2Si4O12:2H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4) - 2.000H2O - log_k 14.440 - delta_h -246.216 #kJ/mol - # Enthalpy of formation: -6646.7 #kJ/mol #96KIS/NAV - -analytic -2.86951E+1 0E+0 1.28607E+4 0E+0 0E+0 +CaAl2Si4O12:2H2O = +1.000Ca+2 +2.000Al+3 -8.000H+ +4.000H4(SiO4) -2.000H2O + log_k +14.42 + delta_h -246.216 #kJ/mol +# Enthalpy of formation: -6646.700 kJ/mol 96KIS/NAV + -analytic -28.71519E+0 00.00000E+0 12.86076E+3 00.00000E+0 00.00000E+0 + -Vm 193.560 Witherite -Ba(CO3) = 1.000Ba+2 + 1.000CO3-2 - log_k -8.560 #86BUS/PLU - delta_h 2.941 #kJ/mol #86BUS/PLU - # Enthalpy of formation: -1212.971 #kJ/mol - -analytic -8.04476E+0 0E+0 -1.53619E+2 0E+0 0E+0 +Ba(CO3) = +1.000Ba+2 +1.000CO3-2 + log_k -8.56 #86BUS/PLU + delta_h +2.941 #kJ/mol 86BUS/PLU +# Enthalpy of formation: -1212.971 kJ/mol + -analytic -80.44759E-1 00.00000E+0 -15.36191E+1 00.00000E+0 00.00000E+0 Xonotlite -Ca6Si6O17(OH)2 = 6.000Ca+2 - 12.000H+ + 6.000H4(SiO4) - 5.000H2O - log_k 91.340 #10BLA/BOU1 - delta_h -573.864 #kJ/mol - # Enthalpy of formation: -10022.15 #kJ/mol #56NEW - -analytic -9.19651E+0 0E+0 2.9975E+4 0E+0 0E+0 +Ca6Si6O17(OH)2 = +6.000Ca+2 -12.000H+ +6.000H4(SiO4) -5.000H2O + log_k +91.34 #10BLA/BOU1 + delta_h -573.864 #kJ/mol +# Enthalpy of formation: -10022.150kJ/mol 56NEW + -analytic -91.96657E-1 00.00000E+0 29.97500E+3 00.00000E+0 00.00000E+0 + -Vm 256.900 Zeolite_CaP -Ca2Al4Si4O16:9H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 4.000H4(SiO4) + 9.000H2O - log_k 45.150 #09BLA - delta_h -527.736 #kJ/mol - # Enthalpy of formation: -11129.11 #kJ/mol #09BLA - -analytic -4.73052E+1 0E+0 2.75655E+4 0E+0 0E+0 +Ca2Al4Si4O16:9H2O = +2.000Ca+2 +4.000Al+3 -16.000H+ +4.000H4(SiO4) +9.000H2O + log_k +45.15 #09BLA + delta_h -527.736 #kJ/mol +# Enthalpy of formation: -11129.110kJ/mol 09BLA + -analytic -47.30538E+0 00.00000E+0 27.56557E+3 00.00000E+0 00.00000E+0 + -Vm 305.700 + +Zn(cr) +Zn = +1.000Zn+2 +2.000e- + log_k +25.79 + delta_h -153.390 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -10.82774E-1 00.00000E+0 80.12118E+2 00.00000E+0 00.00000E+0 Zn(SeO4):6H2O(s) -Zn(SeO4):6H2O = 1.000Zn+2 + 1.000SeO4-2 + 6.000H2O - log_k -1.538 #05OLI/NOL - delta_h -13.330 #kJ/mol - # Enthalpy of formation: -2458.54 #kJ/mol #05OLI/NOL - -analytic -3.87331E+0 0E+0 6.96273E+2 0E+0 0E+0 +Zn(SeO4):6H2O = +1.000Zn+2 +1.000SeO4-2 +6.000H2O + log_k -1.54 #05OLI/NOL + delta_h -13.330 #kJ/mol +# Enthalpy of formation: -2458.540 kJ/mol 05OLI/NOL + -analytic -38.75316E-1 00.00000E+0 69.62744E+1 00.00000E+0 00.00000E+0 Zn3(AsO4)2(s) -Zn3(AsO4)2 = 3.000Zn+2 + 2.000AsO4-3 - log_k -27.450 - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -2.745E+1 0E+0 0E+0 0E+0 0E+0 +Zn3(AsO4)2 = +3.000Zn+2 +2.000AsO4-3 + log_k -27.45 + -analytic -27.45000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 ZnB2O4(s) -ZnB2O4 = 1.000Zn+2 + 2.000B(OH)4- - 4.000H2O - log_k -10.190 #91BAL/NOR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -1.019E+1 0E+0 0E+0 0E+0 0E+0 +ZnB2O4 = +1.000Zn+2 +2.000B(OH)4- -4.000H2O + log_k -10.19 #91BAL/NOR + -analytic -10.19000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +Zr(cr) +Zr = +4.000e- +1.000Zr+4 + log_k +92.59 + delta_h -608.500 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 05BRO/CUR + -analytic -14.01462E+0 00.00000E+0 31.78417E+3 00.00000E+0 00.00000E+0 Zr(HPO4)2(alfa) -Zr(HPO4)2 = - 2.000H+ + 2.000H2(PO4)- + 1.000Zr+4 - log_k -32.270 - delta_h -47.500 #kJ/mol - # Enthalpy of formation: -3166.2 #kJ/mol #05BRO/CUR - -analytic -4.05916E+1 0E+0 2.48109E+3 0E+0 0E+0 +Zr(HPO4)2 = -2.000H+ +2.000H2(PO4)- +1.000Zr+4 + log_k -32.27 + delta_h -47.500 #kJ/mol +# Enthalpy of formation: -3166.200 kJ/mol 05BRO/CUR + -analytic -40.59164E+0 00.00000E+0 24.81098E+2 00.00000E+0 00.00000E+0 Zr(HPO4)2:H2O(cr) -Zr(HPO4)2:H2O = - 2.000H+ + 2.000H2(PO4)- + 1.000Zr+4 + 1.000H2O - log_k -27.080 #05BRO/CUR - delta_h -33.430 #kJ/mol - # Enthalpy of formation: -3466.1 #kJ/mol #05BRO/CUR - -analytic -3.29367E+1 0E+0 1.74617E+3 0E+0 0E+0 +Zr(HPO4)2:H2O = -2.000H+ +2.000H2(PO4)- +1.000Zr+4 +1.000H2O + log_k -27.08 #05BRO/CUR + delta_h -33.430 #kJ/mol +# Enthalpy of formation: -3466.100 kJ/mol 05BRO/CUR + -analytic -32.93668E+0 00.00000E+0 17.46171E+2 00.00000E+0 00.00000E+0 Zr(OH)4(am,aged) -Zr(OH)4 = - 4.000H+ + 1.000Zr+4 + 4.000H2O - log_k -5.550 #Recalculated from 04EKB/KAL in 05BRO/CUR - # delta_h 0.000 #kJ/mol - # Enthalpy of formation: #kJ/mol - -analytic -5.55E+0 0E+0 0E+0 0E+0 0E+0 +Zr(OH)4 = -4.000H+ +1.000Zr+4 +4.000H2O + log_k -5.55 #Recalculated from 04EKB/KAL in 05BRO/CUR + -analytic -55.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 Zr(OH)4(am,fresh) -Zr(OH)4 = - 4.000H+ + 1.000Zr+4 + 4.000H2O - log_k -3.240 #05BRO/CUR - delta_h -89.620 #kJ/mol - # Enthalpy of formation: -1662.2 #kJ/mol #05BRO/CUR - -analytic -1.89407E+1 0E+0 4.68117E+3 0E+0 0E+0 +Zr(OH)4 = -4.000H+ +1.000Zr+4 +4.000H2O + log_k -3.24 #05BRO/CUR + delta_h -89.620 #kJ/mol +# Enthalpy of formation: -1662.200 kJ/mol 05BRO/CUR + -analytic -18.94075E+0 00.00000E+0 46.81179E+2 00.00000E+0 00.00000E+0 Zr(SO4)2(cr) -Zr(SO4)2 = 2.000SO4-2 + 1.000Zr+4 - log_k 1.240 - delta_h -181.980 #kJ/mol - # Enthalpy of formation: -2245.2 #kJ/mol #05BRO/CUR - -analytic -3.06415E+1 0E+0 9.50546E+3 0E+0 0E+0 +Zr(SO4)2 = +2.000SO4-2 +1.000Zr+4 + log_k +1.24 + delta_h -181.980 #kJ/mol +# Enthalpy of formation: -2245.200 kJ/mol 05BRO/CUR + -analytic -30.64153E+0 00.00000E+0 95.05477E+2 00.00000E+0 00.00000E+0 Zr(SO4)2:4H2O(s) -Zr(SO4)2:4H2O = 2.000SO4-2 + 1.000Zr+4 + 4.000H2O - log_k -7.650 - delta_h -99.600 #kJ/mol - # Enthalpy of formation: -3470.9 #kJ/mol #05BRO/CUR - -analytic -2.50991E+1 0E+0 5.20246E+3 0E+0 0E+0 - -Zr(cr) -Zr = 1.000Zr+4 + 2.000H2O - 4.000H+ - 1.000O2 - log_k 178.570 - delta_h -1168.026 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #05BRO/CUR - -analytic -2.60591E+1 0E+0 6.10102E+4 0E+0 0E+0 +Zr(SO4)2:4H2O = +2.000SO4-2 +1.000Zr+4 +4.000H2O + log_k -7.65 + delta_h -99.600 #kJ/mol +# Enthalpy of formation: -3470.900 kJ/mol 05BRO/CUR + -analytic -25.09917E+0 00.00000E+0 52.02470E+2 00.00000E+0 00.00000E+0 ZrBr4(cr) -ZrBr4 = 4.000Br- + 1.000Zr+4 - log_k 38.520 - delta_h -334.640 #kJ/mol - # Enthalpy of formation: -759.5 #kJ/mol #05BRO/CUR - -analytic -2.01063E+1 0E+0 1.74794E+4 0E+0 0E+0 +ZrBr4 = +4.000Br- +1.000Zr+4 + log_k +38.52 + delta_h -334.640 #kJ/mol +# Enthalpy of formation: -759.500 kJ/mol 05BRO/CUR + -analytic -20.10641E+0 00.00000E+0 17.47946E+3 00.00000E+0 00.00000E+0 ZrCl(s) -ZrCl = 1.000Cl- + 1.000Zr+4 + 1.500H2O - 3.000H+ - 0.750O2 - log_k 133.725 - delta_h -904.025 #kJ/mol - # Enthalpy of formation: -291.2 #kJ/mol #05BRO/CUR - -analytic -2.46531E+1 0E+0 4.72204E+4 0E+0 0E+0 +ZrCl = +3.000e- +1.000Cl- +1.000Zr+4 + log_k +69.24 + delta_h -484.380 #kJ/mol +# Enthalpy of formation: -291.200 kJ/mol 05BRO/CUR + -analytic -15.61973E+0 00.00000E+0 25.30093E+3 00.00000E+0 00.00000E+0 ZrCl2(s) -ZrCl2 = 2.000Cl- + 1.000Zr+4 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 94.640 - delta_h -679.623 #kJ/mol - # Enthalpy of formation: -542.8 #kJ/mol #05BRO/CUR - -analytic -2.44247E+1 0E+0 3.54991E+4 0E+0 0E+0 +ZrCl2 = +2.000e- +2.000Cl- +1.000Zr+4 + log_k +51.65 + delta_h -399.860 #kJ/mol +# Enthalpy of formation: -542.800 kJ/mol 05BRO/CUR + -analytic -18.40246E+0 00.00000E+0 20.88614E+3 00.00000E+0 00.00000E+0 ZrCl3(s) -ZrCl3 = 3.000Cl- + 1.000Zr+4 + 0.500H2O - 1.000H+ - 0.250O2 - log_k 62.215 - delta_h -489.522 #kJ/mol - # Enthalpy of formation: -760.1 #kJ/mol #05BRO/CUR - -analytic -2.35454E+1 0E+0 2.55695E+4 0E+0 0E+0 +ZrCl3 = +1.000e- +3.000Cl- +1.000Zr+4 + log_k +40.72 + delta_h -349.640 #kJ/mol +# Enthalpy of formation: -760.100 kJ/mol 05BRO/CUR + -analytic -20.53430E+0 00.00000E+0 18.26297E+3 00.00000E+0 00.00000E+0 ZrCl4(s) -ZrCl4 = 4.000Cl- + 1.000Zr+4 - log_k 28.600 - delta_h -296.020 #kJ/mol - # Enthalpy of formation: -980.8 #kJ/mol #05BRO/CUR - -analytic -2.32604E+1 0E+0 1.54622E+4 0E+0 0E+0 +ZrCl4 = +4.000Cl- +1.000Zr+4 + log_k +28.60 + delta_h -296.020 #kJ/mol +# Enthalpy of formation: -980.800 kJ/mol 05BRO/CUR + -analytic -23.26048E+0 00.00000E+0 15.46220E+3 00.00000E+0 00.00000E+0 ZrF2(s) -ZrF2 = 2.000F- + 1.000Zr+4 + 1.000H2O - 2.000H+ - 0.500O2 - log_k 75.600 - delta_h -602.963 #kJ/mol - # Enthalpy of formation: -956 #kJ/mol #97VIS/COR - -analytic -3.00344E+1 0E+0 3.14949E+4 0E+0 0E+0 +ZrF2 = +2.000e- +2.000F- +1.000Zr+4 + log_k +32.61 + delta_h -323.200 #kJ/mol +# Enthalpy of formation: -956.000 kJ/mol 97VIS/COR + -analytic -24.01221E+0 00.00000E+0 16.88191E+3 00.00000E+0 00.00000E+0 ZrF3(s) -ZrF3 = 3.000F- + 1.000Zr+4 + 0.500H2O - 1.000H+ - 0.250O2 - log_k 24.295 - delta_h -321.432 #kJ/mol - # Enthalpy of formation: -1433 #kJ/mol #97VIS/COR - -analytic -3.20173E+1 0E+0 1.67895E+4 0E+0 0E+0 +ZrF3 = +1.000e- +3.000F- +1.000Zr+4 + log_k +2.80 + delta_h -181.550 #kJ/mol +# Enthalpy of formation: -1433.000 kJ/mol 97VIS/COR + -analytic -29.00619E+0 00.00000E+0 94.83017E+2 00.00000E+0 00.00000E+0 ZrF4(beta) -ZrF4 = 4.000F- + 1.000Zr+4 - log_k -27.250 - delta_h -38.600 #kJ/mol - # Enthalpy of formation: -1911.3 #kJ/mol #05BRO/CUR - -analytic -3.40124E+1 0E+0 2.01622E+3 0E+0 0E+0 +ZrF4 = +4.000F- +1.000Zr+4 + log_k -27.25 + delta_h -38.600 #kJ/mol +# Enthalpy of formation: -1911.300 kJ/mol 05BRO/CUR + -analytic -34.01243E+0 00.00000E+0 20.16218E+2 00.00000E+0 00.00000E+0 ZrI4(cr) -ZrI4 = 4.000I- + 1.000Zr+4 - log_k 44.590 - delta_h -346.720 #kJ/mol - # Enthalpy of formation: -488.9 #kJ/mol #05BRO/CUR - -analytic -1.61526E+1 0E+0 1.81104E+4 0E+0 0E+0 +ZrI4 = +4.000I- +1.000Zr+4 + log_k +44.59 + delta_h -346.720 #kJ/mol +# Enthalpy of formation: -488.900 kJ/mol 05BRO/CUR + -analytic -16.15274E+0 00.00000E+0 18.11045E+3 00.00000E+0 00.00000E+0 ZrO2(cr) -ZrO2 = - 4.000H+ + 1.000Zr+4 + 2.000H2O - log_k -7.000 - delta_h -79.560 #kJ/mol - # Enthalpy of formation: -1100.6 #kJ/mol #05BRO/CUR - -analytic -2.09383E+1 0E+0 4.1557E+3 0E+0 0E+0 +ZrO2 = -4.000H+ +1.000Zr+4 +2.000H2O + log_k -7.00 + delta_h -79.560 #kJ/mol +# Enthalpy of formation: -1100.600 kJ/mol 05BRO/CUR + -analytic -20.93831E+0 00.00000E+0 41.55708E+2 00.00000E+0 00.00000E+0 ZrSiO4(s) -ZrSiO4 = - 4.000H+ + 1.000H4(SiO4) + 1.000Zr+4 - log_k -14.360 - delta_h -35.494 #kJ/mol - # Enthalpy of formation: -2034.2 #kJ/mol #05BRO/CUR - -analytic -2.05783E+1 0E+0 1.85398E+3 0E+0 0E+0 - -illite-FeIII -K0.85Fe0.25Al2.6Si3.15O10(OH)2 = 0.850K+ + 0.250Fe+3 + 2.600Al+3 - 9.400H+ + 3.150H4(SiO4) - 0.600H2O - log_k 12.370 - delta_h -262.282 #kJ/mol - # Enthalpy of formation: -5795.39 #kJ/mol #15BLA/VIE - -analytic -3.35798E+1 0E+0 1.36999E+4 0E+0 0E+0 - - +ZrSiO4 = -4.000H+ +1.000H4(SiO4) +1.000Zr+4 + log_k -14.36 + delta_h -35.494 #kJ/mol +# Enthalpy of formation: -2034.200 kJ/mol 05BRO/CUR + -analytic -20.57828E+0 00.00000E+0 18.53981E+2 00.00000E+0 00.00000E+0 # PMATCH GASES CH4(g) -CH4 = 2.000H+ + 1.000CO3-2 + 1.000H2O - 2.000O2 - log_k 130.910 - delta_h -861.919 #kJ/mol - # Enthalpy of formation: -74.873 #kJ/mol #98CHA - -analytic -2.00915E+1 0E+0 4.50211E+4 0E+0 0E+0 +CH4 = +10.000H+ +8.000e- +1.000CO3-2 -3.000H2O + log_k -41.05 + delta_h +257.133 #kJ/mol +# Enthalpy of formation: -74.873 kJ/mol 98CHA + -analytic 39.97768E-1 00.00000E+0 -13.43099E+3 00.00000E+0 00.00000E+0 + +Cl2(g) +Cl2 = -2.000e- +2.000Cl- + log_k +45.98 + delta_h -334.160 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -12.56232E+0 00.00000E+0 17.45439E+3 00.00000E+0 00.00000E+0 CO(g) -CO = 2.000H+ + 1.000CO3-2 - 1.000H2O - 0.500O2 - log_k 28.350 - delta_h -272.803 #kJ/mol - # Enthalpy of formation: -110.53 #kJ/mol #89COX/WAG - -analytic -1.9443E+1 0E+0 1.42495E+4 0E+0 0E+0 +CO = +4.000H+ +2.000e- +1.000CO3-2 -2.000H2O + log_k -14.64 + delta_h +6.960 #kJ/mol +# Enthalpy of formation: -110.530 kJ/mol 89COX/WAG + -analytic -13.42066E+0 00.00000E+0 -36.35461E+1 00.00000E+0 00.00000E+0 CO2(g) -CO2 = 2.000H+ + 1.000CO3-2 - 1.000H2O - log_k -18.150 - delta_h 4.110 #kJ/mol - # Enthalpy of formation: -393.51 #kJ/mol #89COX/WAG - -analytic -1.743E+1 0E+0 -2.1468E+2 0E+0 0E+0 - -Cl2(g) -Cl2 = 2.000Cl- - 1.000H2O + 2.000H+ + 0.500O2 - log_k 2.990 - delta_h -54.397 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -6.53993E+0 0E+0 2.84135E+3 0E+0 0E+0 +CO2 = +2.000H+ +1.000CO3-2 -1.000H2O + log_k -18.15 + delta_h +4.110 #kJ/mol +# Enthalpy of formation: -393.510 kJ/mol 89COX/WAG + -analytic -17.42996E+0 00.00000E+0 -21.46803E+1 00.00000E+0 00.00000E+0 + +F2(g) +F2 = -2.000e- +2.000F- + log_k +98.64 + delta_h -670.700 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -18.86160E+0 00.00000E+0 35.03310E+3 00.00000E+0 00.00000E+0 H2(g) -H2 = 1.000H2O - 0.500O2 - log_k 42.990 - delta_h -279.763 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol #89COX/WAG - -analytic -6.0223E+0 0E+0 1.4613E+4 0E+0 0E+0 +H2 = +2.000H+ +2.000e- + log_k +0.00 + delta_h +0.000 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 H2O(g) -H2O = 1.000H2O - log_k 1.500 - delta_h -44.004 #kJ/mol - # Enthalpy of formation: -241.826 #kJ/mol #89COX/WAG - -analytic -6.20916E+0 0E+0 2.29849E+3 0E+0 0E+0 +H2O = +2.000H+ +2.000e- +0.500O2 + log_k -41.50 + delta_h +235.759 #kJ/mol +# Enthalpy of formation: -241.826 kJ/mol 89COX/WAG + -analytic -19.67962E-2 00.00000E+0 -12.31455E+3 00.00000E+0 00.00000E+0 H2S(g) -H2S = 1.000H+ + 1.000HS- - log_k -8.000 - delta_h 4.300 #kJ/mol - # Enthalpy of formation: -20.6 #kJ/mol #89COX/WAG - -analytic -7.24667E+0 0E+0 -2.24604E+2 0E+0 0E+0 +H2S = +1.000H+ +1.000HS- + log_k -8.00 + delta_h +4.300 #kJ/mol +# Enthalpy of formation: -20.600 kJ/mol 89COX/WAG + -analytic -72.46672E-1 00.00000E+0 -22.46046E+1 00.00000E+0 00.00000E+0 HCl(g) -HCl = 1.000H+ + 1.000Cl- - log_k 6.290 - delta_h -74.770 #kJ/mol - # Enthalpy of formation: -92.31 #kJ/mol #89COX/WAG - -analytic -6.80912E+0 0E+0 3.9055E+3 0E+0 0E+0 +HCl = +1.000H+ +1.000Cl- + log_k +6.29 + delta_h -74.770 #kJ/mol +# Enthalpy of formation: -92.310 kJ/mol 89COX/WAG + -analytic -68.09142E-1 00.00000E+0 39.05509E+2 00.00000E+0 00.00000E+0 + +Hg(CH3)2(g) +Hg(CH3)2 = -2.000H+ +2.000CH4 +1.000Hg+2 + log_k -8.82 #18BLA/BUR + -analytic -88.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + +N2(g) +N2 = +12.000H+ +10.000e- +2.000NO3- -6.000H2O + log_k -210.45 + delta_h +1301.280 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic 17.52447E+0 00.00000E+0 -67.97059E+3 00.00000E+0 00.00000E+0 O2(g) -O2 = 1.000O2 - log_k -2.900 - delta_h -12.134 #kJ/mol - # Enthalpy of formation: 0 #kJ/mol - -analytic -5.02578E+0 0E+0 6.33802E+2 0E+0 0E+0 +O2 = +1.000O2 + log_k -2.90 + delta_h -12.134 #kJ/mol +# Enthalpy of formation: +0.000 kJ/mol 89COX/WAG + -analytic -50.25786E-1 00.00000E+0 63.38030E+1 00.00000E+0 00.00000E+0 SO2(g) -SO2 = 2.000H+ + 1.000SO3-2 - 1.000H2O - log_k -8.940 - delta_h -48.420 #kJ/mol - # Enthalpy of formation: -296.81 #kJ/mol #89COX/WAG - -analytic -1.74228E+1 0E+0 2.52915E+3 0E+0 0E+0 +SO2 = +2.000H+ +1.000SO3-2 -1.000H2O + log_k -8.94 + delta_h -48.420 #kJ/mol +# Enthalpy of formation: -296.810 kJ/mol 89COX/WAG + -analytic -17.42282E+0 00.00000E+0 25.29153E+2 00.00000E+0 00.00000E+0 From 92ab6fe573fd7f909abbddaeb4211ce2af5fa8c4 Mon Sep 17 00:00:00 2001 From: David Parkhurst Date: Sat, 18 May 2024 12:28:14 -0600 Subject: [PATCH 4/6] Results with new sit.dat --- mytest/H2S_sit.in.pqi | 316 +- mytest/H2S_sit.out | 3757 +++++++++-------- mytest/H2S_sit_101.sel | 314 +- mytest/MassWater | 2 +- mytest/MassWater.out | 132 +- mytest/MassWater_101.sel | 2 +- mytest/albite_rates | 316 -- mytest/albite_rates.inc | 176 - mytest/albite_rates.out | 173 - mytest/albite_rates_101.sel | 275 -- mytest/count_database_species.out | 5267 ++++++++++++----------- mytest/count_database_species_101.sel | 2 +- mytest/sit_edl.out | 1621 ++++--- mytest/sit_edl_101.sel | 8 +- mytest/sit_redox.out | 5601 ++++++++++++------------- mytest/sit_redox_101.sel | 20 +- mytest/test_sit.out | 65 +- mytest/test_sit_101.sel | 2 +- 18 files changed, 8573 insertions(+), 9476 deletions(-) delete mode 100644 mytest/albite_rates delete mode 100644 mytest/albite_rates.inc delete mode 100644 mytest/albite_rates.out delete mode 100644 mytest/albite_rates_101.sel diff --git a/mytest/H2S_sit.in.pqi b/mytest/H2S_sit.in.pqi index a36a75467..63a834494 100644 --- a/mytest/H2S_sit.in.pqi +++ b/mytest/H2S_sit.in.pqi @@ -1,160 +1,160 @@ dif '' number.....tc.....P_calc..m_obs..m_calc - 5.7945269314444e-02 1 0 1.00 0.205 0.217 - 4.3603298313673e-02 2 5 1.00 0.174 0.182 - 4.5483128130401e-02 3 10 1.00 0.147 0.154 - 3.4256569774170e-02 4 15 1.00 0.127 0.131 - 2.0261245196188e-02 5 20 1.00 0.111 0.113 - 1.4397439875706e-02 6 25 1.00 0.097 0.098 - 6.4327285141053e-04 7 30 1.00 0.086 0.086 --4.4100272391339e-03 8 35 1.00 0.076 0.076 --1.7743005978374e-02 9 40 1.00 0.068 0.067 --3.0954072348184e-02 10 50 1.00 0.054 0.052 --5.3653888380015e-02 11 60 1.00 0.043 0.041 --1.4260449716117e-02 12 70 1.00 0.031 0.031 --2.7651125116387e-03 13 80 1.00 0.021 0.021 - 3.6191648120123e-03 14 90 1.00 0.011 0.011 --1.4588328866681e-01 15 94 1.00 0.008 0.007 - 2.7641952688444e-01 16 30 29.60 1.932 2.466 - 2.1397662051994e-02 17 60 29.60 1.448 1.479 --1.4639071306710e-02 18 90 29.60 1.079 1.064 - 5.5644673200079e-03 19 120 29.60 0.846 0.851 - 3.0658429295879e-02 20 150 29.60 0.682 0.703 - 4.0693907828036e-02 21 180 29.60 0.522 0.544 --1.1449827393263e-02 22 210 29.60 0.306 0.302 --1.1029428903775e-02 23 30 49.30 1.961 1.940 - 4.2835973768238e-02 24 60 49.30 2.174 2.267 --6.0107562555514e-02 25 90 49.30 1.842 1.731 --2.2904499350840e-02 26 120 49.30 1.489 1.455 - 6.5059922279731e-03 27 150 49.30 1.272 1.280 - 4.3509047538156e-02 28 180 49.30 1.069 1.116 - 7.7245260631256e-02 29 210 49.30 0.819 0.882 - 1.0015023283377e-01 30 240 49.30 0.449 0.494 - 9.3168143338971e-03 31 30 98.70 1.970 1.988 --4.7770210353310e-02 32 60 98.70 2.209 2.104 --4.8360236409998e-02 33 90 98.70 2.534 2.412 --4.6871461923824e-02 34 120 98.70 2.753 2.624 --7.3734482921311e-02 35 150 98.70 2.788 2.582 --2.6623366098454e-02 36 180 98.70 2.587 2.518 --3.9900300051232e-03 37 210 98.70 2.388 2.379 - 2.9443663625085e-02 38 240 98.70 2.020 2.080 - 5.7044809796263e-02 39 270 98.70 1.424 1.505 - 4.4456271372899e-02 40 295 98.70 0.676 0.706 - 6.1074380942028e-03 41 30 148.00 2.024 2.037 --2.8056849128418e-02 42 60 148.00 2.240 2.177 --2.1171142360413e-02 43 90 148.00 2.609 2.554 --3.8277588643463e-02 44 120 148.00 3.164 3.043 --4.9886744137114e-02 45 150 148.00 3.632 3.451 --3.2542237916467e-02 46 180 148.00 3.808 3.684 --1.1468524364702e-02 47 210 148.00 3.824 3.780 - 7.5731407061799e-03 48 240 148.00 3.658 3.685 - 1.3181846724653e-02 49 270 148.00 3.250 3.293 --4.3018865533910e-02 50 300 148.00 2.526 2.417 - 9.8175936547056e-03 51 30 197.40 2.064 2.084 --3.4259051232427e-02 52 60 197.40 2.328 2.248 --7.9445834955456e-03 53 90 197.40 2.704 2.682 --7.2640649801642e-02 54 120 197.40 3.551 3.293 - 1.1633108463500e-01 55 150 197.40 3.551 3.964 - 2.8341280944779e-01 56 180 197.40 3.551 4.558 --6.2547533177125e-02 57 210 197.40 5.328 4.995 --5.9647726326266e-02 58 240 197.40 5.558 5.227 --5.5844818942309e-02 59 270 197.40 5.476 5.170 --3.7330210569496e-02 60 300 197.40 4.874 4.692 - 1.0036965418207e-02 61 30 246.70 2.109 2.131 --4.4905755448354e-02 62 60 246.70 2.424 2.315 - 5.1575215746524e-03 63 90 246.70 2.787 2.802 --2.4450067785931e-02 64 120 246.70 3.601 3.513 --5.6054111868260e-02 65 150 246.70 4.623 4.364 --4.3455340827330e-02 66 180 246.70 5.479 5.241 --5.4074968775108e-02 67 210 246.70 6.381 6.036 --5.2357709471952e-02 68 240 246.70 7.039 6.670 --1.9836241534709e-02 69 270 246.70 7.237 7.093 - 6.1010625537359e-03 70 300 246.70 7.299 7.343 - 9.9731401618628e-03 71 30 296.10 2.155 2.176 --3.2435872991616e-02 72 60 296.10 2.458 2.378 - 2.1792548538556e-02 73 90 296.10 2.852 2.914 - 4.6199801699607e-03 74 120 296.10 3.698 3.715 --3.7754759119887e-02 75 150 296.10 4.907 4.721 --9.8989563786079e-03 76 180 296.10 5.899 5.841 --1.0635931365097e-01 77 210 296.10 7.803 6.973 - 1.5206897265446e-02 78 30 345.40 2.187 2.220 --2.1655214681484e-02 79 60 345.40 2.492 2.438 - 3.7865831007300e-02 80 90 345.40 2.908 3.018 - 5.0057340380347e-02 81 120 345.40 3.718 3.904 --3.9454449469651e-02 82 150 345.40 5.260 5.053 --1.9054184603655e-02 83 180 345.40 6.519 6.395 - 1.4222112869334e-02 84 30 394.80 2.231 2.263 --2.7032054576085e-02 85 60 394.80 2.564 2.494 - 4.3534280141357e-02 86 90 394.80 2.986 3.116 - 7.6367654270951e-02 87 120 394.80 3.792 4.081 --2.4752922592858e-02 88 150 394.80 5.501 5.365 --6.9180803101895e-03 89 180 394.80 6.968 6.920 --9.3375191160746e-03 90 30 444.10 2.326 2.304 --3.0133712900165e-02 91 60 444.10 2.626 2.546 --5.8056728880891e-03 92 90 444.10 3.225 3.206 - 3.5857307021172e-03 93 120 444.10 4.231 4.246 --1.3432476945343e-02 94 150 444.10 5.734 5.657 - 8.7160235901902e-03 95 180 444.10 7.355 7.419 --1.4482444819343e-02 96 30 493.50 2.379 2.344 --2.7989230267996e-02 97 60 493.50 2.669 2.595 --1.7777218920209e-03 98 90 493.50 3.295 3.289 - 1.7536888697839e-02 99 120 493.50 4.322 4.398 --2.1864349764300e-04 100 150 493.50 5.934 5.932 - 2.4644093678255e-02 101 180 493.50 7.705 7.895 --9.4235547916119e-03 102 30 542.80 2.406 2.383 --2.6959737846447e-02 103 60 542.80 2.712 2.638 - 1.0743336830459e-03 104 90 542.80 3.360 3.364 - 2.1189161947010e-02 105 120 542.80 4.443 4.537 - 1.0544570193440e-02 106 150 542.80 6.123 6.188 - 3.1884444248537e-02 107 180 542.80 8.087 8.345 --3.2919242447626e-02 108 30 592.10 2.502 2.420 --2.6902333906573e-02 109 60 592.10 2.752 2.678 - 4.3310625369748e-03 110 90 592.10 3.416 3.430 - 3.0987364726099e-02 111 120 592.10 4.524 4.664 - 4.7709474397648e-03 112 150 592.10 6.393 6.424 - 4.0309249621880e-02 113 180 592.10 8.428 8.768 --2.6804054691460e-02 114 30 641.50 2.524 2.456 --2.5295266617797e-02 115 60 641.50 2.785 2.714 - 1.0349996798830e-02 116 90 641.50 3.454 3.490 - 3.9228068717474e-02 117 120 641.50 4.597 4.777 - 2.0596812208985e-02 118 150 641.50 6.506 6.640 --2.4516762049995e-02 119 30 690.80 2.554 2.491 --3.5752925482362e-02 120 60 690.80 2.848 2.747 - 8.6260344215097e-03 121 90 690.80 3.511 3.541 - 3.5173666870631e-02 122 120 690.80 4.712 4.878 - 3.0920973773504e-02 123 150 690.80 6.631 6.836 --3.0319951184552e-02 124 30 740.20 2.605 2.526 --3.7502004644628e-02 125 60 740.20 2.884 2.775 - 1.9758636399374e-03 126 90 740.20 3.579 3.586 - 4.1449282738345e-02 127 120 740.20 4.767 4.965 - 2.4802428310466e-02 128 150 740.20 6.841 7.011 --2.1219127753100e-02 129 30 789.50 2.615 2.560 --4.4363387841149e-02 130 60 789.50 2.931 2.801 --2.5952700212597e-03 131 90 789.50 3.633 3.623 - 3.8124102384361e-02 132 120 789.50 4.854 5.039 - 2.0305617912148e-02 133 150 789.50 7.022 7.165 --2.8191549295350e-02 134 30 888.20 2.705 2.628 --6.3183527992528e-02 135 60 888.20 3.036 2.844 --1.2378419885414e-02 136 90 888.20 3.725 3.679 - 2.9816389375296e-02 137 120 888.20 5.003 5.152 --2.9321887171210e-03 138 150 888.20 7.433 7.411 --3.4432079712455e-02 139 30 986.90 2.796 2.699 --6.4889457261381e-02 140 60 986.90 3.080 2.880 --2.4773485616236e-02 141 90 986.90 3.807 3.712 - 1.3902233705986e-02 142 120 986.90 5.149 5.221 --1.3550468332681e-02 143 150 986.90 7.683 7.579 phi = 3.6179e-01 - 6.2054296675871e-02 1 25 9.86 34.800 35.664 --8.0715225180071e-02 2 25 197.24 34.800 33.676 - 9.7205939315925e-02 3 50 197.34 36.000 37.400 - 1.2674820347162e-01 4 100 197.24 39.000 40.977 - 5.1127342670941e-02 5 150 197.24 43.000 43.879 --4.2955496296203e-02 6 200 197.14 49.200 48.355 --5.3331478910119e-02 7 250 197.14 58.300 57.056 - 1.3260431686764e-01 8 300 197.24 76.600 80.663 --1.8747276927424e-01 9 25 345.17 35.000 32.375 - 8.6749856380125e-03 10 50 345.17 35.800 35.924 - 5.6178678106904e-02 11 100 345.17 38.400 39.263 --4.1794836892688e-02 12 150 345.17 42.500 41.789 --1.1451261125877e-01 13 200 345.07 47.700 45.515 --1.3979604088573e-01 14 250 345.17 55.200 52.113 --4.4043249804245e-02 15 300 345.07 67.900 66.704 phi = 4.9728e-01 \ No newline at end of file + 5.7945269162412e-02 1 0 1.00 0.205 0.217 + 4.3603298394591e-02 2 5 1.00 0.174 0.182 + 4.5483128160262e-02 3 10 1.00 0.147 0.154 + 3.4256571544171e-02 4 15 1.00 0.127 0.131 + 2.0261245196050e-02 5 20 1.00 0.111 0.113 + 1.4397436588917e-02 6 25 1.00 0.097 0.098 + 6.4327284936283e-04 7 30 1.00 0.086 0.086 +-4.4100293132717e-03 8 35 1.00 0.076 0.076 +-1.7743005987811e-02 9 40 1.00 0.068 0.067 +-3.0954072338583e-02 10 50 1.00 0.054 0.052 +-5.3653869505567e-02 11 60 1.00 0.043 0.041 +-1.4260447510430e-02 12 70 1.00 0.031 0.031 +-2.7651208947543e-03 13 80 1.00 0.021 0.021 + 3.6191830775847e-03 14 90 1.00 0.011 0.011 +-1.4588329418071e-01 15 94 1.00 0.008 0.007 + 2.7641952685308e-01 16 30 29.60 1.932 2.466 + 2.1397662051989e-02 17 60 29.60 1.448 1.479 +-1.4639071638516e-02 18 90 29.60 1.079 1.064 + 5.5644635355909e-03 19 120 29.60 0.846 0.851 + 3.0658440750708e-02 20 150 29.60 0.682 0.703 + 4.0693929825808e-02 21 180 29.60 0.522 0.544 +-1.1449828962908e-02 22 210 29.60 0.306 0.302 +-1.1029428358480e-02 23 30 49.30 1.961 1.940 + 4.2835973768014e-02 24 60 49.30 2.174 2.267 +-6.0107562526205e-02 25 90 49.30 1.842 1.731 +-2.2904492705146e-02 26 120 49.30 1.489 1.455 + 6.5059935054488e-03 27 150 49.30 1.272 1.280 + 4.3509064751772e-02 28 180 49.30 1.069 1.116 + 7.7245260611886e-02 29 210 49.30 0.819 0.882 + 1.0015023502772e-01 30 240 49.30 0.449 0.494 + 9.3168142911360e-03 31 30 98.70 1.970 1.988 +-4.7770212102871e-02 32 60 98.70 2.209 2.104 +-4.8360235868923e-02 33 90 98.70 2.534 2.412 +-4.6871461923733e-02 34 120 98.70 2.753 2.624 +-7.3734482797235e-02 35 150 98.70 2.788 2.582 +-2.6623363122092e-02 36 180 98.70 2.587 2.518 +-3.9900302321202e-03 37 210 98.70 2.388 2.379 + 2.9443695758330e-02 38 240 98.70 2.020 2.080 + 5.7044840894883e-02 39 270 98.70 1.424 1.505 + 4.4456386030497e-02 40 295 98.70 0.676 0.706 + 6.1074375362018e-03 41 30 148.00 2.024 2.037 +-2.8056849073812e-02 42 60 148.00 2.240 2.177 +-2.1171142298867e-02 43 90 148.00 2.609 2.554 +-3.8277588822912e-02 44 120 148.00 3.164 3.043 +-4.9886743731198e-02 45 150 148.00 3.632 3.451 +-3.2542238282869e-02 46 180 148.00 3.808 3.684 +-1.1468521850078e-02 47 210 148.00 3.824 3.780 + 7.5731448343677e-03 48 240 148.00 3.658 3.685 + 1.3181846706631e-02 49 270 148.00 3.250 3.293 +-4.3018862064176e-02 50 300 148.00 2.526 2.417 + 9.8175936547475e-03 51 30 197.40 2.064 2.084 +-3.4259050990102e-02 52 60 197.40 2.328 2.248 +-7.9445864163961e-03 53 90 197.40 2.704 2.682 +-7.2640649801662e-02 54 120 197.40 3.551 3.293 + 1.1633108727635e-01 55 150 197.40 3.551 3.964 + 2.8341283151572e-01 56 180 197.40 3.551 4.558 +-6.2547530108520e-02 57 210 197.40 5.328 4.995 +-5.9647779450605e-02 58 240 197.40 5.558 5.227 +-5.5844820351637e-02 59 270 197.40 5.476 5.170 +-3.7330109175999e-02 60 300 197.40 4.874 4.692 + 1.0036965418171e-02 61 30 246.70 2.109 2.131 +-4.4905755367531e-02 62 60 246.70 2.424 2.315 + 5.1575215734689e-03 63 90 246.70 2.787 2.802 +-2.4450067826313e-02 64 120 246.70 3.601 3.513 +-5.6054103034370e-02 65 150 246.70 4.623 4.364 +-4.3455358605703e-02 66 180 246.70 5.479 5.241 +-5.4074967389051e-02 67 210 246.70 6.381 6.036 +-5.2357672973887e-02 68 240 246.70 7.039 6.670 +-1.9836262264154e-02 69 270 246.70 7.237 7.093 + 6.1010603772436e-03 70 300 246.70 7.299 7.343 + 9.9731401101115e-03 71 30 296.10 2.155 2.176 +-3.2435873102266e-02 72 60 296.10 2.458 2.378 + 2.1792548538548e-02 73 90 296.10 2.852 2.914 + 4.6199774887183e-03 74 120 296.10 3.698 3.715 +-3.7754758955557e-02 75 150 296.10 4.907 4.721 +-9.8989545331000e-03 76 180 296.10 5.899 5.841 +-1.0635932475162e-01 77 210 296.10 7.803 6.973 + 1.5206896354179e-02 78 30 345.40 2.187 2.220 +-2.1655214681489e-02 79 60 345.40 2.492 2.438 + 3.7865830670856e-02 80 90 345.40 2.908 3.018 + 5.0057340401367e-02 81 120 345.40 3.718 3.904 +-3.9454448232283e-02 82 150 345.40 5.260 5.053 +-1.9054184603761e-02 83 180 345.40 6.519 6.395 + 1.4222112859347e-02 84 30 394.80 2.231 2.263 +-2.7032054588605e-02 85 60 394.80 2.564 2.494 + 4.3534280148004e-02 86 90 394.80 2.986 3.116 + 7.6367654516837e-02 87 120 394.80 3.792 4.081 +-2.4752935022942e-02 88 150 394.80 5.501 5.365 +-6.9180803102852e-03 89 180 394.80 6.968 6.920 +-9.3375191166726e-03 90 30 444.10 2.326 2.304 +-3.0133712846631e-02 91 60 444.10 2.626 2.546 +-5.8056728880956e-03 92 90 444.10 3.225 3.206 + 3.5857371908044e-03 93 120 444.10 4.231 4.246 +-1.3432476216988e-02 94 150 444.10 5.734 5.657 + 8.7160238870676e-03 95 180 444.10 7.355 7.419 +-1.4482444861875e-02 96 30 493.50 2.379 2.344 +-2.7989230267998e-02 97 60 493.50 2.669 2.595 +-1.7777218926697e-03 98 90 493.50 3.295 3.289 + 1.7536887872937e-02 99 120 493.50 4.322 4.398 +-2.1864385166515e-04 100 150 493.50 5.934 5.932 + 2.4644089325015e-02 101 180 493.50 7.705 7.895 +-9.4235547813319e-03 102 30 542.80 2.406 2.383 +-2.6959737636072e-02 103 60 542.80 2.712 2.638 + 1.0743337033086e-03 104 90 542.80 3.360 3.364 + 2.1189157176162e-02 105 120 542.80 4.443 4.537 + 1.0544570124932e-02 106 150 542.80 6.123 6.188 + 3.1884450168053e-02 107 180 542.80 8.087 8.345 +-3.2919242447896e-02 108 30 592.10 2.502 2.420 +-2.6902334278909e-02 109 60 592.10 2.752 2.678 + 4.3310625592266e-03 110 90 592.10 3.416 3.430 + 3.0987364349704e-02 111 120 592.10 4.524 4.664 + 4.7709474302948e-03 112 150 592.10 6.393 6.424 + 4.0309249621799e-02 113 180 592.10 8.428 8.768 +-2.6804054691309e-02 114 30 641.50 2.524 2.456 +-2.5295266618487e-02 115 60 641.50 2.785 2.714 + 1.0349995983059e-02 116 90 641.50 3.454 3.490 + 3.9228066753686e-02 117 120 641.50 4.597 4.777 + 2.0596812208954e-02 118 150 641.50 6.506 6.640 +-2.4516762056970e-02 119 30 690.80 2.554 2.491 +-3.5752925781625e-02 120 60 690.80 2.848 2.747 + 8.6260356586201e-03 121 90 690.80 3.511 3.541 + 3.5173666870630e-02 122 120 690.80 4.712 4.878 + 3.0920973773470e-02 123 150 690.80 6.631 6.836 +-3.0319951184650e-02 124 30 740.20 2.605 2.526 +-3.7502006604637e-02 125 60 740.20 2.884 2.775 + 1.9758675679378e-03 126 90 740.20 3.579 3.586 + 4.1449282738342e-02 127 120 740.20 4.767 4.965 + 2.4802428371933e-02 128 150 740.20 6.841 7.011 +-2.1219127753172e-02 129 30 789.50 2.615 2.560 +-4.4363385977283e-02 130 60 789.50 2.931 2.801 +-2.5952699268369e-03 131 90 789.50 3.633 3.623 + 3.8124102112059e-02 132 120 789.50 4.854 5.039 + 2.0305618285148e-02 133 150 789.50 7.022 7.165 +-2.8191549295014e-02 134 30 888.20 2.705 2.628 +-6.3183527913658e-02 135 60 888.20 3.036 2.844 +-1.2378419843154e-02 136 90 888.20 3.725 3.679 + 2.9816390811020e-02 137 120 888.20 5.003 5.152 +-2.9321913171605e-03 138 150 888.20 7.433 7.411 +-3.4432079795469e-02 139 30 986.90 2.796 2.699 +-6.4889456973872e-02 140 60 986.90 3.080 2.880 +-2.4773487224091e-02 141 90 986.90 3.807 3.712 + 1.3902233013620e-02 142 120 986.90 5.149 5.221 +-1.3550467887022e-02 143 150 986.90 7.683 7.579 phi = 3.6179e-01 + 6.2054296675881e-02 1 25 9.86 34.800 35.664 +-8.0715225180064e-02 2 25 197.24 34.800 33.676 + 9.7205939315953e-02 3 50 197.34 36.000 37.400 + 1.2674820347200e-01 4 100 197.24 39.000 40.977 + 5.1127342675329e-02 5 150 197.24 43.000 43.879 +-4.2955496250850e-02 6 200 197.14 49.200 48.355 +-5.3331478506008e-02 7 250 197.14 58.300 57.056 + 1.3260431998683e-01 8 300 197.24 76.600 80.663 +-1.8747276927423e-01 9 25 345.17 35.000 32.375 + 8.6749856380414e-03 10 50 345.17 35.800 35.924 + 5.6178678107323e-02 11 100 345.17 38.400 39.263 +-4.1794836888527e-02 12 150 345.17 42.500 41.789 +-1.1451261121646e-01 13 200 345.07 47.700 45.515 +-1.3979604053204e-01 14 250 345.17 55.200 52.113 +-4.4043247224164e-02 15 300 345.07 67.900 66.704 phi = 4.9728e-01 \ No newline at end of file diff --git a/mytest/H2S_sit.out b/mytest/H2S_sit.out index bff59c38f..8c6cb1f02 100644 --- a/mytest/H2S_sit.out +++ b/mytest/H2S_sit.out @@ -1,4 +1,3 @@ -WARNING: Database file from DATABASE keyword is used; command line argument ignored. Input file: H2S_sit Output file: H2S_sit.out Database file: ../database/sit.dat @@ -104,8 +103,8 @@ Initial solution 2. Gamma iterations = 2 Osmotic coefficient = 0.99988 Density of water = 0.99704 - Total H = 1.110198e+02 - Total O = 5.550991e+01 + Total H = 1.110174e+02 + Total O = 5.550868e+01 ----------------------------Distribution of species---------------------------- @@ -118,15 +117,15 @@ Initial solution 2. H(0) 1.664e-25 H2 8.318e-26 8.318e-26 -25.080 -25.080 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -41.980 -41.980 0.000 (0) + O2 0.000e+00 0.000e+00 -41.990 -41.990 0.000 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -22.00 20.99 42.99 H2 + H2(g) -22.00 -22.00 0.00 H2 H2O(g) -1.50 -0.00 1.50 H2O - O2(g) -39.08 -41.98 -2.90 O2 + O2(g) -39.09 -41.99 -2.90 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -188,14 +187,14 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH. Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.000e+00 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.530e-19 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Electrical balance (eq) = -2.445e-19 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 15 Gamma iterations = 4 Osmotic coefficient = 1.00000 Density of water = 0.99704 - Total H = 1.290198e+02 - Total O = 5.550991e+01 + Total H = 1.290174e+02 + Total O = 5.550868e+01 ----------------------------Distribution of species---------------------------- @@ -206,9 +205,9 @@ WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH. OH- 1.127e-11 1.091e-11 -10.948 -10.962 -0.014 (0) H2O 5.551e+01 8.764e-01 1.744 -0.057 0.000 18.07 H(0) 1.074e-17 - H2 5.369e-18 5.369e-18 -17.270 -17.270 0.000 (0) + H2 5.368e-18 5.368e-18 -17.270 -17.270 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -57.714 -57.714 0.000 (0) + O2 0.000e+00 0.000e+00 -57.724 -57.724 0.000 (0) Sg 9.000e+00 H2Sg 5.643e+00 5.643e+00 0.752 0.752 0.000 36.27 (H2Sg)2 1.678e+00 1.678e+00 0.225 0.225 0.000 30.09 @@ -218,10 +217,10 @@ Sg 9.000e+00 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -14.19 28.80 42.99 H2 + H2(g) -14.19 -14.19 0.00 H2 H2O(g) -1.56 -0.06 1.50 H2O H2Sg(g) 1.75 -6.19 -7.94 H2Sg - O2(g) -54.81 -57.71 -2.90 O2 + O2(g) -54.82 -57.72 -2.90 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -307,7 +306,7 @@ H2Sg(g) -0.00 9.938e-01 0.990 0.000e+00 8.783e+00 8.783e+00 ----------------------------Description of solution---------------------------- pH = 4.010 Charge balance - pe = 1.640 Adjusted to redox equilibrium + pe = 1.520 Adjusted to redox equilibrium Specific Conductance (µS/cm, 0°C) = 3 Density (g/cm³) = 1.00185 Volume (L) = 1.00497 @@ -316,14 +315,14 @@ H2Sg(g) -0.00 9.938e-01 0.990 0.000e+00 8.783e+00 8.783e+00 Mass of water (kg) = 9.990e-01 Total alkalinity (eq/kg) = 2.169e-01 Temperature (°C) = 0.00 - Electrical balance (eq) = 6.485e-16 + Electrical balance (eq) = 1.476e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 51 - Gamma iterations = 7 + Iterations = 61 + Gamma iterations = 6 Osmotic coefficient = 1.00000 Density of water = 0.99984 - Total H = 1.113432e+02 - Total O = 5.545492e+01 + Total H = 1.113407e+02 + Total O = 5.545369e+01 ----------------------------Distribution of species---------------------------- @@ -331,12 +330,12 @@ H2Sg(g) -0.00 9.938e-01 0.990 0.000e+00 8.783e+00 8.783e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.878e-05 9.769e-05 -4.005 -4.010 -0.005 0.00 - OH- 1.313e-11 1.299e-11 -10.882 -10.887 -0.005 (0) + OH- 1.313e-11 1.299e-11 -10.882 -10.886 -0.005 (0) H2O 5.551e+01 9.961e-01 1.744 -0.002 0.000 18.02 -H(0) 9.725e-15 - H2 4.862e-15 4.862e-15 -14.313 -14.313 0.000 (0) +H(0) 1.694e-14 + H2 8.472e-15 8.472e-15 -14.072 -14.072 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -72.354 -72.354 0.000 (0) + O2 0.000e+00 0.000e+00 -72.846 -72.846 0.000 (0) Sg 2.169e-01 H2Sg 2.145e-01 2.145e-01 -0.669 -0.669 0.000 26.92 (H2Sg)2 1.136e-03 1.136e-03 -2.945 -2.945 0.000 30.91 @@ -346,10 +345,10 @@ Sg 2.169e-01 Phase SI** log IAP log K(273 K, 1 atm) - H2(g) -11.30 36.18 47.48 H2 + H2(g) -11.06 -11.06 0.00 H2 H2O(g) -2.21 -0.00 2.21 H2O Pressure 0.0 atm, phi 0.988 H2Sg(g) -0.01 -8.02 -8.01 H2Sg Pressure 1.0 atm, phi 0.990 - O2(g) -69.65 -72.35 -2.71 O2 + O2(g) -70.14 -72.85 -2.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -383,7 +382,7 @@ H2Sg(g) -0.00 9.912e-01 0.990 0.000e+00 8.819e+00 8.819e+00 ----------------------------Description of solution---------------------------- pH = 4.000 Charge balance - pe = 1.355 Adjusted to redox equilibrium + pe = 16.142 Adjusted to redox equilibrium Specific Conductance (µS/cm, 5°C) = 3 Density (g/cm³) = 1.00118 Volume (L) = 1.00394 @@ -392,14 +391,14 @@ H2Sg(g) -0.00 9.912e-01 0.990 0.000e+00 8.819e+00 8.819e+00 Mass of water (kg) = 9.986e-01 Total alkalinity (eq/kg) = 1.816e-01 Temperature (°C) = 5.00 - Electrical balance (eq) = 7.777e-15 + Electrical balance (eq) = 1.354e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 42 - Gamma iterations = 8 + Iterations = 61 + Gamma iterations = 6 Osmotic coefficient = 1.00000 Density of water = 0.99996 - Total H = 1.112252e+02 - Total O = 5.543125e+01 + Total H = 1.112227e+02 + Total O = 5.543002e+01 ----------------------------Distribution of species---------------------------- @@ -409,10 +408,10 @@ H2Sg(g) -0.00 9.912e-01 0.990 0.000e+00 8.819e+00 8.819e+00 H+ 1.010e-04 9.989e-05 -3.996 -4.000 -0.005 0.00 OH- 1.999e-11 1.977e-11 -10.699 -10.704 -0.005 (0) H2O 5.551e+01 9.967e-01 1.744 -0.001 0.000 18.02 -H(0) 3.652e-14 - H2 1.826e-14 1.826e-14 -13.739 -13.739 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -71.608 -71.608 0.000 (0) +H(0) 0.000e+00 + H2 0.000e+00 0.000e+00 -43.312 -43.312 0.000 (0) +O(0) 6.771e-13 + O2 3.386e-13 3.386e-13 -12.470 -12.470 0.000 (0) Sg 1.816e-01 H2Sg 1.796e-01 1.796e-01 -0.746 -0.746 0.000 29.51 (H2Sg)2 9.475e-04 9.475e-04 -3.023 -3.023 0.000 30.79 @@ -422,10 +421,10 @@ Sg 1.816e-01 Phase SI** log IAP log K(278 K, 1 atm) - H2(g) -10.71 35.80 46.51 H2 + H2(g) -40.29 -40.29 0.00 H2 H2O(g) -2.06 -0.00 2.06 H2O Pressure 0.0 atm, phi 0.988 H2Sg(g) -0.01 -8.00 -7.99 H2Sg Pressure 1.0 atm, phi 0.990 - O2(g) -68.86 -71.61 -2.75 O2 + O2(g) -9.72 -12.47 -2.75 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -459,7 +458,7 @@ H2Sg(g) -0.01 9.876e-01 0.991 0.000e+00 8.847e+00 8.847e+00 ----------------------------Description of solution---------------------------- pH = 3.992 Charge balance - pe = 15.689 Adjusted to redox equilibrium + pe = 1.622 Adjusted to redox equilibrium Specific Conductance (µS/cm, 10°C) = 4 Density (g/cm³) = 1.00041 Volume (L) = 1.00313 @@ -468,14 +467,14 @@ H2Sg(g) -0.01 9.876e-01 0.991 0.000e+00 8.847e+00 8.847e+00 Mass of water (kg) = 9.980e-01 Total alkalinity (eq/kg) = 1.537e-01 Temperature (°C) = 10.00 - Electrical balance (eq) = 4.547e-15 + Electrical balance (eq) = 1.635e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 81 - Gamma iterations = 6 + Iterations = 41 + Gamma iterations = 7 Osmotic coefficient = 0.99999 Density of water = 0.99970 - Total H = 1.111045e+02 - Total O = 5.539889e+01 + Total H = 1.111021e+02 + Total O = 5.539766e+01 ----------------------------Distribution of species---------------------------- @@ -485,10 +484,10 @@ H2Sg(g) -0.01 9.876e-01 0.991 0.000e+00 8.847e+00 8.847e+00 H+ 1.030e-04 1.018e-04 -3.987 -3.992 -0.005 0.00 OH- 3.006e-11 2.972e-11 -10.522 -10.527 -0.005 (0) H2O 5.551e+01 9.972e-01 1.744 -0.001 0.000 18.02 -H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -42.403 -42.403 0.000 (0) -O(0) 7.073e-13 - O2 3.536e-13 3.536e-13 -12.451 -12.451 0.000 (0) +H(0) 1.077e-14 + H2 5.384e-15 5.384e-15 -14.269 -14.269 0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -68.730 -68.730 0.000 (0) Sg 1.537e-01 H2Sg 1.520e-01 1.520e-01 -0.818 -0.818 0.000 31.64 (H2Sg)2 7.981e-04 7.981e-04 -3.098 -3.098 0.000 30.64 @@ -498,10 +497,10 @@ Sg 1.537e-01 Phase SI** log IAP log K(283 K, 1 atm) - H2(g) -39.36 6.22 45.59 H2 + H2(g) -11.23 -11.23 0.00 H2 H2O(g) -1.91 -0.00 1.91 H2O Pressure 0.0 atm, phi 0.989 H2Sg(g) -0.01 -7.98 -7.98 H2Sg Pressure 1.0 atm, phi 0.991 - O2(g) -9.66 -12.45 -2.79 O2 + O2(g) -65.94 -68.73 -2.79 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -535,7 +534,7 @@ H2Sg(g) -0.01 9.828e-01 0.991 0.000e+00 8.869e+00 8.869e+00 ----------------------------Description of solution---------------------------- pH = 3.986 Charge balance - pe = 1.469 Adjusted to redox equilibrium + pe = 1.600 Adjusted to redox equilibrium Specific Conductance (µS/cm, 15°C) = 5 Density (g/cm³) = 0.99948 Volume (L) = 1.00246 @@ -544,14 +543,14 @@ H2Sg(g) -0.01 9.828e-01 0.991 0.000e+00 8.869e+00 8.869e+00 Mass of water (kg) = 9.972e-01 Total alkalinity (eq/kg) = 1.314e-01 Temperature (°C) = 15.00 - Electrical balance (eq) = -1.219e-17 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 75 - Gamma iterations = 6 + Electrical balance (eq) = 2.733e-17 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 80 + Gamma iterations = 21 Osmotic coefficient = 0.99999 Density of water = 0.99910 - Total H = 1.109723e+02 - Total O = 5.535515e+01 + Total H = 1.109698e+02 + Total O = 5.535391e+01 ----------------------------Distribution of species---------------------------- @@ -559,12 +558,12 @@ H2Sg(g) -0.01 9.828e-01 0.991 0.000e+00 8.869e+00 8.869e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.046e-04 1.034e-04 -3.981 -3.986 -0.005 0.00 - OH- 4.469e-11 4.418e-11 -10.350 -10.355 -0.005 (0) + OH- 4.470e-11 4.418e-11 -10.350 -10.355 -0.005 (0) H2O 5.551e+01 9.976e-01 1.744 -0.001 0.000 18.03 -H(0) 2.173e-14 - H2 1.087e-14 1.087e-14 -13.964 -13.964 0.000 (0) +H(0) 1.188e-14 + H2 5.939e-15 5.939e-15 -14.226 -14.226 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -67.565 -67.565 0.000 (0) + O2 0.000e+00 0.000e+00 -67.050 -67.050 0.000 (0) Sg 1.314e-01 H2Sg 1.299e-01 1.299e-01 -0.886 -0.886 0.000 33.43 (H2Sg)2 6.780e-04 6.780e-04 -3.169 -3.169 0.000 30.48 @@ -574,10 +573,10 @@ Sg 1.314e-01 Phase SI** log IAP log K(288 K, 1 atm) - H2(g) -10.91 33.78 44.69 H2 + H2(g) -11.17 -11.17 0.00 H2 H2O(g) -1.77 -0.00 1.77 H2O Pressure 0.0 atm, phi 0.989 H2Sg(g) -0.01 -7.97 -7.96 H2Sg Pressure 1.0 atm, phi 0.991 - O2(g) -64.74 -67.56 -2.83 O2 + O2(g) -64.22 -67.05 -2.83 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -611,7 +610,7 @@ H2Sg(g) -0.01 9.766e-01 0.992 0.000e+00 8.887e+00 8.887e+00 ----------------------------Description of solution---------------------------- pH = 3.980 Charge balance - pe = 1.482 Adjusted to redox equilibrium + pe = 1.480 Adjusted to redox equilibrium Specific Conductance (µS/cm, 20°C) = 6 Density (g/cm³) = 0.99836 Volume (L) = 1.00187 @@ -620,14 +619,14 @@ H2Sg(g) -0.01 9.766e-01 0.992 0.000e+00 8.887e+00 8.887e+00 Mass of water (kg) = 9.962e-01 Total alkalinity (eq/kg) = 1.132e-01 Temperature (°C) = 20.00 - Electrical balance (eq) = 3.179e-17 + Electrical balance (eq) = 4.394e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 55 - Gamma iterations = 9 + Iterations = 85 + Gamma iterations = 6 Osmotic coefficient = 0.99999 Density of water = 0.99820 - Total H = 1.108187e+02 - Total O = 5.529654e+01 + Total H = 1.108162e+02 + Total O = 5.529530e+01 ----------------------------Distribution of species---------------------------- @@ -635,12 +634,12 @@ H2Sg(g) -0.01 9.766e-01 0.992 0.000e+00 8.887e+00 8.887e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.059e-04 1.046e-04 -3.975 -3.980 -0.005 0.00 - OH- 6.574e-11 6.497e-11 -10.182 -10.187 -0.005 (0) + OH- 6.575e-11 6.497e-11 -10.182 -10.187 -0.005 (0) H2O 5.551e+01 9.980e-01 1.744 -0.001 0.000 18.05 -H(0) 2.037e-14 - H2 1.018e-14 1.018e-14 -13.992 -13.992 0.000 (0) +H(0) 2.057e-14 + H2 1.028e-14 1.028e-14 -13.988 -13.988 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -65.804 -65.804 0.000 (0) + O2 0.000e+00 0.000e+00 -65.823 -65.823 0.000 (0) Sg 1.132e-01 H2Sg 1.120e-01 1.120e-01 -0.951 -0.951 0.000 34.96 (H2Sg)2 5.800e-04 5.800e-04 -3.237 -3.237 0.000 30.29 @@ -650,10 +649,10 @@ Sg 1.132e-01 Phase SI** log IAP log K(293 K, 1 atm) - H2(g) -10.92 32.90 43.83 H2 + H2(g) -10.92 -10.92 0.00 H2 H2O(g) -1.63 -0.00 1.63 H2O Pressure 0.0 atm, phi 0.989 H2Sg(g) -0.01 -7.96 -7.95 H2Sg Pressure 1.0 atm, phi 0.992 - O2(g) -62.94 -65.80 -2.86 O2 + O2(g) -62.96 -65.82 -2.86 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -687,7 +686,7 @@ H2Sg(g) -0.01 9.683e-01 0.992 0.000e+00 8.902e+00 8.902e+00 ----------------------------Description of solution---------------------------- pH = 3.977 Charge balance - pe = 1.480 Adjusted to redox equilibrium + pe = 1.391 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 6 Density (g/cm³) = 0.99706 Volume (L) = 1.00123 @@ -696,14 +695,14 @@ H2Sg(g) -0.01 9.683e-01 0.992 0.000e+00 8.902e+00 8.902e+00 Mass of water (kg) = 9.948e-01 Total alkalinity (eq/kg) = 9.840e-02 Temperature (°C) = 25.00 - Electrical balance (eq) = 6.259e-17 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 63 - Gamma iterations = 15 + Electrical balance (eq) = -2.442e-17 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 57 + Gamma iterations = 6 Osmotic coefficient = 0.99999 Density of water = 0.99704 - Total H = 1.106330e+02 - Total O = 5.521863e+01 + Total H = 1.106306e+02 + Total O = 5.521740e+01 ----------------------------Distribution of species---------------------------- @@ -711,12 +710,12 @@ H2Sg(g) -0.01 9.683e-01 0.992 0.000e+00 8.902e+00 8.902e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.068e-04 1.055e-04 -3.972 -3.977 -0.005 0.00 - OH- 9.576e-11 9.463e-11 -10.019 -10.024 -0.005 (0) + OH- 9.577e-11 9.463e-11 -10.019 -10.024 -0.005 (0) H2O 5.551e+01 9.982e-01 1.744 -0.001 0.000 18.07 -H(0) 2.033e-14 - H2 1.016e-14 1.016e-14 -13.993 -13.993 0.000 (0) +H(0) 3.063e-14 + H2 1.532e-14 1.532e-14 -13.815 -13.815 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -64.155 -64.155 0.000 (0) + O2 0.000e+00 0.000e+00 -64.522 -64.522 0.000 (0) Sg 9.840e-02 H2Sg 9.729e-02 9.729e-02 -1.012 -1.012 0.000 36.27 (H2Sg)2 4.988e-04 4.988e-04 -3.302 -3.302 0.000 30.09 @@ -726,10 +725,10 @@ Sg 9.840e-02 Phase SI** log IAP log K(298 K, 1 atm) - H2(g) -10.91 32.08 42.99 H2 + H2(g) -10.73 -10.73 0.00 H2 H2O(g) -1.50 -0.00 1.50 H2O Pressure 0.0 atm, phi 0.990 H2Sg(g) -0.02 -7.95 -7.94 H2Sg Pressure 1.0 atm, phi 0.992 - O2(g) -61.26 -64.16 -2.90 O2 + O2(g) -61.62 -64.52 -2.90 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -763,7 +762,7 @@ H2Sg(g) -0.02 9.577e-01 0.992 0.000e+00 8.915e+00 8.915e+00 ----------------------------Description of solution---------------------------- pH = 3.975 Charge balance - pe = 1.584 Adjusted to redox equilibrium + pe = 1.475 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 7 Density (g/cm³) = 0.99557 Volume (L) = 1.00042 @@ -772,14 +771,14 @@ H2Sg(g) -0.02 9.577e-01 0.992 0.000e+00 8.915e+00 8.915e+00 Mass of water (kg) = 9.929e-01 Total alkalinity (eq/kg) = 8.606e-02 Temperature (°C) = 30.00 - Electrical balance (eq) = 8.673e-17 + Electrical balance (eq) = 2.989e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 81 - Gamma iterations = 8 + Iterations = 108 + Gamma iterations = 9 Osmotic coefficient = 0.99999 Density of water = 0.99564 - Total H = 1.104023e+02 - Total O = 5.511570e+01 + Total H = 1.103998e+02 + Total O = 5.511447e+01 ----------------------------Distribution of species---------------------------- @@ -789,10 +788,10 @@ H2Sg(g) -0.02 9.577e-01 0.992 0.000e+00 8.915e+00 8.915e+00 H+ 1.072e-04 1.060e-04 -3.970 -3.975 -0.005 0.00 OH- 1.383e-10 1.366e-10 -9.859 -9.865 -0.005 (0) H2O 5.551e+01 9.985e-01 1.744 -0.001 0.000 18.09 -H(0) 1.232e-14 - H2 6.160e-15 6.160e-15 -14.210 -14.210 0.000 (0) +H(0) 2.042e-14 + H2 1.021e-14 1.021e-14 -13.991 -13.991 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.128 -62.128 0.000 (0) + O2 0.000e+00 0.000e+00 -62.577 -62.577 0.000 (0) Sg 8.606e-02 H2Sg 8.509e-02 8.509e-02 -1.070 -1.070 0.000 37.42 (H2Sg)2 4.305e-04 4.305e-04 -3.366 -3.366 0.000 29.87 @@ -802,10 +801,10 @@ Sg 8.606e-02 Phase SI** log IAP log K(303 K, 1 atm) - H2(g) -11.12 31.06 42.18 H2 + H2(g) -10.90 -10.90 0.00 H2 H2O(g) -1.38 -0.00 1.38 H2O Pressure 0.0 atm, phi 0.990 H2Sg(g) -0.02 -7.95 -7.93 H2Sg Pressure 1.0 atm, phi 0.992 - O2(g) -59.19 -62.13 -2.94 O2 + O2(g) -59.64 -62.58 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -839,7 +838,7 @@ H2Sg(g) -0.03 9.440e-01 0.993 0.000e+00 8.925e+00 8.925e+00 ----------------------------Description of solution---------------------------- pH = 3.975 Charge balance - pe = 1.620 Adjusted to redox equilibrium + pe = 1.621 Adjusted to redox equilibrium Specific Conductance (µS/cm, 35°C) = 8 Density (g/cm³) = 0.99389 Volume (L) = 0.99927 @@ -848,14 +847,14 @@ H2Sg(g) -0.03 9.440e-01 0.993 0.000e+00 8.925e+00 8.925e+00 Mass of water (kg) = 9.905e-01 Total alkalinity (eq/kg) = 7.566e-02 Temperature (°C) = 35.00 - Electrical balance (eq) = 1.189e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 56 - Gamma iterations = 6 + Electrical balance (eq) = -6.288e-17 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 71 + Gamma iterations = 7 Osmotic coefficient = 0.99999 Density of water = 0.99403 - Total H = 1.101105e+02 - Total O = 5.498032e+01 + Total H = 1.101081e+02 + Total O = 5.497908e+01 ----------------------------Distribution of species---------------------------- @@ -865,10 +864,10 @@ H2Sg(g) -0.03 9.440e-01 0.993 0.000e+00 8.925e+00 8.925e+00 H+ 1.073e-04 1.060e-04 -3.969 -3.975 -0.005 0.00 OH- 1.980e-10 1.956e-10 -9.703 -9.709 -0.005 (0) H2O 5.551e+01 9.986e-01 1.744 -0.001 0.000 18.12 -H(0) 1.017e-14 - H2 5.086e-15 5.086e-15 -14.294 -14.294 0.000 (0) +H(0) 1.015e-14 + H2 5.077e-15 5.077e-15 -14.294 -14.294 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -60.420 -60.420 0.000 (0) + O2 0.000e+00 0.000e+00 -60.429 -60.429 0.000 (0) Sg 7.566e-02 H2Sg 7.481e-02 7.481e-02 -1.126 -1.126 0.000 38.44 (H2Sg)2 3.722e-04 3.722e-04 -3.429 -3.429 0.000 29.63 @@ -878,10 +877,10 @@ Sg 7.566e-02 Phase SI** log IAP log K(308 K, 1 atm) - H2(g) -11.19 30.21 41.40 H2 + H2(g) -11.19 -11.19 0.00 H2 H2O(g) -1.26 -0.00 1.26 H2O Pressure 0.1 atm, phi 0.990 H2Sg(g) -0.03 -7.95 -7.92 H2Sg Pressure 0.9 atm, phi 0.993 - O2(g) -57.45 -60.42 -2.97 O2 + O2(g) -57.46 -60.43 -2.97 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -915,7 +914,7 @@ H2Sg(g) -0.03 9.266e-01 0.993 0.000e+00 8.934e+00 8.934e+00 ----------------------------Description of solution---------------------------- pH = 3.976 Charge balance - pe = 1.553 Adjusted to redox equilibrium + pe = 1.631 Adjusted to redox equilibrium Specific Conductance (µS/cm, 40°C) = 9 Density (g/cm³) = 0.99203 Volume (L) = 0.99759 @@ -924,14 +923,14 @@ H2Sg(g) -0.03 9.266e-01 0.993 0.000e+00 8.934e+00 8.934e+00 Mass of water (kg) = 9.873e-01 Total alkalinity (eq/kg) = 6.679e-02 Temperature (°C) = 40.00 - Electrical balance (eq) = 6.950e-16 + Electrical balance (eq) = 1.690e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 50 - Gamma iterations = 6 + Iterations = 117 + Gamma iterations = 7 Osmotic coefficient = 0.99999 Density of water = 0.99221 - Total H = 1.097371e+02 - Total O = 5.480263e+01 + Total H = 1.097347e+02 + Total O = 5.480140e+01 ----------------------------Distribution of species---------------------------- @@ -941,10 +940,10 @@ H2Sg(g) -0.03 9.266e-01 0.993 0.000e+00 8.934e+00 8.934e+00 H+ 1.069e-04 1.056e-04 -3.971 -3.976 -0.005 0.00 OH- 2.816e-10 2.782e-10 -9.550 -9.556 -0.005 (0) H2O 5.551e+01 9.988e-01 1.744 -0.001 0.000 18.16 -H(0) 1.337e-14 - H2 6.685e-15 6.685e-15 -14.175 -14.175 0.000 (0) +H(0) 9.344e-15 + H2 4.672e-15 4.672e-15 -14.330 -14.330 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -59.166 -59.166 0.000 (0) + O2 0.000e+00 0.000e+00 -58.865 -58.865 0.000 (0) Sg 6.679e-02 H2Sg 6.604e-02 6.604e-02 -1.180 -1.180 0.000 39.35 (H2Sg)2 3.216e-04 3.216e-04 -3.493 -3.493 0.000 29.37 @@ -954,10 +953,10 @@ Sg 6.679e-02 Phase SI** log IAP log K(313 K, 1 atm) - H2(g) -11.06 29.58 40.64 H2 + H2(g) -11.22 -11.22 0.00 H2 H2O(g) -1.14 -0.00 1.14 H2O Pressure 0.1 atm, phi 0.991 H2Sg(g) -0.04 -7.95 -7.92 H2Sg Pressure 0.9 atm, phi 0.993 - O2(g) -56.16 -59.17 -3.00 O2 + O2(g) -55.86 -58.87 -3.00 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -991,23 +990,23 @@ H2Sg(g) -0.06 8.776e-01 0.994 0.000e+00 8.949e+00 8.949e+00 ----------------------------Description of solution---------------------------- pH = 3.987 Charge balance - pe = 1.609 Adjusted to redox equilibrium + pe = 1.548 Adjusted to redox equilibrium Specific Conductance (µS/cm, 50°C) = 10 Density (g/cm³) = 0.98782 - Volume (L) = 0.99145 + Volume (L) = 0.99144 Activity of water = 0.999 Ionic strength (mol/kgw) = 1.044e-04 Mass of water (kg) = 9.775e-01 Total alkalinity (eq/kg) = 5.233e-02 Temperature (°C) = 50.00 - Electrical balance (eq) = 1.305e-15 + Electrical balance (eq) = 2.799e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 129 - Gamma iterations = 7 + Iterations = 56 + Gamma iterations = 8 Osmotic coefficient = 0.99998 Density of water = 0.98803 - Total H = 1.086267e+02 - Total O = 5.426220e+01 + Total H = 1.086242e+02 + Total O = 5.426096e+01 ----------------------------Distribution of species---------------------------- @@ -1017,10 +1016,10 @@ H2Sg(g) -0.06 8.776e-01 0.994 0.000e+00 8.949e+00 8.949e+00 H+ 1.044e-04 1.031e-04 -3.981 -3.987 -0.005 0.00 OH- 5.600e-10 5.531e-10 -9.252 -9.257 -0.005 (0) H2O 5.551e+01 9.991e-01 1.744 -0.000 0.000 18.23 -H(0) 9.387e-15 - H2 4.694e-15 4.694e-15 -14.328 -14.328 0.000 (0) +H(0) 1.243e-14 + H2 6.215e-15 6.215e-15 -14.207 -14.207 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -56.014 -56.014 0.000 (0) + O2 0.000e+00 0.000e+00 -56.268 -56.268 0.000 (0) Sg 5.233e-02 H2Sg 5.175e-02 5.175e-02 -1.286 -1.286 0.000 40.92 (H2Sg)2 2.368e-04 2.368e-04 -3.626 -3.626 0.000 28.78 @@ -1030,10 +1029,10 @@ Sg 5.233e-02 Phase SI** log IAP log K(323 K, 1 atm) - H2(g) -11.19 28.01 39.20 H2 + H2(g) -11.07 -11.07 0.00 H2 H2O(g) -0.92 -0.00 0.92 H2O Pressure 0.1 atm, phi 0.991 H2Sg(g) -0.06 -7.97 -7.91 H2Sg Pressure 0.9 atm, phi 0.994 - O2(g) -52.95 -56.01 -3.06 O2 + O2(g) -53.20 -56.27 -3.06 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1067,7 +1066,7 @@ H2Sg(g) -0.10 8.028e-01 0.994 0.000e+00 8.961e+00 8.961e+00 ----------------------------Description of solution---------------------------- pH = 4.008 Charge balance - pe = 1.539 Adjusted to redox equilibrium + pe = 1.283 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 12 Density (g/cm³) = 0.98298 Volume (L) = 0.97840 @@ -1076,14 +1075,14 @@ H2Sg(g) -0.10 8.028e-01 0.994 0.000e+00 8.961e+00 8.961e+00 Mass of water (kg) = 9.603e-01 Total alkalinity (eq/kg) = 4.069e-02 Temperature (°C) = 60.00 - Electrical balance (eq) = -1.559e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 122 - Gamma iterations = 9 + Electrical balance (eq) = 1.869e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 89 + Gamma iterations = 7 Osmotic coefficient = 0.99998 Density of water = 0.98319 - Total H = 1.066950e+02 - Total O = 5.330841e+01 + Total H = 1.066925e+02 + Total O = 5.330718e+01 ----------------------------Distribution of species---------------------------- @@ -1093,10 +1092,10 @@ H2Sg(g) -0.10 8.028e-01 0.994 0.000e+00 8.961e+00 8.961e+00 H+ 9.934e-05 9.812e-05 -4.003 -4.008 -0.005 0.00 OH- 1.098e-09 1.084e-09 -8.959 -8.965 -0.005 (0) H2O 5.551e+01 9.993e-01 1.744 -0.000 0.000 18.32 -H(0) 1.120e-14 - H2 5.598e-15 5.598e-15 -14.252 -14.252 0.000 (0) +H(0) 3.644e-14 + H2 1.822e-14 1.822e-14 -13.739 -13.739 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.493 -53.493 0.000 (0) + O2 0.000e+00 0.000e+00 -54.528 -54.528 0.000 (0) Sg 4.069e-02 H2Sg 4.026e-02 4.026e-02 -1.395 -1.395 0.000 42.24 (H2Sg)2 1.668e-04 1.668e-04 -3.778 -3.778 0.000 28.10 @@ -1106,10 +1105,10 @@ Sg 4.069e-02 Phase SI** log IAP log K(333 K, 1 atm) - H2(g) -11.09 26.75 37.84 H2 + H2(g) -10.58 -10.58 0.00 H2 H2O(g) -0.71 -0.00 0.71 H2O Pressure 0.2 atm, phi 0.991 H2Sg(g) -0.10 -8.02 -7.92 H2Sg Pressure 0.8 atm, phi 0.994 - O2(g) -50.37 -53.49 -3.12 O2 + O2(g) -51.40 -54.53 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1143,7 +1142,7 @@ H2Sg(g) -0.16 6.919e-01 0.995 0.000e+00 8.972e+00 8.972e+00 ----------------------------Description of solution---------------------------- pH = 4.046 Charge balance - pe = 1.437 Adjusted to redox equilibrium + pe = 1.506 Adjusted to redox equilibrium Specific Conductance (µS/cm, 70°C) = 12 Density (g/cm³) = 0.97758 Volume (L) = 0.95037 @@ -1152,14 +1151,14 @@ H2Sg(g) -0.16 6.919e-01 0.995 0.000e+00 8.972e+00 8.972e+00 Mass of water (kg) = 9.280e-01 Total alkalinity (eq/kg) = 3.056e-02 Temperature (°C) = 70.00 - Electrical balance (eq) = 7.734e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 75 - Gamma iterations = 19 + Electrical balance (eq) = -9.361e-17 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 116 + Gamma iterations = 9 Osmotic coefficient = 0.99998 Density of water = 0.97776 - Total H = 1.030872e+02 - Total O = 5.151526e+01 + Total H = 1.030848e+02 + Total O = 5.151403e+01 ----------------------------Distribution of species---------------------------- @@ -1167,12 +1166,12 @@ H2Sg(g) -0.16 6.919e-01 0.995 0.000e+00 8.972e+00 8.972e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.101e-05 8.991e-05 -4.041 -4.046 -0.005 0.00 - OH- 2.155e-09 2.129e-09 -8.667 -8.672 -0.005 (0) + OH- 2.155e-09 2.129e-09 -8.666 -8.672 -0.005 (0) H2O 5.551e+01 9.994e-01 1.744 -0.000 0.000 18.43 -H(0) 1.437e-14 - H2 7.185e-15 7.185e-15 -14.144 -14.144 0.000 (0) +H(0) 1.050e-14 + H2 5.248e-15 5.248e-15 -14.280 -14.280 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -51.191 -51.191 0.000 (0) + O2 0.000e+00 0.000e+00 -50.929 -50.929 0.000 (0) Sg 3.056e-02 H2Sg 3.025e-02 3.025e-02 -1.519 -1.519 0.000 43.37 (H2Sg)2 1.067e-04 1.067e-04 -3.972 -3.972 0.000 27.32 @@ -1182,10 +1181,10 @@ Sg 3.056e-02 Phase SI** log IAP log K(343 K, 1 atm) - H2(g) -10.97 25.60 36.56 H2 + H2(g) -11.10 -11.10 0.00 H2 H2O(g) -0.52 -0.00 0.51 H2O Pressure 0.3 atm, phi 0.991 H2Sg(g) -0.16 -8.09 -7.93 H2Sg Pressure 0.7 atm, phi 0.995 - O2(g) -48.01 -51.19 -3.18 O2 + O2(g) -47.75 -50.93 -3.18 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1219,7 +1218,7 @@ H2Sg(g) -0.27 5.324e-01 0.996 0.000e+00 8.982e+00 8.982e+00 ----------------------------Description of solution---------------------------- pH = 4.112 Charge balance - pe = 1.319 Adjusted to redox equilibrium + pe = 1.368 Adjusted to redox equilibrium Specific Conductance (µS/cm, 80°C) = 12 Density (g/cm³) = 0.97165 Volume (L) = 0.88356 @@ -1228,14 +1227,14 @@ H2Sg(g) -0.27 5.324e-01 0.996 0.000e+00 8.982e+00 8.982e+00 Mass of water (kg) = 8.579e-01 Total alkalinity (eq/kg) = 2.094e-02 Temperature (°C) = 80.00 - Electrical balance (eq) = 1.731e-19 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 74 + Electrical balance (eq) = -4.492e-17 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 76 Gamma iterations = 9 Osmotic coefficient = 0.99997 Density of water = 0.97179 - Total H = 9.527579e+01 - Total O = 4.761993e+01 + Total H = 9.527333e+01 + Total O = 4.761870e+01 ----------------------------Distribution of species---------------------------- @@ -1243,12 +1242,12 @@ H2Sg(g) -0.27 5.324e-01 0.996 0.000e+00 8.982e+00 8.982e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 7.815e-05 7.726e-05 -4.107 -4.112 -0.005 0.00 - OH- 4.362e-09 4.313e-09 -8.360 -8.365 -0.005 (0) + OH- 4.363e-09 4.313e-09 -8.360 -8.365 -0.005 (0) H2O 5.551e+01 9.996e-01 1.744 -0.000 0.000 18.54 -H(0) 1.756e-14 - H2 8.779e-15 8.779e-15 -14.057 -14.057 0.000 (0) +H(0) 1.398e-14 + H2 6.991e-15 6.991e-15 -14.155 -14.155 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.990 -48.990 0.000 (0) + O2 0.000e+00 0.000e+00 -48.802 -48.802 0.000 (0) Sg 2.094e-02 H2Sg 2.075e-02 2.075e-02 -1.683 -1.683 0.000 44.39 HSg- 7.815e-05 7.726e-05 -4.107 -4.112 -0.005 20.64 @@ -1258,10 +1257,10 @@ Sg 2.094e-02 Phase SI** log IAP log K(353 K, 1 atm) - H2(g) -10.86 24.49 35.36 H2 + H2(g) -10.96 -10.96 0.00 H2 H2O(g) -0.33 -0.00 0.33 H2O Pressure 0.5 atm, phi 0.991 H2Sg(g) -0.28 -8.22 -7.95 H2Sg Pressure 0.5 atm, phi 0.996 - O2(g) -45.76 -48.99 -3.23 O2 + O2(g) -45.57 -48.80 -3.23 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1295,23 +1294,23 @@ H2Sg(g) -0.51 3.087e-01 0.997 0.000e+00 8.993e+00 8.993e+00 ----------------------------Description of solution---------------------------- pH = 4.242 Charge balance - pe = 1.123 Adjusted to redox equilibrium + pe = 1.110 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 10 Density (g/cm³) = 0.96523 - Volume (L) = 0.66040 + Volume (L) = 0.66039 Activity of water = 1.000 Ionic strength (mol/kgw) = 5.782e-05 Mass of water (kg) = 6.372e-01 Total alkalinity (eq/kg) = 1.104e-02 Temperature (°C) = 90.00 - Electrical balance (eq) = -7.612e-17 + Electrical balance (eq) = -6.124e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 102 + Iterations = 113 Gamma iterations = 16 Osmotic coefficient = 0.99996 Density of water = 0.96531 - Total H = 7.075404e+01 - Total O = 3.536999e+01 + Total H = 7.075158e+01 + Total O = 3.536875e+01 ----------------------------Distribution of species---------------------------- @@ -1321,10 +1320,10 @@ H2Sg(g) -0.51 3.087e-01 0.997 0.000e+00 8.993e+00 8.993e+00 H+ 5.782e-05 5.724e-05 -4.238 -4.242 -0.004 0.00 OH- 9.928e-09 9.828e-09 -8.003 -8.008 -0.004 (0) H2O 5.551e+01 9.998e-01 1.744 -0.000 0.000 18.66 -H(0) 2.280e-14 - H2 1.140e-14 1.140e-14 -13.943 -13.943 0.000 (0) +H(0) 2.419e-14 + H2 1.210e-14 1.210e-14 -13.917 -13.917 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.972 -46.972 0.000 (0) + O2 0.000e+00 0.000e+00 -47.033 -47.033 0.000 (0) Sg 1.104e-02 H2Sg 1.095e-02 1.095e-02 -1.961 -1.961 0.000 45.31 HSg- 5.781e-05 5.723e-05 -4.238 -4.242 -0.004 20.26 @@ -1334,10 +1333,10 @@ Sg 1.104e-02 Phase SI** log IAP log K(363 K, 1 atm) - H2(g) -10.73 23.49 34.22 H2 + H2(g) -10.71 -10.71 0.00 H2 H2O(g) -0.16 -0.00 0.16 H2O Pressure 0.7 atm, phi 0.991 H2Sg(g) -0.51 -8.48 -7.97 H2Sg Pressure 0.3 atm, phi 0.997 - O2(g) -43.69 -46.97 -3.28 O2 + O2(g) -43.75 -47.03 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1371,23 +1370,23 @@ H2Sg(g) -0.70 1.973e-01 0.998 0.000e+00 8.998e+00 8.998e+00 ----------------------------Description of solution---------------------------- pH = 4.345 Charge balance - pe = 0.333 Adjusted to redox equilibrium + pe = 0.258 Adjusted to redox equilibrium Specific Conductance (µS/cm, 94°C) = 8 Density (g/cm³) = 0.96253 - Volume (L) = 0.35389 + Volume (L) = 0.35388 Activity of water = 1.000 Ionic strength (mol/kgw) = 4.559e-05 Mass of water (kg) = 3.405e-01 Total alkalinity (eq/kg) = 6.833e-03 Temperature (°C) = 94.00 - Electrical balance (eq) = 3.298e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 167 - Gamma iterations = 24 + Electrical balance (eq) = -3.557e-18 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 153 + Gamma iterations = 35 Osmotic coefficient = 0.99996 Density of water = 0.96258 - Total H = 3.781227e+01 - Total O = 1.890381e+01 + Total H = 3.780980e+01 + Total O = 1.890257e+01 ----------------------------Distribution of species---------------------------- @@ -1397,10 +1396,10 @@ H2Sg(g) -0.70 1.973e-01 0.998 0.000e+00 8.998e+00 8.998e+00 H+ 4.559e-05 4.518e-05 -4.341 -4.345 -0.004 0.00 OH- 1.537e-08 1.523e-08 -7.813 -7.817 -0.004 (0) H2O 5.551e+01 9.999e-01 1.744 -0.000 0.000 18.72 -H(0) 5.323e-13 - H2 2.662e-13 2.662e-13 -12.575 -12.575 0.000 (0) +H(0) 7.524e-13 + H2 3.762e-13 3.762e-13 -12.425 -12.425 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -48.845 -48.845 0.000 (0) + O2 0.000e+00 0.000e+00 -49.155 -49.155 0.000 (0) Sg 6.833e-03 H2Sg 6.774e-03 6.774e-03 -2.169 -2.169 0.000 45.66 HSg- 4.558e-05 4.516e-05 -4.341 -4.345 -0.004 20.08 @@ -1410,10 +1409,10 @@ Sg 6.833e-03 Phase SI** log IAP log K(367 K, 1 atm) - H2(g) -9.36 24.42 33.78 H2 + H2(g) -9.21 -9.21 0.00 H2 H2O(g) -0.10 -0.00 0.10 H2O Pressure 0.8 atm, phi 0.991 H2Sg(g) -0.71 -8.69 -7.98 H2Sg Pressure 0.2 atm, phi 0.998 - O2(g) -45.55 -48.84 -3.30 O2 + O2(g) -45.86 -49.16 -3.30 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1470,7 +1469,7 @@ H2Sg(g) 1.47 2.954e+01 0.780 0.000e+00 6.535e+00 6.535e+00 ----------------------------Description of solution---------------------------- pH = 3.288 Charge balance - pe = 2.156 Adjusted to redox equilibrium + pe = 2.104 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 37 Density (g/cm³) = 1.00459 Volume (L) = 1.08379 @@ -1480,14 +1479,14 @@ H2Sg(g) 1.47 2.954e+01 0.780 0.000e+00 6.535e+00 6.535e+00 Total alkalinity (eq/kg) = 2.466e+00 Temperature (°C) = 30.00 Pressure (atm) = 29.60 - Electrical balance (eq) = 3.253e-17 + Electrical balance (eq) = 1.090e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 47 - Gamma iterations = 18 + Iterations = 49 + Gamma iterations = 6 Osmotic coefficient = 1.00000 Density of water = 0.99691 - Total H = 1.159256e+02 - Total O = 5.549730e+01 + Total H = 1.159231e+02 + Total O = 5.549606e+01 ----------------------------Distribution of species---------------------------- @@ -1497,12 +1496,12 @@ H2Sg(g) 1.47 2.954e+01 0.780 0.000e+00 6.535e+00 6.535e+00 H+ 5.293e-04 5.156e-04 -3.276 -3.288 -0.011 0.00 OH- 2.832e-11 2.758e-11 -10.548 -10.559 -0.011 (0) H2O 5.551e+01 9.608e-01 1.744 -0.017 0.000 18.07 -H(0) 2.100e-14 - H2 1.050e-14 1.050e-14 -13.979 -13.979 0.000 (0) +H(0) 2.660e-14 + H2 1.330e-14 1.330e-14 -13.876 -13.876 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.606 -62.606 0.000 (0) + O2 0.000e+00 0.000e+00 -62.822 -62.822 0.000 (0) Sg 2.466e+00 - H2Sg 1.977e+00 1.977e+00 0.296 0.296 0.000 37.08 + H2Sg 1.977e+00 1.977e+00 0.296 0.296 -0.000 37.08 (H2Sg)2 2.442e-01 2.442e-01 -0.612 -0.612 0.000 31.19 HSg- 5.293e-04 5.156e-04 -3.276 -3.288 -0.011 20.80 @@ -1510,10 +1509,10 @@ Sg 2.466e+00 Phase SI** log IAP log K(303 K, 30 atm) - H2(g) -10.89 31.29 42.17 H2 + H2(g) -10.78 -10.78 0.00 H2 H2O(g) -1.39 -0.02 1.37 H2O Pressure 0.1 atm, phi 0.722 H2Sg(g) 1.36 -6.58 -7.94 H2Sg Pressure 29.5 atm, phi 0.780 - O2(g) -59.67 -62.61 -2.94 O2 + O2(g) -59.89 -62.82 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1547,7 +1546,7 @@ H2Sg(g) 1.47 2.935e+01 0.831 0.000e+00 7.522e+00 7.522e+00 ----------------------------Description of solution---------------------------- pH = 3.271 Charge balance - pe = 12.530 Adjusted to redox equilibrium + pe = 2.292 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 67 Density (g/cm³) = 0.98494 Volume (L) = 1.06828 @@ -1557,14 +1556,14 @@ H2Sg(g) 1.47 2.935e+01 0.831 0.000e+00 7.522e+00 7.522e+00 Total alkalinity (eq/kg) = 1.479e+00 Temperature (°C) = 60.00 Pressure (atm) = 29.60 - Electrical balance (eq) = 1.665e-14 + Electrical balance (eq) = 1.666e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 56 + Iterations = 46 Gamma iterations = 5 Osmotic coefficient = 0.99999 Density of water = 0.98444 - Total H = 1.138477e+02 - Total O = 5.544628e+01 + Total H = 1.138453e+02 + Total O = 5.544505e+01 ----------------------------Distribution of species---------------------------- @@ -1574,10 +1573,10 @@ H2Sg(g) 1.47 2.935e+01 0.831 0.000e+00 7.522e+00 7.522e+00 H+ 5.518e-04 5.363e-04 -3.258 -3.271 -0.012 0.00 OH- 2.033e-10 1.976e-10 -9.692 -9.704 -0.012 (0) H2O 5.551e+01 9.763e-01 1.744 -0.010 0.000 18.30 -H(0) 3.492e-35 - H2 1.746e-35 1.746e-35 -34.758 -34.758 0.000 (0) -O(0) 6.554e-13 - O2 3.277e-13 3.277e-13 -12.484 -12.484 0.000 (0) +H(0) 1.042e-14 + H2 5.212e-15 5.212e-15 -14.283 -14.283 0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -53.444 -53.444 0.000 (0) Sg 1.479e+00 H2Sg 1.177e+00 1.177e+00 0.071 0.071 0.000 41.84 (H2Sg)2 1.509e-01 1.509e-01 -0.821 -0.821 0.000 29.45 @@ -1587,10 +1586,10 @@ Sg 1.479e+00 Phase SI** log IAP log K(333 K, 30 atm) - H2(g) -31.60 6.23 37.83 H2 + H2(g) -11.13 -11.13 0.00 H2 H2O(g) -0.71 -0.01 0.70 H2O Pressure 0.2 atm, phi 0.784 H2Sg(g) 1.39 -6.54 -7.93 H2Sg Pressure 29.4 atm, phi 0.831 - O2(g) -9.36 -12.48 -3.12 O2 + O2(g) -50.32 -53.44 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1624,7 +1623,7 @@ H2Sg(g) 1.46 2.877e+01 0.867 0.000e+00 7.941e+00 7.941e+00 ----------------------------Description of solution---------------------------- pH = 3.292 Charge balance - pe = 2.292 Adjusted to redox equilibrium + pe = 2.093 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 94 Density (g/cm³) = 0.96549 Volume (L) = 1.07106 @@ -1634,14 +1633,14 @@ H2Sg(g) 1.46 2.877e+01 0.867 0.000e+00 7.941e+00 7.941e+00 Total alkalinity (eq/kg) = 1.064e+00 Temperature (°C) = 90.00 Pressure (atm) = 29.60 - Electrical balance (eq) = 1.280e-15 + Electrical balance (eq) = 1.495e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 38 - Gamma iterations = 7 + Iterations = 86 + Gamma iterations = 16 Osmotic coefficient = 0.99999 Density of water = 0.96665 - Total H = 1.126794e+02 - Total O = 5.528061e+01 + Total H = 1.126770e+02 + Total O = 5.527938e+01 ----------------------------Distribution of species---------------------------- @@ -1651,10 +1650,10 @@ H2Sg(g) 1.46 2.877e+01 0.867 0.000e+00 7.941e+00 7.941e+00 H+ 5.256e-04 5.102e-04 -3.279 -3.292 -0.013 0.00 OH- 1.137e-09 1.103e-09 -8.944 -8.957 -0.013 (0) H2O 5.551e+01 9.829e-01 1.744 -0.007 0.000 18.64 -H(0) 8.350e-15 - H2 4.175e-15 4.175e-15 -14.379 -14.379 0.000 (0) +H(0) 2.084e-14 + H2 1.042e-14 1.042e-14 -13.982 -13.982 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.099 -46.099 0.000 (0) + O2 0.000e+00 0.000e+00 -46.903 -46.903 0.000 (0) Sg 1.064e+00 H2Sg 8.498e-01 8.498e-01 -0.071 -0.071 0.000 44.87 (H2Sg)2 1.066e-01 1.066e-01 -0.972 -0.972 0.000 26.79 @@ -1664,10 +1663,10 @@ Sg 1.064e+00 Phase SI** log IAP log K(363 K, 30 atm) - H2(g) -11.17 23.04 34.21 H2 + H2(g) -10.77 -10.77 0.00 H2 H2O(g) -0.16 -0.01 0.16 H2O Pressure 0.8 atm, phi 0.825 H2Sg(g) 1.40 -6.58 -7.98 H2Sg Pressure 28.8 atm, phi 0.867 - O2(g) -42.82 -46.10 -3.28 O2 + O2(g) -43.62 -46.90 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1701,7 +1700,7 @@ H2Sg(g) 1.44 2.733e+01 0.894 0.000e+00 8.160e+00 8.160e+00 ----------------------------Description of solution---------------------------- pH = 3.350 Charge balance - pe = 2.141 Adjusted to redox equilibrium + pe = 2.126 Adjusted to redox equilibrium Specific Conductance (µS/cm, 120°C) = 112 Density (g/cm³) = 0.94275 Volume (L) = 1.07997 @@ -1711,14 +1710,14 @@ H2Sg(g) 1.44 2.733e+01 0.894 0.000e+00 8.160e+00 8.160e+00 Total alkalinity (eq/kg) = 8.508e-01 Temperature (°C) = 120.00 Pressure (atm) = 29.60 - Electrical balance (eq) = 3.844e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 41 - Gamma iterations = 7 + Electrical balance (eq) = -1.858e-19 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 43 + Gamma iterations = 6 Osmotic coefficient = 0.99999 Density of water = 0.94454 - Total H = 1.113465e+02 - Total O = 5.483282e+01 + Total H = 1.113440e+02 + Total O = 5.483159e+01 ----------------------------Distribution of species---------------------------- @@ -1728,10 +1727,10 @@ H2Sg(g) 1.44 2.733e+01 0.894 0.000e+00 8.160e+00 8.160e+00 H+ 4.606e-04 4.469e-04 -3.337 -3.350 -0.013 0.00 OH- 5.334e-09 5.175e-09 -8.273 -8.286 -0.013 (0) H2O 5.551e+01 9.862e-01 1.744 -0.006 0.000 19.07 -H(0) 1.150e-14 - H2 5.752e-15 5.752e-15 -14.240 -14.240 0.000 (0) +H(0) 1.235e-14 + H2 6.175e-15 6.175e-15 -14.209 -14.209 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -40.326 -40.326 0.000 (0) + O2 0.000e+00 0.000e+00 -40.398 -40.398 0.000 (0) Sg 8.508e-01 H2Sg 6.922e-01 6.922e-01 -0.160 -0.160 -0.000 47.34 (H2Sg)2 7.908e-02 7.908e-02 -1.102 -1.102 0.000 22.77 @@ -1741,10 +1740,10 @@ Sg 8.508e-01 Phase SI** log IAP log K(393 K, 30 atm) - H2(g) -10.98 20.16 31.14 H2 + H2(g) -10.95 -10.95 0.00 H2 H2O(g) 0.29 -0.01 -0.29 H2O Pressure 2.3 atm, phi 0.852 H2Sg(g) 1.39 -6.70 -8.09 H2Sg Pressure 27.3 atm, phi 0.894 - O2(g) -36.91 -40.33 -3.41 O2 + O2(g) -36.98 -40.40 -3.41 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1778,7 +1777,7 @@ H2Sg(g) 1.39 2.432e+01 0.917 0.000e+00 8.319e+00 8.319e+00 ----------------------------Description of solution---------------------------- pH = 3.445 Charge balance - pe = 2.004 Adjusted to redox equilibrium + pe = 2.017 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 114 Density (g/cm³) = 0.91618 Volume (L) = 1.08283 @@ -1788,14 +1787,14 @@ H2Sg(g) 1.39 2.432e+01 0.917 0.000e+00 8.319e+00 8.319e+00 Total alkalinity (eq/kg) = 7.034e-01 Temperature (°C) = 150.00 Pressure (atm) = 29.60 - Electrical balance (eq) = 5.548e-19 + Electrical balance (eq) = 1.092e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 50 - Gamma iterations = 9 + Iterations = 69 + Gamma iterations = 10 Osmotic coefficient = 0.99999 Density of water = 0.91848 - Total H = 1.087727e+02 - Total O = 5.370580e+01 + Total H = 1.087703e+02 + Total O = 5.370457e+01 ----------------------------Distribution of species---------------------------- @@ -1803,12 +1802,12 @@ H2Sg(g) 1.39 2.432e+01 0.917 0.000e+00 8.319e+00 8.319e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 3.693e-04 3.585e-04 -3.433 -3.445 -0.013 0.00 - OH- 2.233e-08 2.167e-08 -7.651 -7.664 -0.013 (0) + OH- 2.233e-08 2.168e-08 -7.651 -7.664 -0.013 (0) H2O 5.551e+01 9.884e-01 1.744 -0.005 0.000 19.62 -H(0) 1.270e-14 - H2 6.351e-15 6.351e-15 -14.197 -14.197 0.000 (0) -O(0) 1.206e-35 - O2 6.031e-36 6.031e-36 -35.220 -35.220 0.000 (0) +H(0) 1.200e-14 + H2 5.999e-15 5.999e-15 -14.222 -14.222 0.000 (0) +O(0) 1.321e-35 + O2 6.604e-36 6.604e-36 -35.180 -35.180 0.000 (0) Sg 7.034e-01 H2Sg 5.918e-01 5.918e-01 -0.228 -0.228 0.000 49.81 (H2Sg)2 5.565e-02 5.565e-02 -1.255 -1.255 0.000 16.62 @@ -1818,10 +1817,10 @@ Sg 7.034e-01 Phase SI** log IAP log K(423 K, 30 atm) - H2(g) -10.90 17.60 28.50 H2 + H2(g) -10.92 -10.92 0.00 H2 H2O(g) 0.66 -0.01 -0.67 H2O Pressure 5.3 atm, phi 0.868 H2Sg(g) 1.35 -6.89 -8.24 H2Sg Pressure 24.3 atm, phi 0.917 - O2(g) -31.69 -35.22 -3.53 O2 + O2(g) -31.65 -35.18 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1855,7 +1854,7 @@ H2Sg(g) 1.27 1.883e+01 0.938 0.000e+00 8.504e+00 8.504e+00 ----------------------------Description of solution---------------------------- pH = 3.591 Charge balance - pe = 1.721 Adjusted to redox equilibrium + pe = 1.810 Adjusted to redox equilibrium Specific Conductance (µS/cm, 180°C) = 99 Density (g/cm³) = 0.88561 Volume (L) = 1.05039 @@ -1865,14 +1864,14 @@ H2Sg(g) 1.27 1.883e+01 0.938 0.000e+00 8.504e+00 8.504e+00 Total alkalinity (eq/kg) = 5.436e-01 Temperature (°C) = 180.00 Pressure (atm) = 29.60 - Electrical balance (eq) = 5.520e-20 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 89 - Gamma iterations = 14 + Electrical balance (eq) = -3.546e-19 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 75 + Gamma iterations = 9 Osmotic coefficient = 0.99999 Density of water = 0.88839 - Total H = 1.022791e+02 - Total O = 5.064364e+01 + Total H = 1.022766e+02 + Total O = 5.064241e+01 ----------------------------Distribution of species---------------------------- @@ -1880,12 +1879,12 @@ H2Sg(g) 1.27 1.883e+01 0.938 0.000e+00 8.504e+00 8.504e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 2.636e-04 2.564e-04 -3.579 -3.591 -0.012 0.00 - OH- 8.922e-08 8.679e-08 -7.050 -7.062 -0.012 (0) + OH- 8.923e-08 8.680e-08 -7.050 -7.061 -0.012 (0) H2O 5.551e+01 9.908e-01 1.744 -0.004 0.000 20.28 -H(0) 2.218e-14 - H2 1.109e-14 1.109e-14 -13.955 -13.955 0.000 (0) -O(0) 1.268e-31 - O2 6.338e-32 6.338e-32 -31.198 -31.198 0.000 (0) +H(0) 1.469e-14 + H2 7.344e-15 7.344e-15 -14.134 -14.134 0.000 (0) +O(0) 2.823e-31 + O2 1.412e-31 1.412e-31 -30.850 -30.850 0.000 (0) Sg 5.436e-01 H2Sg 4.805e-01 4.805e-01 -0.318 -0.318 0.000 52.82 (H2Sg)2 3.140e-02 3.140e-02 -1.503 -1.503 0.000 6.90 @@ -1895,10 +1894,10 @@ Sg 5.436e-01 Phase SI** log IAP log K(453 K, 30 atm) - H2(g) -10.62 15.60 26.22 H2 + H2(g) -10.80 -10.80 0.00 H2 H2O(g) 0.97 -0.00 -0.98 H2O Pressure 10.8 atm, phi 0.876 H2Sg(g) 1.25 -7.18 -8.43 H2Sg Pressure 18.8 atm, phi 0.938 - O2(g) -27.57 -31.20 -3.63 O2 + O2(g) -27.22 -30.85 -3.63 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1932,24 +1931,24 @@ H2Sg(g) 1.00 9.898e+00 0.966 0.000e+00 8.793e+00 8.793e+00 ----------------------------Description of solution---------------------------- pH = 3.836 Charge balance - pe = 1.519 Adjusted to redox equilibrium + pe = 1.473 Adjusted to redox equilibrium Specific Conductance (µS/cm, 210°C) = 66 Density (g/cm³) = 0.85116 - Volume (L) = 0.81319 + Volume (L) = 0.81318 Activity of water = 0.995 Ionic strength (mol/kgw) = 1.495e-04 Mass of water (kg) = 6.847e-01 Total alkalinity (eq/kg) = 3.025e-01 Temperature (°C) = 210.00 Pressure (atm) = 29.60 - Electrical balance (eq) = 3.735e-14 + Electrical balance (eq) = 1.676e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 96 - Gamma iterations = 13 + Iterations = 166 + Gamma iterations = 26 Osmotic coefficient = 0.99999 Density of water = 0.85380 - Total H = 7.642740e+01 - Total O = 3.800658e+01 + Total H = 7.642490e+01 + Total O = 3.800534e+01 ----------------------------Distribution of species---------------------------- @@ -1959,10 +1958,10 @@ H2Sg(g) 1.00 9.898e+00 0.966 0.000e+00 8.793e+00 8.793e+00 H+ 1.495e-04 1.460e-04 -3.825 -3.836 -0.010 0.00 OH- 3.927e-07 3.837e-07 -6.406 -6.416 -0.010 (0) H2O 5.551e+01 9.947e-01 1.744 -0.002 0.000 21.11 -H(0) 1.698e-14 - H2 8.489e-15 8.489e-15 -14.071 -14.071 0.000 (0) -O(0) 1.917e-27 - O2 9.585e-28 9.585e-28 -27.018 -27.018 0.000 (0) +H(0) 2.095e-14 + H2 1.048e-14 1.048e-14 -13.980 -13.980 0.000 (0) +O(0) 1.230e-27 + O2 6.148e-28 6.148e-28 -27.211 -27.211 0.000 (0) Sg 3.025e-01 H2Sg 2.851e-01 2.851e-01 -0.545 -0.545 0.000 57.12 (H2Sg)2 8.619e-03 8.619e-03 -2.065 -2.065 0.000 -9.28 @@ -1972,10 +1971,10 @@ Sg 3.025e-01 Phase SI** log IAP log K(483 K, 30 atm) - H2(g) -10.71 13.51 24.22 H2 + H2(g) -10.62 -10.62 0.00 H2 H2O(g) 1.24 -0.00 -1.24 H2O Pressure 19.7 atm, phi 0.882 H2Sg(g) 0.98 -7.67 -8.65 H2Sg Pressure 9.9 atm, phi 0.966 - O2(g) -23.30 -27.02 -3.71 O2 + O2(g) -23.50 -27.21 -3.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2032,7 +2031,7 @@ H2Sg(g) 1.69 4.885e+01 0.395 0.000e+00 7.063e+00 7.063e+00 ----------------------------Description of solution---------------------------- pH = 3.330 Charge balance - pe = 2.218 Adjusted to redox equilibrium + pe = 2.231 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 34 Density (g/cm³) = 1.00304 Volume (L) = 1.06551 @@ -2042,14 +2041,14 @@ H2Sg(g) 1.69 4.885e+01 0.395 0.000e+00 7.063e+00 7.063e+00 Total alkalinity (eq/kg) = 1.940e+00 Temperature (°C) = 30.00 Pressure (atm) = 49.30 - Electrical balance (eq) = 3.526e-19 + Electrical balance (eq) = 8.572e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 137 - Gamma iterations = 7 + Iterations = 44 + Gamma iterations = 6 Osmotic coefficient = 1.00000 Density of water = 0.99778 - Total H = 1.147644e+02 - Total O = 5.544480e+01 + Total H = 1.147619e+02 + Total O = 5.544356e+01 ----------------------------Distribution of species---------------------------- @@ -2059,10 +2058,10 @@ H2Sg(g) 1.69 4.885e+01 0.395 0.000e+00 7.063e+00 7.063e+00 H+ 4.795e-04 4.676e-04 -3.319 -3.330 -0.011 0.00 OH- 3.189e-11 3.110e-11 -10.496 -10.507 -0.011 (0) H2O 5.551e+01 9.686e-01 1.744 -0.014 0.000 18.06 -H(0) 1.295e-14 - H2 6.475e-15 6.475e-15 -14.189 -14.189 0.000 (0) +H(0) 1.220e-14 + H2 6.102e-15 6.102e-15 -14.215 -14.215 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.167 -62.167 0.000 (0) + O2 0.000e+00 0.000e+00 -62.126 -62.126 0.000 (0) Sg 1.940e+00 H2Sg 1.606e+00 1.606e+00 0.206 0.206 0.000 36.85 (H2Sg)2 1.664e-01 1.664e-01 -0.779 -0.779 0.000 32.09 @@ -2072,10 +2071,10 @@ Sg 1.940e+00 Phase SI** log IAP log K(303 K, 49 atm) - H2(g) -11.10 31.07 42.17 H2 + H2(g) -11.12 -11.12 0.00 H2 H2O(g) -1.38 -0.01 1.36 H2O Pressure 0.5 atm, phi 0.094 H2Sg(g) 1.28 -6.66 -7.95 H2Sg Pressure 48.8 atm, phi 0.395 - O2(g) -59.23 -62.17 -2.94 O2 + O2(g) -59.19 -62.13 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2109,7 +2108,7 @@ H2Sg(g) 1.69 4.899e+01 0.719 0.000e+00 6.735e+00 6.735e+00 ----------------------------Description of solution---------------------------- pH = 3.194 Charge balance - pe = 2.074 Adjusted to redox equilibrium + pe = 13.449 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 79 Density (g/cm³) = 0.98987 Volume (L) = 1.09207 @@ -2119,14 +2118,14 @@ H2Sg(g) 1.69 4.899e+01 0.719 0.000e+00 6.735e+00 6.735e+00 Total alkalinity (eq/kg) = 2.267e+00 Temperature (°C) = 60.00 Pressure (atm) = 49.30 - Electrical balance (eq) = 2.378e-16 + Electrical balance (eq) = 3.493e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 82 + Iterations = 39 Gamma iterations = 6 Osmotic coefficient = 0.99999 Density of water = 0.98530 - Total H = 1.154659e+02 - Total O = 5.546744e+01 + Total H = 1.154634e+02 + Total O = 5.546621e+01 ----------------------------Distribution of species---------------------------- @@ -2134,14 +2133,14 @@ H2Sg(g) 1.69 4.899e+01 0.719 0.000e+00 6.735e+00 6.735e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 6.599e-04 6.398e-04 -3.181 -3.194 -0.013 0.00 - OH- 1.712e-10 1.659e-10 -9.767 -9.780 -0.013 (0) + OH- 1.712e-10 1.660e-10 -9.767 -9.780 -0.013 (0) H2O 5.551e+01 9.653e-01 1.744 -0.015 0.000 18.28 -H(0) 4.061e-14 - H2 2.031e-14 2.031e-14 -13.692 -13.692 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.614 -54.614 0.000 (0) +H(0) 7.220e-37 + H2 3.610e-37 3.610e-37 -36.442 -36.442 0.000 (0) +O(0) 1.503e-09 + O2 7.516e-10 7.516e-10 -9.124 -9.124 0.000 (0) Sg 2.267e+00 - H2Sg 1.651e+00 1.651e+00 0.218 0.218 -0.000 41.57 + H2Sg 1.651e+00 1.651e+00 0.218 0.218 0.000 41.57 (H2Sg)2 3.079e-01 3.079e-01 -0.512 -0.512 0.000 30.36 HSg- 6.599e-04 6.398e-04 -3.181 -3.194 -0.013 21.09 @@ -2149,10 +2148,10 @@ Sg 2.267e+00 Phase SI** log IAP log K(333 K, 49 atm) - H2(g) -10.54 27.29 37.83 H2 + H2(g) -33.29 -33.29 0.00 H2 H2O(g) -0.71 -0.02 0.69 H2O Pressure 0.3 atm, phi 0.631 H2Sg(g) 1.55 -6.39 -7.93 H2Sg Pressure 49.0 atm, phi 0.719 - O2(g) -51.49 -54.61 -3.12 O2 + O2(g) -6.00 -9.12 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2186,7 +2185,7 @@ H2Sg(g) 1.68 4.834e+01 0.782 0.000e+00 7.273e+00 7.273e+00 ----------------------------Description of solution---------------------------- pH = 3.205 Charge balance - pe = 2.355 Adjusted to redox equilibrium + pe = 2.293 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 115 Density (g/cm³) = 0.96947 Volume (L) = 1.09308 @@ -2196,14 +2195,14 @@ H2Sg(g) 1.68 4.834e+01 0.782 0.000e+00 7.273e+00 7.273e+00 Total alkalinity (eq/kg) = 1.731e+00 Temperature (°C) = 90.00 Pressure (atm) = 49.30 - Electrical balance (eq) = 1.804e-14 + Electrical balance (eq) = 2.386e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 45 - Gamma iterations = 5 + Iterations = 46 + Gamma iterations = 6 Osmotic coefficient = 0.99999 Density of water = 0.96756 - Total H = 1.141830e+02 - Total O = 5.536473e+01 + Total H = 1.141805e+02 + Total O = 5.536350e+01 ----------------------------Distribution of species---------------------------- @@ -2211,14 +2210,14 @@ H2Sg(g) 1.68 4.834e+01 0.782 0.000e+00 7.273e+00 7.273e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 6.446e-04 6.238e-04 -3.191 -3.205 -0.014 0.00 - OH- 9.351e-10 9.049e-10 -9.029 -9.043 -0.014 (0) + OH- 9.352e-10 9.049e-10 -9.029 -9.043 -0.014 (0) H2O 5.551e+01 9.735e-01 1.744 -0.012 0.000 18.62 -H(0) 9.301e-15 - H2 4.650e-15 4.650e-15 -14.333 -14.333 0.000 (0) +H(0) 1.242e-14 + H2 6.211e-15 6.211e-15 -14.207 -14.207 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.190 -46.190 0.000 (0) + O2 0.000e+00 0.000e+00 -46.451 -46.451 0.000 (0) Sg 1.731e+00 - H2Sg 1.251e+00 1.251e+00 0.097 0.097 -0.000 44.58 + H2Sg 1.251e+00 1.251e+00 0.097 0.097 0.000 44.58 (H2Sg)2 2.401e-01 2.401e-01 -0.620 -0.620 0.000 27.73 HSg- 6.446e-04 6.238e-04 -3.191 -3.205 -0.014 20.32 @@ -2226,10 +2225,10 @@ Sg 1.731e+00 Phase SI** log IAP log K(363 K, 49 atm) - H2(g) -11.12 23.08 34.20 H2 + H2(g) -11.00 -11.00 0.00 H2 H2O(g) -0.16 -0.01 0.15 H2O Pressure 1.0 atm, phi 0.713 H2Sg(g) 1.58 -6.41 -7.99 H2Sg Pressure 48.3 atm, phi 0.782 - O2(g) -42.91 -46.19 -3.28 O2 + O2(g) -43.17 -46.45 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2263,7 +2262,7 @@ H2Sg(g) 1.67 4.676e+01 0.827 0.000e+00 7.556e+00 7.556e+00 ----------------------------Description of solution---------------------------- pH = 3.253 Charge balance - pe = 2.259 Adjusted to redox equilibrium + pe = 2.210 Adjusted to redox equilibrium Specific Conductance (µS/cm, 120°C) = 139 Density (g/cm³) = 0.94625 Volume (L) = 1.10406 @@ -2273,14 +2272,14 @@ H2Sg(g) 1.67 4.676e+01 0.827 0.000e+00 7.556e+00 7.556e+00 Total alkalinity (eq/kg) = 1.455e+00 Temperature (°C) = 120.00 Pressure (atm) = 49.30 - Electrical balance (eq) = -1.492e-19 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 75 - Gamma iterations = 15 + Electrical balance (eq) = 1.015e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 45 + Gamma iterations = 7 Osmotic coefficient = 0.99999 Density of water = 0.94554 - Total H = 1.130860e+02 - Total O = 5.509915e+01 + Total H = 1.130835e+02 + Total O = 5.509792e+01 ----------------------------Distribution of species---------------------------- @@ -2290,10 +2289,10 @@ H2Sg(g) 1.67 4.676e+01 0.827 0.000e+00 7.556e+00 7.556e+00 H+ 5.781e-04 5.589e-04 -3.238 -3.253 -0.015 0.00 OH- 4.292e-09 4.150e-09 -8.367 -8.382 -0.015 (0) H2O 5.551e+01 9.776e-01 1.744 -0.010 0.000 19.05 -H(0) 1.049e-14 - H2 5.246e-15 5.246e-15 -14.280 -14.280 0.000 (0) +H(0) 1.315e-14 + H2 6.575e-15 6.575e-15 -14.182 -14.182 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -40.244 -40.244 0.000 (0) + O2 0.000e+00 0.000e+00 -40.450 -40.450 0.000 (0) Sg 1.455e+00 H2Sg 1.064e+00 1.064e+00 0.027 0.027 -0.000 47.02 (H2Sg)2 1.949e-01 1.949e-01 -0.710 -0.710 0.000 23.76 @@ -2303,10 +2302,10 @@ Sg 1.455e+00 Phase SI** log IAP log K(393 K, 49 atm) - H2(g) -11.02 20.11 31.13 H2 + H2(g) -10.92 -10.92 0.00 H2 H2O(g) 0.29 -0.01 -0.30 H2O Pressure 2.5 atm, phi 0.763 H2Sg(g) 1.59 -6.51 -8.09 H2Sg Pressure 46.8 atm, phi 0.827 - O2(g) -36.83 -40.24 -3.41 O2 + O2(g) -37.04 -40.45 -3.41 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2340,7 +2339,7 @@ H2Sg(g) 1.64 4.352e+01 0.862 0.000e+00 7.743e+00 7.743e+00 ----------------------------Description of solution---------------------------- pH = 3.334 Charge balance - pe = 2.122 Adjusted to redox equilibrium + pe = 1.872 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 147 Density (g/cm³) = 0.91924 Volume (L) = 1.11705 @@ -2350,14 +2349,14 @@ H2Sg(g) 1.64 4.352e+01 0.862 0.000e+00 7.743e+00 7.743e+00 Total alkalinity (eq/kg) = 1.280e+00 Temperature (°C) = 150.00 Pressure (atm) = 49.30 - Electrical balance (eq) = 2.289e-19 + Electrical balance (eq) = 1.327e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 45 - Gamma iterations = 5 + Gamma iterations = 6 Osmotic coefficient = 0.99999 Density of water = 0.91960 - Total H = 1.114769e+02 - Total O = 5.448169e+01 + Total H = 1.114744e+02 + Total O = 5.448046e+01 ----------------------------Distribution of species---------------------------- @@ -2367,12 +2366,12 @@ H2Sg(g) 1.64 4.352e+01 0.862 0.000e+00 7.743e+00 7.743e+00 H+ 4.788e-04 4.630e-04 -3.320 -3.334 -0.015 0.00 OH- 1.740e-08 1.683e-08 -7.759 -7.774 -0.015 (0) H2O 5.551e+01 9.799e-01 1.744 -0.009 0.000 19.59 -H(0) 1.233e-14 - H2 6.165e-15 6.165e-15 -14.210 -14.210 0.000 (0) -O(0) 1.287e-35 - O2 6.434e-36 6.434e-36 -35.192 -35.192 0.000 (0) +H(0) 3.898e-14 + H2 1.949e-14 1.949e-14 -13.710 -13.710 0.000 (0) +O(0) 1.258e-36 + O2 6.288e-37 6.288e-37 -36.202 -36.202 0.000 (0) Sg 1.280e+00 - H2Sg 9.683e-01 9.683e-01 -0.014 -0.014 -0.000 49.47 + H2Sg 9.683e-01 9.683e-01 -0.014 -0.014 0.000 49.47 (H2Sg)2 1.558e-01 1.558e-01 -0.807 -0.807 0.000 17.71 HSg- 4.788e-04 4.630e-04 -3.320 -3.334 -0.015 15.50 @@ -2380,10 +2379,10 @@ Sg 1.280e+00 Phase SI** log IAP log K(423 K, 49 atm) - H2(g) -10.91 17.59 28.50 H2 + H2(g) -10.41 -10.41 0.00 H2 H2O(g) 0.66 -0.01 -0.67 H2O Pressure 5.8 atm, phi 0.794 H2Sg(g) 1.57 -6.67 -8.24 H2Sg Pressure 43.5 atm, phi 0.862 - O2(g) -31.66 -35.19 -3.53 O2 + O2(g) -32.67 -36.20 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2417,7 +2416,7 @@ H2Sg(g) 1.58 3.767e+01 0.892 0.000e+00 7.934e+00 7.934e+00 ----------------------------Description of solution---------------------------- pH = 3.453 Charge balance - pe = 2.008 Adjusted to redox equilibrium + pe = 2.054 Adjusted to redox equilibrium Specific Conductance (µS/cm, 180°C) = 136 Density (g/cm³) = 0.88789 Volume (L) = 1.11991 @@ -2427,14 +2426,14 @@ H2Sg(g) 1.58 3.767e+01 0.892 0.000e+00 7.934e+00 7.934e+00 Total alkalinity (eq/kg) = 1.116e+00 Temperature (°C) = 180.00 Pressure (atm) = 49.30 - Electrical balance (eq) = 1.717e-19 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 83 - Gamma iterations = 19 + Electrical balance (eq) = -5.410e-19 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 45 + Gamma iterations = 5 Osmotic coefficient = 0.99999 Density of water = 0.88969 - Total H = 1.082529e+02 - Total O = 5.306005e+01 + Total H = 1.082504e+02 + Total O = 5.305882e+01 ----------------------------Distribution of species---------------------------- @@ -2442,14 +2441,14 @@ H2Sg(g) 1.58 3.767e+01 0.892 0.000e+00 7.934e+00 7.934e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 3.642e-04 3.526e-04 -3.439 -3.453 -0.014 0.00 - OH- 6.530e-08 6.323e-08 -7.185 -7.199 -0.014 (0) + OH- 6.531e-08 6.323e-08 -7.185 -7.199 -0.014 (0) H2O 5.551e+01 9.821e-01 1.744 -0.008 0.000 20.25 -H(0) 1.118e-14 - H2 5.590e-15 5.590e-15 -14.253 -14.253 0.000 (0) -O(0) 5.005e-31 - O2 2.503e-31 2.503e-31 -30.602 -30.602 0.000 (0) +H(0) 9.020e-15 + H2 4.510e-15 4.510e-15 -14.346 -14.346 0.000 (0) +O(0) 7.514e-31 + O2 3.757e-31 3.757e-31 -30.425 -30.425 0.000 (0) Sg 1.116e+00 - H2Sg 8.892e-01 8.892e-01 -0.051 -0.051 -0.000 52.43 + H2Sg 8.892e-01 8.892e-01 -0.051 -0.051 0.000 52.43 (H2Sg)2 1.130e-01 1.130e-01 -0.947 -0.947 0.000 8.17 HSg- 3.641e-04 3.526e-04 -3.439 -3.453 -0.014 10.42 @@ -2457,10 +2456,10 @@ Sg 1.116e+00 Phase SI** log IAP log K(453 K, 49 atm) - H2(g) -10.92 15.29 26.21 H2 + H2(g) -11.01 -11.01 0.00 H2 H2O(g) 0.98 -0.01 -0.98 H2O Pressure 11.6 atm, phi 0.813 H2Sg(g) 1.53 -6.91 -8.43 H2Sg Pressure 37.7 atm, phi 0.892 - O2(g) -26.97 -30.60 -3.63 O2 + O2(g) -26.80 -30.43 -3.63 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2494,24 +2493,24 @@ H2Sg(g) 1.45 2.818e+01 0.923 0.000e+00 8.216e+00 8.216e+00 ----------------------------Description of solution---------------------------- pH = 3.619 Charge balance - pe = 1.865 Adjusted to redox equilibrium + pe = 1.725 Adjusted to redox equilibrium Specific Conductance (µS/cm, 210°C) = 108 Density (g/cm³) = 0.85170 - Volume (L) = 1.07714 + Volume (L) = 1.07713 Activity of water = 0.985 Ionic strength (mol/kgw) = 2.477e-04 Mass of water (kg) = 8.891e-01 Total alkalinity (eq/kg) = 8.823e-01 Temperature (°C) = 210.00 Pressure (atm) = 49.30 - Electrical balance (eq) = 5.694e-15 + Electrical balance (eq) = 7.448e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 92 - Gamma iterations = 10 + Iterations = 79 + Gamma iterations = 13 Osmotic coefficient = 0.99999 Density of water = 0.85538 - Total H = 1.002742e+02 - Total O = 4.935269e+01 + Total H = 1.002717e+02 + Total O = 4.935146e+01 ----------------------------Distribution of species---------------------------- @@ -2521,10 +2520,10 @@ H2Sg(g) 1.45 2.818e+01 0.923 0.000e+00 8.216e+00 8.216e+00 H+ 2.477e-04 2.405e-04 -3.606 -3.619 -0.013 0.00 OH- 2.402e-07 2.332e-07 -6.619 -6.632 -0.013 (0) H2O 5.551e+01 9.854e-01 1.744 -0.006 0.000 21.07 -H(0) 9.363e-15 - H2 4.682e-15 4.682e-15 -14.330 -14.330 0.000 (0) -O(0) 6.315e-27 - O2 3.157e-27 3.157e-27 -26.501 -26.501 0.000 (0) +H(0) 1.785e-14 + H2 8.923e-15 8.923e-15 -14.049 -14.049 0.000 (0) +O(0) 1.698e-27 + O2 8.492e-28 8.492e-28 -27.071 -27.071 0.000 (0) Sg 8.823e-01 H2Sg 7.542e-01 7.542e-01 -0.123 -0.123 0.000 56.63 (H2Sg)2 6.392e-02 6.392e-02 -1.194 -1.194 0.000 -7.62 @@ -2534,10 +2533,10 @@ Sg 8.823e-01 Phase SI** log IAP log K(483 K, 49 atm) - H2(g) -10.97 13.24 24.21 H2 + H2(g) -10.69 -10.69 0.00 H2 H2O(g) 1.24 -0.01 -1.25 H2O Pressure 21.1 atm, phi 0.824 H2Sg(g) 1.42 -7.24 -8.65 H2Sg Pressure 28.2 atm, phi 0.923 - O2(g) -22.79 -26.50 -3.71 O2 + O2(g) -23.36 -27.07 -3.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2571,24 +2570,24 @@ H2Sg(g) 1.16 1.429e+01 0.964 0.000e+00 8.695e+00 8.695e+00 ----------------------------Description of solution---------------------------- pH = 3.880 Charge balance - pe = 1.378 Adjusted to redox equilibrium + pe = 1.379 Adjusted to redox equilibrium Specific Conductance (µS/cm, 240°C) = 68 Density (g/cm³) = 0.81085 - Volume (L) = 0.77365 + Volume (L) = 0.77364 Activity of water = 0.991 Ionic strength (mol/kgw) = 1.351e-04 Mass of water (kg) = 6.163e-01 Total alkalinity (eq/kg) = 4.944e-01 Temperature (°C) = 240.00 Pressure (atm) = 49.30 - Electrical balance (eq) = 8.153e-20 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 143 - Gamma iterations = 22 + Electrical balance (eq) = -2.569e-19 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 119 + Gamma iterations = 19 Osmotic coefficient = 1.00000 Density of water = 0.81558 - Total H = 6.903237e+01 - Total O = 3.421147e+01 + Total H = 6.902987e+01 + Total O = 3.421023e+01 ----------------------------Distribution of species---------------------------- @@ -2598,10 +2597,10 @@ H2Sg(g) 1.16 1.429e+01 0.964 0.000e+00 8.695e+00 8.695e+00 H+ 1.351e-04 1.318e-04 -3.869 -3.880 -0.011 0.00 OH- 9.883e-07 9.642e-07 -6.005 -6.016 -0.011 (0) H2O 5.551e+01 9.914e-01 1.744 -0.004 0.000 22.10 -H(0) 2.491e-14 - H2 1.245e-14 1.245e-14 -13.905 -13.905 0.000 (0) -O(0) 2.748e-24 - O2 1.374e-24 1.374e-24 -23.862 -23.862 0.000 (0) +H(0) 2.484e-14 + H2 1.242e-14 1.242e-14 -13.906 -13.906 0.000 (0) +O(0) 2.699e-24 + O2 1.350e-24 1.350e-24 -23.870 -23.870 0.000 (0) Sg 4.944e-01 H2Sg 4.593e-01 4.593e-01 -0.338 -0.338 0.000 63.55 (H2Sg)2 1.750e-02 1.750e-02 -1.757 -1.757 0.000 -35.84 @@ -2611,10 +2610,10 @@ Sg 4.944e-01 Phase SI** log IAP log K(513 K, 49 atm) - H2(g) -10.52 11.93 22.44 H2 + H2(g) -10.52 -10.52 0.00 H2 H2O(g) 1.47 -0.00 -1.47 H2O Pressure 35.0 atm, phi 0.834 H2Sg(g) 1.14 -7.76 -8.90 H2Sg Pressure 14.3 atm, phi 0.964 - O2(g) -20.07 -23.86 -3.79 O2 + O2(g) -20.08 -23.87 -3.79 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2671,7 +2670,7 @@ H2Sg(g) 1.99 9.779e+01 0.214 0.000e+00 7.014e+00 7.014e+00 ----------------------------Description of solution---------------------------- pH = 3.321 Charge balance - pe = 2.114 Adjusted to redox equilibrium + pe = 2.303 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 34 Density (g/cm³) = 1.00617 Volume (L) = 1.06395 @@ -2681,14 +2680,14 @@ H2Sg(g) 1.99 9.779e+01 0.214 0.000e+00 7.014e+00 7.014e+00 Total alkalinity (eq/kg) = 1.988e+00 Temperature (°C) = 30.00 Pressure (atm) = 98.70 - Electrical balance (eq) = 1.404e-16 + Electrical balance (eq) = 1.779e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 52 - Gamma iterations = 5 + Iterations = 53 + Gamma iterations = 6 Osmotic coefficient = 1.00000 Density of water = 0.99996 - Total H = 1.148618e+02 - Total O = 5.544478e+01 + Total H = 1.148593e+02 + Total O = 5.544355e+01 ----------------------------Distribution of species---------------------------- @@ -2698,10 +2697,10 @@ H2Sg(g) 1.99 9.779e+01 0.214 0.000e+00 7.014e+00 7.014e+00 H+ 4.893e-04 4.771e-04 -3.310 -3.321 -0.011 0.00 OH- 3.237e-11 3.157e-11 -10.490 -10.501 -0.011 (0) H2O 5.551e+01 9.680e-01 1.744 -0.014 0.000 18.02 -H(0) 2.174e-14 - H2 1.087e-14 1.087e-14 -13.964 -13.964 0.000 (0) +H(0) 9.130e-15 + H2 4.565e-15 4.565e-15 -14.341 -14.341 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.587 -62.587 0.000 (0) + O2 0.000e+00 0.000e+00 -61.843 -61.843 0.000 (0) Sg 1.988e+00 H2Sg 1.624e+00 1.624e+00 0.210 0.210 0.000 36.28 (H2Sg)2 1.822e-01 1.822e-01 -0.739 -0.739 0.000 34.28 @@ -2711,10 +2710,10 @@ Sg 1.988e+00 Phase SI** log IAP log K(303 K, 99 atm) - H2(g) -10.87 31.28 42.15 H2 + H2(g) -11.25 -11.25 0.00 H2 H2O(g) -1.36 -0.01 1.35 H2O Pressure 0.9 atm, phi 0.048 H2Sg(g) 1.32 -6.64 -7.96 H2Sg Pressure 97.8 atm, phi 0.214 - O2(g) -59.65 -62.59 -2.94 O2 + O2(g) -58.91 -61.84 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2748,7 +2747,7 @@ H2Sg(g) 1.99 9.692e+01 0.362 0.000e+00 6.901e+00 6.901e+00 ----------------------------Description of solution---------------------------- pH = 3.203 Charge balance - pe = 2.292 Adjusted to redox equilibrium + pe = 2.310 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 78 Density (g/cm³) = 0.99196 Volume (L) = 1.08217 @@ -2758,14 +2757,14 @@ H2Sg(g) 1.99 9.692e+01 0.362 0.000e+00 6.901e+00 6.901e+00 Total alkalinity (eq/kg) = 2.104e+00 Temperature (°C) = 60.00 Pressure (atm) = 98.70 - Electrical balance (eq) = 5.827e-16 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 63 - Gamma iterations = 5 + Electrical balance (eq) = -5.346e-19 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 47 + Gamma iterations = 8 Osmotic coefficient = 0.99999 Density of water = 0.98744 - Total H = 1.149640e+02 - Total O = 5.538324e+01 + Total H = 1.149616e+02 + Total O = 5.538201e+01 ----------------------------Distribution of species---------------------------- @@ -2775,10 +2774,10 @@ H2Sg(g) 1.99 9.692e+01 0.362 0.000e+00 6.901e+00 6.901e+00 H+ 6.459e-04 6.265e-04 -3.190 -3.203 -0.013 0.00 OH- 1.810e-10 1.756e-10 -9.742 -9.756 -0.013 (0) H2O 5.551e+01 9.678e-01 1.744 -0.014 0.000 18.25 -H(0) 1.423e-14 - H2 7.117e-15 7.117e-15 -14.148 -14.148 0.000 (0) +H(0) 1.308e-14 + H2 6.540e-15 6.540e-15 -14.184 -14.184 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.673 -53.673 0.000 (0) + O2 0.000e+00 0.000e+00 -53.609 -53.609 0.000 (0) Sg 2.104e+00 H2Sg 1.529e+00 1.529e+00 0.184 0.184 0.000 40.92 (H2Sg)2 2.870e-01 2.870e-01 -0.542 -0.542 0.000 32.59 @@ -2788,10 +2787,10 @@ Sg 2.104e+00 Phase SI** log IAP log K(333 K, 99 atm) - H2(g) -10.99 26.82 37.81 H2 + H2(g) -11.03 -11.03 0.00 H2 H2O(g) -0.69 -0.01 0.68 H2O Pressure 1.8 atm, phi 0.114 H2Sg(g) 1.55 -6.41 -7.95 H2Sg Pressure 96.9 atm, phi 0.362 - O2(g) -50.55 -53.67 -3.12 O2 + O2(g) -50.49 -53.61 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2825,7 +2824,7 @@ H2Sg(g) 1.98 9.567e+01 0.535 0.000e+00 6.598e+00 6.598e+00 ----------------------------Description of solution---------------------------- pH = 3.146 Charge balance - pe = 2.323 Adjusted to redox equilibrium + pe = 2.381 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 131 Density (g/cm³) = 0.97685 Volume (L) = 1.10862 @@ -2835,14 +2834,14 @@ H2Sg(g) 1.98 9.567e+01 0.535 0.000e+00 6.598e+00 6.598e+00 Total alkalinity (eq/kg) = 2.412e+00 Temperature (°C) = 90.00 Pressure (atm) = 98.70 - Electrical balance (eq) = 2.964e-19 + Electrical balance (eq) = 8.245e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 57 + Iterations = 53 Gamma iterations = 6 Osmotic coefficient = 0.99999 Density of water = 0.96982 - Total H = 1.154071e+02 - Total O = 5.530106e+01 + Total H = 1.154046e+02 + Total O = 5.529983e+01 ----------------------------Distribution of species---------------------------- @@ -2852,12 +2851,12 @@ H2Sg(g) 1.98 9.567e+01 0.535 0.000e+00 6.598e+00 6.598e+00 H+ 7.391e-04 7.137e-04 -3.131 -3.146 -0.015 0.00 OH- 8.370e-10 8.082e-10 -9.077 -9.092 -0.015 (0) H2O 5.551e+01 9.647e-01 1.744 -0.016 0.000 18.58 -H(0) 1.411e-14 - H2 7.057e-15 7.057e-15 -14.151 -14.151 0.000 (0) +H(0) 1.082e-14 + H2 5.412e-15 5.412e-15 -14.267 -14.267 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.533 -46.533 0.000 (0) + O2 0.000e+00 0.000e+00 -46.313 -46.313 0.000 (0) Sg 2.412e+00 - H2Sg 1.576e+00 1.576e+00 0.198 0.198 -0.000 43.87 + H2Sg 1.576e+00 1.576e+00 0.198 0.198 0.000 43.87 (H2Sg)2 4.172e-01 4.172e-01 -0.380 -0.380 0.000 30.02 HSg- 7.391e-04 7.137e-04 -3.131 -3.146 -0.015 20.34 @@ -2865,10 +2864,10 @@ Sg 2.412e+00 Phase SI** log IAP log K(363 K, 99 atm) - H2(g) -10.94 23.25 34.19 H2 + H2(g) -11.05 -11.05 0.00 H2 H2O(g) -0.15 -0.02 0.14 H2O Pressure 3.0 atm, phi 0.232 H2Sg(g) 1.71 -6.29 -8.00 H2Sg Pressure 95.7 atm, phi 0.535 - O2(g) -43.25 -46.53 -3.28 O2 + O2(g) -43.03 -46.31 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2902,7 +2901,7 @@ H2Sg(g) 1.98 9.491e+01 0.667 0.000e+00 6.388e+00 6.388e+00 ----------------------------Description of solution---------------------------- pH = 3.152 Charge balance - pe = 2.279 Adjusted to redox equilibrium + pe = 2.262 Adjusted to redox equilibrium Specific Conductance (µS/cm, 120°C) = 175 Density (g/cm³) = 0.95772 Volume (L) = 1.13780 @@ -2912,14 +2911,14 @@ H2Sg(g) 1.98 9.491e+01 0.667 0.000e+00 6.388e+00 6.388e+00 Total alkalinity (eq/kg) = 2.624e+00 Temperature (°C) = 120.00 Pressure (atm) = 98.70 - Electrical balance (eq) = 1.941e-15 + Electrical balance (eq) = 1.890e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 43 - Gamma iterations = 7 + Iterations = 46 + Gamma iterations = 16 Osmotic coefficient = 0.99999 Density of water = 0.94802 - Total H = 1.157341e+02 - Total O = 5.525512e+01 + Total H = 1.157316e+02 + Total O = 5.525389e+01 ----------------------------Distribution of species---------------------------- @@ -2929,10 +2928,10 @@ H2Sg(g) 1.98 9.491e+01 0.667 0.000e+00 6.388e+00 6.388e+00 H+ 7.318e-04 7.048e-04 -3.136 -3.152 -0.016 0.00 OH- 3.463e-09 3.335e-09 -8.461 -8.477 -0.016 (0) H2O 5.551e+01 9.624e-01 1.744 -0.017 0.000 19.00 -H(0) 1.518e-14 - H2 7.592e-15 7.592e-15 -14.120 -14.120 0.000 (0) +H(0) 1.643e-14 + H2 8.217e-15 8.217e-15 -14.085 -14.085 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -40.553 -40.553 0.000 (0) + O2 0.000e+00 0.000e+00 -40.632 -40.632 0.000 (0) Sg 2.624e+00 H2Sg 1.624e+00 1.624e+00 0.211 0.211 0.000 46.25 (H2Sg)2 4.995e-01 4.995e-01 -0.301 -0.301 0.000 26.18 @@ -2942,10 +2941,10 @@ Sg 2.624e+00 Phase SI** log IAP log K(393 K, 99 atm) - H2(g) -10.86 20.26 31.12 H2 + H2(g) -10.83 -10.83 0.00 H2 H2O(g) 0.29 -0.02 -0.31 H2O Pressure 3.8 atm, phi 0.519 H2Sg(g) 1.80 -6.30 -8.11 H2Sg Pressure 94.9 atm, phi 0.667 - O2(g) -37.14 -40.55 -3.41 O2 + O2(g) -37.22 -40.63 -3.41 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2979,24 +2978,24 @@ H2Sg(g) 1.96 9.112e+01 0.736 0.000e+00 6.443e+00 6.443e+00 ----------------------------Description of solution---------------------------- pH = 3.213 Charge balance - pe = 2.115 Adjusted to redox equilibrium + pe = 2.142 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 193 Density (g/cm³) = 0.93225 Volume (L) = 1.16133 Activity of water = 0.963 Ionic strength (mol/kgw) = 6.360e-04 - Mass of water (kg) = 9.904e-01 + Mass of water (kg) = 9.903e-01 Total alkalinity (eq/kg) = 2.582e+00 Temperature (°C) = 150.00 Pressure (atm) = 98.70 - Electrical balance (eq) = 7.591e-14 + Electrical balance (eq) = 1.989e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 63 - Gamma iterations = 11 + Iterations = 43 + Gamma iterations = 7 Osmotic coefficient = 0.99999 Density of water = 0.92238 - Total H = 1.150628e+02 - Total O = 5.497425e+01 + Total H = 1.150603e+02 + Total O = 5.497302e+01 ----------------------------Distribution of species---------------------------- @@ -3006,10 +3005,10 @@ H2Sg(g) 1.96 9.112e+01 0.736 0.000e+00 6.443e+00 6.443e+00 H+ 6.360e-04 6.121e-04 -3.197 -3.213 -0.017 0.00 OH- 1.336e-08 1.286e-08 -7.874 -7.891 -0.017 (0) H2O 5.551e+01 9.629e-01 1.744 -0.016 0.000 19.53 -H(0) 2.226e-14 - H2 1.113e-14 1.113e-14 -13.953 -13.953 0.000 (0) -O(0) 4.028e-36 - O2 2.014e-36 2.014e-36 -35.696 -35.696 0.000 (0) +H(0) 1.969e-14 + H2 9.844e-15 9.844e-15 -14.007 -14.007 0.000 (0) +O(0) 5.031e-36 + O2 2.515e-36 2.515e-36 -35.599 -35.599 0.000 (0) Sg 2.582e+00 H2Sg 1.617e+00 1.617e+00 0.209 0.209 0.000 48.62 (H2Sg)2 4.820e-01 4.820e-01 -0.317 -0.317 0.000 20.35 @@ -3019,10 +3018,10 @@ Sg 2.582e+00 Phase SI** log IAP log K(423 K, 99 atm) - H2(g) -10.66 17.83 28.49 H2 + H2(g) -10.71 -10.71 0.00 H2 H2O(g) 0.67 -0.02 -0.68 H2O Pressure 7.6 atm, phi 0.612 H2Sg(g) 1.83 -6.43 -8.25 H2Sg Pressure 91.1 atm, phi 0.736 - O2(g) -32.17 -35.70 -3.53 O2 + O2(g) -32.07 -35.60 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3056,7 +3055,7 @@ H2Sg(g) 1.93 8.434e+01 0.789 0.000e+00 6.532e+00 6.532e+00 ----------------------------Description of solution---------------------------- pH = 3.308 Charge balance - pe = 1.998 Adjusted to redox equilibrium + pe = 2.020 Adjusted to redox equilibrium Specific Conductance (µS/cm, 180°C) = 188 Density (g/cm³) = 0.90178 Volume (L) = 1.18545 @@ -3066,14 +3065,14 @@ H2Sg(g) 1.93 8.434e+01 0.789 0.000e+00 6.532e+00 6.532e+00 Total alkalinity (eq/kg) = 2.518e+00 Temperature (°C) = 180.00 Pressure (atm) = 98.70 - Electrical balance (eq) = 3.364e-19 + Electrical balance (eq) = 3.890e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 50 Gamma iterations = 7 Osmotic coefficient = 0.99999 Density of water = 0.89290 - Total H = 1.137296e+02 - Total O = 5.439723e+01 + Total H = 1.137271e+02 + Total O = 5.439600e+01 ----------------------------Distribution of species---------------------------- @@ -3083,10 +3082,10 @@ H2Sg(g) 1.93 8.434e+01 0.789 0.000e+00 6.532e+00 6.532e+00 H+ 5.115e-04 4.926e-04 -3.291 -3.308 -0.016 0.00 OH- 4.735e-08 4.560e-08 -7.325 -7.341 -0.016 (0) H2O 5.551e+01 9.632e-01 1.744 -0.016 0.000 20.18 -H(0) 2.277e-14 - H2 1.138e-14 1.138e-14 -13.944 -13.944 0.000 (0) -O(0) 1.225e-31 - O2 6.123e-32 6.123e-32 -31.213 -31.213 0.000 (0) +H(0) 2.057e-14 + H2 1.029e-14 1.029e-14 -13.988 -13.988 0.000 (0) +O(0) 1.465e-31 + O2 7.326e-32 7.326e-32 -31.135 -31.135 0.000 (0) Sg 2.518e+00 H2Sg 1.647e+00 1.647e+00 0.217 0.217 0.000 51.47 (H2Sg)2 4.351e-01 4.351e-01 -0.361 -0.361 0.000 11.25 @@ -3096,10 +3095,10 @@ Sg 2.518e+00 Phase SI** log IAP log K(453 K, 99 atm) - H2(g) -10.61 15.59 26.20 H2 + H2(g) -10.66 -10.66 0.00 H2 H2O(g) 0.98 -0.02 -0.99 H2O Pressure 14.4 atm, phi 0.663 H2Sg(g) 1.82 -6.62 -8.44 H2Sg Pressure 84.3 atm, phi 0.789 - O2(g) -27.59 -31.21 -3.63 O2 + O2(g) -27.51 -31.14 -3.63 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3133,7 +3132,7 @@ H2Sg(g) 1.87 7.353e+01 0.836 0.000e+00 6.720e+00 6.720e+00 ----------------------------Description of solution---------------------------- pH = 3.433 Charge balance - pe = 2.018 Adjusted to redox equilibrium + pe = 1.980 Adjusted to redox equilibrium Specific Conductance (µS/cm, 210°C) = 165 Density (g/cm³) = 0.86523 Volume (L) = 1.20301 @@ -3143,14 +3142,14 @@ H2Sg(g) 1.87 7.353e+01 0.836 0.000e+00 6.720e+00 6.720e+00 Total alkalinity (eq/kg) = 2.379e+00 Temperature (°C) = 210.00 Pressure (atm) = 98.70 - Electrical balance (eq) = 8.372e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 49 - Gamma iterations = 9 + Electrical balance (eq) = -4.876e-19 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 95 + Gamma iterations = 15 Osmotic coefficient = 1.00000 Density of water = 0.85927 - Total H = 1.109810e+02 - Total O = 5.321028e+01 + Total H = 1.109785e+02 + Total O = 5.320904e+01 ----------------------------Distribution of species---------------------------- @@ -3160,12 +3159,12 @@ H2Sg(g) 1.87 7.353e+01 0.836 0.000e+00 6.720e+00 6.720e+00 H+ 3.823e-04 3.687e-04 -3.418 -3.433 -0.016 0.00 OH- 1.584e-07 1.528e-07 -6.800 -6.816 -0.016 (0) H2O 5.551e+01 9.642e-01 1.744 -0.016 0.000 20.97 -H(0) 1.089e-14 - H2 5.444e-15 5.444e-15 -14.264 -14.264 0.000 (0) -O(0) 4.711e-27 - O2 2.356e-27 2.356e-27 -26.628 -26.628 0.000 (0) +H(0) 1.293e-14 + H2 6.466e-15 6.466e-15 -14.189 -14.189 0.000 (0) +O(0) 3.263e-27 + O2 1.632e-27 1.632e-27 -26.787 -26.787 0.000 (0) Sg 2.379e+00 - H2Sg 1.665e+00 1.665e+00 0.221 0.221 0.000 55.45 + H2Sg 1.665e+00 1.665e+00 0.221 0.221 -0.000 55.45 (H2Sg)2 3.566e-01 3.566e-01 -0.448 -0.448 0.000 -3.62 HSg- 3.822e-04 3.685e-04 -3.418 -3.434 -0.016 2.77 @@ -3173,10 +3172,10 @@ Sg 2.379e+00 Phase SI** log IAP log K(483 K, 99 atm) - H2(g) -10.90 13.30 24.20 H2 + H2(g) -10.83 -10.83 0.00 H2 H2O(g) 1.24 -0.02 -1.26 H2O Pressure 25.2 atm, phi 0.694 H2Sg(g) 1.79 -6.87 -8.66 H2Sg Pressure 73.5 atm, phi 0.836 - O2(g) -22.91 -26.63 -3.71 O2 + O2(g) -23.07 -26.79 -3.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3210,7 +3209,7 @@ H2Sg(g) 1.76 5.780e+01 0.883 0.000e+00 7.109e+00 7.109e+00 ----------------------------Description of solution---------------------------- pH = 3.594 Charge balance - pe = 1.684 Adjusted to redox equilibrium + pe = 1.750 Adjusted to redox equilibrium Specific Conductance (µS/cm, 240°C) = 131 Density (g/cm³) = 0.82078 Volume (L) = 1.19112 @@ -3220,14 +3219,14 @@ H2Sg(g) 1.76 5.780e+01 0.883 0.000e+00 7.109e+00 7.109e+00 Total alkalinity (eq/kg) = 2.080e+00 Temperature (°C) = 240.00 Pressure (atm) = 98.70 - Electrical balance (eq) = 4.940e-19 + Electrical balance (eq) = 1.526e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 60 - Gamma iterations = 10 + Iterations = 52 + Gamma iterations = 5 Osmotic coefficient = 1.00000 Density of water = 0.82062 - Total H = 1.047427e+02 - Total O = 5.048019e+01 + Total H = 1.047402e+02 + Total O = 5.047896e+01 ----------------------------Distribution of species---------------------------- @@ -3235,12 +3234,12 @@ H2Sg(g) 1.76 5.780e+01 0.883 0.000e+00 7.109e+00 7.109e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 2.632e-04 2.545e-04 -3.580 -3.594 -0.015 0.00 - OH- 5.173e-07 5.001e-07 -6.286 -6.301 -0.015 (0) + OH- 5.174e-07 5.001e-07 -6.286 -6.301 -0.015 (0) H2O 5.551e+01 9.675e-01 1.744 -0.014 0.000 21.96 -H(0) 2.266e-14 - H2 1.133e-14 1.133e-14 -13.946 -13.946 0.000 (0) -O(0) 3.328e-24 - O2 1.664e-24 1.664e-24 -23.779 -23.779 0.000 (0) +H(0) 1.672e-14 + H2 8.358e-15 8.358e-15 -14.078 -14.078 0.000 (0) +O(0) 5.974e-24 + O2 2.987e-24 2.987e-24 -23.525 -23.525 0.000 (0) Sg 2.080e+00 H2Sg 1.585e+00 1.585e+00 0.200 0.200 0.000 61.87 (H2Sg)2 2.470e-01 2.470e-01 -0.607 -0.607 0.000 -29.66 @@ -3250,10 +3249,10 @@ Sg 2.080e+00 Phase SI** log IAP log K(513 K, 99 atm) - H2(g) -10.56 11.88 22.43 H2 + H2(g) -10.69 -10.69 0.00 H2 H2O(g) 1.47 -0.01 -1.48 H2O Pressure 40.9 atm, phi 0.715 H2Sg(g) 1.71 -7.19 -8.90 H2Sg Pressure 57.8 atm, phi 0.883 - O2(g) -19.99 -23.78 -3.79 O2 + O2(g) -19.73 -23.52 -3.79 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3287,24 +3286,24 @@ H2Sg(g) 1.56 3.671e+01 0.940 0.000e+00 7.854e+00 7.854e+00 ----------------------------Description of solution---------------------------- pH = 3.806 Charge balance - pe = 1.565 Adjusted to redox equilibrium + pe = 1.484 Adjusted to redox equilibrium Specific Conductance (µS/cm, 270°C) = 91 Density (g/cm³) = 0.76656 - Volume (L) = 1.04679 + Volume (L) = 1.04678 Activity of water = 0.975 Ionic strength (mol/kgw) = 1.612e-04 Mass of water (kg) = 7.611e-01 Total alkalinity (eq/kg) = 1.505e+00 Temperature (°C) = 270.00 Pressure (atm) = 98.70 - Electrical balance (eq) = 2.308e-20 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 69 - Gamma iterations = 8 + Electrical balance (eq) = -2.965e-19 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 88 + Gamma iterations = 12 Osmotic coefficient = 1.00000 Density of water = 0.77492 - Total H = 8.678602e+01 - Total O = 4.224749e+01 + Total H = 8.678351e+01 + Total O = 4.224624e+01 ----------------------------Distribution of species---------------------------- @@ -3314,10 +3313,10 @@ H2Sg(g) 1.56 3.671e+01 0.940 0.000e+00 7.854e+00 7.854e+00 H+ 1.612e-04 1.564e-04 -3.793 -3.806 -0.013 0.00 OH- 1.742e-06 1.690e-06 -5.759 -5.772 -0.013 (0) H2O 5.551e+01 9.754e-01 1.744 -0.011 0.000 23.27 -H(0) 1.407e-14 - H2 7.034e-15 7.034e-15 -14.153 -14.153 0.000 (0) -O(0) 1.101e-20 - O2 5.505e-21 5.505e-21 -20.259 -20.259 0.000 (0) +H(0) 2.034e-14 + H2 1.017e-14 1.017e-14 -13.993 -13.993 0.000 (0) +O(0) 5.144e-21 + O2 2.572e-21 2.572e-21 -20.590 -20.590 0.000 (0) Sg 1.505e+00 H2Sg 1.264e+00 1.264e+00 0.102 0.102 0.000 73.89 (H2Sg)2 1.204e-01 1.204e-01 -0.920 -0.920 0.000 -80.61 @@ -3327,10 +3326,10 @@ Sg 1.505e+00 Phase SI** log IAP log K(543 K, 99 atm) - H2(g) -10.74 10.12 20.86 H2 + H2(g) -10.58 -10.58 0.00 H2 H2O(g) 1.66 -0.01 -1.67 H2O Pressure 62.0 atm, phi 0.733 H2Sg(g) 1.54 -7.62 -9.15 H2Sg Pressure 36.7 atm, phi 0.940 - O2(g) -16.40 -20.26 -3.86 O2 + O2(g) -16.73 -20.59 -3.86 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3365,29 +3364,29 @@ H2Sg(g) 1.19 1.535e+01 1.005 0.000e+00 8.909e+00 8.909e+00 Elements Molality Moles - Sg 7.061e-01 9.079e-02 + Sg 7.061e-01 9.078e-02 ----------------------------Description of solution---------------------------- pH = 4.073 Charge balance - pe = 0.863 Adjusted to redox equilibrium + pe = 0.881 Adjusted to redox equilibrium Specific Conductance (µS/cm, 295°C) = 52 Density (g/cm³) = 0.71553 - Volume (L) = 0.18430 + Volume (L) = 0.18427 Activity of water = 0.988 Ionic strength (mol/kgw) = 8.667e-05 Mass of water (kg) = 1.286e-01 Total alkalinity (eq/kg) = 7.061e-01 Temperature (°C) = 295.00 Pressure (atm) = 98.70 - Electrical balance (eq) = 1.834e-19 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 309 (510 overall) - Gamma iterations = 51 + Electrical balance (eq) = -2.510e-19 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 257 (458 overall) + Gamma iterations = 38 Osmotic coefficient = 1.00000 Density of water = 0.72830 - Total H = 1.445811e+01 - Total O = 7.138261e+00 + Total H = 1.445547e+01 + Total O = 7.136955e+00 ----------------------------Distribution of species---------------------------- @@ -3397,10 +3396,10 @@ H2Sg(g) 1.19 1.535e+01 1.005 0.000e+00 8.909e+00 8.909e+00 H+ 8.667e-05 8.449e-05 -4.062 -4.073 -0.011 0.00 OH- 5.603e-06 5.462e-06 -5.252 -5.263 -0.011 (0) H2O 5.551e+01 9.879e-01 1.744 -0.005 0.000 24.79 -H(0) 9.987e-14 - H2 4.993e-14 4.993e-14 -13.302 -13.302 0.000 (0) -O(0) 4.824e-20 - O2 2.412e-20 2.412e-20 -19.618 -19.618 0.000 (0) +H(0) 9.195e-14 + H2 4.598e-14 4.598e-14 -13.337 -13.337 0.000 (0) +O(0) 5.560e-20 + O2 2.780e-20 2.780e-20 -19.556 -19.556 0.000 (0) Sg 7.061e-01 H2Sg 6.500e-01 6.500e-01 -0.187 -0.187 0.000 95.07 (H2Sg)2 2.799e-02 2.799e-02 -1.553 -1.553 0.000 -172.06 @@ -3410,10 +3409,10 @@ Sg 7.061e-01 Phase SI** log IAP log K(568 K, 99 atm) - H2(g) -9.87 9.80 19.68 H2 + H2(g) -9.91 -9.91 0.00 H2 H2O(g) 1.80 -0.01 -1.80 H2O Pressure 83.3 atm, phi 0.752 H2Sg(g) 1.19 -8.18 -9.36 H2Sg Pressure 15.4 atm, phi 1.005 - O2(g) -15.71 -19.62 -3.91 O2 + O2(g) -15.65 -19.56 -3.91 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3470,7 +3469,7 @@ H2Sg(g) 2.17 1.466e+02 0.154 0.000e+00 6.966e+00 6.966e+00 ----------------------------Description of solution---------------------------- pH = 3.313 Charge balance - pe = 2.301 Adjusted to redox equilibrium + pe = 2.354 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 35 Density (g/cm³) = 1.00919 Volume (L) = 1.06250 @@ -3480,14 +3479,14 @@ H2Sg(g) 2.17 1.466e+02 0.154 0.000e+00 6.966e+00 6.966e+00 Total alkalinity (eq/kg) = 2.037e+00 Temperature (°C) = 30.00 Pressure (atm) = 148.00 - Electrical balance (eq) = 1.461e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 35 + Electrical balance (eq) = -1.458e-17 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 83 Gamma iterations = 5 Osmotic coefficient = 1.00000 Density of water = 1.00212 - Total H = 1.149584e+02 - Total O = 5.544502e+01 + Total H = 1.149559e+02 + Total O = 5.544379e+01 ----------------------------Distribution of species---------------------------- @@ -3497,10 +3496,10 @@ H2Sg(g) 2.17 1.466e+02 0.154 0.000e+00 6.966e+00 6.966e+00 H+ 4.989e-04 4.864e-04 -3.302 -3.313 -0.011 0.00 OH- 3.289e-11 3.207e-11 -10.483 -10.494 -0.011 (0) H2O 5.551e+01 9.674e-01 1.744 -0.014 0.000 17.98 -H(0) 9.586e-15 - H2 4.793e-15 4.793e-15 -14.319 -14.319 0.000 (0) +H(0) 7.479e-15 + H2 3.740e-15 3.740e-15 -14.427 -14.427 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.845 -61.845 0.000 (0) + O2 0.000e+00 0.000e+00 -61.640 -61.640 0.000 (0) Sg 2.037e+00 H2Sg 1.642e+00 1.642e+00 0.215 0.215 0.000 35.74 (H2Sg)2 1.972e-01 1.972e-01 -0.705 -0.705 0.000 36.38 @@ -3510,10 +3509,10 @@ Sg 2.037e+00 Phase SI** log IAP log K(303 K, 148 atm) - H2(g) -11.23 30.91 42.14 H2 + H2(g) -11.34 -11.34 0.00 H2 H2O(g) -1.35 -0.01 1.33 H2O Pressure 1.4 atm, phi 0.033 H2Sg(g) 1.36 -6.63 -7.98 H2Sg Pressure 146.6 atm, phi 0.154 - O2(g) -58.91 -61.84 -2.94 O2 + O2(g) -58.70 -61.64 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3547,7 +3546,7 @@ H2Sg(g) 2.16 1.453e+02 0.262 0.000e+00 6.828e+00 6.828e+00 ----------------------------Description of solution---------------------------- pH = 3.194 Charge balance - pe = 2.358 Adjusted to redox equilibrium + pe = 2.210 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 79 Density (g/cm³) = 0.99517 Volume (L) = 1.08135 @@ -3557,14 +3556,14 @@ H2Sg(g) 2.16 1.453e+02 0.262 0.000e+00 6.828e+00 6.828e+00 Total alkalinity (eq/kg) = 2.177e+00 Temperature (°C) = 60.00 Pressure (atm) = 148.00 - Electrical balance (eq) = 3.582e-14 + Electrical balance (eq) = 6.826e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 81 + Iterations = 80 Gamma iterations = 10 Osmotic coefficient = 0.99999 Density of water = 0.98955 - Total H = 1.151106e+02 - Total O = 5.538282e+01 + Total H = 1.151081e+02 + Total O = 5.538159e+01 ----------------------------Distribution of species---------------------------- @@ -3574,10 +3573,10 @@ H2Sg(g) 2.16 1.453e+02 0.262 0.000e+00 6.828e+00 6.828e+00 H+ 6.604e-04 6.403e-04 -3.180 -3.194 -0.013 0.00 OH- 1.829e-10 1.773e-10 -9.738 -9.751 -0.013 (0) H2O 5.551e+01 9.670e-01 1.744 -0.015 0.000 18.21 -H(0) 1.099e-14 - H2 5.497e-15 5.497e-15 -14.260 -14.260 0.000 (0) +H(0) 2.166e-14 + H2 1.083e-14 1.083e-14 -13.965 -13.965 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.421 -53.421 0.000 (0) + O2 0.000e+00 0.000e+00 -54.020 -54.020 0.000 (0) Sg 2.177e+00 H2Sg 1.547e+00 1.547e+00 0.189 0.189 0.000 40.29 (H2Sg)2 3.151e-01 3.151e-01 -0.502 -0.502 0.000 34.73 @@ -3587,10 +3586,10 @@ Sg 2.177e+00 Phase SI** log IAP log K(333 K, 148 atm) - H2(g) -11.10 26.70 37.80 H2 + H2(g) -10.81 -10.81 0.00 H2 H2O(g) -0.68 -0.01 0.67 H2O Pressure 2.7 atm, phi 0.077 H2Sg(g) 1.58 -6.39 -7.97 H2Sg Pressure 145.3 atm, phi 0.262 - O2(g) -50.30 -53.42 -3.12 O2 + O2(g) -50.90 -54.02 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3624,7 +3623,7 @@ H2Sg(g) 2.16 1.432e+02 0.391 0.000e+00 6.456e+00 6.456e+00 ----------------------------Description of solution---------------------------- pH = 3.134 Charge balance - pe = 2.261 Adjusted to redox equilibrium + pe = 2.235 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 134 Density (g/cm³) = 0.98084 Volume (L) = 1.10920 @@ -3634,14 +3633,14 @@ H2Sg(g) 2.16 1.432e+02 0.391 0.000e+00 6.456e+00 6.456e+00 Total alkalinity (eq/kg) = 2.554e+00 Temperature (°C) = 90.00 Pressure (atm) = 148.00 - Electrical balance (eq) = 3.632e-14 + Electrical balance (eq) = 1.780e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 70 - Gamma iterations = 17 + Iterations = 50 + Gamma iterations = 5 Osmotic coefficient = 0.99999 Density of water = 0.97204 - Total H = 1.156770e+02 - Total O = 5.529474e+01 + Total H = 1.156746e+02 + Total O = 5.529351e+01 ----------------------------Distribution of species---------------------------- @@ -3651,10 +3650,10 @@ H2Sg(g) 2.16 1.432e+02 0.391 0.000e+00 6.456e+00 6.456e+00 H+ 7.608e-04 7.344e-04 -3.119 -3.134 -0.015 0.00 OH- 8.376e-10 8.085e-10 -9.077 -9.092 -0.015 (0) H2O 5.551e+01 9.632e-01 1.744 -0.016 0.000 18.53 -H(0) 1.996e-14 - H2 9.981e-15 9.981e-15 -14.001 -14.001 0.000 (0) +H(0) 2.247e-14 + H2 1.123e-14 1.123e-14 -13.949 -13.949 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.809 -46.809 0.000 (0) + O2 0.000e+00 0.000e+00 -46.922 -46.922 0.000 (0) Sg 2.554e+00 H2Sg 1.611e+00 1.611e+00 0.207 0.207 0.000 43.18 (H2Sg)2 4.710e-01 4.710e-01 -0.327 -0.327 0.000 32.23 @@ -3664,10 +3663,10 @@ Sg 2.554e+00 Phase SI** log IAP log K(363 K, 148 atm) - H2(g) -10.79 23.39 34.18 H2 + H2(g) -10.74 -10.74 0.00 H2 H2O(g) -0.14 -0.02 0.12 H2O Pressure 4.8 atm, phi 0.152 H2Sg(g) 1.75 -6.27 -8.02 H2Sg Pressure 143.2 atm, phi 0.391 - O2(g) -43.53 -46.81 -3.28 O2 + O2(g) -43.64 -46.92 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3701,7 +3700,7 @@ H2Sg(g) 2.15 1.405e+02 0.523 0.000e+00 5.974e+00 5.974e+00 ----------------------------Description of solution---------------------------- pH = 3.126 Charge balance - pe = 2.077 Adjusted to redox equilibrium + pe = 2.247 Adjusted to redox equilibrium Specific Conductance (µS/cm, 120°C) = 185 Density (g/cm³) = 0.96457 Volume (L) = 1.14398 @@ -3711,14 +3710,14 @@ H2Sg(g) 2.15 1.405e+02 0.523 0.000e+00 5.974e+00 5.974e+00 Total alkalinity (eq/kg) = 3.043e+00 Temperature (°C) = 120.00 Pressure (atm) = 148.00 - Electrical balance (eq) = 1.780e-15 + Electrical balance (eq) = 1.001e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 61 - Gamma iterations = 6 + Iterations = 73 + Gamma iterations = 8 Osmotic coefficient = 0.99999 Density of water = 0.95045 - Total H = 1.164315e+02 - Total O = 5.518993e+01 + Total H = 1.164291e+02 + Total O = 5.518870e+01 ----------------------------Distribution of species---------------------------- @@ -3728,10 +3727,10 @@ H2Sg(g) 2.15 1.405e+02 0.523 0.000e+00 5.974e+00 5.974e+00 H+ 7.779e-04 7.485e-04 -3.109 -3.126 -0.017 0.00 OH- 3.343e-09 3.216e-09 -8.476 -8.493 -0.017 (0) H2O 5.551e+01 9.576e-01 1.744 -0.019 0.000 18.96 -H(0) 4.341e-14 - H2 2.170e-14 2.170e-14 -13.663 -13.663 0.000 (0) +H(0) 1.986e-14 + H2 9.931e-15 9.931e-15 -14.003 -14.003 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -41.445 -41.445 0.000 (0) + O2 0.000e+00 0.000e+00 -40.776 -40.776 0.000 (0) Sg 3.043e+00 H2Sg 1.763e+00 1.763e+00 0.246 0.246 0.000 45.51 (H2Sg)2 6.399e-01 6.399e-01 -0.194 -0.194 0.000 28.50 @@ -3741,10 +3740,10 @@ Sg 3.043e+00 Phase SI** log IAP log K(393 K, 148 atm) - H2(g) -10.41 20.70 31.11 H2 + H2(g) -10.75 -10.75 0.00 H2 H2O(g) 0.30 -0.02 -0.32 H2O Pressure 7.5 atm, phi 0.267 H2Sg(g) 1.87 -6.25 -8.12 H2Sg Pressure 140.5 atm, phi 0.523 - O2(g) -38.03 -41.44 -3.41 O2 + O2(g) -37.36 -40.78 -3.41 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3778,7 +3777,7 @@ H2Sg(g) 2.14 1.368e+02 0.626 0.000e+00 5.577e+00 5.577e+00 ----------------------------Description of solution---------------------------- pH = 3.165 Charge balance - pe = 2.280 Adjusted to redox equilibrium + pe = 2.328 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 215 Density (g/cm³) = 0.94429 Volume (L) = 1.18116 @@ -3788,14 +3787,14 @@ H2Sg(g) 2.14 1.368e+02 0.626 0.000e+00 5.577e+00 5.577e+00 Total alkalinity (eq/kg) = 3.451e+00 Temperature (°C) = 150.00 Pressure (atm) = 148.00 - Electrical balance (eq) = 1.882e-13 + Electrical balance (eq) = 1.507e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 76 - Gamma iterations = 6 + Iterations = 56 + Gamma iterations = 5 Osmotic coefficient = 0.99999 Density of water = 0.92509 - Total H = 1.169562e+02 - Total O = 5.505534e+01 + Total H = 1.169537e+02 + Total O = 5.505411e+01 ----------------------------Distribution of species---------------------------- @@ -3805,10 +3804,10 @@ H2Sg(g) 2.14 1.368e+02 0.626 0.000e+00 5.577e+00 5.577e+00 H+ 7.122e-04 6.841e-04 -3.147 -3.165 -0.017 0.00 OH- 1.218e-08 1.170e-08 -7.914 -7.932 -0.017 (0) H2O 5.551e+01 9.526e-01 1.744 -0.021 0.000 19.48 -H(0) 1.299e-14 - H2 6.495e-15 6.495e-15 -14.187 -14.187 0.000 (0) -O(0) 1.224e-35 - O2 6.118e-36 6.118e-36 -35.213 -35.213 0.000 (0) +H(0) 1.040e-14 + H2 5.199e-15 5.199e-15 -14.284 -14.284 0.000 (0) +O(0) 1.865e-35 + O2 9.327e-36 9.327e-36 -35.030 -35.030 0.000 (0) Sg 3.451e+00 H2Sg 1.936e+00 1.936e+00 0.287 0.287 0.000 47.82 (H2Sg)2 7.571e-01 7.571e-01 -0.121 -0.121 0.000 22.88 @@ -3818,10 +3817,10 @@ Sg 3.451e+00 Phase SI** log IAP log K(423 K, 148 atm) - H2(g) -10.89 17.59 28.48 H2 + H2(g) -10.99 -10.99 0.00 H2 H2O(g) 0.67 -0.02 -0.69 H2O Pressure 11.2 atm, phi 0.423 H2Sg(g) 1.93 -6.33 -8.26 H2Sg Pressure 136.8 atm, phi 0.626 - O2(g) -31.69 -35.21 -3.53 O2 + O2(g) -31.50 -35.03 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3855,7 +3854,7 @@ H2Sg(g) 2.11 1.294e+02 0.702 0.000e+00 5.367e+00 5.367e+00 ----------------------------Description of solution---------------------------- pH = 3.244 Charge balance - pe = 2.088 Adjusted to redox equilibrium + pe = 2.093 Adjusted to redox equilibrium Specific Conductance (µS/cm, 180°C) = 217 Density (g/cm³) = 0.91831 Volume (L) = 1.21668 @@ -3865,14 +3864,14 @@ H2Sg(g) 2.11 1.294e+02 0.702 0.000e+00 5.367e+00 5.367e+00 Total alkalinity (eq/kg) = 3.684e+00 Temperature (°C) = 180.00 Pressure (atm) = 148.00 - Electrical balance (eq) = 1.466e-15 + Electrical balance (eq) = 1.147e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 53 - Gamma iterations = 8 + Iterations = 49 + Gamma iterations = 7 Osmotic coefficient = 0.99999 Density of water = 0.89603 - Total H = 1.167472e+02 - Total O = 5.474024e+01 + Total H = 1.167448e+02 + Total O = 5.473900e+01 ----------------------------Distribution of species---------------------------- @@ -3882,12 +3881,12 @@ H2Sg(g) 2.11 1.294e+02 0.702 0.000e+00 5.367e+00 5.367e+00 H+ 5.942e-04 5.707e-04 -3.226 -3.244 -0.018 0.00 OH- 4.146e-08 3.982e-08 -7.382 -7.400 -0.018 (0) H2O 5.551e+01 9.492e-01 1.744 -0.023 0.000 20.11 -H(0) 2.025e-14 - H2 1.013e-14 1.013e-14 -13.995 -13.995 0.000 (0) -O(0) 1.585e-31 - O2 7.924e-32 7.924e-32 -31.101 -31.101 0.000 (0) +H(0) 1.974e-14 + H2 9.869e-15 9.869e-15 -14.006 -14.006 0.000 (0) +O(0) 1.630e-31 + O2 8.151e-32 8.151e-32 -31.089 -31.089 0.000 (0) Sg 3.684e+00 - H2Sg 2.107e+00 2.107e+00 0.324 0.324 0.000 50.55 + H2Sg 2.107e+00 2.107e+00 0.324 0.324 -0.000 50.55 (H2Sg)2 7.886e-01 7.886e-01 -0.103 -0.103 0.000 14.19 HSg- 5.942e-04 5.707e-04 -3.226 -3.244 -0.018 11.28 @@ -3895,10 +3894,10 @@ Sg 3.684e+00 Phase SI** log IAP log K(453 K, 148 atm) - H2(g) -10.66 15.53 26.19 H2 + H2(g) -10.67 -10.67 0.00 H2 H2O(g) 0.98 -0.02 -1.01 H2O Pressure 18.6 atm, phi 0.519 H2Sg(g) 1.96 -6.49 -8.45 H2Sg Pressure 129.4 atm, phi 0.702 - O2(g) -27.47 -31.10 -3.63 O2 + O2(g) -27.46 -31.09 -3.63 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3932,7 +3931,7 @@ H2Sg(g) 2.07 1.174e+02 0.764 0.000e+00 5.315e+00 5.315e+00 ----------------------------Description of solution---------------------------- pH = 3.353 Charge balance - pe = 2.098 Adjusted to redox equilibrium + pe = 1.963 Adjusted to redox equilibrium Specific Conductance (µS/cm, 210°C) = 198 Density (g/cm³) = 0.88601 Volume (L) = 1.25059 @@ -3942,14 +3941,14 @@ H2Sg(g) 2.07 1.174e+02 0.764 0.000e+00 5.315e+00 5.315e+00 Total alkalinity (eq/kg) = 3.780e+00 Temperature (°C) = 210.00 Pressure (atm) = 148.00 - Electrical balance (eq) = -7.380e-20 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 41 + Electrical balance (eq) = 1.660e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 40 Gamma iterations = 5 Osmotic coefficient = 1.00000 Density of water = 0.86304 - Total H = 1.156160e+02 - Total O = 5.412281e+01 + Total H = 1.156136e+02 + Total O = 5.412158e+01 ----------------------------Distribution of species---------------------------- @@ -3959,10 +3958,10 @@ H2Sg(g) 2.07 1.174e+02 0.764 0.000e+00 5.315e+00 5.315e+00 H+ 4.616e-04 4.438e-04 -3.336 -3.353 -0.017 0.00 OH- 1.331e-07 1.279e-07 -6.876 -6.893 -0.017 (0) H2O 5.551e+01 9.469e-01 1.744 -0.024 0.000 20.88 -H(0) 1.091e-14 - H2 5.456e-15 5.456e-15 -14.263 -14.263 0.000 (0) -O(0) 4.763e-27 - O2 2.381e-27 2.381e-27 -26.623 -26.623 0.000 (0) +H(0) 2.031e-14 + H2 1.016e-14 1.016e-14 -13.993 -13.993 0.000 (0) +O(0) 1.342e-27 + O2 6.712e-28 6.712e-28 -27.173 -27.173 0.000 (0) Sg 3.780e+00 H2Sg 2.276e+00 2.276e+00 0.357 0.357 0.000 54.33 (H2Sg)2 7.515e-01 7.515e-01 -0.124 -0.124 0.000 0.17 @@ -3972,10 +3971,10 @@ Sg 3.780e+00 Phase SI** log IAP log K(483 K, 148 atm) - H2(g) -10.90 13.29 24.19 H2 + H2(g) -10.63 -10.63 0.00 H2 H2O(g) 1.25 -0.02 -1.27 H2O Pressure 30.6 atm, phi 0.575 H2Sg(g) 1.95 -6.71 -8.66 H2Sg Pressure 117.4 atm, phi 0.764 - O2(g) -22.91 -26.62 -3.71 O2 + O2(g) -23.46 -27.17 -3.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4009,7 +4008,7 @@ H2Sg(g) 2.00 9.994e+01 0.822 0.000e+00 5.490e+00 5.490e+00 ----------------------------Description of solution---------------------------- pH = 3.490 Charge balance - pe = 1.845 Adjusted to redox equilibrium + pe = 1.815 Adjusted to redox equilibrium Specific Conductance (µS/cm, 240°C) = 165 Density (g/cm³) = 0.84543 Volume (L) = 1.27643 @@ -4019,14 +4018,14 @@ H2Sg(g) 2.00 9.994e+01 0.822 0.000e+00 5.490e+00 5.490e+00 Total alkalinity (eq/kg) = 3.685e+00 Temperature (°C) = 240.00 Pressure (atm) = 148.00 - Electrical balance (eq) = 2.375e-19 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 67 - Gamma iterations = 8 + Electrical balance (eq) = -3.020e-19 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 90 + Gamma iterations = 7 Osmotic coefficient = 1.00000 Density of water = 0.82543 - Total H = 1.127594e+02 - Total O = 5.286970e+01 + Total H = 1.127570e+02 + Total O = 5.286847e+01 ----------------------------Distribution of species---------------------------- @@ -4034,12 +4033,12 @@ H2Sg(g) 2.00 9.994e+01 0.822 0.000e+00 5.490e+00 5.490e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 3.363e-04 3.238e-04 -3.473 -3.490 -0.016 0.00 - OH- 4.096e-07 3.944e-07 -6.388 -6.404 -0.016 (0) + OH- 4.096e-07 3.945e-07 -6.388 -6.404 -0.016 (0) H2O 5.551e+01 9.468e-01 1.744 -0.024 0.000 21.83 -H(0) 1.748e-14 - H2 8.740e-15 8.740e-15 -14.058 -14.058 0.000 (0) -O(0) 5.632e-24 - O2 2.816e-24 2.816e-24 -23.550 -23.550 0.000 (0) +H(0) 2.015e-14 + H2 1.007e-14 1.007e-14 -13.997 -13.997 0.000 (0) +O(0) 4.142e-24 + O2 2.071e-24 2.071e-24 -23.684 -23.684 0.000 (0) Sg 3.685e+00 H2Sg 2.386e+00 2.386e+00 0.378 0.378 0.000 60.30 (H2Sg)2 6.492e-01 6.492e-01 -0.188 -0.188 0.000 -23.94 @@ -4049,10 +4048,10 @@ Sg 3.685e+00 Phase SI** log IAP log K(513 K, 148 atm) - H2(g) -10.67 11.75 22.42 H2 + H2(g) -10.61 -10.61 0.00 H2 H2O(g) 1.47 -0.02 -1.49 H2O Pressure 48.1 atm, phi 0.611 H2Sg(g) 1.91 -6.98 -8.89 H2Sg Pressure 99.9 atm, phi 0.822 - O2(g) -19.76 -23.55 -3.79 O2 + O2(g) -19.89 -23.68 -3.79 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4086,7 +4085,7 @@ H2Sg(g) 1.88 7.667e+01 0.885 0.000e+00 6.040e+00 6.040e+00 ----------------------------Description of solution---------------------------- pH = 3.654 Charge balance - pe = 1.740 Adjusted to redox equilibrium + pe = 1.610 Adjusted to redox equilibrium Specific Conductance (µS/cm, 270°C) = 128 Density (g/cm³) = 0.79315 Volume (L) = 1.26785 @@ -4096,14 +4095,14 @@ H2Sg(g) 1.88 7.667e+01 0.885 0.000e+00 6.040e+00 6.040e+00 Total alkalinity (eq/kg) = 3.293e+00 Temperature (°C) = 270.00 Pressure (atm) = 148.00 - Electrical balance (eq) = 1.681e-19 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 81 - Gamma iterations = 11 + Electrical balance (eq) = -2.922e-19 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 103 + Gamma iterations = 15 Osmotic coefficient = 1.00000 Density of water = 0.78150 - Total H = 1.057001e+02 - Total O = 4.989046e+01 + Total H = 1.056976e+02 + Total O = 4.988922e+01 ----------------------------Distribution of species---------------------------- @@ -4113,10 +4112,10 @@ H2Sg(g) 1.88 7.667e+01 0.885 0.000e+00 6.040e+00 6.040e+00 H+ 2.297e-04 2.217e-04 -3.639 -3.654 -0.015 0.00 OH- 1.234e-06 1.191e-06 -5.909 -5.924 -0.015 (0) H2O 5.551e+01 9.508e-01 1.744 -0.022 0.000 23.07 -H(0) 1.259e-14 - H2 6.295e-15 6.295e-15 -14.201 -14.201 0.000 (0) -O(0) 1.373e-20 - O2 6.866e-21 6.866e-21 -20.163 -20.163 0.000 (0) +H(0) 2.294e-14 + H2 1.147e-14 1.147e-14 -13.940 -13.940 0.000 (0) +O(0) 4.042e-21 + O2 2.021e-21 2.021e-21 -20.694 -20.694 0.000 (0) Sg 3.293e+00 H2Sg 2.311e+00 2.311e+00 0.364 0.364 0.000 71.13 (H2Sg)2 4.906e-01 4.906e-01 -0.309 -0.309 0.000 -69.72 @@ -4126,22 +4125,16 @@ Sg 3.293e+00 Phase SI** log IAP log K(543 K, 148 atm) - H2(g) -10.79 10.06 20.85 H2 + H2(g) -10.53 -10.53 0.00 H2 H2O(g) 1.66 -0.02 -1.68 H2O Pressure 71.3 atm, phi 0.637 H2Sg(g) 1.83 -7.31 -9.14 H2Sg Pressure 76.7 atm, phi 0.885 - O2(g) -16.30 -20.16 -3.86 O2 + O2(g) -16.84 -20.69 -3.86 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. Reaction step 10. -WARNING: Maximum iterations exceeded, 200 - -WARNING: Numerical method failed with this set of convergence parameters. - -WARNING: Trying smaller step size, pe step size 10, 5 ... - Using solution 1. Using gas phase 1. Using temperature 10. @@ -4169,24 +4162,24 @@ H2Sg(g) 1.68 4.768e+01 0.966 0.000e+00 7.247e+00 7.247e+00 ----------------------------Description of solution---------------------------- pH = 3.850 Charge balance - pe = 1.420 Adjusted to redox equilibrium + pe = 1.439 Adjusted to redox equilibrium Specific Conductance (µS/cm, 300°C) = 91 Density (g/cm³) = 0.72488 - Volume (L) = 1.08783 + Volume (L) = 1.08782 Activity of water = 0.963 Ionic strength (mol/kgw) = 1.461e-04 Mass of water (kg) = 7.253e-01 Total alkalinity (eq/kg) = 2.417e+00 Temperature (°C) = 300.00 Pressure (atm) = 148.00 - Electrical balance (eq) = 1.021e-19 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 329 (530 overall) - Gamma iterations = 52 + Electrical balance (eq) = -3.274e-19 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 147 + Gamma iterations = 21 Osmotic coefficient = 1.00000 Density of water = 0.72722 - Total H = 8.402546e+01 - Total O = 4.025972e+01 + Total H = 8.402290e+01 + Total O = 4.025845e+01 ----------------------------Distribution of species---------------------------- @@ -4196,10 +4189,10 @@ H2Sg(g) 1.68 4.768e+01 0.966 0.000e+00 7.247e+00 7.247e+00 H+ 1.461e-04 1.413e-04 -3.835 -3.850 -0.014 0.00 OH- 3.741e-06 3.619e-06 -5.427 -5.441 -0.014 (0) H2O 5.551e+01 9.625e-01 1.744 -0.017 0.000 24.82 -H(0) 2.131e-14 - H2 1.065e-14 1.065e-14 -13.972 -13.972 0.000 (0) -O(0) 2.930e-18 - O2 1.465e-18 1.465e-18 -17.834 -17.834 0.000 (0) +H(0) 1.954e-14 + H2 9.771e-15 9.771e-15 -14.010 -14.010 0.000 (0) +O(0) 3.404e-18 + O2 1.702e-18 1.702e-18 -17.769 -17.769 0.000 (0) Sg 2.417e+00 H2Sg 1.825e+00 1.825e+00 0.261 0.261 0.000 95.03 (H2Sg)2 2.960e-01 2.960e-01 -0.529 -0.529 0.000 -172.90 @@ -4209,10 +4202,10 @@ Sg 2.417e+00 Phase SI** log IAP log K(573 K, 148 atm) - H2(g) -10.54 8.90 19.44 H2 + H2(g) -10.58 -10.58 0.00 H2 H2O(g) 1.82 -0.02 -1.84 H2O Pressure 100.3 atm, phi 0.661 H2Sg(g) 1.66 -7.71 -9.37 H2Sg Pressure 47.7 atm, phi 0.966 - O2(g) -13.91 -17.83 -3.92 O2 + O2(g) -13.85 -17.77 -3.92 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4269,7 +4262,7 @@ H2Sg(g) 2.29 1.956e+02 0.125 0.000e+00 6.918e+00 6.918e+00 ----------------------------Description of solution---------------------------- pH = 3.305 Charge balance - pe = 2.130 Adjusted to redox equilibrium + pe = 2.137 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 36 Density (g/cm³) = 1.01211 Volume (L) = 1.06113 @@ -4279,14 +4272,14 @@ H2Sg(g) 2.29 1.956e+02 0.125 0.000e+00 6.918e+00 6.918e+00 Total alkalinity (eq/kg) = 2.084e+00 Temperature (°C) = 30.00 Pressure (atm) = 197.40 - Electrical balance (eq) = 4.534e-16 + Electrical balance (eq) = 4.476e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 81 - Gamma iterations = 7 + Iterations = 69 + Gamma iterations = 5 Osmotic coefficient = 1.00000 Density of water = 1.00427 - Total H = 1.150542e+02 - Total O = 5.544544e+01 + Total H = 1.150517e+02 + Total O = 5.544421e+01 ----------------------------Distribution of species---------------------------- @@ -4296,12 +4289,12 @@ H2Sg(g) 2.29 1.956e+02 0.125 0.000e+00 6.918e+00 6.918e+00 H+ 5.083e-04 4.955e-04 -3.294 -3.305 -0.011 0.00 OH- 3.344e-11 3.259e-11 -10.476 -10.487 -0.011 (0) H2O 5.551e+01 9.668e-01 1.744 -0.015 0.000 17.94 -H(0) 2.179e-14 - H2 1.089e-14 1.089e-14 -13.963 -13.963 0.000 (0) +H(0) 2.109e-14 + H2 1.055e-14 1.055e-14 -13.977 -13.977 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.528 -62.528 0.000 (0) + O2 0.000e+00 0.000e+00 -62.510 -62.510 0.000 (0) Sg 2.084e+00 - H2Sg 1.661e+00 1.661e+00 0.220 0.220 -0.000 35.21 + H2Sg 1.661e+00 1.661e+00 0.220 0.220 0.000 35.21 (H2Sg)2 2.113e-01 2.113e-01 -0.675 -0.675 0.000 38.41 HSg- 5.083e-04 4.955e-04 -3.294 -3.305 -0.011 20.85 @@ -4309,10 +4302,10 @@ Sg 2.084e+00 Phase SI** log IAP log K(303 K, 197 atm) - H2(g) -10.87 31.25 42.12 H2 + H2(g) -10.88 -10.88 0.00 H2 H2O(g) -1.33 -0.01 1.32 H2O Pressure 1.8 atm, phi 0.026 H2Sg(g) 1.39 -6.61 -8.00 H2Sg Pressure 195.6 atm, phi 0.125 - O2(g) -59.59 -62.53 -2.94 O2 + O2(g) -59.57 -62.51 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4346,7 +4339,7 @@ H2Sg(g) 2.29 1.938e+02 0.213 0.000e+00 6.757e+00 6.757e+00 ----------------------------Description of solution---------------------------- pH = 3.185 Charge balance - pe = 2.385 Adjusted to redox equilibrium + pe = 2.215 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 81 Density (g/cm³) = 0.99822 Volume (L) = 1.08059 @@ -4356,14 +4349,14 @@ H2Sg(g) 2.29 1.938e+02 0.213 0.000e+00 6.757e+00 6.757e+00 Total alkalinity (eq/kg) = 2.248e+00 Temperature (°C) = 60.00 Pressure (atm) = 197.40 - Electrical balance (eq) = -5.495e-19 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 77 - Gamma iterations = 26 + Electrical balance (eq) = 1.510e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 55 + Gamma iterations = 15 Osmotic coefficient = 0.99999 Density of water = 0.99164 - Total H = 1.152520e+02 - Total O = 5.538328e+01 + Total H = 1.152496e+02 + Total O = 5.538205e+01 ----------------------------Distribution of species---------------------------- @@ -4373,10 +4366,10 @@ H2Sg(g) 2.29 1.938e+02 0.213 0.000e+00 6.757e+00 6.757e+00 H+ 6.743e-04 6.537e-04 -3.171 -3.185 -0.013 0.00 OH- 1.850e-10 1.793e-10 -9.733 -9.746 -0.013 (0) H2O 5.551e+01 9.662e-01 1.744 -0.015 0.000 18.17 -H(0) 1.011e-14 - H2 5.057e-15 5.057e-15 -14.296 -14.296 0.000 (0) +H(0) 2.207e-14 + H2 1.104e-14 1.104e-14 -13.957 -13.957 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.320 -53.320 0.000 (0) + O2 0.000e+00 0.000e+00 -54.009 -54.009 0.000 (0) Sg 2.248e+00 H2Sg 1.564e+00 1.564e+00 0.194 0.194 0.000 39.68 (H2Sg)2 3.417e-01 3.417e-01 -0.466 -0.466 0.000 36.80 @@ -4386,10 +4379,10 @@ Sg 2.248e+00 Phase SI** log IAP log K(333 K, 197 atm) - H2(g) -11.14 26.65 37.78 H2 + H2(g) -10.80 -10.80 0.00 H2 H2O(g) -0.67 -0.01 0.65 H2O Pressure 3.6 atm, phi 0.059 H2Sg(g) 1.62 -6.37 -7.98 H2Sg Pressure 193.8 atm, phi 0.213 - O2(g) -50.20 -53.32 -3.12 O2 + O2(g) -50.89 -54.01 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4423,7 +4416,7 @@ H2Sg(g) 2.28 1.909e+02 0.319 0.000e+00 6.328e+00 6.328e+00 ----------------------------Description of solution---------------------------- pH = 3.123 Charge balance - pe = 2.362 Adjusted to redox equilibrium + pe = 2.252 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 137 Density (g/cm³) = 0.98453 Volume (L) = 1.10973 @@ -4433,14 +4426,14 @@ H2Sg(g) 2.28 1.909e+02 0.319 0.000e+00 6.328e+00 6.328e+00 Total alkalinity (eq/kg) = 2.682e+00 Temperature (°C) = 90.00 Pressure (atm) = 197.40 - Electrical balance (eq) = 1.671e-15 + Electrical balance (eq) = 6.787e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 58 - Gamma iterations = 16 + Iterations = 50 + Gamma iterations = 4 Osmotic coefficient = 0.99999 Density of water = 0.97423 - Total H = 1.159324e+02 - Total O = 5.529437e+01 + Total H = 1.159299e+02 + Total O = 5.529314e+01 ----------------------------Distribution of species---------------------------- @@ -4448,12 +4441,12 @@ H2Sg(g) 2.28 1.909e+02 0.319 0.000e+00 6.328e+00 6.328e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 7.805e-04 7.532e-04 -3.108 -3.123 -0.015 0.00 - OH- 8.410e-10 8.116e-10 -9.075 -9.091 -0.015 (0) + OH- 8.411e-10 8.116e-10 -9.075 -9.091 -0.015 (0) H2O 5.551e+01 9.618e-01 1.744 -0.017 0.000 18.49 -H(0) 1.316e-14 - H2 6.581e-15 6.581e-15 -14.182 -14.182 0.000 (0) +H(0) 2.187e-14 + H2 1.094e-14 1.094e-14 -13.961 -13.961 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.422 -46.422 0.000 (0) + O2 0.000e+00 0.000e+00 -46.874 -46.874 0.000 (0) Sg 2.682e+00 H2Sg 1.639e+00 1.639e+00 0.215 0.215 0.000 42.51 (H2Sg)2 5.212e-01 5.212e-01 -0.283 -0.283 0.000 34.36 @@ -4463,10 +4456,10 @@ Sg 2.682e+00 Phase SI** log IAP log K(363 K, 197 atm) - H2(g) -10.97 23.19 34.16 H2 + H2(g) -10.75 -10.75 0.00 H2 H2O(g) -0.13 -0.02 0.11 H2O Pressure 6.5 atm, phi 0.115 H2Sg(g) 1.79 -6.25 -8.03 H2Sg Pressure 190.9 atm, phi 0.319 - O2(g) -43.14 -46.42 -3.28 O2 + O2(g) -43.59 -46.87 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4500,7 +4493,7 @@ H2Sg(g) 2.27 1.867e+02 0.434 0.000e+00 5.726e+00 5.726e+00 ----------------------------Description of solution---------------------------- pH = 3.111 Charge balance - pe = 2.337 Adjusted to redox equilibrium + pe = 2.069 Adjusted to redox equilibrium Specific Conductance (µS/cm, 120°C) = 191 Density (g/cm³) = 0.96979 Volume (L) = 1.14693 @@ -4512,12 +4505,12 @@ H2Sg(g) 2.27 1.867e+02 0.434 0.000e+00 5.726e+00 5.726e+00 Pressure (atm) = 197.40 Electrical balance (eq) = 1.512e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 72 - Gamma iterations = 5 + Iterations = 51 + Gamma iterations = 9 Osmotic coefficient = 0.99999 Density of water = 0.95284 - Total H = 1.169130e+02 - Total O = 5.518276e+01 + Total H = 1.169105e+02 + Total O = 5.518153e+01 ----------------------------Distribution of species---------------------------- @@ -4527,10 +4520,10 @@ H2Sg(g) 2.27 1.867e+02 0.434 0.000e+00 5.726e+00 5.726e+00 H+ 8.056e-04 7.748e-04 -3.094 -3.111 -0.017 0.00 OH- 3.316e-09 3.189e-09 -8.479 -8.496 -0.017 (0) H2O 5.551e+01 9.550e-01 1.744 -0.020 0.000 18.91 -H(0) 1.407e-14 - H2 7.034e-15 7.034e-15 -14.153 -14.153 0.000 (0) +H(0) 4.832e-14 + H2 2.416e-14 2.416e-14 -13.617 -13.617 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -40.443 -40.443 0.000 (0) + O2 0.000e+00 0.000e+00 -41.525 -41.525 0.000 (0) Sg 3.293e+00 H2Sg 1.822e+00 1.822e+00 0.260 0.260 0.000 44.79 (H2Sg)2 7.353e-01 7.353e-01 -0.134 -0.134 0.000 30.74 @@ -4540,10 +4533,10 @@ Sg 3.293e+00 Phase SI** log IAP log K(393 K, 197 atm) - H2(g) -10.90 20.20 31.10 H2 + H2(g) -10.36 -10.36 0.00 H2 H2O(g) 0.31 -0.02 -0.33 H2O Pressure 10.7 atm, phi 0.194 H2Sg(g) 1.91 -6.22 -8.13 H2Sg Pressure 186.7 atm, phi 0.434 - O2(g) -37.03 -40.44 -3.41 O2 + O2(g) -38.11 -41.53 -3.41 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4577,7 +4570,7 @@ H2Sg(g) 2.26 1.810e+02 0.541 0.000e+00 5.069e+00 5.069e+00 ----------------------------Description of solution---------------------------- pH = 3.141 Charge balance - pe = 2.201 Adjusted to redox equilibrium + pe = 2.196 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 225 Density (g/cm³) = 0.95302 Volume (L) = 1.18954 @@ -4587,14 +4580,14 @@ H2Sg(g) 2.26 1.810e+02 0.541 0.000e+00 5.069e+00 5.069e+00 Total alkalinity (eq/kg) = 3.964e+00 Temperature (°C) = 150.00 Pressure (atm) = 197.40 - Electrical balance (eq) = 2.139e-19 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 54 + Electrical balance (eq) = -5.460e-19 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 53 Gamma iterations = 6 Osmotic coefficient = 0.99999 Density of water = 0.92776 - Total H = 1.179657e+02 - Total O = 5.505137e+01 + Total H = 1.179632e+02 + Total O = 5.505014e+01 ----------------------------Distribution of species---------------------------- @@ -4602,14 +4595,14 @@ H2Sg(g) 2.26 1.810e+02 0.541 0.000e+00 5.069e+00 5.069e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 7.530e-04 7.227e-04 -3.123 -3.141 -0.018 0.00 - OH- 1.179e-08 1.131e-08 -7.929 -7.946 -0.018 (0) + OH- 1.179e-08 1.132e-08 -7.928 -7.946 -0.018 (0) H2O 5.551e+01 9.470e-01 1.744 -0.024 0.000 19.42 -H(0) 2.091e-14 - H2 1.046e-14 1.046e-14 -13.981 -13.981 0.000 (0) -O(0) 4.928e-36 - O2 2.464e-36 2.464e-36 -35.608 -35.608 0.000 (0) +H(0) 2.136e-14 + H2 1.068e-14 1.068e-14 -13.971 -13.971 0.000 (0) +O(0) 4.613e-36 + O2 2.306e-36 2.306e-36 -35.637 -35.637 0.000 (0) Sg 3.964e+00 - H2Sg 2.076e+00 2.076e+00 0.317 0.317 0.000 47.03 + H2Sg 2.076e+00 2.076e+00 0.317 0.317 -0.000 47.03 (H2Sg)2 9.437e-01 9.437e-01 -0.025 -0.025 0.000 25.33 HSg- 7.530e-04 7.227e-04 -3.123 -3.141 -0.018 16.07 @@ -4617,10 +4610,10 @@ Sg 3.964e+00 Phase SI** log IAP log K(423 K, 197 atm) - H2(g) -10.68 17.78 28.46 H2 + H2(g) -10.67 -10.67 0.00 H2 H2O(g) 0.68 -0.02 -0.71 H2O Pressure 16.4 atm, phi 0.294 H2Sg(g) 1.99 -6.28 -8.27 H2Sg Pressure 181.0 atm, phi 0.541 - O2(g) -32.08 -35.61 -3.53 O2 + O2(g) -32.11 -35.64 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4654,7 +4647,7 @@ H2Sg(g) 2.24 1.725e+02 0.630 0.000e+00 4.496e+00 4.496e+00 ----------------------------Description of solution---------------------------- pH = 3.208 Charge balance - pe = 1.971 Adjusted to redox equilibrium + pe = 2.267 Adjusted to redox equilibrium Specific Conductance (µS/cm, 180°C) = 233 Density (g/cm³) = 0.93264 Volume (L) = 1.23405 @@ -4664,14 +4657,14 @@ H2Sg(g) 2.24 1.725e+02 0.630 0.000e+00 4.496e+00 4.496e+00 Total alkalinity (eq/kg) = 4.558e+00 Temperature (°C) = 180.00 Pressure (atm) = 197.40 - Electrical balance (eq) = 5.732e-19 + Electrical balance (eq) = 2.591e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 86 - Gamma iterations = 10 + Iterations = 70 + Gamma iterations = 9 Osmotic coefficient = 0.99999 Density of water = 0.89910 - Total H = 1.187336e+02 - Total O = 5.486244e+01 + Total H = 1.187312e+02 + Total O = 5.486121e+01 ----------------------------Distribution of species---------------------------- @@ -4681,10 +4674,10 @@ H2Sg(g) 2.24 1.725e+02 0.630 0.000e+00 4.496e+00 4.496e+00 H+ 6.457e-04 6.193e-04 -3.190 -3.208 -0.018 0.00 OH- 3.889e-08 3.730e-08 -7.410 -7.428 -0.018 (0) H2O 5.551e+01 9.395e-01 1.744 -0.027 0.000 20.04 -H(0) 4.087e-14 - H2 2.043e-14 2.043e-14 -13.690 -13.690 0.000 (0) -O(0) 4.019e-32 - O2 2.010e-32 2.010e-32 -31.697 -31.697 0.000 (0) +H(0) 1.043e-14 + H2 5.216e-15 5.216e-15 -14.283 -14.283 0.000 (0) +O(0) 6.026e-31 + O2 3.013e-31 3.013e-31 -30.521 -30.521 0.000 (0) Sg 4.558e+00 H2Sg 2.370e+00 2.370e+00 0.375 0.375 0.000 49.67 (H2Sg)2 1.093e+00 1.093e+00 0.039 0.039 0.000 17.02 @@ -4694,10 +4687,10 @@ Sg 4.558e+00 Phase SI** log IAP log K(453 K, 197 atm) - H2(g) -10.36 15.82 26.18 H2 + H2(g) -10.95 -10.95 0.00 H2 H2O(g) 0.99 -0.03 -1.02 H2O Pressure 24.9 atm, phi 0.394 H2Sg(g) 2.04 -6.42 -8.45 H2Sg Pressure 172.5 atm, phi 0.630 - O2(g) -28.07 -31.70 -3.63 O2 + O2(g) -26.89 -30.52 -3.63 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4731,7 +4724,7 @@ H2Sg(g) 2.20 1.593e+02 0.705 0.000e+00 4.093e+00 4.093e+00 ----------------------------Description of solution---------------------------- pH = 3.306 Charge balance - pe = 2.147 Adjusted to redox equilibrium + pe = 2.142 Adjusted to redox equilibrium Specific Conductance (µS/cm, 210°C) = 218 Density (g/cm³) = 0.90727 Volume (L) = 1.27799 @@ -4741,14 +4734,14 @@ H2Sg(g) 2.20 1.593e+02 0.705 0.000e+00 4.093e+00 4.093e+00 Total alkalinity (eq/kg) = 4.995e+00 Temperature (°C) = 210.00 Pressure (atm) = 197.40 - Electrical balance (eq) = -6.187e-19 + Electrical balance (eq) = -8.194e-19 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 71 - Gamma iterations = 7 + Iterations = 78 + Gamma iterations = 9 Osmotic coefficient = 1.00000 Density of water = 0.86671 - Total H = 1.188750e+02 - Total O = 5.453050e+01 + Total H = 1.188725e+02 + Total O = 5.452927e+01 ----------------------------Distribution of species---------------------------- @@ -4758,10 +4751,10 @@ H2Sg(g) 2.20 1.593e+02 0.705 0.000e+00 4.093e+00 4.093e+00 H+ 5.153e-04 4.945e-04 -3.288 -3.306 -0.018 0.00 OH- 1.210e-07 1.161e-07 -6.917 -6.935 -0.018 (0) H2O 5.551e+01 9.332e-01 1.744 -0.030 0.000 20.79 -H(0) 1.078e-14 - H2 5.391e-15 5.391e-15 -14.268 -14.268 0.000 (0) -O(0) 4.985e-27 - O2 2.493e-27 2.493e-27 -26.603 -26.603 0.000 (0) +H(0) 1.106e-14 + H2 5.530e-15 5.530e-15 -14.257 -14.257 0.000 (0) +O(0) 4.630e-27 + O2 2.315e-27 2.315e-27 -26.635 -26.635 0.000 (0) Sg 4.995e+00 H2Sg 2.679e+00 2.679e+00 0.428 0.428 0.000 53.26 (H2Sg)2 1.158e+00 1.158e+00 0.064 0.064 0.000 3.77 @@ -4771,10 +4764,10 @@ Sg 4.995e+00 Phase SI** log IAP log K(483 K, 197 atm) - H2(g) -10.91 13.27 24.18 H2 + H2(g) -10.90 -10.90 0.00 H2 H2O(g) 1.25 -0.03 -1.28 H2O Pressure 38.1 atm, phi 0.467 H2Sg(g) 2.05 -6.61 -8.66 H2Sg Pressure 159.3 atm, phi 0.705 - O2(g) -22.89 -26.60 -3.71 O2 + O2(g) -22.92 -26.64 -3.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4808,7 +4801,7 @@ H2Sg(g) 2.15 1.402e+02 0.773 0.000e+00 3.924e+00 3.924e+00 ----------------------------Description of solution---------------------------- pH = 3.429 Charge balance - pe = 2.008 Adjusted to redox equilibrium + pe = 2.034 Adjusted to redox equilibrium Specific Conductance (µS/cm, 240°C) = 188 Density (g/cm³) = 0.87548 Volume (L) = 1.31860 @@ -4818,14 +4811,14 @@ H2Sg(g) 2.15 1.402e+02 0.773 0.000e+00 3.924e+00 3.924e+00 Total alkalinity (eq/kg) = 5.227e+00 Temperature (°C) = 240.00 Pressure (atm) = 197.40 - Electrical balance (eq) = 3.594e-19 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 42 - Gamma iterations = 4 + Electrical balance (eq) = -5.088e-19 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 48 + Gamma iterations = 5 Osmotic coefficient = 1.00000 Density of water = 0.83006 - Total H = 1.179732e+02 - Total O = 5.391036e+01 + Total H = 1.179707e+02 + Total O = 5.390913e+01 ----------------------------Distribution of species---------------------------- @@ -4835,12 +4828,12 @@ H2Sg(g) 2.15 1.402e+02 0.773 0.000e+00 3.924e+00 3.924e+00 H+ 3.878e-04 3.726e-04 -3.411 -3.429 -0.017 0.00 OH- 3.590e-07 3.449e-07 -6.445 -6.462 -0.017 (0) H2O 5.551e+01 9.289e-01 1.744 -0.032 0.000 21.71 -H(0) 1.096e-14 - H2 5.482e-15 5.482e-15 -14.261 -14.261 0.000 (0) -O(0) 1.449e-23 - O2 7.245e-24 7.245e-24 -23.140 -23.140 0.000 (0) +H(0) 9.724e-15 + H2 4.862e-15 4.862e-15 -14.313 -14.313 0.000 (0) +O(0) 1.800e-23 + O2 8.999e-24 8.999e-24 -23.046 -23.046 0.000 (0) Sg 5.227e+00 - H2Sg 2.956e+00 2.956e+00 0.471 0.471 0.000 58.82 + H2Sg 2.956e+00 2.956e+00 0.471 0.471 -0.000 58.82 (H2Sg)2 1.135e+00 1.135e+00 0.055 0.055 0.000 -18.60 HSg- 3.874e-04 3.722e-04 -3.412 -3.429 -0.017 -7.83 @@ -4848,10 +4841,10 @@ Sg 5.227e+00 Phase SI** log IAP log K(513 K, 197 atm) - H2(g) -10.87 11.54 22.41 H2 + H2(g) -10.92 -10.92 0.00 H2 H2O(g) 1.47 -0.03 -1.50 H2O Pressure 57.2 atm, phi 0.517 H2Sg(g) 2.04 -6.86 -8.89 H2Sg Pressure 140.2 atm, phi 0.773 - O2(g) -19.35 -23.14 -3.79 O2 + O2(g) -19.26 -23.05 -3.79 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4885,7 +4878,7 @@ H2Sg(g) 2.06 1.150e+02 0.844 0.000e+00 4.104e+00 4.104e+00 ----------------------------Description of solution---------------------------- pH = 3.572 Charge balance - pe = 1.702 Adjusted to redox equilibrium + pe = 1.821 Adjusted to redox equilibrium Specific Conductance (µS/cm, 270°C) = 152 Density (g/cm³) = 0.83570 Volume (L) = 1.34474 @@ -4895,14 +4888,14 @@ H2Sg(g) 2.06 1.150e+02 0.844 0.000e+00 4.104e+00 4.104e+00 Total alkalinity (eq/kg) = 5.170e+00 Temperature (°C) = 270.00 Pressure (atm) = 197.40 - Electrical balance (eq) = -2.567e-19 + Electrical balance (eq) = -4.936e-19 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 58 - Gamma iterations = 5 + Iterations = 65 + Gamma iterations = 7 Osmotic coefficient = 1.00000 Density of water = 0.78769 - Total H = 1.149359e+02 - Total O = 5.257168e+01 + Total H = 1.149334e+02 + Total O = 5.257044e+01 ----------------------------Distribution of species---------------------------- @@ -4910,12 +4903,12 @@ H2Sg(g) 2.06 1.150e+02 0.844 0.000e+00 4.104e+00 4.104e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 2.782e-04 2.677e-04 -3.556 -3.572 -0.017 0.00 - OH- 1.026e-06 9.876e-07 -5.989 -6.005 -0.017 (0) + OH- 1.026e-06 9.877e-07 -5.989 -6.005 -0.017 (0) H2O 5.551e+01 9.283e-01 1.744 -0.032 0.000 22.88 -H(0) 2.195e-14 - H2 1.097e-14 1.097e-14 -13.960 -13.960 0.000 (0) -O(0) 4.527e-21 - O2 2.264e-21 2.264e-21 -20.645 -20.645 0.000 (0) +H(0) 1.265e-14 + H2 6.325e-15 6.325e-15 -14.199 -14.199 0.000 (0) +O(0) 1.332e-20 + O2 6.658e-21 6.658e-21 -20.177 -20.177 0.000 (0) Sg 5.170e+00 H2Sg 3.091e+00 3.091e+00 0.490 0.490 0.000 68.64 (H2Sg)2 1.040e+00 1.040e+00 0.017 0.017 0.000 -59.94 @@ -4925,10 +4918,10 @@ Sg 5.170e+00 Phase SI** log IAP log K(543 K, 197 atm) - H2(g) -10.55 10.29 20.84 H2 + H2(g) -10.79 -10.79 0.00 H2 H2O(g) 1.66 -0.03 -1.69 H2O Pressure 82.4 atm, phi 0.552 H2Sg(g) 1.99 -7.15 -9.13 H2Sg Pressure 115.0 atm, phi 0.844 - O2(g) -16.79 -20.65 -3.86 O2 + O2(g) -16.32 -20.18 -3.86 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -4962,24 +4955,24 @@ H2Sg(g) 1.92 8.381e+01 0.928 0.000e+00 4.865e+00 4.865e+00 ----------------------------Description of solution---------------------------- pH = 3.728 Charge balance - pe = 1.543 Adjusted to redox equilibrium + pe = 1.595 Adjusted to redox equilibrium Specific Conductance (µS/cm, 300°C) = 119 Density (g/cm³) = 0.79064 - Volume (L) = 1.30331 + Volume (L) = 1.30330 Activity of water = 0.934 Ionic strength (mol/kgw) = 1.940e-04 Mass of water (kg) = 8.812e-01 Total alkalinity (eq/kg) = 4.692e+00 Temperature (°C) = 300.00 Pressure (atm) = 197.40 - Electrical balance (eq) = 3.600e-20 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 59 - Gamma iterations = 6 + Electrical balance (eq) = -1.529e-19 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 68 + Gamma iterations = 8 Osmotic coefficient = 1.00000 Density of water = 0.73605 - Total H = 1.061001e+02 - Total O = 4.891539e+01 + Total H = 1.060975e+02 + Total O = 4.891414e+01 ----------------------------Distribution of species---------------------------- @@ -4989,10 +4982,10 @@ H2Sg(g) 1.92 8.381e+01 0.928 0.000e+00 4.865e+00 4.865e+00 H+ 1.940e-04 1.869e-04 -3.712 -3.728 -0.016 0.00 OH- 2.826e-06 2.723e-06 -5.549 -5.565 -0.016 (0) H2O 5.551e+01 9.342e-01 1.744 -0.030 0.000 24.50 -H(0) 2.110e-14 - H2 1.055e-14 1.055e-14 -13.977 -13.977 0.000 (0) -O(0) 2.957e-18 - O2 1.479e-18 1.479e-18 -17.830 -17.830 0.000 (0) +H(0) 1.660e-14 + H2 8.302e-15 8.302e-15 -14.081 -14.081 0.000 (0) +O(0) 4.667e-18 + O2 2.334e-18 2.334e-18 -17.632 -17.632 0.000 (0) Sg 4.692e+00 H2Sg 2.859e+00 2.859e+00 0.456 0.456 0.000 89.24 (H2Sg)2 9.163e-01 9.163e-01 -0.038 -0.038 0.000 -148.71 @@ -5002,10 +4995,10 @@ Sg 4.692e+00 Phase SI** log IAP log K(573 K, 197 atm) - H2(g) -10.54 8.89 19.43 H2 + H2(g) -10.65 -10.65 0.00 H2 H2O(g) 1.82 -0.03 -1.85 H2O Pressure 113.6 atm, phi 0.581 H2Sg(g) 1.89 -7.46 -9.35 H2Sg Pressure 83.8 atm, phi 0.928 - O2(g) -13.91 -17.83 -3.92 O2 + O2(g) -13.71 -17.63 -3.92 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5062,7 +5055,7 @@ H2Sg(g) 2.39 2.444e+02 0.108 0.000e+00 6.872e+00 6.872e+00 ----------------------------Description of solution---------------------------- pH = 3.297 Charge balance - pe = 2.282 Adjusted to redox equilibrium + pe = 14.648 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 36 Density (g/cm³) = 1.01492 Volume (L) = 1.05985 @@ -5072,14 +5065,14 @@ H2Sg(g) 2.39 2.444e+02 0.108 0.000e+00 6.872e+00 6.872e+00 Total alkalinity (eq/kg) = 2.131e+00 Temperature (°C) = 30.00 Pressure (atm) = 246.70 - Electrical balance (eq) = 4.357e-16 + Electrical balance (eq) = 4.373e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 50 + Iterations = 43 Gamma iterations = 5 Osmotic coefficient = 1.00000 Density of water = 1.00640 - Total H = 1.151482e+02 - Total O = 5.544599e+01 + Total H = 1.151458e+02 + Total O = 5.544476e+01 ----------------------------Distribution of species---------------------------- @@ -5087,12 +5080,12 @@ H2Sg(g) 2.39 2.444e+02 0.108 0.000e+00 6.872e+00 6.872e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 5.176e-04 5.044e-04 -3.286 -3.297 -0.011 0.00 - OH- 3.400e-11 3.314e-11 -10.468 -10.480 -0.011 (0) + OH- 3.401e-11 3.314e-11 -10.468 -10.480 -0.011 (0) H2O 5.551e+01 9.662e-01 1.744 -0.015 0.000 17.90 -H(0) 1.122e-14 - H2 5.609e-15 5.609e-15 -14.251 -14.251 0.000 (0) -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.921 -61.921 0.000 (0) +H(0) 2.086e-39 + H2 1.043e-39 1.043e-39 -38.982 -38.982 0.000 (0) +O(0) 6.769e-13 + O2 3.385e-13 3.385e-13 -12.470 -12.470 0.000 (0) Sg 2.131e+00 H2Sg 1.682e+00 1.682e+00 0.226 0.226 0.000 34.71 (H2Sg)2 2.241e-01 2.241e-01 -0.650 -0.650 0.000 40.38 @@ -5102,10 +5095,10 @@ Sg 2.131e+00 Phase SI** log IAP log K(303 K, 247 atm) - H2(g) -11.16 30.95 42.10 H2 + H2(g) -35.89 -35.89 0.00 H2 H2O(g) -1.31 -0.01 1.30 H2O Pressure 2.3 atm, phi 0.021 H2Sg(g) 1.42 -6.59 -8.02 H2Sg Pressure 244.4 atm, phi 0.108 - O2(g) -58.99 -61.92 -2.94 O2 + O2(g) -9.54 -12.47 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5139,7 +5132,7 @@ H2Sg(g) 2.38 2.422e+02 0.184 0.000e+00 6.690e+00 6.690e+00 ----------------------------Description of solution---------------------------- pH = 3.176 Charge balance - pe = 2.218 Adjusted to redox equilibrium + pe = 2.226 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 82 Density (g/cm³) = 1.00110 Volume (L) = 1.07992 @@ -5149,14 +5142,14 @@ H2Sg(g) 2.38 2.422e+02 0.184 0.000e+00 6.690e+00 6.690e+00 Total alkalinity (eq/kg) = 2.315e+00 Temperature (°C) = 60.00 Pressure (atm) = 246.70 - Electrical balance (eq) = 4.555e-14 + Electrical balance (eq) = 1.101e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 40 - Gamma iterations = 6 + Iterations = 36 + Gamma iterations = 5 Osmotic coefficient = 0.99999 Density of water = 0.99371 - Total H = 1.153876e+02 - Total O = 5.538426e+01 + Total H = 1.153851e+02 + Total O = 5.538302e+01 ----------------------------Distribution of species---------------------------- @@ -5166,10 +5159,10 @@ H2Sg(g) 2.38 2.422e+02 0.184 0.000e+00 6.690e+00 6.690e+00 H+ 6.878e-04 6.666e-04 -3.163 -3.176 -0.014 0.00 OH- 1.873e-10 1.815e-10 -9.727 -9.741 -0.014 (0) H2O 5.551e+01 9.655e-01 1.744 -0.015 0.000 18.13 -H(0) 2.263e-14 - H2 1.132e-14 1.132e-14 -13.946 -13.946 0.000 (0) +H(0) 2.187e-14 + H2 1.093e-14 1.093e-14 -13.961 -13.961 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.992 -53.992 0.000 (0) + O2 0.000e+00 0.000e+00 -53.973 -53.973 0.000 (0) Sg 2.315e+00 H2Sg 1.581e+00 1.581e+00 0.199 0.199 0.000 39.09 (H2Sg)2 3.666e-01 3.666e-01 -0.436 -0.436 0.000 38.80 @@ -5179,10 +5172,10 @@ Sg 2.315e+00 Phase SI** log IAP log K(333 K, 247 atm) - H2(g) -10.79 26.98 37.77 H2 + H2(g) -10.80 -10.80 0.00 H2 H2O(g) -0.65 -0.02 0.64 H2O Pressure 4.5 atm, phi 0.049 H2Sg(g) 1.65 -6.35 -8.00 H2Sg Pressure 242.2 atm, phi 0.184 - O2(g) -50.87 -53.99 -3.12 O2 + O2(g) -50.85 -53.97 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5216,7 +5209,7 @@ H2Sg(g) 2.38 2.385e+02 0.277 0.000e+00 6.209e+00 6.209e+00 ----------------------------Description of solution---------------------------- pH = 3.113 Charge balance - pe = 11.684 Adjusted to redox equilibrium + pe = 2.414 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 140 Density (g/cm³) = 0.98793 Volume (L) = 1.11029 @@ -5226,14 +5219,14 @@ H2Sg(g) 2.38 2.385e+02 0.277 0.000e+00 6.209e+00 6.209e+00 Total alkalinity (eq/kg) = 2.802e+00 Temperature (°C) = 90.00 Pressure (atm) = 246.70 - Electrical balance (eq) = 1.540e-15 + Electrical balance (eq) = 2.182e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 49 - Gamma iterations = 9 + Iterations = 103 + Gamma iterations = 7 Osmotic coefficient = 0.99999 Density of water = 0.97639 - Total H = 1.161743e+02 - Total O = 5.529635e+01 + Total H = 1.161718e+02 + Total O = 5.529512e+01 ----------------------------Distribution of species---------------------------- @@ -5243,10 +5236,10 @@ H2Sg(g) 2.38 2.385e+02 0.277 0.000e+00 6.209e+00 6.209e+00 H+ 7.990e-04 7.708e-04 -3.097 -3.113 -0.016 0.00 OH- 8.462e-10 8.163e-10 -9.073 -9.088 -0.016 (0) H2O 5.551e+01 9.606e-01 1.744 -0.017 0.000 18.45 -H(0) 3.131e-33 - H2 1.566e-33 1.566e-33 -32.805 -32.805 0.000 (0) -O(0) 1.416e-09 - O2 7.080e-10 7.080e-10 -9.150 -9.150 0.000 (0) +H(0) 1.084e-14 + H2 5.419e-15 5.419e-15 -14.266 -14.266 0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -46.239 -46.239 0.000 (0) Sg 2.802e+00 H2Sg 1.664e+00 1.664e+00 0.221 0.221 0.000 41.87 (H2Sg)2 5.684e-01 5.684e-01 -0.245 -0.245 0.000 36.42 @@ -5256,10 +5249,10 @@ Sg 2.802e+00 Phase SI** log IAP log K(363 K, 247 atm) - H2(g) -29.59 4.56 34.15 H2 + H2(g) -11.05 -11.05 0.00 H2 H2O(g) -0.12 -0.02 0.10 H2O Pressure 8.2 atm, phi 0.093 H2Sg(g) 1.82 -6.23 -8.05 H2Sg Pressure 238.5 atm, phi 0.277 - O2(g) -5.87 -9.15 -3.28 O2 + O2(g) -42.96 -46.24 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5293,7 +5286,7 @@ H2Sg(g) 2.37 2.331e+02 0.380 0.000e+00 5.508e+00 5.508e+00 ----------------------------Description of solution---------------------------- pH = 3.098 Charge balance - pe = 2.259 Adjusted to redox equilibrium + pe = 2.358 Adjusted to redox equilibrium Specific Conductance (µS/cm, 120°C) = 195 Density (g/cm³) = 0.97444 Volume (L) = 1.14963 @@ -5303,14 +5296,14 @@ H2Sg(g) 2.37 2.331e+02 0.380 0.000e+00 5.508e+00 5.508e+00 Total alkalinity (eq/kg) = 3.513e+00 Temperature (°C) = 120.00 Pressure (atm) = 246.70 - Electrical balance (eq) = 7.946e-16 + Electrical balance (eq) = 2.220e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 113 - Gamma iterations = 13 + Iterations = 59 + Gamma iterations = 7 Osmotic coefficient = 0.99999 Density of water = 0.95518 - Total H = 1.173593e+02 - Total O = 5.518739e+01 + Total H = 1.173568e+02 + Total O = 5.518615e+01 ----------------------------Distribution of species---------------------------- @@ -5320,10 +5313,10 @@ H2Sg(g) 2.37 2.331e+02 0.380 0.000e+00 5.508e+00 5.508e+00 H+ 8.298e-04 7.977e-04 -3.081 -3.098 -0.017 0.00 OH- 3.307e-09 3.179e-09 -8.481 -8.498 -0.017 (0) H2O 5.551e+01 9.527e-01 1.744 -0.021 0.000 18.86 -H(0) 2.136e-14 - H2 1.068e-14 1.068e-14 -13.971 -13.971 0.000 (0) +H(0) 1.349e-14 + H2 6.745e-15 6.745e-15 -14.171 -14.171 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -40.784 -40.784 0.000 (0) + O2 0.000e+00 0.000e+00 -40.394 -40.394 0.000 (0) Sg 3.513e+00 H2Sg 1.867e+00 1.867e+00 0.271 0.271 -0.000 44.10 (H2Sg)2 8.225e-01 8.225e-01 -0.085 -0.085 0.000 32.91 @@ -5333,10 +5326,10 @@ Sg 3.513e+00 Phase SI** log IAP log K(393 K, 247 atm) - H2(g) -10.71 20.37 31.08 H2 + H2(g) -10.91 -10.91 0.00 H2 H2O(g) 0.33 -0.02 -0.35 H2O Pressure 13.6 atm, phi 0.155 H2Sg(g) 1.95 -6.20 -8.14 H2Sg Pressure 233.1 atm, phi 0.380 - O2(g) -37.37 -40.78 -3.41 O2 + O2(g) -36.98 -40.39 -3.41 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5370,7 +5363,7 @@ H2Sg(g) 2.35 2.254e+02 0.482 0.000e+00 4.671e+00 4.671e+00 ----------------------------Description of solution---------------------------- pH = 3.124 Charge balance - pe = 2.217 Adjusted to redox equilibrium + pe = 2.335 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 233 Density (g/cm³) = 0.96024 Volume (L) = 1.19584 @@ -5380,14 +5373,14 @@ H2Sg(g) 2.35 2.254e+02 0.482 0.000e+00 4.671e+00 4.671e+00 Total alkalinity (eq/kg) = 4.364e+00 Temperature (°C) = 150.00 Pressure (atm) = 246.70 - Electrical balance (eq) = 8.236e-19 + Electrical balance (eq) = 4.202e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 46 - Gamma iterations = 6 + Iterations = 68 + Gamma iterations = 8 Osmotic coefficient = 0.99999 Density of water = 0.93038 - Total H = 1.187933e+02 - Total O = 5.506781e+01 + Total H = 1.187908e+02 + Total O = 5.506658e+01 ----------------------------Distribution of species---------------------------- @@ -5397,10 +5390,10 @@ H2Sg(g) 2.35 2.254e+02 0.482 0.000e+00 4.671e+00 4.671e+00 H+ 7.837e-04 7.517e-04 -3.106 -3.124 -0.018 0.00 OH- 1.160e-08 1.113e-08 -7.935 -7.954 -0.018 (0) H2O 5.551e+01 9.429e-01 1.744 -0.026 0.000 19.36 -H(0) 2.095e-14 - H2 1.048e-14 1.048e-14 -13.980 -13.980 0.000 (0) -O(0) 5.138e-36 - O2 2.569e-36 2.569e-36 -35.590 -35.590 0.000 (0) +H(0) 1.218e-14 + H2 6.092e-15 6.092e-15 -14.215 -14.215 0.000 (0) +O(0) 1.484e-35 + O2 7.422e-36 7.422e-36 -35.129 -35.129 0.000 (0) Sg 4.364e+00 H2Sg 2.164e+00 2.164e+00 0.335 0.335 0.000 46.28 (H2Sg)2 1.100e+00 1.100e+00 0.041 0.041 0.000 27.68 @@ -5410,10 +5403,10 @@ Sg 4.364e+00 Phase SI** log IAP log K(423 K, 247 atm) - H2(g) -10.68 17.77 28.45 H2 + H2(g) -10.92 -10.92 0.00 H2 H2O(g) 0.69 -0.03 -0.72 H2O Pressure 21.3 atm, phi 0.231 H2Sg(g) 2.04 -6.25 -8.28 H2Sg Pressure 225.4 atm, phi 0.482 - O2(g) -32.06 -35.59 -3.53 O2 + O2(g) -31.60 -35.13 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5447,7 +5440,7 @@ H2Sg(g) 2.33 2.147e+02 0.575 0.000e+00 3.813e+00 3.813e+00 ----------------------------Description of solution---------------------------- pH = 3.184 Charge balance - pe = 2.201 Adjusted to redox equilibrium + pe = 2.282 Adjusted to redox equilibrium Specific Conductance (µS/cm, 180°C) = 245 Density (g/cm³) = 0.94457 Volume (L) = 1.24607 @@ -5457,14 +5450,14 @@ H2Sg(g) 2.33 2.147e+02 0.575 0.000e+00 3.813e+00 3.813e+00 Total alkalinity (eq/kg) = 5.241e+00 Temperature (°C) = 180.00 Pressure (atm) = 246.70 - Electrical balance (eq) = -7.106e-19 + Electrical balance (eq) = -9.943e-20 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 41 - Gamma iterations = 4 + Iterations = 83 + Gamma iterations = 6 Osmotic coefficient = 1.00000 Density of water = 0.90210 - Total H = 1.202565e+02 - Total O = 5.494080e+01 + Total H = 1.202541e+02 + Total O = 5.493957e+01 ----------------------------Distribution of species---------------------------- @@ -5474,10 +5467,10 @@ H2Sg(g) 2.33 2.147e+02 0.575 0.000e+00 3.813e+00 3.813e+00 H+ 6.825e-04 6.540e-04 -3.166 -3.184 -0.019 0.00 OH- 3.754e-08 3.598e-08 -7.425 -7.444 -0.019 (0) H2O 5.551e+01 9.323e-01 1.744 -0.030 0.000 19.97 -H(0) 1.579e-14 - H2 7.895e-15 7.895e-15 -14.103 -14.103 0.000 (0) -O(0) 2.794e-31 - O2 1.397e-31 1.397e-31 -30.855 -30.855 0.000 (0) +H(0) 1.089e-14 + H2 5.443e-15 5.443e-15 -14.264 -14.264 0.000 (0) +O(0) 5.742e-31 + O2 2.871e-31 2.871e-31 -30.542 -30.542 0.000 (0) Sg 5.241e+00 H2Sg 2.533e+00 2.533e+00 0.404 0.404 0.000 48.83 (H2Sg)2 1.354e+00 1.354e+00 0.131 0.131 0.000 19.73 @@ -5487,10 +5480,10 @@ Sg 5.241e+00 Phase SI** log IAP log K(453 K, 247 atm) - H2(g) -10.77 15.40 26.17 H2 + H2(g) -10.93 -10.93 0.00 H2 H2O(g) 1.00 -0.03 -1.03 H2O Pressure 32.0 atm, phi 0.311 H2Sg(g) 2.09 -6.37 -8.46 H2Sg Pressure 214.7 atm, phi 0.575 - O2(g) -27.23 -30.85 -3.63 O2 + O2(g) -26.91 -30.54 -3.63 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5524,7 +5517,7 @@ H2Sg(g) 2.30 1.995e+02 0.658 0.000e+00 3.042e+00 3.042e+00 ----------------------------Description of solution---------------------------- pH = 3.274 Charge balance - pe = 2.138 Adjusted to redox equilibrium + pe = 2.181 Adjusted to redox equilibrium Specific Conductance (µS/cm, 210°C) = 233 Density (g/cm³) = 0.92658 Volume (L) = 1.29734 @@ -5534,14 +5527,14 @@ H2Sg(g) 2.30 1.995e+02 0.658 0.000e+00 3.042e+00 3.042e+00 Total alkalinity (eq/kg) = 6.036e+00 Temperature (°C) = 210.00 Pressure (atm) = 246.70 - Electrical balance (eq) = 5.698e-19 + Electrical balance (eq) = 3.452e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 83 + Iterations = 73 Gamma iterations = 9 Osmotic coefficient = 1.00000 Density of water = 0.87028 - Total H = 1.214963e+02 - Total O = 5.479026e+01 + Total H = 1.214938e+02 + Total O = 5.478903e+01 ----------------------------Distribution of species---------------------------- @@ -5551,10 +5544,10 @@ H2Sg(g) 2.30 1.995e+02 0.658 0.000e+00 3.042e+00 3.042e+00 H+ 5.551e-04 5.320e-04 -3.256 -3.274 -0.018 0.00 OH- 1.141e-07 1.094e-07 -6.943 -6.961 -0.018 (0) H2O 5.551e+01 9.222e-01 1.744 -0.035 0.000 20.70 -H(0) 1.306e-14 - H2 6.530e-15 6.530e-15 -14.185 -14.185 0.000 (0) -O(0) 3.491e-27 - O2 1.746e-27 1.746e-27 -26.758 -26.758 0.000 (0) +H(0) 1.071e-14 + H2 5.355e-15 5.355e-15 -14.271 -14.271 0.000 (0) +O(0) 5.072e-27 + O2 2.536e-27 2.536e-27 -26.596 -26.596 0.000 (0) Sg 6.036e+00 H2Sg 2.950e+00 2.950e+00 0.470 0.470 0.000 52.24 (H2Sg)2 1.543e+00 1.543e+00 0.188 0.188 0.000 7.20 @@ -5564,10 +5557,10 @@ Sg 6.036e+00 Phase SI** log IAP log K(483 K, 247 atm) - H2(g) -10.82 13.34 24.17 H2 + H2(g) -10.91 -10.91 0.00 H2 H2O(g) 1.26 -0.04 -1.29 H2O Pressure 47.2 atm, phi 0.382 H2Sg(g) 2.12 -6.55 -8.67 H2Sg Pressure 199.5 atm, phi 0.658 - O2(g) -23.04 -26.76 -3.71 O2 + O2(g) -22.88 -26.60 -3.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5601,7 +5594,7 @@ H2Sg(g) 2.25 1.787e+02 0.735 0.000e+00 2.441e+00 2.441e+00 ----------------------------Description of solution---------------------------- pH = 3.387 Charge balance - pe = 2.025 Adjusted to redox equilibrium + pe = 1.905 Adjusted to redox equilibrium Specific Conductance (µS/cm, 240°C) = 205 Density (g/cm³) = 0.90607 Volume (L) = 1.34646 @@ -5611,14 +5604,14 @@ H2Sg(g) 2.25 1.787e+02 0.735 0.000e+00 2.441e+00 2.441e+00 Total alkalinity (eq/kg) = 6.670e+00 Temperature (°C) = 240.00 Pressure (atm) = 246.70 - Electrical balance (eq) = 2.318e-19 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 63 - Gamma iterations = 7 + Electrical balance (eq) = -1.262e-19 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 95 + Gamma iterations = 11 Osmotic coefficient = 1.00000 Density of water = 0.83449 - Total H = 1.222776e+02 - Total O = 5.458017e+01 + Total H = 1.222752e+02 + Total O = 5.457894e+01 ----------------------------Distribution of species---------------------------- @@ -5628,10 +5621,10 @@ H2Sg(g) 2.25 1.787e+02 0.735 0.000e+00 2.441e+00 2.441e+00 H+ 4.272e-04 4.098e-04 -3.369 -3.387 -0.018 0.00 OH- 3.295e-07 3.161e-07 -6.482 -6.500 -0.018 (0) H2O 5.551e+01 9.135e-01 1.744 -0.039 0.000 21.59 -H(0) 1.222e-14 - H2 6.109e-15 6.109e-15 -14.214 -14.214 0.000 (0) -O(0) 1.186e-23 - O2 5.929e-24 5.929e-24 -23.227 -23.227 0.000 (0) +H(0) 2.123e-14 + H2 1.062e-14 1.062e-14 -13.974 -13.974 0.000 (0) +O(0) 3.837e-24 + O2 1.918e-24 1.918e-24 -23.717 -23.717 0.000 (0) Sg 6.670e+00 H2Sg 3.367e+00 3.367e+00 0.527 0.527 0.000 57.44 (H2Sg)2 1.651e+00 1.651e+00 0.218 0.218 0.000 -13.62 @@ -5641,10 +5634,10 @@ Sg 6.670e+00 Phase SI** log IAP log K(513 K, 247 atm) - H2(g) -10.83 11.57 22.40 H2 + H2(g) -10.59 -10.59 0.00 H2 H2O(g) 1.47 -0.04 -1.51 H2O Pressure 68.0 atm, phi 0.437 H2Sg(g) 2.12 -6.78 -8.89 H2Sg Pressure 178.7 atm, phi 0.735 - O2(g) -19.44 -23.23 -3.79 O2 + O2(g) -19.93 -23.72 -3.79 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5678,7 +5671,7 @@ H2Sg(g) 2.18 1.518e+02 0.812 0.000e+00 2.073e+00 2.073e+00 ----------------------------Description of solution---------------------------- pH = 3.518 Charge balance - pe = 1.848 Adjusted to redox equilibrium + pe = 1.889 Adjusted to redox equilibrium Specific Conductance (µS/cm, 270°C) = 171 Density (g/cm³) = 0.88594 Volume (L) = 1.38461 @@ -5688,14 +5681,14 @@ H2Sg(g) 2.18 1.518e+02 0.812 0.000e+00 2.073e+00 2.073e+00 Total alkalinity (eq/kg) = 7.093e+00 Temperature (°C) = 270.00 Pressure (atm) = 246.70 - Electrical balance (eq) = -2.714e-19 + Electrical balance (eq) = -3.062e-19 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 46 - Gamma iterations = 5 + Iterations = 110 + Gamma iterations = 15 Osmotic coefficient = 1.00000 Density of water = 0.79351 - Total H = 1.222805e+02 - Total O = 5.421303e+01 + Total H = 1.222781e+02 + Total O = 5.421179e+01 ----------------------------Distribution of species---------------------------- @@ -5703,12 +5696,12 @@ H2Sg(g) 2.18 1.518e+02 0.812 0.000e+00 2.073e+00 2.073e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 3.159e-04 3.035e-04 -3.500 -3.518 -0.018 0.00 - OH- 9.085e-07 8.726e-07 -6.042 -6.059 -0.018 (0) + OH- 9.086e-07 8.727e-07 -6.042 -6.059 -0.018 (0) H2O 5.551e+01 9.075e-01 1.744 -0.042 0.000 22.71 -H(0) 1.440e-14 - H2 7.199e-15 7.199e-15 -14.143 -14.143 0.000 (0) -O(0) 1.055e-20 - O2 5.277e-21 5.277e-21 -20.278 -20.278 0.000 (0) +H(0) 1.188e-14 + H2 5.938e-15 5.938e-15 -14.226 -14.226 0.000 (0) +O(0) 1.516e-20 + O2 7.578e-21 7.578e-21 -20.120 -20.120 0.000 (0) Sg 7.093e+00 H2Sg 3.682e+00 3.682e+00 0.566 0.566 0.000 66.37 (H2Sg)2 1.705e+00 1.705e+00 0.232 0.232 0.000 -51.13 @@ -5718,10 +5711,10 @@ Sg 7.093e+00 Phase SI** log IAP log K(543 K, 247 atm) - H2(g) -10.73 10.10 20.83 H2 + H2(g) -10.81 -10.81 0.00 H2 H2O(g) 1.66 -0.04 -1.70 H2O Pressure 94.9 atm, phi 0.480 H2Sg(g) 2.09 -7.04 -9.13 H2Sg Pressure 151.8 atm, phi 0.812 - O2(g) -16.42 -20.28 -3.86 O2 + O2(g) -16.26 -20.12 -3.86 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5755,24 +5748,24 @@ H2Sg(g) 2.08 1.193e+02 0.899 0.000e+00 1.929e+00 1.929e+00 ----------------------------Description of solution---------------------------- pH = 3.653 Charge balance - pe = 1.703 Adjusted to redox equilibrium + pe = 1.725 Adjusted to redox equilibrium Specific Conductance (µS/cm, 300°C) = 140 Density (g/cm³) = 0.89065 - Volume (L) = 1.36771 + Volume (L) = 1.36770 Activity of water = 0.905 Ionic strength (mol/kgw) = 2.313e-04 Mass of water (kg) = 9.629e-01 Total alkalinity (eq/kg) = 7.343e+00 Temperature (°C) = 300.00 Pressure (atm) = 246.70 - Electrical balance (eq) = -1.673e-19 + Electrical balance (eq) = -1.660e-19 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 42 - Gamma iterations = 4 + Iterations = 139 + Gamma iterations = 18 Osmotic coefficient = 1.00000 Density of water = 0.74417 - Total H = 1.210447e+02 - Total O = 5.345143e+01 + Total H = 1.210422e+02 + Total O = 5.345019e+01 ----------------------------Distribution of species---------------------------- @@ -5782,10 +5775,10 @@ H2Sg(g) 2.08 1.193e+02 0.899 0.000e+00 1.929e+00 1.929e+00 H+ 2.313e-04 2.223e-04 -3.636 -3.653 -0.017 0.00 OH- 2.365e-06 2.273e-06 -5.626 -5.643 -0.017 (0) H2O 5.551e+01 9.054e-01 1.744 -0.043 0.000 24.22 -H(0) 1.429e-14 - H2 7.147e-15 7.147e-15 -14.146 -14.146 0.000 (0) -O(0) 6.355e-18 - O2 3.177e-18 3.177e-18 -17.498 -17.498 0.000 (0) +H(0) 1.294e-14 + H2 6.471e-15 6.471e-15 -14.189 -14.189 0.000 (0) +O(0) 7.575e-18 + O2 3.787e-18 3.787e-18 -17.422 -17.422 0.000 (0) Sg 7.343e+00 H2Sg 3.684e+00 3.684e+00 0.566 0.566 0.000 84.30 (H2Sg)2 1.830e+00 1.830e+00 0.262 0.262 0.000 -128.26 @@ -5795,10 +5788,10 @@ Sg 7.343e+00 Phase SI** log IAP log K(573 K, 247 atm) - H2(g) -10.71 8.71 19.42 H2 + H2(g) -10.76 -10.76 0.00 H2 H2O(g) 1.82 -0.04 -1.86 H2O Pressure 127.4 atm, phi 0.514 H2Sg(g) 2.03 -7.31 -9.34 H2Sg Pressure 119.3 atm, phi 0.899 - O2(g) -13.58 -17.50 -3.92 O2 + O2(g) -13.50 -17.42 -3.92 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5855,24 +5848,24 @@ H2Sg(g) 2.47 2.934e+02 0.097 0.000e+00 6.826e+00 6.826e+00 ----------------------------Description of solution---------------------------- pH = 3.290 Charge balance - pe = 2.219 Adjusted to redox equilibrium + pe = 2.284 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 37 Density (g/cm³) = 1.01765 - Volume (L) = 1.05864 + Volume (L) = 1.05863 Activity of water = 0.966 Ionic strength (mol/kgw) = 5.267e-04 Mass of water (kg) = 9.989e-01 Total alkalinity (eq/kg) = 2.176e+00 Temperature (°C) = 30.00 Pressure (atm) = 296.10 - Electrical balance (eq) = 4.217e-16 + Electrical balance (eq) = 2.280e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 52 - Gamma iterations = 5 + Iterations = 117 + Gamma iterations = 6 Osmotic coefficient = 1.00000 Density of water = 1.00852 - Total H = 1.152405e+02 - Total O = 5.544663e+01 + Total H = 1.152380e+02 + Total O = 5.544540e+01 ----------------------------Distribution of species---------------------------- @@ -5882,10 +5875,10 @@ H2Sg(g) 2.47 2.934e+02 0.097 0.000e+00 6.826e+00 6.826e+00 H+ 5.267e-04 5.133e-04 -3.278 -3.290 -0.011 0.00 OH- 3.460e-11 3.371e-11 -10.461 -10.472 -0.011 (0) H2O 5.551e+01 9.656e-01 1.744 -0.015 0.000 17.86 -H(0) 1.558e-14 - H2 7.789e-15 7.789e-15 -14.109 -14.109 0.000 (0) +H(0) 1.154e-14 + H2 5.768e-15 5.768e-15 -14.239 -14.239 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.176 -62.176 0.000 (0) + O2 0.000e+00 0.000e+00 -61.926 -61.926 0.000 (0) Sg 2.176e+00 H2Sg 1.704e+00 1.704e+00 0.232 0.232 0.000 34.22 (H2Sg)2 2.356e-01 2.356e-01 -0.628 -0.628 0.000 42.27 @@ -5895,10 +5888,10 @@ Sg 2.176e+00 Phase SI** log IAP log K(303 K, 296 atm) - H2(g) -11.02 31.07 42.09 H2 + H2(g) -11.15 -11.15 0.00 H2 H2O(g) -1.30 -0.02 1.28 H2O Pressure 2.7 atm, phi 0.018 H2Sg(g) 1.46 -6.58 -8.04 H2Sg Pressure 293.4 atm, phi 0.097 - O2(g) -59.24 -62.18 -2.94 O2 + O2(g) -58.99 -61.93 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -5932,7 +5925,7 @@ H2Sg(g) 2.46 2.906e+02 0.165 0.000e+00 6.627e+00 6.627e+00 ----------------------------Description of solution---------------------------- pH = 3.168 Charge balance - pe = 2.237 Adjusted to redox equilibrium + pe = 2.265 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 83 Density (g/cm³) = 1.00381 Volume (L) = 1.07930 @@ -5942,14 +5935,14 @@ H2Sg(g) 2.46 2.906e+02 0.165 0.000e+00 6.627e+00 6.627e+00 Total alkalinity (eq/kg) = 2.378e+00 Temperature (°C) = 60.00 Pressure (atm) = 296.10 - Electrical balance (eq) = 1.057e-15 + Electrical balance (eq) = 6.202e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 49 - Gamma iterations = 5 + Iterations = 52 + Gamma iterations = 7 Osmotic coefficient = 0.99999 Density of water = 0.99576 - Total H = 1.155172e+02 - Total O = 5.538555e+01 + Total H = 1.155147e+02 + Total O = 5.538432e+01 ----------------------------Distribution of species---------------------------- @@ -5959,10 +5952,10 @@ H2Sg(g) 2.46 2.906e+02 0.165 0.000e+00 6.627e+00 6.627e+00 H+ 7.010e-04 6.792e-04 -3.154 -3.168 -0.014 0.00 OH- 1.898e-10 1.839e-10 -9.722 -9.735 -0.014 (0) H2O 5.551e+01 9.648e-01 1.744 -0.016 0.000 18.09 -H(0) 2.158e-14 - H2 1.079e-14 1.079e-14 -13.967 -13.967 0.000 (0) +H(0) 1.896e-14 + H2 9.482e-15 9.482e-15 -14.023 -14.023 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.924 -53.924 0.000 (0) + O2 0.000e+00 0.000e+00 -53.822 -53.822 0.000 (0) Sg 2.378e+00 H2Sg 1.599e+00 1.599e+00 0.204 0.204 0.000 38.52 (H2Sg)2 3.894e-01 3.894e-01 -0.410 -0.410 0.000 40.73 @@ -5972,10 +5965,10 @@ Sg 2.378e+00 Phase SI** log IAP log K(333 K, 296 atm) - H2(g) -10.81 26.95 37.76 H2 + H2(g) -10.87 -10.87 0.00 H2 H2O(g) -0.64 -0.02 0.62 H2O Pressure 5.5 atm, phi 0.042 H2Sg(g) 1.68 -6.34 -8.02 H2Sg Pressure 290.6 atm, phi 0.165 - O2(g) -50.80 -53.92 -3.12 O2 + O2(g) -50.70 -53.82 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6009,7 +6002,7 @@ H2Sg(g) 2.46 2.862e+02 0.249 0.000e+00 6.097e+00 6.097e+00 ----------------------------Description of solution---------------------------- pH = 3.104 Charge balance - pe = 2.273 Adjusted to redox equilibrium + pe = 2.287 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 142 Density (g/cm³) = 0.99107 Volume (L) = 1.11090 @@ -6019,14 +6012,14 @@ H2Sg(g) 2.46 2.862e+02 0.249 0.000e+00 6.097e+00 6.097e+00 Total alkalinity (eq/kg) = 2.914e+00 Temperature (°C) = 90.00 Pressure (atm) = 296.10 - Electrical balance (eq) = 1.090e-15 + Electrical balance (eq) = 1.094e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 40 + Iterations = 48 Gamma iterations = 6 Osmotic coefficient = 0.99999 Density of water = 0.97852 - Total H = 1.164042e+02 - Total O = 5.529950e+01 + Total H = 1.164017e+02 + Total O = 5.529827e+01 ----------------------------Distribution of species---------------------------- @@ -6036,10 +6029,10 @@ H2Sg(g) 2.46 2.862e+02 0.249 0.000e+00 6.097e+00 6.097e+00 H+ 8.168e-04 7.877e-04 -3.088 -3.104 -0.016 0.00 OH- 8.526e-10 8.223e-10 -9.069 -9.085 -0.016 (0) H2O 5.551e+01 9.594e-01 1.744 -0.018 0.000 18.41 -H(0) 2.171e-14 - H2 1.085e-14 1.085e-14 -13.964 -13.964 0.000 (0) +H(0) 2.029e-14 + H2 1.014e-14 1.014e-14 -13.994 -13.994 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.807 -46.807 0.000 (0) + O2 0.000e+00 0.000e+00 -46.758 -46.758 0.000 (0) Sg 2.914e+00 H2Sg 1.688e+00 1.688e+00 0.227 0.227 0.000 41.25 (H2Sg)2 6.126e-01 6.126e-01 -0.213 -0.213 0.000 38.41 @@ -6049,10 +6042,10 @@ Sg 2.914e+00 Phase SI** log IAP log K(363 K, 296 atm) - H2(g) -10.75 23.39 34.14 H2 + H2(g) -10.78 -10.78 0.00 H2 H2O(g) -0.10 -0.02 0.08 H2O Pressure 9.9 atm, phi 0.080 H2Sg(g) 1.85 -6.21 -8.06 H2Sg Pressure 286.2 atm, phi 0.249 - O2(g) -43.53 -46.81 -3.28 O2 + O2(g) -43.48 -46.76 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6086,7 +6079,7 @@ H2Sg(g) 2.45 2.796e+02 0.343 0.000e+00 5.306e+00 5.306e+00 ----------------------------Description of solution---------------------------- pH = 3.087 Charge balance - pe = 2.417 Adjusted to redox equilibrium + pe = 2.375 Adjusted to redox equilibrium Specific Conductance (µS/cm, 120°C) = 199 Density (g/cm³) = 0.97864 Volume (L) = 1.15231 @@ -6096,14 +6089,14 @@ H2Sg(g) 2.45 2.796e+02 0.343 0.000e+00 5.306e+00 5.306e+00 Total alkalinity (eq/kg) = 3.715e+00 Temperature (°C) = 120.00 Pressure (atm) = 296.10 - Electrical balance (eq) = 2.404e-14 + Electrical balance (eq) = 5.879e-19 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 62 - Gamma iterations = 9 + Iterations = 87 + Gamma iterations = 7 Osmotic coefficient = 0.99999 Density of water = 0.95748 - Total H = 1.177812e+02 - Total O = 5.519612e+01 + Total H = 1.177787e+02 + Total O = 5.519489e+01 ----------------------------Distribution of species---------------------------- @@ -6113,10 +6106,10 @@ H2Sg(g) 2.45 2.796e+02 0.343 0.000e+00 5.306e+00 5.306e+00 H+ 8.523e-04 8.190e-04 -3.069 -3.087 -0.017 0.00 OH- 3.308e-09 3.179e-09 -8.480 -8.498 -0.017 (0) H2O 5.551e+01 9.506e-01 1.744 -0.022 0.000 18.82 -H(0) 1.085e-14 - H2 5.426e-15 5.426e-15 -14.265 -14.265 0.000 (0) +H(0) 1.318e-14 + H2 6.591e-15 6.591e-15 -14.181 -14.181 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -40.172 -40.172 0.000 (0) + O2 0.000e+00 0.000e+00 -40.352 -40.352 0.000 (0) Sg 3.715e+00 H2Sg 1.906e+00 1.906e+00 0.280 0.280 0.000 43.43 (H2Sg)2 9.043e-01 9.043e-01 -0.044 -0.044 0.000 35.00 @@ -6126,10 +6119,10 @@ Sg 3.715e+00 Phase SI** log IAP log K(393 K, 296 atm) - H2(g) -11.01 20.06 31.07 H2 + H2(g) -10.92 -10.92 0.00 H2 H2O(g) 0.34 -0.02 -0.36 H2O Pressure 16.5 atm, phi 0.132 H2Sg(g) 1.98 -6.17 -8.16 H2Sg Pressure 279.6 atm, phi 0.343 - O2(g) -36.76 -40.17 -3.41 O2 + O2(g) -36.94 -40.35 -3.41 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6163,7 +6156,7 @@ H2Sg(g) 2.43 2.701e+02 0.440 0.000e+00 4.314e+00 4.314e+00 ----------------------------Description of solution---------------------------- pH = 3.110 Charge balance - pe = 2.415 Adjusted to redox equilibrium + pe = 2.226 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 239 Density (g/cm³) = 0.96659 Volume (L) = 1.20180 @@ -6173,14 +6166,14 @@ H2Sg(g) 2.43 2.701e+02 0.440 0.000e+00 4.314e+00 4.314e+00 Total alkalinity (eq/kg) = 4.721e+00 Temperature (°C) = 150.00 Pressure (atm) = 296.10 - Electrical balance (eq) = 1.044e-13 + Electrical balance (eq) = 3.298e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 68 - Gamma iterations = 8 + Iterations = 74 + Gamma iterations = 10 Osmotic coefficient = 0.99999 Density of water = 0.93295 - Total H = 1.195602e+02 - Total O = 5.509418e+01 + Total H = 1.195577e+02 + Total O = 5.509295e+01 ----------------------------Distribution of species---------------------------- @@ -6190,10 +6183,10 @@ H2Sg(g) 2.43 2.701e+02 0.440 0.000e+00 4.314e+00 4.314e+00 H+ 8.106e-04 7.771e-04 -3.091 -3.110 -0.018 0.00 OH- 1.149e-08 1.102e-08 -7.940 -7.958 -0.018 (0) H2O 5.551e+01 9.393e-01 1.744 -0.027 0.000 19.31 -H(0) 9.003e-15 - H2 4.502e-15 4.502e-15 -14.347 -14.347 0.000 (0) -O(0) 2.915e-35 - O2 1.458e-35 1.458e-35 -34.836 -34.836 0.000 (0) +H(0) 2.147e-14 + H2 1.074e-14 1.074e-14 -13.969 -13.969 0.000 (0) +O(0) 5.007e-36 + O2 2.504e-36 2.504e-36 -35.601 -35.601 0.000 (0) Sg 4.721e+00 H2Sg 2.232e+00 2.232e+00 0.349 0.349 0.000 45.56 (H2Sg)2 1.244e+00 1.244e+00 0.095 0.095 -0.000 29.95 @@ -6203,10 +6196,10 @@ Sg 4.721e+00 Phase SI** log IAP log K(423 K, 296 atm) - H2(g) -11.05 17.39 28.44 H2 + H2(g) -10.67 -10.67 0.00 H2 H2O(g) 0.70 -0.03 -0.73 H2O Pressure 26.0 atm, phi 0.194 H2Sg(g) 2.08 -6.22 -8.29 H2Sg Pressure 270.1 atm, phi 0.440 - O2(g) -31.31 -34.84 -3.53 O2 + O2(g) -32.07 -35.60 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6240,7 +6233,7 @@ H2Sg(g) 2.41 2.570e+02 0.534 0.000e+00 3.211e+00 3.211e+00 ----------------------------Description of solution---------------------------- pH = 3.166 Charge balance - pe = 2.298 Adjusted to redox equilibrium + pe = 2.160 Adjusted to redox equilibrium Specific Conductance (µS/cm, 180°C) = 254 Density (g/cm³) = 0.95493 Volume (L) = 1.25681 @@ -6250,14 +6243,14 @@ H2Sg(g) 2.41 2.570e+02 0.534 0.000e+00 3.211e+00 3.211e+00 Total alkalinity (eq/kg) = 5.841e+00 Temperature (°C) = 180.00 Pressure (atm) = 296.10 - Electrical balance (eq) = 5.504e-20 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 100 - Gamma iterations = 11 + Electrical balance (eq) = -8.671e-20 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 55 + Gamma iterations = 5 Osmotic coefficient = 1.00000 Density of water = 0.90504 - Total H = 1.216220e+02 - Total O = 5.502157e+01 + Total H = 1.216195e+02 + Total O = 5.502034e+01 ----------------------------Distribution of species---------------------------- @@ -6267,23 +6260,23 @@ H2Sg(g) 2.41 2.570e+02 0.534 0.000e+00 3.211e+00 3.211e+00 H+ 7.130e-04 6.828e-04 -3.147 -3.166 -0.019 0.00 OH- 3.669e-08 3.514e-08 -7.435 -7.454 -0.019 (0) H2O 5.551e+01 9.263e-01 1.744 -0.033 0.000 19.91 -H(0) 1.100e-14 - H2 5.498e-15 5.498e-15 -14.260 -14.260 0.000 (0) -O(0) 5.990e-31 - O2 2.995e-31 2.995e-31 -30.524 -30.524 0.000 (0) +H(0) 2.079e-14 + H2 1.039e-14 1.039e-14 -13.983 -13.983 0.000 (0) +O(0) 1.638e-31 + O2 8.188e-32 8.188e-32 -31.087 -31.087 0.000 (0) Sg 5.841e+00 H2Sg 2.654e+00 2.654e+00 0.424 0.424 0.000 48.01 - (H2Sg)2 1.593e+00 1.593e+00 0.202 0.202 0.000 22.34 + (H2Sg)2 1.593e+00 1.593e+00 0.202 0.202 -0.000 22.34 HSg- 7.129e-04 6.827e-04 -3.147 -3.166 -0.019 12.38 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(453 K, 296 atm) - H2(g) -10.93 15.23 26.16 H2 + H2(g) -10.65 -10.65 0.00 H2 H2O(g) 1.01 -0.03 -1.04 H2O Pressure 39.1 atm, phi 0.260 H2Sg(g) 2.14 -6.33 -8.47 H2Sg Pressure 257.0 atm, phi 0.534 - O2(g) -26.90 -30.52 -3.63 O2 + O2(g) -27.46 -31.09 -3.63 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6317,7 +6310,7 @@ H2Sg(g) 2.38 2.394e+02 0.621 0.000e+00 2.089e+00 2.089e+00 ----------------------------Description of solution---------------------------- pH = 3.250 Charge balance - pe = 2.055 Adjusted to redox equilibrium + pe = 1.917 Adjusted to redox equilibrium Specific Conductance (µS/cm, 210°C) = 244 Density (g/cm³) = 0.94390 Volume (L) = 1.31428 @@ -6327,14 +6320,14 @@ H2Sg(g) 2.38 2.394e+02 0.621 0.000e+00 2.089e+00 2.089e+00 Total alkalinity (eq/kg) = 6.973e+00 Temperature (°C) = 210.00 Pressure (atm) = 296.10 - Electrical balance (eq) = 8.032e-15 + Electrical balance (eq) = 1.289e-19 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 36 - Gamma iterations = 4 + Iterations = 79 + Gamma iterations = 8 Osmotic coefficient = 1.00000 Density of water = 0.87375 - Total H = 1.238528e+02 - Total O = 5.501518e+01 + Total H = 1.238503e+02 + Total O = 5.501395e+01 ----------------------------Distribution of species---------------------------- @@ -6344,10 +6337,10 @@ H2Sg(g) 2.38 2.394e+02 0.621 0.000e+00 2.089e+00 2.089e+00 H+ 5.875e-04 5.626e-04 -3.231 -3.250 -0.019 0.00 OH- 1.096e-07 1.050e-07 -6.960 -6.979 -0.019 (0) H2O 5.551e+01 9.128e-01 1.744 -0.040 0.000 20.62 -H(0) 2.135e-14 - H2 1.067e-14 1.067e-14 -13.972 -13.972 0.000 (0) -O(0) 1.347e-27 - O2 6.733e-28 6.733e-28 -27.172 -27.172 0.000 (0) +H(0) 4.036e-14 + H2 2.018e-14 2.018e-14 -13.695 -13.695 0.000 (0) +O(0) 3.680e-28 + O2 1.840e-28 1.840e-28 -27.735 -27.735 0.000 (0) Sg 6.973e+00 H2Sg 3.151e+00 3.151e+00 0.498 0.498 0.000 51.27 (H2Sg)2 1.911e+00 1.911e+00 0.281 0.281 0.000 10.47 @@ -6357,10 +6350,10 @@ Sg 6.973e+00 Phase SI** log IAP log K(483 K, 296 atm) - H2(g) -10.61 13.55 24.16 H2 + H2(g) -10.33 -10.33 0.00 H2 H2O(g) 1.26 -0.04 -1.30 H2O Pressure 56.7 atm, phi 0.323 H2Sg(g) 2.17 -6.50 -8.67 H2Sg Pressure 239.4 atm, phi 0.621 - O2(g) -23.46 -27.17 -3.71 O2 + O2(g) -24.02 -27.74 -3.71 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6417,7 +6410,7 @@ H2Sg(g) 2.53 3.422e+02 0.090 0.000e+00 6.782e+00 6.782e+00 ----------------------------Description of solution---------------------------- pH = 3.282 Charge balance - pe = 2.336 Adjusted to redox equilibrium + pe = 2.266 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 38 Density (g/cm³) = 1.02028 Volume (L) = 1.05748 @@ -6427,14 +6420,14 @@ H2Sg(g) 2.53 3.422e+02 0.090 0.000e+00 6.782e+00 6.782e+00 Total alkalinity (eq/kg) = 2.220e+00 Temperature (°C) = 30.00 Pressure (atm) = 345.40 - Electrical balance (eq) = 9.224e-15 + Electrical balance (eq) = 7.504e-19 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 63 - Gamma iterations = 7 + Iterations = 47 + Gamma iterations = 6 Osmotic coefficient = 1.00000 Density of water = 1.01061 - Total H = 1.153302e+02 - Total O = 5.544734e+01 + Total H = 1.153277e+02 + Total O = 5.544610e+01 ----------------------------Distribution of species---------------------------- @@ -6442,12 +6435,12 @@ H2Sg(g) 2.53 3.422e+02 0.090 0.000e+00 6.782e+00 6.782e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 5.358e-04 5.220e-04 -3.271 -3.282 -0.011 0.00 - OH- 3.521e-11 3.430e-11 -10.453 -10.465 -0.011 (0) + OH- 3.521e-11 3.431e-11 -10.453 -10.465 -0.011 (0) H2O 5.551e+01 9.650e-01 1.744 -0.015 0.000 17.83 -H(0) 9.385e-15 - H2 4.693e-15 4.693e-15 -14.329 -14.329 0.000 (0) +H(0) 1.295e-14 + H2 6.473e-15 6.473e-15 -14.189 -14.189 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.707 -61.707 0.000 (0) + O2 0.000e+00 0.000e+00 -61.996 -61.996 0.000 (0) Sg 2.220e+00 H2Sg 1.729e+00 1.729e+00 0.238 0.238 0.000 33.74 (H2Sg)2 2.456e-01 2.456e-01 -0.610 -0.610 0.000 44.10 @@ -6457,10 +6450,10 @@ Sg 2.220e+00 Phase SI** log IAP log K(303 K, 345 atm) - H2(g) -11.24 30.84 42.07 H2 + H2(g) -11.10 -11.10 0.00 H2 H2O(g) -1.29 -0.02 1.27 H2O Pressure 3.2 atm, phi 0.016 H2Sg(g) 1.49 -6.56 -8.05 H2Sg Pressure 342.2 atm, phi 0.090 - O2(g) -58.77 -61.71 -2.94 O2 + O2(g) -59.06 -62.00 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6494,7 +6487,7 @@ H2Sg(g) 2.53 3.391e+02 0.153 0.000e+00 6.567e+00 6.567e+00 ----------------------------Description of solution---------------------------- pH = 3.160 Charge balance - pe = 2.247 Adjusted to redox equilibrium + pe = 2.380 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 85 Density (g/cm³) = 1.00637 Volume (L) = 1.07873 @@ -6504,14 +6497,14 @@ H2Sg(g) 2.53 3.391e+02 0.153 0.000e+00 6.567e+00 6.567e+00 Total alkalinity (eq/kg) = 2.438e+00 Temperature (°C) = 60.00 Pressure (atm) = 345.40 - Electrical balance (eq) = 1.015e-15 + Electrical balance (eq) = 1.016e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 35 + Iterations = 61 Gamma iterations = 5 Osmotic coefficient = 0.99999 Density of water = 0.99779 - Total H = 1.156398e+02 - Total O = 5.538705e+01 + Total H = 1.156373e+02 + Total O = 5.538581e+01 ----------------------------Distribution of species---------------------------- @@ -6521,10 +6514,10 @@ H2Sg(g) 2.53 3.391e+02 0.153 0.000e+00 6.567e+00 6.567e+00 H+ 7.138e-04 6.916e-04 -3.146 -3.160 -0.014 0.00 OH- 1.924e-10 1.864e-10 -9.716 -9.730 -0.014 (0) H2O 5.551e+01 9.641e-01 1.744 -0.016 0.000 18.06 -H(0) 2.140e-14 - H2 1.070e-14 1.070e-14 -13.971 -13.971 0.000 (0) +H(0) 1.155e-14 + H2 5.776e-15 5.776e-15 -14.238 -14.238 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.889 -53.889 0.000 (0) + O2 0.000e+00 0.000e+00 -53.364 -53.364 0.000 (0) Sg 2.438e+00 H2Sg 1.618e+00 1.618e+00 0.209 0.209 0.000 37.98 (H2Sg)2 4.100e-01 4.100e-01 -0.387 -0.387 0.000 42.59 @@ -6534,10 +6527,10 @@ Sg 2.438e+00 Phase SI** log IAP log K(333 K, 345 atm) - H2(g) -10.81 26.93 37.74 H2 + H2(g) -11.08 -11.08 0.00 H2 H2O(g) -0.63 -0.02 0.61 H2O Pressure 6.3 atm, phi 0.037 H2Sg(g) 1.71 -6.32 -8.03 H2Sg Pressure 339.1 atm, phi 0.153 - O2(g) -50.77 -53.89 -3.12 O2 + O2(g) -50.24 -53.36 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6571,7 +6564,7 @@ H2Sg(g) 2.52 3.339e+02 0.230 0.000e+00 5.993e+00 5.993e+00 ----------------------------Description of solution---------------------------- pH = 3.095 Charge balance - pe = 2.103 Adjusted to redox equilibrium + pe = 2.371 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 145 Density (g/cm³) = 0.99395 Volume (L) = 1.11154 @@ -6581,14 +6574,14 @@ H2Sg(g) 2.52 3.339e+02 0.230 0.000e+00 5.993e+00 5.993e+00 Total alkalinity (eq/kg) = 3.018e+00 Temperature (°C) = 90.00 Pressure (atm) = 345.40 - Electrical balance (eq) = 2.037e-14 + Electrical balance (eq) = 1.887e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 56 - Gamma iterations = 8 + Iterations = 65 + Gamma iterations = 10 Osmotic coefficient = 0.99999 Density of water = 0.98062 - Total H = 1.166207e+02 - Total O = 5.530326e+01 + Total H = 1.166182e+02 + Total O = 5.530203e+01 ----------------------------Distribution of species---------------------------- @@ -6596,12 +6589,12 @@ H2Sg(g) 2.52 3.339e+02 0.230 0.000e+00 5.993e+00 5.993e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 8.339e-04 8.040e-04 -3.079 -3.095 -0.016 0.00 - OH- 8.600e-10 8.292e-10 -9.066 -9.081 -0.016 (0) + OH- 8.600e-10 8.292e-10 -9.065 -9.081 -0.016 (0) H2O 5.551e+01 9.583e-01 1.744 -0.019 0.000 18.37 -H(0) 4.940e-14 - H2 2.470e-14 2.470e-14 -13.607 -13.607 0.000 (0) +H(0) 1.438e-14 + H2 7.190e-15 7.190e-15 -14.143 -14.143 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -47.496 -47.496 0.000 (0) + O2 0.000e+00 0.000e+00 -46.434 -46.434 0.000 (0) Sg 3.018e+00 H2Sg 1.711e+00 1.711e+00 0.233 0.233 0.000 40.66 (H2Sg)2 6.532e-01 6.532e-01 -0.185 -0.185 0.000 40.33 @@ -6611,10 +6604,10 @@ Sg 3.018e+00 Phase SI** log IAP log K(363 K, 345 atm) - H2(g) -10.40 23.73 34.13 H2 + H2(g) -10.93 -10.93 0.00 H2 H2O(g) -0.09 -0.02 0.07 H2O Pressure 11.5 atm, phi 0.071 H2Sg(g) 1.89 -6.19 -8.08 H2Sg Pressure 333.9 atm, phi 0.230 - O2(g) -44.22 -47.50 -3.28 O2 + O2(g) -43.15 -46.43 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6648,7 +6641,7 @@ H2Sg(g) 2.51 3.261e+02 0.318 0.000e+00 5.117e+00 5.117e+00 ----------------------------Description of solution---------------------------- pH = 3.076 Charge balance - pe = 2.358 Adjusted to redox equilibrium + pe = 2.366 Adjusted to redox equilibrium Specific Conductance (µS/cm, 120°C) = 203 Density (g/cm³) = 0.98241 Volume (L) = 1.15502 @@ -6658,14 +6651,14 @@ H2Sg(g) 2.51 3.261e+02 0.318 0.000e+00 5.117e+00 5.117e+00 Total alkalinity (eq/kg) = 3.904e+00 Temperature (°C) = 120.00 Pressure (atm) = 345.40 - Electrical balance (eq) = 1.119e-14 + Electrical balance (eq) = 8.553e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 61 - Gamma iterations = 8 + Iterations = 46 + Gamma iterations = 5 Osmotic coefficient = 0.99999 Density of water = 0.95975 - Total H = 1.181794e+02 - Total O = 5.520658e+01 + Total H = 1.181769e+02 + Total O = 5.520535e+01 ----------------------------Distribution of species---------------------------- @@ -6675,10 +6668,10 @@ H2Sg(g) 2.51 3.261e+02 0.318 0.000e+00 5.117e+00 5.117e+00 H+ 8.735e-04 8.391e-04 -3.059 -3.076 -0.017 0.00 OH- 3.316e-09 3.185e-09 -8.479 -8.497 -0.017 (0) H2O 5.551e+01 9.487e-01 1.744 -0.023 0.000 18.77 -H(0) 1.496e-14 - H2 7.480e-15 7.480e-15 -14.126 -14.126 0.000 (0) +H(0) 1.442e-14 + H2 7.211e-15 7.211e-15 -14.142 -14.142 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -40.428 -40.428 0.000 (0) + O2 0.000e+00 0.000e+00 -40.407 -40.407 0.000 (0) Sg 3.904e+00 H2Sg 1.942e+00 1.942e+00 0.288 0.288 0.000 42.79 (H2Sg)2 9.808e-01 9.808e-01 -0.008 -0.008 -0.000 37.02 @@ -6688,10 +6681,10 @@ Sg 3.904e+00 Phase SI** log IAP log K(393 K, 345 atm) - H2(g) -10.87 20.19 31.06 H2 + H2(g) -10.88 -10.88 0.00 H2 H2O(g) 0.35 -0.02 -0.37 H2O Pressure 19.3 atm, phi 0.116 H2Sg(g) 2.02 -6.15 -8.17 H2Sg Pressure 326.1 atm, phi 0.318 - O2(g) -37.01 -40.43 -3.41 O2 + O2(g) -36.99 -40.41 -3.41 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6725,7 +6718,7 @@ H2Sg(g) 2.50 3.149e+02 0.411 0.000e+00 3.982e+00 3.982e+00 ----------------------------Description of solution---------------------------- pH = 3.097 Charge balance - pe = 2.373 Adjusted to redox equilibrium + pe = 2.309 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 245 Density (g/cm³) = 0.97221 Volume (L) = 1.20772 @@ -6735,14 +6728,14 @@ H2Sg(g) 2.50 3.149e+02 0.411 0.000e+00 3.982e+00 3.982e+00 Total alkalinity (eq/kg) = 5.053e+00 Temperature (°C) = 150.00 Pressure (atm) = 345.40 - Electrical balance (eq) = 8.041e-13 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 40 - Gamma iterations = 5 + Electrical balance (eq) = -2.387e-20 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 55 + Gamma iterations = 7 Osmotic coefficient = 0.99999 Density of water = 0.93547 - Total H = 1.202833e+02 - Total O = 5.512413e+01 + Total H = 1.202809e+02 + Total O = 5.512291e+01 ----------------------------Distribution of species---------------------------- @@ -6752,10 +6745,10 @@ H2Sg(g) 2.50 3.149e+02 0.411 0.000e+00 3.982e+00 3.982e+00 H+ 8.353e-04 8.005e-04 -3.078 -3.097 -0.019 0.00 OH- 1.143e-08 1.095e-08 -7.942 -7.961 -0.019 (0) H2O 5.551e+01 9.360e-01 1.744 -0.029 0.000 19.26 -H(0) 1.158e-14 - H2 5.791e-15 5.791e-15 -14.237 -14.237 0.000 (0) -O(0) 1.846e-35 - O2 9.228e-36 9.228e-36 -35.035 -35.035 0.000 (0) +H(0) 1.555e-14 + H2 7.773e-15 7.773e-15 -14.109 -14.109 0.000 (0) +O(0) 1.001e-35 + O2 5.005e-36 5.005e-36 -35.301 -35.301 0.000 (0) Sg 5.053e+00 H2Sg 2.292e+00 2.292e+00 0.360 0.360 0.000 44.86 (H2Sg)2 1.380e+00 1.380e+00 0.140 0.140 -0.000 32.14 @@ -6765,10 +6758,10 @@ Sg 5.053e+00 Phase SI** log IAP log K(423 K, 345 atm) - H2(g) -10.94 17.49 28.43 H2 + H2(g) -10.81 -10.81 0.00 H2 H2O(g) 0.71 -0.03 -0.74 H2O Pressure 30.5 atm, phi 0.169 H2Sg(g) 2.11 -6.19 -8.31 H2Sg Pressure 314.9 atm, phi 0.411 - O2(g) -31.51 -35.03 -3.53 O2 + O2(g) -31.77 -35.30 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6802,7 +6795,7 @@ H2Sg(g) 2.48 2.996e+02 0.502 0.000e+00 2.652e+00 2.652e+00 ----------------------------Description of solution---------------------------- pH = 3.150 Charge balance - pe = 2.032 Adjusted to redox equilibrium + pe = 2.277 Adjusted to redox equilibrium Specific Conductance (µS/cm, 180°C) = 261 Density (g/cm³) = 0.96406 Volume (L) = 1.26739 @@ -6812,14 +6805,14 @@ H2Sg(g) 2.48 2.996e+02 0.502 0.000e+00 2.652e+00 2.652e+00 Total alkalinity (eq/kg) = 6.395e+00 Temperature (°C) = 180.00 Pressure (atm) = 345.40 - Electrical balance (eq) = 2.597e-15 + Electrical balance (eq) = 2.598e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 37 Gamma iterations = 4 Osmotic coefficient = 1.00000 Density of water = 0.90792 - Total H = 1.229059e+02 - Total O = 5.510472e+01 + Total H = 1.229034e+02 + Total O = 5.510349e+01 ----------------------------Distribution of species---------------------------- @@ -6829,23 +6822,23 @@ H2Sg(g) 2.48 2.996e+02 0.502 0.000e+00 2.652e+00 2.652e+00 H+ 7.401e-04 7.084e-04 -3.131 -3.150 -0.019 0.00 OH- 3.610e-08 3.455e-08 -7.443 -7.462 -0.019 (0) H2O 5.551e+01 9.209e-01 1.744 -0.036 0.000 19.84 -H(0) 4.037e-14 - H2 2.019e-14 2.019e-14 -13.695 -13.695 0.000 (0) -O(0) 4.624e-32 - O2 2.312e-32 2.312e-32 -31.636 -31.636 0.000 (0) +H(0) 1.304e-14 + H2 6.518e-15 6.518e-15 -14.186 -14.186 0.000 (0) +O(0) 4.334e-31 + O2 2.167e-31 2.167e-31 -30.664 -30.664 0.000 (0) Sg 6.395e+00 H2Sg 2.753e+00 2.753e+00 0.440 0.440 0.000 47.23 - (H2Sg)2 1.820e+00 1.820e+00 0.260 0.260 -0.000 24.84 + (H2Sg)2 1.820e+00 1.820e+00 0.260 0.260 0.000 24.84 HSg- 7.401e-04 7.083e-04 -3.131 -3.150 -0.019 12.71 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(453 K, 345 atm) - H2(g) -10.36 15.78 26.15 H2 + H2(g) -10.85 -10.85 0.00 H2 H2O(g) 1.02 -0.04 -1.05 H2O Pressure 45.8 atm, phi 0.227 H2Sg(g) 2.18 -6.30 -8.48 H2Sg Pressure 299.6 atm, phi 0.502 - O2(g) -28.01 -31.64 -3.63 O2 + O2(g) -27.04 -30.66 -3.63 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6902,7 +6895,7 @@ H2Sg(g) 2.59 3.912e+02 0.085 0.000e+00 6.739e+00 6.739e+00 ----------------------------Description of solution---------------------------- pH = 3.275 Charge balance - pe = 2.306 Adjusted to redox equilibrium + pe = 2.346 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 38 Density (g/cm³) = 1.02284 Volume (L) = 1.05636 @@ -6912,14 +6905,14 @@ H2Sg(g) 2.59 3.912e+02 0.085 0.000e+00 6.739e+00 6.739e+00 Total alkalinity (eq/kg) = 2.263e+00 Temperature (°C) = 30.00 Pressure (atm) = 394.80 - Electrical balance (eq) = 3.968e-16 + Electrical balance (eq) = 4.749e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 53 - Gamma iterations = 5 + Iterations = 41 + Gamma iterations = 7 Osmotic coefficient = 1.00000 Density of water = 1.01268 - Total H = 1.154174e+02 - Total O = 5.544809e+01 + Total H = 1.154149e+02 + Total O = 5.544686e+01 ----------------------------Distribution of species---------------------------- @@ -6927,12 +6920,12 @@ H2Sg(g) 2.59 3.912e+02 0.085 0.000e+00 6.739e+00 6.739e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 5.447e-04 5.306e-04 -3.264 -3.275 -0.011 0.00 - OH- 3.584e-11 3.492e-11 -10.446 -10.457 -0.011 (0) + OH- 3.585e-11 3.492e-11 -10.446 -10.457 -0.011 (0) H2O 5.551e+01 9.644e-01 1.744 -0.016 0.000 17.79 -H(0) 1.112e-14 - H2 5.559e-15 5.559e-15 -14.255 -14.255 0.000 (0) +H(0) 9.244e-15 + H2 4.622e-15 4.622e-15 -14.335 -14.335 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.824 -61.824 0.000 (0) + O2 0.000e+00 0.000e+00 -61.674 -61.674 0.000 (0) Sg 2.263e+00 H2Sg 1.755e+00 1.755e+00 0.244 0.244 0.000 33.28 (H2Sg)2 2.540e-01 2.540e-01 -0.595 -0.595 0.000 45.88 @@ -6942,10 +6935,10 @@ Sg 2.263e+00 Phase SI** log IAP log K(303 K, 395 atm) - H2(g) -11.16 30.90 42.06 H2 + H2(g) -11.24 -11.24 0.00 H2 H2O(g) -1.27 -0.02 1.25 H2O Pressure 3.6 atm, phi 0.015 H2Sg(g) 1.52 -6.55 -8.07 H2Sg Pressure 391.2 atm, phi 0.085 - O2(g) -58.89 -61.82 -2.94 O2 + O2(g) -58.74 -61.67 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -6979,7 +6972,7 @@ H2Sg(g) 2.59 3.876e+02 0.144 0.000e+00 6.511e+00 6.511e+00 ----------------------------Description of solution---------------------------- pH = 3.153 Charge balance - pe = 2.368 Adjusted to redox equilibrium + pe = 2.254 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 86 Density (g/cm³) = 1.00879 Volume (L) = 1.07818 @@ -6989,14 +6982,14 @@ H2Sg(g) 2.59 3.876e+02 0.144 0.000e+00 6.511e+00 6.511e+00 Total alkalinity (eq/kg) = 2.494e+00 Temperature (°C) = 60.00 Pressure (atm) = 394.80 - Electrical balance (eq) = 9.350e-16 + Electrical balance (eq) = 7.810e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 55 - Gamma iterations = 15 + Iterations = 59 + Gamma iterations = 11 Osmotic coefficient = 0.99999 Density of water = 0.99980 - Total H = 1.157552e+02 - Total O = 5.538866e+01 + Total H = 1.157528e+02 + Total O = 5.538743e+01 ----------------------------Distribution of species---------------------------- @@ -7006,10 +6999,10 @@ H2Sg(g) 2.59 3.876e+02 0.144 0.000e+00 6.511e+00 6.511e+00 H+ 7.265e-04 7.038e-04 -3.139 -3.153 -0.014 0.00 OH- 1.951e-10 1.890e-10 -9.710 -9.724 -0.014 (0) H2O 5.551e+01 9.634e-01 1.744 -0.016 0.000 18.02 -H(0) 1.264e-14 - H2 6.322e-15 6.322e-15 -14.199 -14.199 0.000 (0) +H(0) 2.139e-14 + H2 1.069e-14 1.069e-14 -13.971 -13.971 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.405 -53.405 0.000 (0) + O2 0.000e+00 0.000e+00 -53.872 -53.872 0.000 (0) Sg 2.494e+00 H2Sg 1.637e+00 1.637e+00 0.214 0.214 0.000 37.44 (H2Sg)2 4.282e-01 4.282e-01 -0.368 -0.368 0.000 44.40 @@ -7019,10 +7012,10 @@ Sg 2.494e+00 Phase SI** log IAP log K(333 K, 395 atm) - H2(g) -11.04 26.69 37.73 H2 + H2(g) -10.81 -10.81 0.00 H2 H2O(g) -0.61 -0.02 0.60 H2O Pressure 7.2 atm, phi 0.034 H2Sg(g) 1.75 -6.31 -8.05 H2Sg Pressure 387.6 atm, phi 0.144 - O2(g) -50.28 -53.40 -3.12 O2 + O2(g) -50.75 -53.87 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7056,7 +7049,7 @@ H2Sg(g) 2.58 3.817e+02 0.217 0.000e+00 5.895e+00 5.895e+00 ----------------------------Description of solution---------------------------- pH = 3.086 Charge balance - pe = 2.286 Adjusted to redox equilibrium + pe = 2.455 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 147 Density (g/cm³) = 0.99660 Volume (L) = 1.11220 @@ -7066,14 +7059,14 @@ H2Sg(g) 2.58 3.817e+02 0.217 0.000e+00 5.895e+00 5.895e+00 Total alkalinity (eq/kg) = 3.116e+00 Temperature (°C) = 90.00 Pressure (atm) = 394.80 - Electrical balance (eq) = 1.711e-14 + Electrical balance (eq) = 1.350e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 61 - Gamma iterations = 9 + Iterations = 68 + Gamma iterations = 6 Osmotic coefficient = 0.99999 Density of water = 0.98269 - Total H = 1.168239e+02 - Total O = 5.530733e+01 + Total H = 1.168214e+02 + Total O = 5.530610e+01 ----------------------------Distribution of species---------------------------- @@ -7083,10 +7076,10 @@ H2Sg(g) 2.58 3.817e+02 0.217 0.000e+00 5.895e+00 5.895e+00 H+ 8.506e-04 8.199e-04 -3.070 -3.086 -0.016 0.00 OH- 8.682e-10 8.369e-10 -9.061 -9.077 -0.016 (0) H2O 5.551e+01 9.572e-01 1.744 -0.019 0.000 18.33 -H(0) 2.208e-14 - H2 1.104e-14 1.104e-14 -13.957 -13.957 0.000 (0) +H(0) 1.018e-14 + H2 5.091e-15 5.091e-15 -14.293 -14.293 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.771 -46.771 0.000 (0) + O2 0.000e+00 0.000e+00 -46.109 -46.109 0.000 (0) Sg 3.116e+00 H2Sg 1.734e+00 1.734e+00 0.239 0.239 -0.000 40.08 (H2Sg)2 6.904e-01 6.904e-01 -0.161 -0.161 0.000 42.19 @@ -7096,10 +7089,10 @@ Sg 3.116e+00 Phase SI** log IAP log K(363 K, 395 atm) - H2(g) -10.75 23.37 34.11 H2 + H2(g) -11.08 -11.08 0.00 H2 H2O(g) -0.08 -0.02 0.06 H2O Pressure 13.1 atm, phi 0.064 H2Sg(g) 1.92 -6.17 -8.09 H2Sg Pressure 381.7 atm, phi 0.217 - O2(g) -43.49 -46.77 -3.28 O2 + O2(g) -42.83 -46.11 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7133,7 +7126,7 @@ H2Sg(g) 2.57 3.728e+02 0.300 0.000e+00 4.940e+00 4.940e+00 ----------------------------Description of solution---------------------------- pH = 3.066 Charge balance - pe = 2.463 Adjusted to redox equilibrium + pe = 2.438 Adjusted to redox equilibrium Specific Conductance (µS/cm, 120°C) = 207 Density (g/cm³) = 0.98578 Volume (L) = 1.15774 @@ -7143,14 +7136,14 @@ H2Sg(g) 2.57 3.728e+02 0.300 0.000e+00 4.940e+00 4.940e+00 Total alkalinity (eq/kg) = 4.081e+00 Temperature (°C) = 120.00 Pressure (atm) = 394.80 - Electrical balance (eq) = 1.145e-18 + Electrical balance (eq) = 4.124e-20 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 57 - Gamma iterations = 8 + Iterations = 50 + Gamma iterations = 5 Osmotic coefficient = 0.99999 Density of water = 0.96199 - Total H = 1.185553e+02 - Total O = 5.521775e+01 + Total H = 1.185528e+02 + Total O = 5.521651e+01 ----------------------------Distribution of species---------------------------- @@ -7160,23 +7153,23 @@ H2Sg(g) 2.57 3.728e+02 0.300 0.000e+00 4.940e+00 4.940e+00 H+ 8.939e-04 8.584e-04 -3.049 -3.066 -0.018 0.00 OH- 3.329e-09 3.197e-09 -8.478 -8.495 -0.018 (0) H2O 5.551e+01 9.469e-01 1.744 -0.024 0.000 18.73 -H(0) 9.664e-15 - H2 4.832e-15 4.832e-15 -14.316 -14.316 0.000 (0) +H(0) 1.081e-14 + H2 5.406e-15 5.406e-15 -14.267 -14.267 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -40.026 -40.026 0.000 (0) + O2 0.000e+00 0.000e+00 -40.134 -40.134 0.000 (0) Sg 4.081e+00 H2Sg 1.976e+00 1.976e+00 0.296 0.296 0.000 42.17 - (H2Sg)2 1.052e+00 1.052e+00 0.022 0.022 -0.000 38.97 + (H2Sg)2 1.052e+00 1.052e+00 0.022 0.022 0.000 38.97 HSg- 8.938e-04 8.584e-04 -3.049 -3.066 -0.018 19.07 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(393 K, 395 atm) - H2(g) -11.06 19.99 31.05 H2 + H2(g) -11.01 -11.01 0.00 H2 H2O(g) 0.36 -0.02 -0.38 H2O Pressure 22.0 atm, phi 0.104 H2Sg(g) 2.05 -6.13 -8.18 H2Sg Pressure 372.8 atm, phi 0.300 - O2(g) -36.61 -40.03 -3.41 O2 + O2(g) -36.72 -40.13 -3.41 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7210,7 +7203,7 @@ H2Sg(g) 2.56 3.600e+02 0.389 0.000e+00 3.670e+00 3.670e+00 ----------------------------Description of solution---------------------------- pH = 3.085 Charge balance - pe = 2.412 Adjusted to redox equilibrium + pe = 2.259 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 250 Density (g/cm³) = 0.97717 Volume (L) = 1.21371 @@ -7220,14 +7213,14 @@ H2Sg(g) 2.56 3.600e+02 0.389 0.000e+00 3.670e+00 3.670e+00 Total alkalinity (eq/kg) = 5.365e+00 Temperature (°C) = 150.00 Pressure (atm) = 394.80 - Electrical balance (eq) = 1.175e-18 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 53 - Gamma iterations = 6 + Electrical balance (eq) = -4.576e-20 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 42 + Gamma iterations = 4 Osmotic coefficient = 0.99999 Density of water = 0.93795 - Total H = 1.209707e+02 - Total O = 5.515512e+01 + Total H = 1.209683e+02 + Total O = 5.515389e+01 ----------------------------Distribution of species---------------------------- @@ -7237,10 +7230,10 @@ H2Sg(g) 2.56 3.600e+02 0.389 0.000e+00 3.670e+00 3.670e+00 H+ 8.586e-04 8.225e-04 -3.066 -3.085 -0.019 0.00 OH- 1.139e-08 1.091e-08 -7.943 -7.962 -0.019 (0) H2O 5.551e+01 9.329e-01 1.744 -0.030 0.000 19.21 -H(0) 1.023e-14 - H2 5.113e-15 5.113e-15 -14.291 -14.291 0.000 (0) -O(0) 2.482e-35 - O2 1.241e-35 1.241e-35 -34.906 -34.906 0.000 (0) +H(0) 2.070e-14 + H2 1.035e-14 1.035e-14 -13.985 -13.985 0.000 (0) +O(0) 5.920e-36 + O2 2.960e-36 2.960e-36 -35.529 -35.529 0.000 (0) Sg 5.365e+00 H2Sg 2.346e+00 2.346e+00 0.370 0.370 0.000 44.18 (H2Sg)2 1.509e+00 1.509e+00 0.179 0.179 0.000 34.26 @@ -7250,10 +7243,10 @@ Sg 5.365e+00 Phase SI** log IAP log K(423 K, 395 atm) - H2(g) -10.99 17.42 28.42 H2 + H2(g) -10.69 -10.69 0.00 H2 H2O(g) 0.72 -0.03 -0.75 H2O Pressure 34.8 atm, phi 0.152 H2Sg(g) 2.15 -6.17 -8.32 H2Sg Pressure 360.0 atm, phi 0.389 - O2(g) -31.38 -34.91 -3.53 O2 + O2(g) -32.00 -35.53 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7287,7 +7280,7 @@ H2Sg(g) 2.53 3.427e+02 0.479 0.000e+00 2.120e+00 2.120e+00 ----------------------------Description of solution---------------------------- pH = 3.135 Charge balance - pe = 2.305 Adjusted to redox equilibrium + pe = 2.183 Adjusted to redox equilibrium Specific Conductance (µS/cm, 180°C) = 268 Density (g/cm³) = 0.97212 Volume (L) = 1.27816 @@ -7299,12 +7292,12 @@ H2Sg(g) 2.53 3.427e+02 0.479 0.000e+00 2.120e+00 2.120e+00 Pressure (atm) = 394.80 Electrical balance (eq) = 8.554e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 37 + Iterations = 42 Gamma iterations = 4 Osmotic coefficient = 1.00000 Density of water = 0.91074 - Total H = 1.241345e+02 - Total O = 5.518735e+01 + Total H = 1.241320e+02 + Total O = 5.518612e+01 ----------------------------Distribution of species---------------------------- @@ -7314,10 +7307,10 @@ H2Sg(g) 2.53 3.427e+02 0.479 0.000e+00 2.120e+00 2.120e+00 H+ 7.653e-04 7.321e-04 -3.116 -3.135 -0.019 0.00 OH- 3.566e-08 3.411e-08 -7.448 -7.467 -0.019 (0) H2O 5.551e+01 9.158e-01 1.744 -0.038 0.000 19.78 -H(0) 1.226e-14 - H2 6.129e-15 6.129e-15 -14.213 -14.213 0.000 (0) -O(0) 5.223e-31 - O2 2.611e-31 2.611e-31 -30.583 -30.583 0.000 (0) +H(0) 2.154e-14 + H2 1.077e-14 1.077e-14 -13.968 -13.968 0.000 (0) +O(0) 1.653e-31 + O2 8.265e-32 8.265e-32 -31.083 -31.083 0.000 (0) Sg 6.920e+00 H2Sg 2.841e+00 2.841e+00 0.453 0.453 0.000 46.47 (H2Sg)2 2.039e+00 2.039e+00 0.309 0.309 0.000 27.26 @@ -7327,10 +7320,10 @@ Sg 6.920e+00 Phase SI** log IAP log K(453 K, 395 atm) - H2(g) -10.88 15.25 26.13 H2 + H2(g) -10.64 -10.64 0.00 H2 H2O(g) 1.02 -0.04 -1.06 H2O Pressure 52.1 atm, phi 0.203 H2Sg(g) 2.21 -6.27 -8.49 H2Sg Pressure 342.7 atm, phi 0.479 - O2(g) -26.96 -30.58 -3.63 O2 + O2(g) -27.46 -31.08 -3.63 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7387,7 +7380,7 @@ H2Sg(g) 2.64 4.401e+02 0.081 0.000e+00 6.698e+00 6.698e+00 ----------------------------Description of solution---------------------------- pH = 3.268 Charge balance - pe = 2.341 Adjusted to redox equilibrium + pe = 2.307 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 39 Density (g/cm³) = 1.02532 Volume (L) = 1.05527 @@ -7397,14 +7390,14 @@ H2Sg(g) 2.64 4.401e+02 0.081 0.000e+00 6.698e+00 6.698e+00 Total alkalinity (eq/kg) = 2.304e+00 Temperature (°C) = 30.00 Pressure (atm) = 444.10 - Electrical balance (eq) = 1.031e-16 + Electrical balance (eq) = 3.762e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 94 - Gamma iterations = 18 + Iterations = 50 + Gamma iterations = 5 Osmotic coefficient = 1.00000 Density of water = 1.01474 - Total H = 1.155016e+02 - Total O = 5.544888e+01 + Total H = 1.154992e+02 + Total O = 5.544764e+01 ----------------------------Distribution of species---------------------------- @@ -7414,10 +7407,10 @@ H2Sg(g) 2.64 4.401e+02 0.081 0.000e+00 6.698e+00 6.698e+00 H+ 5.536e-04 5.392e-04 -3.257 -3.268 -0.011 0.00 OH- 3.650e-11 3.555e-11 -10.438 -10.449 -0.011 (0) H2O 5.551e+01 9.638e-01 1.744 -0.016 0.000 17.75 -H(0) 9.771e-15 - H2 4.886e-15 4.886e-15 -14.311 -14.311 0.000 (0) +H(0) 1.144e-14 + H2 5.719e-15 5.719e-15 -14.243 -14.243 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.682 -61.682 0.000 (0) + O2 0.000e+00 0.000e+00 -61.830 -61.830 0.000 (0) Sg 2.304e+00 H2Sg 1.782e+00 1.782e+00 0.251 0.251 0.000 32.84 (H2Sg)2 2.607e-01 2.607e-01 -0.584 -0.584 0.000 47.59 @@ -7427,10 +7420,10 @@ Sg 2.304e+00 Phase SI** log IAP log K(303 K, 444 atm) - H2(g) -11.22 30.83 42.04 H2 + H2(g) -11.15 -11.15 0.00 H2 H2O(g) -1.26 -0.02 1.24 H2O Pressure 4.0 atm, phi 0.014 H2Sg(g) 1.55 -6.54 -8.09 H2Sg Pressure 440.1 atm, phi 0.081 - O2(g) -58.75 -61.68 -2.94 O2 + O2(g) -58.89 -61.83 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7464,7 +7457,7 @@ H2Sg(g) 2.64 4.360e+02 0.137 0.000e+00 6.459e+00 6.459e+00 ----------------------------Description of solution---------------------------- pH = 3.145 Charge balance - pe = 2.266 Adjusted to redox equilibrium + pe = 2.355 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 87 Density (g/cm³) = 1.01108 Volume (L) = 1.07763 @@ -7474,14 +7467,14 @@ H2Sg(g) 2.64 4.360e+02 0.137 0.000e+00 6.459e+00 6.459e+00 Total alkalinity (eq/kg) = 2.546e+00 Temperature (°C) = 60.00 Pressure (atm) = 444.10 - Electrical balance (eq) = 3.101e-14 + Electrical balance (eq) = 9.319e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 49 - Gamma iterations = 8 + Iterations = 47 + Gamma iterations = 5 Osmotic coefficient = 0.99999 Density of water = 1.00179 - Total H = 1.158627e+02 - Total O = 5.539034e+01 + Total H = 1.158602e+02 + Total O = 5.538911e+01 ----------------------------Distribution of species---------------------------- @@ -7491,10 +7484,10 @@ H2Sg(g) 2.64 4.360e+02 0.137 0.000e+00 6.459e+00 6.459e+00 H+ 7.390e-04 7.157e-04 -3.131 -3.145 -0.014 0.00 OH- 1.980e-10 1.917e-10 -9.703 -9.717 -0.014 (0) H2O 5.551e+01 9.628e-01 1.744 -0.016 0.000 17.98 -H(0) 2.091e-14 - H2 1.046e-14 1.046e-14 -13.981 -13.981 0.000 (0) +H(0) 1.388e-14 + H2 6.940e-15 6.940e-15 -14.159 -14.159 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.815 -53.815 0.000 (0) + O2 0.000e+00 0.000e+00 -53.469 -53.469 0.000 (0) Sg 2.546e+00 H2Sg 1.658e+00 1.658e+00 0.220 0.220 0.000 36.93 (H2Sg)2 4.437e-01 4.437e-01 -0.353 -0.353 0.000 46.15 @@ -7504,10 +7497,10 @@ Sg 2.546e+00 Phase SI** log IAP log K(333 K, 444 atm) - H2(g) -10.82 26.89 37.71 H2 + H2(g) -11.00 -11.00 0.00 H2 H2O(g) -0.60 -0.02 0.58 H2O Pressure 8.1 atm, phi 0.031 H2Sg(g) 1.78 -6.29 -8.07 H2Sg Pressure 436.0 atm, phi 0.137 - O2(g) -50.69 -53.81 -3.12 O2 + O2(g) -50.35 -53.47 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7541,7 +7534,7 @@ H2Sg(g) 2.63 4.294e+02 0.207 0.000e+00 5.805e+00 5.805e+00 ----------------------------Description of solution---------------------------- pH = 3.078 Charge balance - pe = 2.389 Adjusted to redox equilibrium + pe = 2.439 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 149 Density (g/cm³) = 0.99902 Volume (L) = 1.11283 @@ -7551,14 +7544,14 @@ H2Sg(g) 2.63 4.294e+02 0.207 0.000e+00 5.805e+00 5.805e+00 Total alkalinity (eq/kg) = 3.206e+00 Temperature (°C) = 90.00 Pressure (atm) = 444.10 - Electrical balance (eq) = 1.108e-15 + Electrical balance (eq) = 1.107e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 59 - Gamma iterations = 7 + Iterations = 91 + Gamma iterations = 6 Osmotic coefficient = 0.99999 Density of water = 0.98474 - Total H = 1.170122e+02 - Total O = 5.531150e+01 + Total H = 1.170098e+02 + Total O = 5.531027e+01 ----------------------------Distribution of species---------------------------- @@ -7566,14 +7559,14 @@ H2Sg(g) 2.63 4.294e+02 0.207 0.000e+00 5.805e+00 5.805e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 8.668e-04 8.354e-04 -3.062 -3.078 -0.016 0.00 - OH- 8.771e-10 8.453e-10 -9.057 -9.073 -0.016 (0) + OH- 8.772e-10 8.454e-10 -9.057 -9.073 -0.016 (0) H2O 5.551e+01 9.562e-01 1.744 -0.019 0.000 18.30 -H(0) 1.427e-14 - H2 7.134e-15 7.134e-15 -14.147 -14.147 0.000 (0) +H(0) 1.137e-14 + H2 5.684e-15 5.684e-15 -14.245 -14.245 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.367 -46.367 0.000 (0) + O2 0.000e+00 0.000e+00 -46.180 -46.180 0.000 (0) Sg 3.206e+00 - H2Sg 1.758e+00 1.758e+00 0.245 0.245 0.000 39.52 + H2Sg 1.758e+00 1.758e+00 0.245 0.245 -0.000 39.52 (H2Sg)2 7.234e-01 7.234e-01 -0.141 -0.141 0.000 43.99 HSg- 8.668e-04 8.354e-04 -3.062 -3.078 -0.016 20.50 @@ -7581,10 +7574,10 @@ Sg 3.206e+00 Phase SI** log IAP log K(363 K, 444 atm) - H2(g) -10.94 23.16 34.10 H2 + H2(g) -11.03 -11.03 0.00 H2 H2O(g) -0.07 -0.02 0.05 H2O Pressure 14.7 atm, phi 0.059 H2Sg(g) 1.95 -6.16 -8.11 H2Sg Pressure 429.4 atm, phi 0.207 - O2(g) -43.09 -46.37 -3.28 O2 + O2(g) -42.90 -46.18 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7618,7 +7611,7 @@ H2Sg(g) 2.62 4.194e+02 0.287 0.000e+00 4.776e+00 4.776e+00 ----------------------------Description of solution---------------------------- pH = 3.057 Charge balance - pe = 2.450 Adjusted to redox equilibrium + pe = 2.398 Adjusted to redox equilibrium Specific Conductance (µS/cm, 120°C) = 210 Density (g/cm³) = 0.98877 Volume (L) = 1.16045 @@ -7628,14 +7621,14 @@ H2Sg(g) 2.62 4.194e+02 0.287 0.000e+00 4.776e+00 4.776e+00 Total alkalinity (eq/kg) = 4.246e+00 Temperature (°C) = 120.00 Pressure (atm) = 444.10 - Electrical balance (eq) = -2.894e-18 + Electrical balance (eq) = -1.541e-21 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 49 - Gamma iterations = 6 + Gamma iterations = 5 Osmotic coefficient = 0.99999 Density of water = 0.96419 - Total H = 1.189065e+02 - Total O = 5.522898e+01 + Total H = 1.189040e+02 + Total O = 5.522774e+01 ----------------------------Distribution of species---------------------------- @@ -7643,12 +7636,12 @@ H2Sg(g) 2.62 4.194e+02 0.287 0.000e+00 4.776e+00 4.776e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.135e-04 8.770e-04 -3.039 -3.057 -0.018 0.00 - OH- 3.345e-09 3.212e-09 -8.476 -8.493 -0.018 (0) + OH- 3.346e-09 3.212e-09 -8.476 -8.493 -0.018 (0) H2O 5.551e+01 9.452e-01 1.744 -0.024 0.000 18.69 -H(0) 1.072e-14 - H2 5.360e-15 5.360e-15 -14.271 -14.271 0.000 (0) +H(0) 1.357e-14 + H2 6.786e-15 6.786e-15 -14.168 -14.168 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -40.093 -40.093 0.000 (0) + O2 0.000e+00 0.000e+00 -40.308 -40.308 0.000 (0) Sg 4.246e+00 H2Sg 2.010e+00 2.010e+00 0.303 0.303 0.000 41.56 (H2Sg)2 1.118e+00 1.118e+00 0.048 0.048 -0.000 40.86 @@ -7658,10 +7651,10 @@ Sg 4.246e+00 Phase SI** log IAP log K(393 K, 444 atm) - H2(g) -11.01 20.02 31.04 H2 + H2(g) -10.91 -10.91 0.00 H2 H2O(g) 0.37 -0.02 -0.40 H2O Pressure 24.7 atm, phi 0.095 H2Sg(g) 2.08 -6.11 -8.19 H2Sg Pressure 419.4 atm, phi 0.287 - O2(g) -36.68 -40.09 -3.41 O2 + O2(g) -36.89 -40.31 -3.41 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7695,7 +7688,7 @@ H2Sg(g) 2.61 4.052e+02 0.373 0.000e+00 3.376e+00 3.376e+00 ----------------------------Description of solution---------------------------- pH = 3.074 Charge balance - pe = 2.431 Adjusted to redox equilibrium + pe = 2.412 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 255 Density (g/cm³) = 0.98149 Volume (L) = 1.21974 @@ -7705,14 +7698,14 @@ H2Sg(g) 2.61 4.052e+02 0.373 0.000e+00 3.376e+00 3.376e+00 Total alkalinity (eq/kg) = 5.657e+00 Temperature (°C) = 150.00 Pressure (atm) = 444.10 - Electrical balance (eq) = 7.424e-19 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 51 - Gamma iterations = 4 + Electrical balance (eq) = -6.742e-19 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 52 + Gamma iterations = 6 Osmotic coefficient = 0.99999 Density of water = 0.94039 - Total H = 1.216197e+02 - Total O = 5.518560e+01 + Total H = 1.216172e+02 + Total O = 5.518437e+01 ----------------------------Distribution of species---------------------------- @@ -7722,10 +7715,10 @@ H2Sg(g) 2.61 4.052e+02 0.373 0.000e+00 3.376e+00 3.376e+00 H+ 8.808e-04 8.434e-04 -3.055 -3.074 -0.019 0.00 OH- 1.138e-08 1.089e-08 -7.944 -7.963 -0.019 (0) H2O 5.551e+01 9.300e-01 1.744 -0.032 0.000 19.16 -H(0) 9.854e-15 - H2 4.927e-15 4.927e-15 -14.307 -14.307 0.000 (0) -O(0) 2.802e-35 - O2 1.401e-35 1.401e-35 -34.854 -34.854 0.000 (0) +H(0) 1.074e-14 + H2 5.372e-15 5.372e-15 -14.270 -14.270 0.000 (0) +O(0) 2.302e-35 + O2 1.151e-35 1.151e-35 -34.939 -34.939 0.000 (0) Sg 5.657e+00 H2Sg 2.397e+00 2.397e+00 0.380 0.380 0.000 43.53 (H2Sg)2 1.630e+00 1.630e+00 0.212 0.212 0.000 36.30 @@ -7735,10 +7728,10 @@ Sg 5.657e+00 Phase SI** log IAP log K(423 K, 444 atm) - H2(g) -11.01 17.40 28.41 H2 + H2(g) -10.97 -10.97 0.00 H2 H2O(g) 0.73 -0.03 -0.76 H2O Pressure 38.9 atm, phi 0.139 H2Sg(g) 2.18 -6.15 -8.33 H2Sg Pressure 405.2 atm, phi 0.373 - O2(g) -31.33 -34.85 -3.53 O2 + O2(g) -31.41 -34.94 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7772,7 +7765,7 @@ H2Sg(g) 2.59 3.860e+02 0.461 0.000e+00 1.613e+00 1.613e+00 ----------------------------Description of solution---------------------------- pH = 3.122 Charge balance - pe = 2.369 Adjusted to redox equilibrium + pe = 2.205 Adjusted to redox equilibrium Specific Conductance (µS/cm, 180°C) = 275 Density (g/cm³) = 0.97912 Volume (L) = 1.28916 @@ -7782,14 +7775,14 @@ H2Sg(g) 2.59 3.860e+02 0.461 0.000e+00 1.613e+00 1.613e+00 Total alkalinity (eq/kg) = 7.419e+00 Temperature (°C) = 180.00 Pressure (atm) = 444.10 - Electrical balance (eq) = 4.645e-19 + Electrical balance (eq) = 5.592e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 69 + Iterations = 43 Gamma iterations = 8 Osmotic coefficient = 1.00000 Density of water = 0.91351 - Total H = 1.253070e+02 - Total O = 5.526687e+01 + Total H = 1.253045e+02 + Total O = 5.526564e+01 ----------------------------Distribution of species---------------------------- @@ -7799,10 +7792,10 @@ H2Sg(g) 2.59 3.860e+02 0.461 0.000e+00 1.613e+00 1.613e+00 H+ 7.889e-04 7.544e-04 -3.103 -3.122 -0.019 0.00 OH- 3.533e-08 3.378e-08 -7.452 -7.471 -0.019 (0) H2O 5.551e+01 9.110e-01 1.744 -0.040 0.000 19.72 -H(0) 9.696e-15 - H2 4.848e-15 4.848e-15 -14.314 -14.314 0.000 (0) -O(0) 8.694e-31 - O2 4.347e-31 4.347e-31 -30.362 -30.362 0.000 (0) +H(0) 2.060e-14 + H2 1.030e-14 1.030e-14 -13.987 -13.987 0.000 (0) +O(0) 1.881e-31 + O2 9.407e-32 9.407e-32 -31.027 -31.027 0.000 (0) Sg 7.419e+00 H2Sg 2.921e+00 2.921e+00 0.466 0.466 0.000 45.74 (H2Sg)2 2.249e+00 2.249e+00 0.352 0.352 0.000 29.58 @@ -7812,10 +7805,10 @@ Sg 7.419e+00 Phase SI** log IAP log K(453 K, 444 atm) - H2(g) -10.98 15.14 26.12 H2 + H2(g) -10.66 -10.66 0.00 H2 H2O(g) 1.03 -0.04 -1.07 H2O Pressure 58.1 atm, phi 0.186 H2Sg(g) 2.25 -6.24 -8.49 H2Sg Pressure 386.0 atm, phi 0.461 - O2(g) -26.73 -30.36 -3.63 O2 + O2(g) -27.40 -31.03 -3.63 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7872,7 +7865,7 @@ H2Sg(g) 2.69 4.891e+02 0.079 0.000e+00 6.658e+00 6.658e+00 ----------------------------Description of solution---------------------------- pH = 3.261 Charge balance - pe = 2.280 Adjusted to redox equilibrium + pe = 1.284 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 39 Density (g/cm³) = 1.02774 Volume (L) = 1.05420 @@ -7882,14 +7875,14 @@ H2Sg(g) 2.69 4.891e+02 0.079 0.000e+00 6.658e+00 6.658e+00 Total alkalinity (eq/kg) = 2.344e+00 Temperature (°C) = 30.00 Pressure (atm) = 493.50 - Electrical balance (eq) = 3.297e-16 + Electrical balance (eq) = 2.025e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 54 - Gamma iterations = 6 + Iterations = 53 + Gamma iterations = 8 Osmotic coefficient = 1.00000 Density of water = 1.01677 - Total H = 1.155832e+02 - Total O = 5.544968e+01 + Total H = 1.155807e+02 + Total O = 5.544845e+01 ----------------------------Distribution of species---------------------------- @@ -7899,10 +7892,10 @@ H2Sg(g) 2.69 4.891e+02 0.079 0.000e+00 6.658e+00 6.658e+00 H+ 5.625e-04 5.478e-04 -3.250 -3.261 -0.012 0.00 OH- 3.718e-11 3.620e-11 -10.430 -10.441 -0.012 (0) H2O 5.551e+01 9.632e-01 1.744 -0.016 0.000 17.72 -H(0) 1.335e-14 - H2 6.674e-15 6.674e-15 -14.176 -14.176 0.000 (0) +H(0) 1.310e-12 + H2 6.548e-13 6.548e-13 -12.184 -12.184 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.924 -61.924 0.000 (0) + O2 0.000e+00 0.000e+00 -65.918 -65.918 0.000 (0) Sg 2.344e+00 H2Sg 1.812e+00 1.812e+00 0.258 0.258 0.000 32.41 (H2Sg)2 2.658e-01 2.658e-01 -0.575 -0.575 0.000 49.26 @@ -7912,10 +7905,10 @@ Sg 2.344e+00 Phase SI** log IAP log K(303 K, 494 atm) - H2(g) -11.08 30.95 42.03 H2 + H2(g) -9.09 -9.09 0.00 H2 H2O(g) -1.24 -0.02 1.22 H2O Pressure 4.4 atm, phi 0.013 H2Sg(g) 1.58 -6.52 -8.11 H2Sg Pressure 489.1 atm, phi 0.079 - O2(g) -58.99 -61.92 -2.94 O2 + O2(g) -62.98 -65.92 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -7949,7 +7942,7 @@ H2Sg(g) 2.69 4.846e+02 0.133 0.000e+00 6.411e+00 6.411e+00 ----------------------------Description of solution---------------------------- pH = 3.138 Charge balance - pe = 2.382 Adjusted to redox equilibrium + pe = 2.116 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 88 Density (g/cm³) = 1.01325 Volume (L) = 1.07706 @@ -7959,14 +7952,14 @@ H2Sg(g) 2.69 4.846e+02 0.133 0.000e+00 6.411e+00 6.411e+00 Total alkalinity (eq/kg) = 2.595e+00 Temperature (°C) = 60.00 Pressure (atm) = 493.50 - Electrical balance (eq) = 8.939e-16 + Electrical balance (eq) = 8.950e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 47 Gamma iterations = 5 Osmotic coefficient = 0.99999 Density of water = 1.00376 - Total H = 1.159623e+02 - Total O = 5.539205e+01 + Total H = 1.159598e+02 + Total O = 5.539081e+01 ----------------------------Distribution of species---------------------------- @@ -7974,12 +7967,12 @@ H2Sg(g) 2.69 4.846e+02 0.133 0.000e+00 6.411e+00 6.411e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 7.514e-04 7.276e-04 -3.124 -3.138 -0.014 0.00 - OH- 2.009e-10 1.946e-10 -9.697 -9.711 -0.014 (0) + OH- 2.010e-10 1.946e-10 -9.697 -9.711 -0.014 (0) H2O 5.551e+01 9.622e-01 1.744 -0.017 0.000 17.95 -H(0) 1.269e-14 - H2 6.347e-15 6.347e-15 -14.197 -14.197 0.000 (0) +H(0) 4.315e-14 + H2 2.158e-14 2.158e-14 -13.666 -13.666 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.354 -53.354 0.000 (0) + O2 0.000e+00 0.000e+00 -54.427 -54.427 0.000 (0) Sg 2.595e+00 H2Sg 1.681e+00 1.681e+00 0.226 0.226 0.000 36.43 (H2Sg)2 4.565e-01 4.565e-01 -0.341 -0.341 0.000 47.84 @@ -7989,10 +7982,10 @@ Sg 2.595e+00 Phase SI** log IAP log K(333 K, 494 atm) - H2(g) -11.04 26.66 37.70 H2 + H2(g) -10.51 -10.51 0.00 H2 H2O(g) -0.58 -0.02 0.57 H2O Pressure 8.9 atm, phi 0.029 H2Sg(g) 1.81 -6.28 -8.08 H2Sg Pressure 484.6 atm, phi 0.133 - O2(g) -50.23 -53.35 -3.12 O2 + O2(g) -51.30 -54.43 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8026,7 +8019,7 @@ H2Sg(g) 2.68 4.773e+02 0.200 0.000e+00 5.723e+00 5.723e+00 ----------------------------Description of solution---------------------------- pH = 3.070 Charge balance - pe = 2.466 Adjusted to redox equilibrium + pe = 2.444 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 151 Density (g/cm³) = 1.00123 Volume (L) = 1.11342 @@ -8036,14 +8029,14 @@ H2Sg(g) 2.68 4.773e+02 0.200 0.000e+00 5.723e+00 5.723e+00 Total alkalinity (eq/kg) = 3.289e+00 Temperature (°C) = 90.00 Pressure (atm) = 493.50 - Electrical balance (eq) = 1.023e-15 + Electrical balance (eq) = 1.388e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 50 - Gamma iterations = 5 + Iterations = 65 + Gamma iterations = 9 Osmotic coefficient = 0.99999 Density of water = 0.98677 - Total H = 1.171858e+02 - Total O = 5.531567e+01 + Total H = 1.171833e+02 + Total O = 5.531443e+01 ----------------------------Distribution of species---------------------------- @@ -8051,12 +8044,12 @@ H2Sg(g) 2.68 4.773e+02 0.200 0.000e+00 5.723e+00 5.723e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 8.828e-04 8.506e-04 -3.054 -3.070 -0.016 0.00 - OH- 8.867e-10 8.544e-10 -9.052 -9.068 -0.016 (0) + OH- 8.868e-10 8.544e-10 -9.052 -9.068 -0.016 (0) H2O 5.551e+01 9.553e-01 1.744 -0.020 0.000 18.26 -H(0) 1.041e-14 - H2 5.207e-15 5.207e-15 -14.283 -14.283 0.000 (0) +H(0) 1.151e-14 + H2 5.754e-15 5.754e-15 -14.240 -14.240 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.069 -46.069 0.000 (0) + O2 0.000e+00 0.000e+00 -46.166 -46.166 0.000 (0) Sg 3.289e+00 H2Sg 1.783e+00 1.783e+00 0.251 0.251 -0.000 38.97 (H2Sg)2 7.524e-01 7.524e-01 -0.124 -0.124 0.000 45.73 @@ -8066,10 +8059,10 @@ Sg 3.289e+00 Phase SI** log IAP log K(363 K, 494 atm) - H2(g) -11.07 23.01 34.09 H2 + H2(g) -11.03 -11.03 0.00 H2 H2O(g) -0.05 -0.02 0.03 H2O Pressure 16.2 atm, phi 0.055 H2Sg(g) 1.98 -6.14 -8.12 H2Sg Pressure 477.3 atm, phi 0.200 - O2(g) -42.79 -46.07 -3.28 O2 + O2(g) -42.89 -46.17 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8103,7 +8096,7 @@ H2Sg(g) 2.67 4.663e+02 0.277 0.000e+00 4.623e+00 4.623e+00 ----------------------------Description of solution---------------------------- pH = 3.048 Charge balance - pe = 2.449 Adjusted to redox equilibrium + pe = 2.454 Adjusted to redox equilibrium Specific Conductance (µS/cm, 120°C) = 214 Density (g/cm³) = 0.99141 Volume (L) = 1.16311 @@ -8113,14 +8106,14 @@ H2Sg(g) 2.67 4.663e+02 0.277 0.000e+00 4.623e+00 4.623e+00 Total alkalinity (eq/kg) = 4.398e+00 Temperature (°C) = 120.00 Pressure (atm) = 493.50 - Electrical balance (eq) = 2.957e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 91 - Gamma iterations = 13 + Electrical balance (eq) = -2.717e-19 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 52 + Gamma iterations = 6 Osmotic coefficient = 0.99999 Density of water = 0.96637 - Total H = 1.192333e+02 - Total O = 5.523996e+01 + Total H = 1.192309e+02 + Total O = 5.523873e+01 ----------------------------Distribution of species---------------------------- @@ -8130,12 +8123,12 @@ H2Sg(g) 2.67 4.663e+02 0.277 0.000e+00 4.623e+00 4.623e+00 H+ 9.326e-04 8.952e-04 -3.030 -3.048 -0.018 0.00 OH- 3.366e-09 3.231e-09 -8.473 -8.491 -0.018 (0) H2O 5.551e+01 9.436e-01 1.744 -0.025 0.000 18.64 -H(0) 1.121e-14 - H2 5.606e-15 5.606e-15 -14.251 -14.251 0.000 (0) +H(0) 1.096e-14 + H2 5.478e-15 5.478e-15 -14.261 -14.261 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -40.109 -40.109 0.000 (0) + O2 0.000e+00 0.000e+00 -40.100 -40.100 0.000 (0) Sg 4.398e+00 - H2Sg 2.043e+00 2.043e+00 0.310 0.310 -0.000 40.98 + H2Sg 2.043e+00 2.043e+00 0.310 0.310 0.000 40.98 (H2Sg)2 1.177e+00 1.177e+00 0.071 0.071 0.000 42.69 HSg- 9.326e-04 8.952e-04 -3.030 -3.048 -0.018 19.19 @@ -8143,10 +8136,10 @@ Sg 4.398e+00 Phase SI** log IAP log K(393 K, 494 atm) - H2(g) -10.99 20.03 31.02 H2 + H2(g) -11.00 -11.00 0.00 H2 H2O(g) 0.38 -0.03 -0.41 H2O Pressure 27.2 atm, phi 0.089 H2Sg(g) 2.11 -6.10 -8.21 H2Sg Pressure 466.3 atm, phi 0.277 - O2(g) -36.70 -40.11 -3.41 O2 + O2(g) -36.69 -40.10 -3.41 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8180,7 +8173,7 @@ H2Sg(g) 2.65 4.506e+02 0.361 0.000e+00 3.099e+00 3.099e+00 ----------------------------Description of solution---------------------------- pH = 3.064 Charge balance - pe = 2.441 Adjusted to redox equilibrium + pe = 2.285 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 259 Density (g/cm³) = 0.98522 Volume (L) = 1.22579 @@ -8190,14 +8183,14 @@ H2Sg(g) 2.65 4.506e+02 0.361 0.000e+00 3.099e+00 3.099e+00 Total alkalinity (eq/kg) = 5.932e+00 Temperature (°C) = 150.00 Pressure (atm) = 493.50 - Electrical balance (eq) = 8.671e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 49 - Gamma iterations = 6 + Electrical balance (eq) = -1.189e-18 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 43 + Gamma iterations = 4 Osmotic coefficient = 0.99999 Density of water = 0.94280 - Total H = 1.222312e+02 - Total O = 5.521491e+01 + Total H = 1.222287e+02 + Total O = 5.521368e+01 ----------------------------Distribution of species---------------------------- @@ -8207,10 +8200,10 @@ H2Sg(g) 2.65 4.506e+02 0.361 0.000e+00 3.099e+00 3.099e+00 H+ 9.022e-04 8.637e-04 -3.045 -3.064 -0.019 0.00 OH- 1.138e-08 1.089e-08 -7.944 -7.963 -0.019 (0) H2O 5.551e+01 9.273e-01 1.744 -0.033 0.000 19.11 -H(0) 9.887e-15 - H2 4.943e-15 4.943e-15 -14.306 -14.306 0.000 (0) -O(0) 2.918e-35 - O2 1.459e-35 1.459e-35 -34.836 -34.836 0.000 (0) +H(0) 2.025e-14 + H2 1.013e-14 1.013e-14 -13.994 -13.994 0.000 (0) +O(0) 6.792e-36 + O2 3.396e-36 3.396e-36 -35.469 -35.469 0.000 (0) Sg 5.932e+00 H2Sg 2.446e+00 2.446e+00 0.389 0.389 0.000 42.89 (H2Sg)2 1.743e+00 1.743e+00 0.241 0.241 0.000 38.28 @@ -8220,10 +8213,10 @@ Sg 5.932e+00 Phase SI** log IAP log K(423 K, 494 atm) - H2(g) -11.01 17.39 28.39 H2 + H2(g) -10.70 -10.70 0.00 H2 H2O(g) 0.74 -0.03 -0.78 H2O Pressure 42.9 atm, phi 0.129 H2Sg(g) 2.21 -6.13 -8.34 H2Sg Pressure 450.6 atm, phi 0.361 - O2(g) -31.31 -34.84 -3.53 O2 + O2(g) -31.94 -35.47 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8257,7 +8250,7 @@ H2Sg(g) 2.63 4.296e+02 0.447 0.000e+00 1.129e+00 1.129e+00 ----------------------------Description of solution---------------------------- pH = 3.110 Charge balance - pe = 2.308 Adjusted to redox equilibrium + pe = 2.380 Adjusted to redox equilibrium Specific Conductance (µS/cm, 180°C) = 280 Density (g/cm³) = 0.98515 Volume (L) = 1.30040 @@ -8267,14 +8260,14 @@ H2Sg(g) 2.63 4.296e+02 0.447 0.000e+00 1.129e+00 1.129e+00 Total alkalinity (eq/kg) = 7.895e+00 Temperature (°C) = 180.00 Pressure (atm) = 493.50 - Electrical balance (eq) = 3.544e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 47 - Gamma iterations = 4 + Electrical balance (eq) = -2.018e-18 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 85 + Gamma iterations = 10 Osmotic coefficient = 1.00000 Density of water = 0.91623 - Total H = 1.264263e+02 - Total O = 5.534213e+01 + Total H = 1.264238e+02 + Total O = 5.534090e+01 ----------------------------Distribution of species---------------------------- @@ -8284,10 +8277,10 @@ H2Sg(g) 2.63 4.296e+02 0.447 0.000e+00 1.129e+00 1.129e+00 H+ 8.115e-04 7.757e-04 -3.091 -3.110 -0.020 0.00 OH- 3.508e-08 3.353e-08 -7.455 -7.475 -0.020 (0) H2O 5.551e+01 9.065e-01 1.744 -0.043 0.000 19.66 -H(0) 1.361e-14 - H2 6.803e-15 6.803e-15 -14.167 -14.167 0.000 (0) -O(0) 4.600e-31 - O2 2.300e-31 2.300e-31 -30.638 -30.638 0.000 (0) +H(0) 9.737e-15 + H2 4.869e-15 4.869e-15 -14.313 -14.313 0.000 (0) +O(0) 8.774e-31 + O2 4.387e-31 4.387e-31 -30.358 -30.358 0.000 (0) Sg 7.895e+00 H2Sg 2.997e+00 2.997e+00 0.477 0.477 0.000 45.04 (H2Sg)2 2.449e+00 2.449e+00 0.389 0.389 0.000 31.82 @@ -8297,10 +8290,10 @@ Sg 7.895e+00 Phase SI** log IAP log K(453 K, 494 atm) - H2(g) -10.84 15.28 26.11 H2 + H2(g) -10.98 -10.98 0.00 H2 H2O(g) 1.04 -0.04 -1.09 H2O Pressure 63.9 atm, phi 0.173 H2Sg(g) 2.28 -6.22 -8.50 H2Sg Pressure 429.6 atm, phi 0.447 - O2(g) -27.01 -30.64 -3.63 O2 + O2(g) -26.73 -30.36 -3.63 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8357,7 +8350,7 @@ H2Sg(g) 2.73 5.380e+02 0.077 0.000e+00 6.620e+00 6.620e+00 ----------------------------Description of solution---------------------------- pH = 3.255 Charge balance - pe = 2.344 Adjusted to redox equilibrium + pe = 2.313 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 40 Density (g/cm³) = 1.03011 Volume (L) = 1.05314 @@ -8367,14 +8360,14 @@ H2Sg(g) 2.73 5.380e+02 0.077 0.000e+00 6.620e+00 6.620e+00 Total alkalinity (eq/kg) = 2.383e+00 Temperature (°C) = 30.00 Pressure (atm) = 542.80 - Electrical balance (eq) = 5.025e-15 + Electrical balance (eq) = 1.959e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 49 - Gamma iterations = 8 + Iterations = 71 + Gamma iterations = 18 Osmotic coefficient = 1.00000 Density of water = 1.01878 - Total H = 1.156618e+02 - Total O = 5.545051e+01 + Total H = 1.156593e+02 + Total O = 5.544928e+01 ----------------------------Distribution of species---------------------------- @@ -8382,12 +8375,12 @@ H2Sg(g) 2.73 5.380e+02 0.077 0.000e+00 6.620e+00 6.620e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 5.713e-04 5.562e-04 -3.243 -3.255 -0.012 0.00 - OH- 3.787e-11 3.687e-11 -10.422 -10.433 -0.012 (0) + OH- 3.787e-11 3.688e-11 -10.422 -10.433 -0.012 (0) H2O 5.551e+01 9.626e-01 1.744 -0.017 0.000 17.68 -H(0) 1.025e-14 - H2 5.125e-15 5.125e-15 -14.290 -14.290 0.000 (0) +H(0) 1.183e-14 + H2 5.917e-15 5.917e-15 -14.228 -14.228 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.665 -61.665 0.000 (0) + O2 0.000e+00 0.000e+00 -61.800 -61.800 0.000 (0) Sg 2.383e+00 H2Sg 1.844e+00 1.844e+00 0.266 0.266 0.000 32.00 (H2Sg)2 2.691e-01 2.691e-01 -0.570 -0.570 0.000 50.86 @@ -8397,10 +8390,10 @@ Sg 2.383e+00 Phase SI** log IAP log K(303 K, 543 atm) - H2(g) -11.20 30.82 42.01 H2 + H2(g) -11.14 -11.14 0.00 H2 H2O(g) -1.23 -0.02 1.21 H2O Pressure 4.8 atm, phi 0.012 H2Sg(g) 1.62 -6.51 -8.13 H2Sg Pressure 538.0 atm, phi 0.077 - O2(g) -58.73 -61.67 -2.94 O2 + O2(g) -58.87 -61.80 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8434,7 +8427,7 @@ H2Sg(g) 2.73 5.331e+02 0.129 0.000e+00 6.367e+00 6.367e+00 ----------------------------Description of solution---------------------------- pH = 3.131 Charge balance - pe = 2.384 Adjusted to redox equilibrium + pe = 2.029 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 90 Density (g/cm³) = 1.01532 Volume (L) = 1.07645 @@ -8444,14 +8437,14 @@ H2Sg(g) 2.73 5.331e+02 0.129 0.000e+00 6.367e+00 6.367e+00 Total alkalinity (eq/kg) = 2.638e+00 Temperature (°C) = 60.00 Pressure (atm) = 542.80 - Electrical balance (eq) = 1.179e-18 + Electrical balance (eq) = 8.554e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 79 - Gamma iterations = 8 + Iterations = 47 + Gamma iterations = 5 Osmotic coefficient = 0.99999 Density of water = 1.00571 - Total H = 1.160535e+02 - Total O = 5.539375e+01 + Total H = 1.160510e+02 + Total O = 5.539252e+01 ----------------------------Distribution of species---------------------------- @@ -8461,10 +8454,10 @@ H2Sg(g) 2.73 5.331e+02 0.129 0.000e+00 6.367e+00 6.367e+00 H+ 7.636e-04 7.393e-04 -3.117 -3.131 -0.014 0.00 OH- 2.040e-10 1.975e-10 -9.690 -9.704 -0.014 (0) H2O 5.551e+01 9.616e-01 1.744 -0.017 0.000 17.91 -H(0) 1.298e-14 - H2 6.488e-15 6.488e-15 -14.188 -14.188 0.000 (0) +H(0) 6.655e-14 + H2 3.327e-14 3.327e-14 -13.478 -13.478 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.346 -53.346 0.000 (0) + O2 0.000e+00 0.000e+00 -54.776 -54.776 0.000 (0) Sg 2.638e+00 H2Sg 1.705e+00 1.705e+00 0.232 0.232 0.000 35.95 (H2Sg)2 4.666e-01 4.666e-01 -0.331 -0.331 0.000 49.47 @@ -8474,10 +8467,10 @@ Sg 2.638e+00 Phase SI** log IAP log K(333 K, 543 atm) - H2(g) -11.03 26.66 37.69 H2 + H2(g) -10.32 -10.32 0.00 H2 H2O(g) -0.57 -0.02 0.55 H2O Pressure 9.7 atm, phi 0.028 H2Sg(g) 1.84 -6.26 -8.10 H2Sg Pressure 533.1 atm, phi 0.129 - O2(g) -50.22 -53.35 -3.12 O2 + O2(g) -51.65 -54.78 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8511,7 +8504,7 @@ H2Sg(g) 2.72 5.251e+02 0.195 0.000e+00 5.648e+00 5.648e+00 ----------------------------Description of solution---------------------------- pH = 3.063 Charge balance - pe = 2.319 Adjusted to redox equilibrium + pe = 2.074 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 153 Density (g/cm³) = 1.00326 Volume (L) = 1.11393 @@ -8521,14 +8514,14 @@ H2Sg(g) 2.72 5.251e+02 0.195 0.000e+00 5.648e+00 5.648e+00 Total alkalinity (eq/kg) = 3.364e+00 Temperature (°C) = 90.00 Pressure (atm) = 542.80 - Electrical balance (eq) = 2.545e-14 + Electrical balance (eq) = 1.366e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 51 - Gamma iterations = 6 + Iterations = 61 + Gamma iterations = 10 Osmotic coefficient = 0.99999 Density of water = 0.98877 - Total H = 1.173434e+02 - Total O = 5.531972e+01 + Total H = 1.173410e+02 + Total O = 5.531849e+01 ----------------------------Distribution of species---------------------------- @@ -8536,12 +8529,12 @@ H2Sg(g) 2.72 5.251e+02 0.195 0.000e+00 5.648e+00 5.648e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 8.985e-04 8.656e-04 -3.046 -3.063 -0.016 0.00 - OH- 8.969e-10 8.640e-10 -9.047 -9.063 -0.016 (0) + OH- 8.969e-10 8.641e-10 -9.047 -9.063 -0.016 (0) H2O 5.551e+01 9.545e-01 1.744 -0.020 0.000 18.22 -H(0) 2.117e-14 - H2 1.059e-14 1.059e-14 -13.975 -13.975 0.000 (0) +H(0) 6.547e-14 + H2 3.274e-14 3.274e-14 -13.485 -13.485 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.660 -46.660 0.000 (0) + O2 0.000e+00 0.000e+00 -47.651 -47.651 0.000 (0) Sg 3.364e+00 H2Sg 1.809e+00 1.809e+00 0.257 0.257 0.000 38.45 (H2Sg)2 7.770e-01 7.770e-01 -0.110 -0.110 0.000 47.42 @@ -8551,10 +8544,10 @@ Sg 3.364e+00 Phase SI** log IAP log K(363 K, 543 atm) - H2(g) -10.76 23.31 34.07 H2 + H2(g) -10.27 -10.27 0.00 H2 H2O(g) -0.04 -0.02 0.02 H2O Pressure 17.7 atm, phi 0.052 H2Sg(g) 2.01 -6.13 -8.14 H2Sg Pressure 525.1 atm, phi 0.195 - O2(g) -43.38 -46.66 -3.28 O2 + O2(g) -44.37 -47.65 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8588,7 +8581,7 @@ H2Sg(g) 2.71 5.131e+02 0.270 0.000e+00 4.484e+00 4.484e+00 ----------------------------Description of solution---------------------------- pH = 3.040 Charge balance - pe = 2.444 Adjusted to redox equilibrium + pe = 2.453 Adjusted to redox equilibrium Specific Conductance (µS/cm, 120°C) = 217 Density (g/cm³) = 0.99372 Volume (L) = 1.16566 @@ -8598,14 +8591,14 @@ H2Sg(g) 2.71 5.131e+02 0.270 0.000e+00 4.484e+00 4.484e+00 Total alkalinity (eq/kg) = 4.537e+00 Temperature (°C) = 120.00 Pressure (atm) = 542.80 - Electrical balance (eq) = 3.413e-13 + Electrical balance (eq) = 1.089e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 91 - Gamma iterations = 8 + Iterations = 44 + Gamma iterations = 4 Osmotic coefficient = 0.99999 Density of water = 0.96851 - Total H = 1.195334e+02 - Total O = 5.525044e+01 + Total H = 1.195309e+02 + Total O = 5.524921e+01 ----------------------------Distribution of species---------------------------- @@ -8615,10 +8608,10 @@ H2Sg(g) 2.71 5.131e+02 0.270 0.000e+00 4.484e+00 4.484e+00 H+ 9.513e-04 9.129e-04 -3.022 -3.040 -0.018 0.00 OH- 3.389e-09 3.252e-09 -8.470 -8.488 -0.018 (0) H2O 5.551e+01 9.421e-01 1.744 -0.026 0.000 18.60 -H(0) 1.192e-14 - H2 5.961e-15 5.961e-15 -14.225 -14.225 0.000 (0) +H(0) 1.142e-14 + H2 5.709e-15 5.709e-15 -14.243 -14.243 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -40.140 -40.140 0.000 (0) + O2 0.000e+00 0.000e+00 -40.113 -40.113 0.000 (0) Sg 4.537e+00 H2Sg 2.076e+00 2.076e+00 0.317 0.317 0.000 40.42 (H2Sg)2 1.230e+00 1.230e+00 0.090 0.090 0.000 44.45 @@ -8628,10 +8621,10 @@ Sg 4.537e+00 Phase SI** log IAP log K(393 K, 543 atm) - H2(g) -10.97 20.04 31.01 H2 + H2(g) -10.99 -10.99 0.00 H2 H2O(g) 0.39 -0.03 -0.42 H2O Pressure 29.7 atm, phi 0.084 H2Sg(g) 2.14 -6.08 -8.22 H2Sg Pressure 513.1 atm, phi 0.270 - O2(g) -36.73 -40.14 -3.41 O2 + O2(g) -36.70 -40.11 -3.41 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8665,7 +8658,7 @@ H2Sg(g) 2.70 4.961e+02 0.352 0.000e+00 2.842e+00 2.842e+00 ----------------------------Description of solution---------------------------- pH = 3.054 Charge balance - pe = 2.406 Adjusted to redox equilibrium + pe = 2.429 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 264 Density (g/cm³) = 0.98839 Volume (L) = 1.23176 @@ -8675,14 +8668,14 @@ H2Sg(g) 2.70 4.961e+02 0.352 0.000e+00 2.842e+00 2.842e+00 Total alkalinity (eq/kg) = 6.188e+00 Temperature (°C) = 150.00 Pressure (atm) = 542.80 - Electrical balance (eq) = 1.799e-14 + Electrical balance (eq) = 9.131e-19 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 39 - Gamma iterations = 5 + Iterations = 45 + Gamma iterations = 4 Osmotic coefficient = 0.99999 Density of water = 0.94516 - Total H = 1.228007e+02 - Total O = 5.524241e+01 + Total H = 1.227983e+02 + Total O = 5.524118e+01 ----------------------------Distribution of species---------------------------- @@ -8692,10 +8685,10 @@ H2Sg(g) 2.70 4.961e+02 0.352 0.000e+00 2.842e+00 2.842e+00 H+ 9.229e-04 8.832e-04 -3.035 -3.054 -0.019 0.00 OH- 1.140e-08 1.091e-08 -7.943 -7.962 -0.019 (0) H2O 5.551e+01 9.247e-01 1.744 -0.034 0.000 19.06 -H(0) 1.213e-14 - H2 6.064e-15 6.064e-15 -14.217 -14.217 0.000 (0) -O(0) 2.033e-35 - O2 1.016e-35 1.016e-35 -34.993 -34.993 0.000 (0) +H(0) 1.093e-14 + H2 5.464e-15 5.464e-15 -14.263 -14.263 0.000 (0) +O(0) 2.447e-35 + O2 1.223e-35 1.223e-35 -34.912 -34.912 0.000 (0) Sg 6.188e+00 H2Sg 2.495e+00 2.495e+00 0.397 0.397 0.000 42.28 (H2Sg)2 1.846e+00 1.846e+00 0.266 0.266 0.000 40.19 @@ -8705,10 +8698,10 @@ Sg 6.188e+00 Phase SI** log IAP log K(423 K, 543 atm) - H2(g) -10.92 17.46 28.38 H2 + H2(g) -10.97 -10.97 0.00 H2 H2O(g) 0.75 -0.03 -0.79 H2O Pressure 46.7 atm, phi 0.122 H2Sg(g) 2.24 -6.11 -8.35 H2Sg Pressure 496.1 atm, phi 0.352 - O2(g) -31.46 -34.99 -3.53 O2 + O2(g) -31.38 -34.91 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8742,7 +8735,7 @@ H2Sg(g) 2.68 4.735e+02 0.437 0.000e+00 6.700e-01 6.700e-01 ----------------------------Description of solution---------------------------- pH = 3.099 Charge balance - pe = 2.189 Adjusted to redox equilibrium + pe = 2.355 Adjusted to redox equilibrium Specific Conductance (µS/cm, 180°C) = 286 Density (g/cm³) = 0.99022 Volume (L) = 1.31174 @@ -8752,14 +8745,14 @@ H2Sg(g) 2.68 4.735e+02 0.437 0.000e+00 6.700e-01 6.700e-01 Total alkalinity (eq/kg) = 8.345e+00 Temperature (°C) = 180.00 Pressure (atm) = 542.80 - Electrical balance (eq) = -6.395e-19 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 60 - Gamma iterations = 6 + Electrical balance (eq) = 2.371e-19 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 85 + Gamma iterations = 9 Osmotic coefficient = 1.00000 Density of water = 0.91889 - Total H = 1.274839e+02 - Total O = 5.541192e+01 + Total H = 1.274814e+02 + Total O = 5.541069e+01 ----------------------------Distribution of species---------------------------- @@ -8769,23 +8762,23 @@ H2Sg(g) 2.68 4.735e+02 0.437 0.000e+00 6.700e-01 6.700e-01 H+ 8.332e-04 7.961e-04 -3.079 -3.099 -0.020 0.00 OH- 3.490e-08 3.335e-08 -7.457 -7.477 -0.020 (0) H2O 5.551e+01 9.023e-01 1.744 -0.045 0.000 19.61 -H(0) 2.471e-14 - H2 1.235e-14 1.235e-14 -13.908 -13.908 0.000 (0) -O(0) 1.453e-31 - O2 7.267e-32 7.267e-32 -31.139 -31.139 0.000 (0) +H(0) 1.152e-14 + H2 5.760e-15 5.760e-15 -14.240 -14.240 0.000 (0) +O(0) 6.531e-31 + O2 3.265e-31 3.265e-31 -30.486 -30.486 0.000 (0) Sg 8.345e+00 H2Sg 3.070e+00 3.070e+00 0.487 0.487 0.000 44.36 - (H2Sg)2 2.637e+00 2.637e+00 0.421 0.421 -0.000 33.97 + (H2Sg)2 2.637e+00 2.637e+00 0.421 0.421 0.000 33.97 HSg- 8.331e-04 7.961e-04 -3.079 -3.099 -0.020 13.85 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(453 K, 543 atm) - H2(g) -10.58 15.52 26.10 H2 + H2(g) -10.91 -10.91 0.00 H2 H2O(g) 1.05 -0.04 -1.10 H2O Pressure 69.3 atm, phi 0.162 H2Sg(g) 2.32 -6.20 -8.51 H2Sg Pressure 473.5 atm, phi 0.437 - O2(g) -27.51 -31.14 -3.63 O2 + O2(g) -26.86 -30.49 -3.63 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8842,7 +8835,7 @@ H2Sg(g) 2.77 5.869e+02 0.076 0.000e+00 6.582e+00 6.582e+00 ----------------------------Description of solution---------------------------- pH = 3.248 Charge balance - pe = 2.187 Adjusted to redox equilibrium + pe = 2.398 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 41 Density (g/cm³) = 1.03245 Volume (L) = 1.05207 @@ -8852,14 +8845,14 @@ H2Sg(g) 2.77 5.869e+02 0.076 0.000e+00 6.582e+00 6.582e+00 Total alkalinity (eq/kg) = 2.420e+00 Temperature (°C) = 30.00 Pressure (atm) = 592.10 - Electrical balance (eq) = 1.934e-16 + Electrical balance (eq) = 3.276e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 48 - Gamma iterations = 6 + Iterations = 53 + Gamma iterations = 7 Osmotic coefficient = 1.00000 Density of water = 1.02078 - Total H = 1.157378e+02 - Total O = 5.545134e+01 + Total H = 1.157354e+02 + Total O = 5.545011e+01 ----------------------------Distribution of species---------------------------- @@ -8867,14 +8860,14 @@ H2Sg(g) 2.77 5.869e+02 0.076 0.000e+00 6.582e+00 6.582e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 5.800e-04 5.647e-04 -3.237 -3.248 -0.012 0.00 - OH- 3.858e-11 3.756e-11 -10.414 -10.425 -0.012 (0) + OH- 3.859e-11 3.757e-11 -10.414 -10.425 -0.012 (0) H2O 5.551e+01 9.620e-01 1.744 -0.017 0.000 17.65 -H(0) 2.182e-14 - H2 1.091e-14 1.091e-14 -13.962 -13.962 0.000 (0) +H(0) 8.253e-15 + H2 4.126e-15 4.126e-15 -14.384 -14.384 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.292 -62.292 0.000 (0) + O2 0.000e+00 0.000e+00 -61.458 -61.458 0.000 (0) Sg 2.420e+00 - H2Sg 1.878e+00 1.878e+00 0.274 0.274 -0.000 31.59 + H2Sg 1.878e+00 1.878e+00 0.274 0.274 0.000 31.59 (H2Sg)2 2.708e-01 2.708e-01 -0.567 -0.567 0.000 52.42 HSg- 5.800e-04 5.647e-04 -3.237 -3.248 -0.012 20.98 @@ -8882,10 +8875,10 @@ Sg 2.420e+00 Phase SI** log IAP log K(303 K, 592 atm) - H2(g) -10.87 31.13 42.00 H2 + H2(g) -11.29 -11.29 0.00 H2 H2O(g) -1.21 -0.02 1.19 H2O Pressure 5.2 atm, phi 0.012 H2Sg(g) 1.65 -6.50 -8.14 H2Sg Pressure 586.9 atm, phi 0.076 - O2(g) -59.36 -62.29 -2.94 O2 + O2(g) -58.52 -61.46 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8919,7 +8912,7 @@ H2Sg(g) 2.76 5.816e+02 0.127 0.000e+00 6.327e+00 6.327e+00 ----------------------------Description of solution---------------------------- pH = 3.124 Charge balance - pe = 2.293 Adjusted to redox equilibrium + pe = 2.463 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 91 Density (g/cm³) = 1.01731 Volume (L) = 1.07580 @@ -8929,14 +8922,14 @@ H2Sg(g) 2.76 5.816e+02 0.127 0.000e+00 6.327e+00 6.327e+00 Total alkalinity (eq/kg) = 2.678e+00 Temperature (°C) = 60.00 Pressure (atm) = 592.10 - Electrical balance (eq) = -9.736e-19 + Electrical balance (eq) = -2.457e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 69 - Gamma iterations = 7 + Iterations = 77 + Gamma iterations = 6 Osmotic coefficient = 0.99999 Density of water = 1.00764 - Total H = 1.161365e+02 - Total O = 5.539544e+01 + Total H = 1.161341e+02 + Total O = 5.539421e+01 ----------------------------Distribution of species---------------------------- @@ -8946,10 +8939,10 @@ H2Sg(g) 2.76 5.816e+02 0.127 0.000e+00 6.327e+00 6.327e+00 H+ 7.758e-04 7.509e-04 -3.110 -3.124 -0.014 0.00 OH- 2.072e-10 2.006e-10 -9.684 -9.698 -0.014 (0) H2O 5.551e+01 9.611e-01 1.744 -0.017 0.000 17.88 -H(0) 2.040e-14 - H2 1.020e-14 1.020e-14 -13.991 -13.991 0.000 (0) +H(0) 9.319e-15 + H2 4.660e-15 4.660e-15 -14.332 -14.332 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.712 -53.712 0.000 (0) + O2 0.000e+00 0.000e+00 -53.042 -53.042 0.000 (0) Sg 2.678e+00 H2Sg 1.730e+00 1.730e+00 0.238 0.238 0.000 35.49 (H2Sg)2 4.738e-01 4.738e-01 -0.324 -0.324 0.000 51.06 @@ -8959,10 +8952,10 @@ Sg 2.678e+00 Phase SI** log IAP log K(333 K, 592 atm) - H2(g) -10.83 26.84 37.67 H2 + H2(g) -11.17 -11.17 0.00 H2 H2O(g) -0.56 -0.02 0.54 H2O Pressure 10.5 atm, phi 0.026 H2Sg(g) 1.87 -6.25 -8.12 H2Sg Pressure 581.6 atm, phi 0.127 - O2(g) -50.59 -53.71 -3.12 O2 + O2(g) -49.92 -53.04 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -8996,7 +8989,7 @@ H2Sg(g) 2.76 5.730e+02 0.191 0.000e+00 5.581e+00 5.581e+00 ----------------------------Description of solution---------------------------- pH = 3.055 Charge balance - pe = 2.333 Adjusted to redox equilibrium + pe = 2.313 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 155 Density (g/cm³) = 1.00513 Volume (L) = 1.11434 @@ -9006,14 +8999,14 @@ H2Sg(g) 2.76 5.730e+02 0.191 0.000e+00 5.581e+00 5.581e+00 Total alkalinity (eq/kg) = 3.430e+00 Temperature (°C) = 90.00 Pressure (atm) = 592.10 - Electrical balance (eq) = 1.386e-14 + Electrical balance (eq) = 8.772e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 61 - Gamma iterations = 8 + Iterations = 47 + Gamma iterations = 5 Osmotic coefficient = 0.99999 Density of water = 0.99075 - Total H = 1.174852e+02 - Total O = 5.532363e+01 + Total H = 1.174828e+02 + Total O = 5.532240e+01 ----------------------------Distribution of species---------------------------- @@ -9021,12 +9014,12 @@ H2Sg(g) 2.76 5.730e+02 0.191 0.000e+00 5.581e+00 5.581e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.140e-04 8.803e-04 -3.039 -3.055 -0.016 0.00 - OH- 9.076e-10 8.742e-10 -9.042 -9.058 -0.016 (0) + OH- 9.077e-10 8.742e-10 -9.042 -9.058 -0.016 (0) H2O 5.551e+01 9.537e-01 1.744 -0.021 0.000 18.18 -H(0) 2.058e-14 - H2 1.029e-14 1.029e-14 -13.988 -13.988 0.000 (0) +H(0) 2.251e-14 + H2 1.125e-14 1.125e-14 -13.949 -13.949 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.611 -46.611 0.000 (0) + O2 0.000e+00 0.000e+00 -46.699 -46.699 0.000 (0) Sg 3.430e+00 H2Sg 1.835e+00 1.835e+00 0.264 0.264 0.000 37.94 (H2Sg)2 7.971e-01 7.971e-01 -0.099 -0.099 0.000 49.05 @@ -9036,10 +9029,10 @@ Sg 3.430e+00 Phase SI** log IAP log K(363 K, 592 atm) - H2(g) -10.78 23.28 34.06 H2 + H2(g) -10.74 -10.74 0.00 H2 H2O(g) -0.03 -0.02 0.01 H2O Pressure 19.1 atm, phi 0.049 H2Sg(g) 2.04 -6.11 -8.15 H2Sg Pressure 573.0 atm, phi 0.191 - O2(g) -43.33 -46.61 -3.28 O2 + O2(g) -43.42 -46.70 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9073,7 +9066,7 @@ H2Sg(g) 2.75 5.600e+02 0.265 0.000e+00 4.357e+00 4.357e+00 ----------------------------Description of solution---------------------------- pH = 3.031 Charge balance - pe = 2.440 Adjusted to redox equilibrium + pe = 2.471 Adjusted to redox equilibrium Specific Conductance (µS/cm, 120°C) = 220 Density (g/cm³) = 0.99574 Volume (L) = 1.16807 @@ -9083,14 +9076,14 @@ H2Sg(g) 2.75 5.600e+02 0.265 0.000e+00 4.357e+00 4.357e+00 Total alkalinity (eq/kg) = 4.664e+00 Temperature (°C) = 120.00 Pressure (atm) = 592.10 - Electrical balance (eq) = 4.384e-19 + Electrical balance (eq) = 3.153e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 44 - Gamma iterations = 6 + Iterations = 45 + Gamma iterations = 7 Osmotic coefficient = 0.99999 Density of water = 0.97063 - Total H = 1.198064e+02 - Total O = 5.526029e+01 + Total H = 1.198039e+02 + Total O = 5.525905e+01 ----------------------------Distribution of species---------------------------- @@ -9098,12 +9091,12 @@ H2Sg(g) 2.75 5.600e+02 0.265 0.000e+00 4.357e+00 4.357e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.696e-04 9.302e-04 -3.013 -3.031 -0.018 0.00 - OH- 3.415e-09 3.277e-09 -8.467 -8.485 -0.018 (0) + OH- 3.416e-09 3.277e-09 -8.467 -8.485 -0.018 (0) H2O 5.551e+01 9.408e-01 1.744 -0.027 0.000 18.56 -H(0) 1.262e-14 - H2 6.311e-15 6.311e-15 -14.200 -14.200 0.000 (0) +H(0) 1.090e-14 + H2 5.451e-15 5.451e-15 -14.263 -14.263 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -40.167 -40.167 0.000 (0) + O2 0.000e+00 0.000e+00 -40.050 -40.050 0.000 (0) Sg 4.664e+00 H2Sg 2.111e+00 2.111e+00 0.324 0.324 0.000 39.87 (H2Sg)2 1.276e+00 1.276e+00 0.106 0.106 0.000 46.17 @@ -9113,10 +9106,10 @@ Sg 4.664e+00 Phase SI** log IAP log K(393 K, 592 atm) - H2(g) -10.94 20.06 31.00 H2 + H2(g) -11.01 -11.01 0.00 H2 H2O(g) 0.41 -0.03 -0.43 H2O Pressure 32.1 atm, phi 0.079 H2Sg(g) 2.17 -6.06 -8.23 H2Sg Pressure 560.0 atm, phi 0.265 - O2(g) -36.75 -40.17 -3.41 O2 + O2(g) -36.64 -40.05 -3.41 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9150,7 +9143,7 @@ H2Sg(g) 2.73 5.417e+02 0.345 0.000e+00 2.604e+00 2.604e+00 ----------------------------Description of solution---------------------------- pH = 3.045 Charge balance - pe = 2.291 Adjusted to redox equilibrium + pe = 2.431 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 268 Density (g/cm³) = 0.99104 Volume (L) = 1.23760 @@ -9160,14 +9153,14 @@ H2Sg(g) 2.73 5.417e+02 0.345 0.000e+00 2.604e+00 2.604e+00 Total alkalinity (eq/kg) = 6.424e+00 Temperature (°C) = 150.00 Pressure (atm) = 592.10 - Electrical balance (eq) = 3.433e-15 + Electrical balance (eq) = 7.138e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 55 - Gamma iterations = 6 + Gamma iterations = 5 Osmotic coefficient = 0.99999 Density of water = 0.94748 - Total H = 1.233275e+02 - Total O = 5.526788e+01 + Total H = 1.233251e+02 + Total O = 5.526664e+01 ----------------------------Distribution of species---------------------------- @@ -9177,10 +9170,10 @@ H2Sg(g) 2.73 5.417e+02 0.345 0.000e+00 2.604e+00 2.604e+00 H+ 9.430e-04 9.022e-04 -3.025 -3.045 -0.019 0.00 OH- 1.143e-08 1.093e-08 -7.942 -7.961 -0.019 (0) H2O 5.551e+01 9.224e-01 1.744 -0.035 0.000 19.01 -H(0) 2.153e-14 - H2 1.076e-14 1.076e-14 -13.968 -13.968 0.000 (0) -O(0) 6.765e-36 - O2 3.383e-36 3.383e-36 -35.471 -35.471 0.000 (0) +H(0) 1.129e-14 + H2 5.646e-15 5.646e-15 -14.248 -14.248 0.000 (0) +O(0) 2.403e-35 + O2 1.201e-35 1.201e-35 -34.920 -34.920 0.000 (0) Sg 6.424e+00 H2Sg 2.543e+00 2.543e+00 0.405 0.405 0.000 41.69 (H2Sg)2 1.940e+00 1.940e+00 0.288 0.288 0.000 42.03 @@ -9190,10 +9183,10 @@ Sg 6.424e+00 Phase SI** log IAP log K(423 K, 592 atm) - H2(g) -10.67 17.70 28.37 H2 + H2(g) -10.95 -10.95 0.00 H2 H2O(g) 0.76 -0.04 -0.80 H2O Pressure 50.4 atm, phi 0.115 H2Sg(g) 2.27 -6.09 -8.36 H2Sg Pressure 541.7 atm, phi 0.345 - O2(g) -31.94 -35.47 -3.53 O2 + O2(g) -31.39 -34.92 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9227,7 +9220,7 @@ H2Sg(g) 2.71 5.177e+02 0.429 0.000e+00 2.371e-01 2.371e-01 ----------------------------Description of solution---------------------------- pH = 3.088 Charge balance - pe = 2.245 Adjusted to redox equilibrium + pe = 2.381 Adjusted to redox equilibrium Specific Conductance (µS/cm, 180°C) = 291 Density (g/cm³) = 0.99440 Volume (L) = 1.32310 @@ -9237,14 +9230,14 @@ H2Sg(g) 2.71 5.177e+02 0.429 0.000e+00 2.371e-01 2.371e-01 Total alkalinity (eq/kg) = 8.768e+00 Temperature (°C) = 180.00 Pressure (atm) = 592.10 - Electrical balance (eq) = -5.148e-19 + Electrical balance (eq) = -1.025e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 49 + Iterations = 33 Gamma iterations = 3 Osmotic coefficient = 1.00000 Density of water = 0.92150 - Total H = 1.284774e+02 - Total O = 5.547583e+01 + Total H = 1.284749e+02 + Total O = 5.547460e+01 ----------------------------Distribution of species---------------------------- @@ -9254,23 +9247,23 @@ H2Sg(g) 2.71 5.177e+02 0.429 0.000e+00 2.371e-01 2.371e-01 H+ 8.541e-04 8.159e-04 -3.068 -3.088 -0.020 0.00 OH- 3.478e-08 3.322e-08 -7.459 -7.479 -0.020 (0) H2O 5.551e+01 8.983e-01 1.744 -0.047 0.000 19.55 -H(0) 2.005e-14 - H2 1.003e-14 1.003e-14 -13.999 -13.999 0.000 (0) -O(0) 2.299e-31 - O2 1.150e-31 1.150e-31 -30.939 -30.939 0.000 (0) +H(0) 1.071e-14 + H2 5.357e-15 5.357e-15 -14.271 -14.271 0.000 (0) +O(0) 7.870e-31 + O2 3.935e-31 3.935e-31 -30.405 -30.405 0.000 (0) Sg 8.768e+00 H2Sg 3.141e+00 3.141e+00 0.497 0.497 0.000 43.71 - (H2Sg)2 2.813e+00 2.813e+00 0.449 0.449 0.000 36.05 + (H2Sg)2 2.813e+00 2.813e+00 0.449 0.449 -0.000 36.05 HSg- 8.541e-04 8.159e-04 -3.068 -3.088 -0.020 14.10 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(453 K, 592 atm) - H2(g) -10.67 15.42 26.09 H2 + H2(g) -10.94 -10.94 0.00 H2 H2O(g) 1.06 -0.05 -1.11 H2O Pressure 74.4 atm, phi 0.154 H2Sg(g) 2.35 -6.18 -8.52 H2Sg Pressure 517.7 atm, phi 0.429 - O2(g) -27.31 -30.94 -3.63 O2 + O2(g) -26.78 -30.41 -3.63 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9327,7 +9320,7 @@ H2Sg(g) 2.80 6.359e+02 0.075 0.000e+00 6.546e+00 6.546e+00 ----------------------------Description of solution---------------------------- pH = 3.242 Charge balance - pe = 2.202 Adjusted to redox equilibrium + pe = 2.209 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 41 Density (g/cm³) = 1.03476 Volume (L) = 1.05100 @@ -9337,14 +9330,14 @@ H2Sg(g) 2.80 6.359e+02 0.075 0.000e+00 6.546e+00 6.546e+00 Total alkalinity (eq/kg) = 2.456e+00 Temperature (°C) = 30.00 Pressure (atm) = 641.50 - Electrical balance (eq) = 2.004e-16 + Electrical balance (eq) = 1.282e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 64 - Gamma iterations = 9 + Iterations = 55 + Gamma iterations = 6 Osmotic coefficient = 1.00000 Density of water = 1.02275 - Total H = 1.158118e+02 - Total O = 5.545219e+01 + Total H = 1.158093e+02 + Total O = 5.545095e+01 ----------------------------Distribution of species---------------------------- @@ -9354,10 +9347,10 @@ H2Sg(g) 2.80 6.359e+02 0.075 0.000e+00 6.546e+00 6.546e+00 H+ 5.887e-04 5.731e-04 -3.230 -3.242 -0.012 0.00 OH- 3.932e-11 3.828e-11 -10.405 -10.417 -0.012 (0) H2O 5.551e+01 9.614e-01 1.744 -0.017 0.000 17.62 -H(0) 2.097e-14 - H2 1.048e-14 1.048e-14 -13.979 -13.979 0.000 (0) +H(0) 2.032e-14 + H2 1.016e-14 1.016e-14 -13.993 -13.993 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.229 -62.229 0.000 (0) + O2 0.000e+00 0.000e+00 -62.212 -62.212 0.000 (0) Sg 2.456e+00 H2Sg 1.914e+00 1.914e+00 0.282 0.282 0.000 31.20 (H2Sg)2 2.709e-01 2.709e-01 -0.567 -0.567 0.000 53.94 @@ -9367,10 +9360,10 @@ Sg 2.456e+00 Phase SI** log IAP log K(303 K, 642 atm) - H2(g) -10.89 31.10 41.98 H2 + H2(g) -10.90 -10.90 0.00 H2 H2O(g) -1.20 -0.02 1.18 H2O Pressure 5.6 atm, phi 0.011 H2Sg(g) 1.68 -6.48 -8.16 H2Sg Pressure 635.9 atm, phi 0.075 - O2(g) -59.29 -62.23 -2.94 O2 + O2(g) -59.28 -62.21 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9404,7 +9397,7 @@ H2Sg(g) 2.80 6.302e+02 0.126 0.000e+00 6.291e+00 6.291e+00 ----------------------------Description of solution---------------------------- pH = 3.118 Charge balance - pe = 2.171 Adjusted to redox equilibrium + pe = 2.468 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 92 Density (g/cm³) = 1.01923 Volume (L) = 1.07508 @@ -9414,14 +9407,14 @@ H2Sg(g) 2.80 6.302e+02 0.126 0.000e+00 6.291e+00 6.291e+00 Total alkalinity (eq/kg) = 2.714e+00 Temperature (°C) = 60.00 Pressure (atm) = 641.50 - Electrical balance (eq) = 7.851e-16 + Electrical balance (eq) = 1.192e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 46 - Gamma iterations = 5 + Iterations = 84 + Gamma iterations = 8 Osmotic coefficient = 0.99999 Density of water = 1.00956 - Total H = 1.162119e+02 - Total O = 5.539711e+01 + Total H = 1.162094e+02 + Total O = 5.539588e+01 ----------------------------Distribution of species---------------------------- @@ -9429,12 +9422,12 @@ H2Sg(g) 2.80 6.302e+02 0.126 0.000e+00 6.291e+00 6.291e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 7.878e-04 7.625e-04 -3.104 -3.118 -0.014 0.00 - OH- 2.105e-10 2.038e-10 -9.677 -9.691 -0.014 (0) + OH- 2.106e-10 2.038e-10 -9.677 -9.691 -0.014 (0) H2O 5.551e+01 9.605e-01 1.744 -0.018 0.000 17.85 -H(0) 3.676e-14 - H2 1.838e-14 1.838e-14 -13.736 -13.736 0.000 (0) +H(0) 9.383e-15 + H2 4.692e-15 4.692e-15 -14.329 -14.329 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -54.197 -54.197 0.000 (0) + O2 0.000e+00 0.000e+00 -53.021 -53.021 0.000 (0) Sg 2.714e+00 H2Sg 1.757e+00 1.757e+00 0.245 0.245 0.000 35.03 (H2Sg)2 4.784e-01 4.784e-01 -0.320 -0.320 0.000 52.60 @@ -9444,10 +9437,10 @@ Sg 2.714e+00 Phase SI** log IAP log K(333 K, 642 atm) - H2(g) -10.58 27.08 37.66 H2 + H2(g) -11.17 -11.17 0.00 H2 H2O(g) -0.54 -0.02 0.53 H2O Pressure 11.3 atm, phi 0.025 H2Sg(g) 1.90 -6.24 -8.13 H2Sg Pressure 630.2 atm, phi 0.126 - O2(g) -51.07 -54.20 -3.12 O2 + O2(g) -49.90 -53.02 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9481,7 +9474,7 @@ H2Sg(g) 2.79 6.210e+02 0.189 0.000e+00 5.522e+00 5.522e+00 ----------------------------Description of solution---------------------------- pH = 3.048 Charge balance - pe = 2.443 Adjusted to redox equilibrium + pe = 2.474 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 157 Density (g/cm³) = 1.00686 Volume (L) = 1.11462 @@ -9491,14 +9484,14 @@ H2Sg(g) 2.79 6.210e+02 0.189 0.000e+00 5.522e+00 5.522e+00 Total alkalinity (eq/kg) = 3.490e+00 Temperature (°C) = 90.00 Pressure (atm) = 641.50 - Electrical balance (eq) = 1.006e-19 + Electrical balance (eq) = 2.000e-19 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 52 - Gamma iterations = 6 + Iterations = 61 + Gamma iterations = 7 Osmotic coefficient = 0.99999 Density of water = 0.99271 - Total H = 1.176115e+02 - Total O = 5.532736e+01 + Total H = 1.176090e+02 + Total O = 5.532612e+01 ----------------------------Distribution of species---------------------------- @@ -9508,10 +9501,10 @@ H2Sg(g) 2.79 6.210e+02 0.189 0.000e+00 5.522e+00 5.522e+00 H+ 9.294e-04 8.949e-04 -3.032 -3.048 -0.016 0.00 OH- 9.189e-10 8.849e-10 -9.037 -9.053 -0.016 (0) H2O 5.551e+01 9.529e-01 1.744 -0.021 0.000 18.15 -H(0) 1.281e-14 - H2 6.404e-15 6.404e-15 -14.194 -14.194 0.000 (0) +H(0) 1.111e-14 + H2 5.557e-15 5.557e-15 -14.255 -14.255 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.174 -46.174 0.000 (0) + O2 0.000e+00 0.000e+00 -46.061 -46.061 0.000 (0) Sg 3.490e+00 H2Sg 1.863e+00 1.863e+00 0.270 0.270 0.000 37.45 (H2Sg)2 8.127e-01 8.127e-01 -0.090 -0.090 0.000 50.64 @@ -9521,10 +9514,10 @@ Sg 3.490e+00 Phase SI** log IAP log K(363 K, 642 atm) - H2(g) -10.98 23.07 34.05 H2 + H2(g) -11.04 -11.04 0.00 H2 H2O(g) -0.02 -0.02 -0.01 H2O Pressure 20.5 atm, phi 0.047 H2Sg(g) 2.07 -6.10 -8.17 H2Sg Pressure 621.0 atm, phi 0.189 - O2(g) -42.89 -46.17 -3.28 O2 + O2(g) -42.78 -46.06 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9540,7 +9533,7 @@ Using temperature 5. Total pressure: 641.50 atmospheres (Peng-Robinson calculation) Gas volume: 1.88e-01 liters Molar volume: 4.20e-02 liters/mole - P * Vm / RT: 0.83483 (Compressibility Factor Z) + P * Vm / RT: 0.83484 (Compressibility Factor Z) Moles in gas ---------------------------------- @@ -9558,7 +9551,7 @@ H2Sg(g) 2.78 6.071e+02 0.261 0.000e+00 4.243e+00 4.243e+00 ----------------------------Description of solution---------------------------- pH = 3.024 Charge balance - pe = 2.364 Adjusted to redox equilibrium + pe = 2.408 Adjusted to redox equilibrium Specific Conductance (µS/cm, 120°C) = 223 Density (g/cm³) = 0.99749 Volume (L) = 1.17030 @@ -9568,14 +9561,14 @@ H2Sg(g) 2.78 6.071e+02 0.261 0.000e+00 4.243e+00 4.243e+00 Total alkalinity (eq/kg) = 4.777e+00 Temperature (°C) = 120.00 Pressure (atm) = 641.50 - Electrical balance (eq) = 4.120e-13 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 45 + Electrical balance (eq) = -1.492e-18 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 48 Gamma iterations = 5 Osmotic coefficient = 0.99999 Density of water = 0.97272 - Total H = 1.200524e+02 - Total O = 5.526944e+01 + Total H = 1.200499e+02 + Total O = 5.526821e+01 ----------------------------Distribution of species---------------------------- @@ -9585,23 +9578,23 @@ H2Sg(g) 2.78 6.071e+02 0.261 0.000e+00 4.243e+00 4.243e+00 H+ 9.876e-04 9.472e-04 -3.005 -3.024 -0.018 0.00 OH- 3.444e-09 3.303e-09 -8.463 -8.481 -0.018 (0) H2O 5.551e+01 9.395e-01 1.744 -0.027 0.000 18.52 -H(0) 1.855e-14 - H2 9.273e-15 9.273e-15 -14.033 -14.033 0.000 (0) +H(0) 1.512e-14 + H2 7.558e-15 7.558e-15 -14.122 -14.122 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -40.478 -40.478 0.000 (0) + O2 0.000e+00 0.000e+00 -40.311 -40.311 0.000 (0) Sg 4.777e+00 H2Sg 2.146e+00 2.146e+00 0.332 0.332 0.000 39.34 - (H2Sg)2 1.315e+00 1.315e+00 0.119 0.119 0.000 47.83 + (H2Sg)2 1.315e+00 1.315e+00 0.119 0.119 -0.000 47.83 HSg- 9.876e-04 9.472e-04 -3.005 -3.024 -0.018 19.36 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(393 K, 642 atm) - H2(g) -10.78 20.21 30.99 H2 + H2(g) -10.86 -10.86 0.00 H2 H2O(g) 0.42 -0.03 -0.44 H2O Pressure 34.4 atm, phi 0.076 H2Sg(g) 2.20 -6.05 -8.25 H2Sg Pressure 607.1 atm, phi 0.261 - O2(g) -37.06 -40.48 -3.41 O2 + O2(g) -36.90 -40.31 -3.41 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9635,7 +9628,7 @@ H2Sg(g) 2.77 5.876e+02 0.340 0.000e+00 2.386e+00 2.386e+00 ----------------------------Description of solution---------------------------- pH = 3.036 Charge balance - pe = 8.244 Adjusted to redox equilibrium + pe = 2.155 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 272 Density (g/cm³) = 0.99321 Volume (L) = 1.24324 @@ -9645,14 +9638,14 @@ H2Sg(g) 2.77 5.876e+02 0.340 0.000e+00 2.386e+00 2.386e+00 Total alkalinity (eq/kg) = 6.640e+00 Temperature (°C) = 150.00 Pressure (atm) = 641.50 - Electrical balance (eq) = 9.351e-15 + Electrical balance (eq) = 9.350e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 39 + Iterations = 41 Gamma iterations = 4 Osmotic coefficient = 0.99999 Density of water = 0.94978 - Total H = 1.238108e+02 - Total O = 5.529116e+01 + Total H = 1.238083e+02 + Total O = 5.528993e+01 ----------------------------Distribution of species---------------------------- @@ -9662,23 +9655,23 @@ H2Sg(g) 2.77 5.876e+02 0.340 0.000e+00 2.386e+00 2.386e+00 H+ 9.628e-04 9.209e-04 -3.016 -3.036 -0.019 0.00 OH- 1.147e-08 1.097e-08 -7.940 -7.960 -0.019 (0) H2O 5.551e+01 9.202e-01 1.744 -0.036 0.000 18.97 -H(0) 2.781e-26 - H2 1.391e-26 1.391e-26 -25.857 -25.857 0.000 (0) -O(0) 4.251e-12 - O2 2.125e-12 2.125e-12 -11.673 -11.673 0.000 (0) +H(0) 4.183e-14 + H2 2.092e-14 2.092e-14 -13.680 -13.680 0.000 (0) +O(0) 1.836e-36 + O2 9.180e-37 9.180e-37 -36.037 -36.037 0.000 (0) Sg 6.640e+00 H2Sg 2.591e+00 2.591e+00 0.414 0.414 0.000 41.12 - (H2Sg)2 2.024e+00 2.024e+00 0.306 0.306 -0.000 43.83 + (H2Sg)2 2.024e+00 2.024e+00 0.306 0.306 0.000 43.83 HSg- 9.627e-04 9.208e-04 -3.016 -3.036 -0.019 17.37 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(423 K, 642 atm) - H2(g) -22.56 5.80 28.36 H2 + H2(g) -10.38 -10.38 0.00 H2 H2O(g) 0.77 -0.04 -0.81 H2O Pressure 53.9 atm, phi 0.110 H2Sg(g) 2.30 -6.07 -8.37 H2Sg Pressure 587.6 atm, phi 0.340 - O2(g) -8.14 -11.67 -3.53 O2 + O2(g) -32.51 -36.04 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9735,7 +9728,7 @@ H2Sg(g) 2.84 6.848e+02 0.075 0.000e+00 6.511e+00 6.511e+00 ----------------------------Description of solution---------------------------- pH = 3.235 Charge balance - pe = 2.196 Adjusted to redox equilibrium + pe = 2.393 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 42 Density (g/cm³) = 1.03705 Volume (L) = 1.04991 @@ -9745,14 +9738,14 @@ H2Sg(g) 2.84 6.848e+02 0.075 0.000e+00 6.511e+00 6.511e+00 Total alkalinity (eq/kg) = 2.491e+00 Temperature (°C) = 30.00 Pressure (atm) = 690.80 - Electrical balance (eq) = 2.962e-16 + Electrical balance (eq) = 3.799e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 79 - Gamma iterations = 5 + Iterations = 50 + Gamma iterations = 8 Osmotic coefficient = 1.00000 Density of water = 1.02471 - Total H = 1.158837e+02 - Total O = 5.545303e+01 + Total H = 1.158813e+02 + Total O = 5.545180e+01 ----------------------------Distribution of species---------------------------- @@ -9762,10 +9755,10 @@ H2Sg(g) 2.84 6.848e+02 0.075 0.000e+00 6.511e+00 6.511e+00 H+ 5.974e-04 5.814e-04 -3.224 -3.235 -0.012 0.00 OH- 4.007e-11 3.900e-11 -10.397 -10.409 -0.012 (0) H2O 5.551e+01 9.608e-01 1.744 -0.017 0.000 17.58 -H(0) 2.216e-14 - H2 1.108e-14 1.108e-14 -13.955 -13.955 0.000 (0) +H(0) 8.948e-15 + H2 4.474e-15 4.474e-15 -14.349 -14.349 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.248 -62.248 0.000 (0) + O2 0.000e+00 0.000e+00 -61.470 -61.470 0.000 (0) Sg 2.491e+00 H2Sg 1.952e+00 1.952e+00 0.290 0.290 0.000 30.82 (H2Sg)2 2.694e-01 2.694e-01 -0.570 -0.570 0.000 55.40 @@ -9775,10 +9768,10 @@ Sg 2.491e+00 Phase SI** log IAP log K(303 K, 691 atm) - H2(g) -10.86 31.11 41.97 H2 + H2(g) -11.26 -11.26 0.00 H2 H2O(g) -1.18 -0.02 1.17 H2O Pressure 6.0 atm, phi 0.011 H2Sg(g) 1.71 -6.47 -8.18 H2Sg Pressure 684.8 atm, phi 0.075 - O2(g) -59.31 -62.25 -2.94 O2 + O2(g) -58.54 -61.47 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9812,7 +9805,7 @@ H2Sg(g) 2.83 6.787e+02 0.125 0.000e+00 6.259e+00 6.259e+00 ----------------------------Description of solution---------------------------- pH = 3.111 Charge balance - pe = 2.439 Adjusted to redox equilibrium + pe = 2.418 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 93 Density (g/cm³) = 1.02109 Volume (L) = 1.07428 @@ -9822,14 +9815,14 @@ H2Sg(g) 2.83 6.787e+02 0.125 0.000e+00 6.259e+00 6.259e+00 Total alkalinity (eq/kg) = 2.747e+00 Temperature (°C) = 60.00 Pressure (atm) = 690.80 - Electrical balance (eq) = 1.202e-14 + Electrical balance (eq) = 2.251e-20 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 65 - Gamma iterations = 8 + Iterations = 110 + Gamma iterations = 7 Osmotic coefficient = 0.99999 Density of water = 1.01145 - Total H = 1.162796e+02 - Total O = 5.539873e+01 + Total H = 1.162771e+02 + Total O = 5.539750e+01 ----------------------------Distribution of species---------------------------- @@ -9839,10 +9832,10 @@ H2Sg(g) 2.83 6.787e+02 0.125 0.000e+00 6.259e+00 6.259e+00 H+ 7.998e-04 7.739e-04 -3.097 -3.111 -0.014 0.00 OH- 2.140e-10 2.070e-10 -9.670 -9.684 -0.014 (0) H2O 5.551e+01 9.600e-01 1.744 -0.018 0.000 17.81 -H(0) 1.106e-14 - H2 5.531e-15 5.531e-15 -14.257 -14.257 0.000 (0) +H(0) 1.219e-14 + H2 6.094e-15 6.094e-15 -14.215 -14.215 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.127 -53.127 0.000 (0) + O2 0.000e+00 0.000e+00 -53.221 -53.221 0.000 (0) Sg 2.747e+00 H2Sg 1.785e+00 1.785e+00 0.252 0.252 0.000 34.60 (H2Sg)2 4.802e-01 4.802e-01 -0.319 -0.319 0.000 54.10 @@ -9852,10 +9845,10 @@ Sg 2.747e+00 Phase SI** log IAP log K(333 K, 691 atm) - H2(g) -11.10 26.55 37.65 H2 + H2(g) -11.06 -11.06 0.00 H2 H2O(g) -0.53 -0.02 0.51 H2O Pressure 12.1 atm, phi 0.024 H2Sg(g) 1.93 -6.22 -8.15 H2Sg Pressure 678.7 atm, phi 0.125 - O2(g) -50.00 -53.13 -3.12 O2 + O2(g) -50.10 -53.22 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9889,7 +9882,7 @@ H2Sg(g) 2.83 6.689e+02 0.187 0.000e+00 5.470e+00 5.470e+00 ----------------------------Description of solution---------------------------- pH = 3.041 Charge balance - pe = 2.339 Adjusted to redox equilibrium + pe = 2.344 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 159 Density (g/cm³) = 1.00847 Volume (L) = 1.11475 @@ -9899,14 +9892,14 @@ H2Sg(g) 2.83 6.689e+02 0.187 0.000e+00 5.470e+00 5.470e+00 Total alkalinity (eq/kg) = 3.541e+00 Temperature (°C) = 90.00 Pressure (atm) = 690.80 - Electrical balance (eq) = 7.338e-18 + Electrical balance (eq) = 9.025e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 47 + Iterations = 62 Gamma iterations = 6 Osmotic coefficient = 0.99999 Density of water = 0.99465 - Total H = 1.177219e+02 - Total O = 5.533087e+01 + Total H = 1.177194e+02 + Total O = 5.532964e+01 ----------------------------Distribution of species---------------------------- @@ -9914,12 +9907,12 @@ H2Sg(g) 2.83 6.689e+02 0.187 0.000e+00 5.470e+00 5.470e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.445e-04 9.093e-04 -3.025 -3.041 -0.016 0.00 - OH- 9.306e-10 8.960e-10 -9.031 -9.048 -0.016 (0) + OH- 9.307e-10 8.960e-10 -9.031 -9.048 -0.016 (0) H2O 5.551e+01 9.522e-01 1.744 -0.021 0.000 18.11 -H(0) 2.134e-14 - H2 1.067e-14 1.067e-14 -13.972 -13.972 0.000 (0) +H(0) 2.080e-14 + H2 1.040e-14 1.040e-14 -13.983 -13.983 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.593 -46.593 0.000 (0) + O2 0.000e+00 0.000e+00 -46.580 -46.580 0.000 (0) Sg 3.541e+00 H2Sg 1.893e+00 1.893e+00 0.277 0.277 -0.000 36.97 (H2Sg)2 8.239e-01 8.239e-01 -0.084 -0.084 0.000 52.18 @@ -9929,10 +9922,10 @@ Sg 3.541e+00 Phase SI** log IAP log K(363 K, 691 atm) - H2(g) -10.76 23.27 34.04 H2 + H2(g) -10.77 -10.77 0.00 H2 H2O(g) -0.00 -0.02 -0.02 H2O Pressure 21.9 atm, phi 0.045 H2Sg(g) 2.10 -6.08 -8.18 H2Sg Pressure 668.9 atm, phi 0.187 - O2(g) -43.31 -46.59 -3.28 O2 + O2(g) -43.30 -46.58 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -9966,7 +9959,7 @@ H2Sg(g) 2.82 6.542e+02 0.259 0.000e+00 4.143e+00 4.143e+00 ----------------------------Description of solution---------------------------- pH = 3.016 Charge balance - pe = 2.488 Adjusted to redox equilibrium + pe = 10.316 Adjusted to redox equilibrium Specific Conductance (µS/cm, 120°C) = 226 Density (g/cm³) = 0.99902 Volume (L) = 1.17229 @@ -9976,14 +9969,14 @@ H2Sg(g) 2.82 6.542e+02 0.259 0.000e+00 4.143e+00 4.143e+00 Total alkalinity (eq/kg) = 4.878e+00 Temperature (°C) = 120.00 Pressure (atm) = 690.80 - Electrical balance (eq) = -1.020e-18 + Electrical balance (eq) = -2.340e-19 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 44 - Gamma iterations = 6 + Iterations = 49 + Gamma iterations = 4 Osmotic coefficient = 0.99999 Density of water = 0.97479 - Total H = 1.202701e+02 - Total O = 5.527782e+01 + Total H = 1.202676e+02 + Total O = 5.527658e+01 ----------------------------Distribution of species---------------------------- @@ -9993,23 +9986,23 @@ H2Sg(g) 2.82 6.542e+02 0.259 0.000e+00 4.143e+00 4.143e+00 H+ 1.005e-03 9.640e-04 -2.998 -3.016 -0.018 0.00 OH- 3.475e-09 3.332e-09 -8.459 -8.477 -0.018 (0) H2O 5.551e+01 9.384e-01 1.744 -0.028 0.000 18.48 -H(0) 1.083e-14 - H2 5.417e-15 5.417e-15 -14.266 -14.266 0.000 (0) -O(0) 2.054e-40 - O2 1.027e-40 1.027e-40 -39.988 -39.988 0.000 (0) +H(0) 2.395e-30 + H2 1.197e-30 1.197e-30 -29.922 -29.922 0.000 (0) +O(0) 4.107e-09 + O2 2.053e-09 2.053e-09 -8.688 -8.688 0.000 (0) Sg 4.878e+00 H2Sg 2.182e+00 2.182e+00 0.339 0.339 0.000 38.82 - (H2Sg)2 1.347e+00 1.347e+00 0.130 0.130 0.000 49.44 + (H2Sg)2 1.347e+00 1.347e+00 0.130 0.130 -0.000 49.44 HSg- 1.005e-03 9.640e-04 -2.998 -3.016 -0.018 19.42 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(393 K, 691 atm) - H2(g) -11.01 19.97 30.98 H2 + H2(g) -26.66 -26.66 0.00 H2 H2O(g) 0.43 -0.03 -0.46 H2O Pressure 36.6 atm, phi 0.073 H2Sg(g) 2.23 -6.03 -8.26 H2Sg Pressure 654.2 atm, phi 0.259 - O2(g) -36.57 -39.99 -3.41 O2 + O2(g) -5.27 -8.69 -3.41 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10043,7 +10036,7 @@ H2Sg(g) 2.80 6.335e+02 0.337 0.000e+00 2.188e+00 2.188e+00 ----------------------------Description of solution---------------------------- pH = 3.027 Charge balance - pe = 2.305 Adjusted to redox equilibrium + pe = 2.407 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 276 Density (g/cm³) = 0.99497 Volume (L) = 1.24859 @@ -10053,14 +10046,14 @@ H2Sg(g) 2.80 6.335e+02 0.337 0.000e+00 2.188e+00 2.188e+00 Total alkalinity (eq/kg) = 6.836e+00 Temperature (°C) = 150.00 Pressure (atm) = 690.80 - Electrical balance (eq) = 7.965e-15 + Electrical balance (eq) = 7.958e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 32 + Iterations = 36 Gamma iterations = 4 Osmotic coefficient = 0.99999 Density of water = 0.95204 - Total H = 1.242473e+02 - Total O = 5.531209e+01 + Total H = 1.242449e+02 + Total O = 5.531085e+01 ----------------------------Distribution of species---------------------------- @@ -10070,10 +10063,10 @@ H2Sg(g) 2.80 6.335e+02 0.337 0.000e+00 2.188e+00 2.188e+00 H+ 9.820e-04 9.390e-04 -3.008 -3.027 -0.019 0.00 OH- 1.152e-08 1.102e-08 -7.939 -7.958 -0.019 (0) H2O 5.551e+01 9.182e-01 1.744 -0.037 0.000 18.92 -H(0) 2.183e-14 - H2 1.092e-14 1.092e-14 -13.962 -13.962 0.000 (0) -O(0) 7.237e-36 - O2 3.619e-36 3.619e-36 -35.441 -35.441 0.000 (0) +H(0) 1.366e-14 + H2 6.830e-15 6.830e-15 -14.166 -14.166 0.000 (0) +O(0) 1.806e-35 + O2 9.030e-36 9.030e-36 -35.044 -35.044 0.000 (0) Sg 6.836e+00 H2Sg 2.640e+00 2.640e+00 0.422 0.422 0.000 40.56 (H2Sg)2 2.097e+00 2.097e+00 0.322 0.322 0.000 45.56 @@ -10083,10 +10076,10 @@ Sg 6.836e+00 Phase SI** log IAP log K(423 K, 691 atm) - H2(g) -10.66 17.68 28.35 H2 + H2(g) -10.87 -10.87 0.00 H2 H2O(g) 0.78 -0.04 -0.82 H2O Pressure 57.3 atm, phi 0.106 H2Sg(g) 2.33 -6.05 -8.38 H2Sg Pressure 633.5 atm, phi 0.337 - O2(g) -31.91 -35.44 -3.53 O2 + O2(g) -31.52 -35.04 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10143,7 +10136,7 @@ H2Sg(g) 2.87 7.339e+02 0.075 0.000e+00 6.477e+00 6.477e+00 ----------------------------Description of solution---------------------------- pH = 3.229 Charge balance - pe = 2.380 Adjusted to redox equilibrium + pe = 2.304 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 42 Density (g/cm³) = 1.03934 Volume (L) = 1.04882 @@ -10153,14 +10146,14 @@ H2Sg(g) 2.87 7.339e+02 0.075 0.000e+00 6.477e+00 6.477e+00 Total alkalinity (eq/kg) = 2.526e+00 Temperature (°C) = 30.00 Pressure (atm) = 740.20 - Electrical balance (eq) = 2.811e-16 + Electrical balance (eq) = 3.321e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 60 - Gamma iterations = 5 + Iterations = 81 + Gamma iterations = 10 Osmotic coefficient = 1.00000 Density of water = 1.02665 - Total H = 1.159545e+02 - Total O = 5.545389e+01 + Total H = 1.159520e+02 + Total O = 5.545265e+01 ----------------------------Distribution of species---------------------------- @@ -10170,10 +10163,10 @@ H2Sg(g) 2.87 7.339e+02 0.075 0.000e+00 6.477e+00 6.477e+00 H+ 6.060e-04 5.898e-04 -3.218 -3.229 -0.012 0.00 OH- 4.085e-11 3.975e-11 -10.389 -10.401 -0.012 (0) H2O 5.551e+01 9.601e-01 1.744 -0.018 0.000 17.55 -H(0) 9.786e-15 - H2 4.893e-15 4.893e-15 -14.310 -14.310 0.000 (0) +H(0) 1.388e-14 + H2 6.938e-15 6.938e-15 -14.159 -14.159 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -61.509 -61.509 0.000 (0) + O2 0.000e+00 0.000e+00 -61.822 -61.822 0.000 (0) Sg 2.526e+00 H2Sg 1.992e+00 1.992e+00 0.299 0.299 0.000 30.45 (H2Sg)2 2.665e-01 2.665e-01 -0.574 -0.574 0.000 56.83 @@ -10183,10 +10176,10 @@ Sg 2.526e+00 Phase SI** log IAP log K(303 K, 740 atm) - H2(g) -11.22 30.74 41.96 H2 + H2(g) -11.07 -11.07 0.00 H2 H2O(g) -1.17 -0.02 1.15 H2O Pressure 6.3 atm, phi 0.011 H2Sg(g) 1.74 -6.46 -8.20 H2Sg Pressure 733.9 atm, phi 0.075 - O2(g) -58.57 -61.51 -2.94 O2 + O2(g) -58.89 -61.82 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10220,7 +10213,7 @@ H2Sg(g) 2.86 7.274e+02 0.125 0.000e+00 6.230e+00 6.230e+00 ----------------------------Description of solution---------------------------- pH = 3.105 Charge balance - pe = 2.305 Adjusted to redox equilibrium + pe = 2.306 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 94 Density (g/cm³) = 1.02292 Volume (L) = 1.07341 @@ -10230,14 +10223,14 @@ H2Sg(g) 2.86 7.274e+02 0.125 0.000e+00 6.230e+00 6.230e+00 Total alkalinity (eq/kg) = 2.775e+00 Temperature (°C) = 60.00 Pressure (atm) = 740.20 - Electrical balance (eq) = 4.501e-16 + Electrical balance (eq) = 9.810e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 93 - Gamma iterations = 6 + Iterations = 101 + Gamma iterations = 8 Osmotic coefficient = 0.99999 Density of water = 1.01333 - Total H = 1.163404e+02 - Total O = 5.540033e+01 + Total H = 1.163380e+02 + Total O = 5.539910e+01 ----------------------------Distribution of species---------------------------- @@ -10247,10 +10240,10 @@ H2Sg(g) 2.86 7.274e+02 0.125 0.000e+00 6.230e+00 6.230e+00 H+ 8.117e-04 7.853e-04 -3.091 -3.105 -0.014 0.00 OH- 2.175e-10 2.104e-10 -9.663 -9.677 -0.014 (0) H2O 5.551e+01 9.595e-01 1.744 -0.018 0.000 17.78 -H(0) 2.112e-14 - H2 1.056e-14 1.056e-14 -13.976 -13.976 0.000 (0) +H(0) 2.101e-14 + H2 1.050e-14 1.050e-14 -13.979 -13.979 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.662 -53.662 0.000 (0) + O2 0.000e+00 0.000e+00 -53.667 -53.667 0.000 (0) Sg 2.775e+00 H2Sg 1.816e+00 1.816e+00 0.259 0.259 0.000 34.17 (H2Sg)2 4.795e-01 4.795e-01 -0.319 -0.319 0.000 55.55 @@ -10260,10 +10253,10 @@ Sg 2.775e+00 Phase SI** log IAP log K(333 K, 740 atm) - H2(g) -10.82 26.81 37.63 H2 + H2(g) -10.82 -10.82 0.00 H2 H2O(g) -0.52 -0.02 0.50 H2O Pressure 12.8 atm, phi 0.024 H2Sg(g) 1.96 -6.21 -8.17 H2Sg Pressure 727.4 atm, phi 0.125 - O2(g) -50.54 -53.66 -3.12 O2 + O2(g) -50.54 -53.67 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10297,7 +10290,7 @@ H2Sg(g) 2.86 7.170e+02 0.187 0.000e+00 5.425e+00 5.425e+00 ----------------------------Description of solution---------------------------- pH = 3.035 Charge balance - pe = 2.425 Adjusted to redox equilibrium + pe = 2.469 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 161 Density (g/cm³) = 1.01000 Volume (L) = 1.11472 @@ -10307,14 +10300,14 @@ H2Sg(g) 2.86 7.170e+02 0.187 0.000e+00 5.425e+00 5.425e+00 Total alkalinity (eq/kg) = 3.586e+00 Temperature (°C) = 90.00 Pressure (atm) = 740.20 - Electrical balance (eq) = -1.995e-17 + Electrical balance (eq) = -1.305e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 48 - Gamma iterations = 5 + Iterations = 63 + Gamma iterations = 8 Osmotic coefficient = 0.99999 Density of water = 0.99658 - Total H = 1.178174e+02 - Total O = 5.533418e+01 + Total H = 1.178149e+02 + Total O = 5.533295e+01 ----------------------------Distribution of species---------------------------- @@ -10324,10 +10317,10 @@ H2Sg(g) 2.86 7.170e+02 0.187 0.000e+00 5.425e+00 5.425e+00 H+ 9.595e-04 9.236e-04 -3.018 -3.035 -0.017 0.00 OH- 9.429e-10 9.076e-10 -9.026 -9.042 -0.017 (0) H2O 5.551e+01 9.516e-01 1.744 -0.022 0.000 18.08 -H(0) 1.482e-14 - H2 7.409e-15 7.409e-15 -14.130 -14.130 0.000 (0) +H(0) 1.208e-14 + H2 6.038e-15 6.038e-15 -14.219 -14.219 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.251 -46.251 0.000 (0) + O2 0.000e+00 0.000e+00 -46.083 -46.083 0.000 (0) Sg 3.586e+00 H2Sg 1.924e+00 1.924e+00 0.284 0.284 0.000 36.50 (H2Sg)2 8.307e-01 8.307e-01 -0.081 -0.081 0.000 53.67 @@ -10337,10 +10330,10 @@ Sg 3.586e+00 Phase SI** log IAP log K(363 K, 740 atm) - H2(g) -10.92 23.10 34.02 H2 + H2(g) -11.01 -11.01 0.00 H2 H2O(g) 0.01 -0.02 -0.03 H2O Pressure 23.2 atm, phi 0.044 H2Sg(g) 2.13 -6.07 -8.20 H2Sg Pressure 717.0 atm, phi 0.187 - O2(g) -42.97 -46.25 -3.28 O2 + O2(g) -42.80 -46.08 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10374,7 +10367,7 @@ H2Sg(g) 2.85 7.014e+02 0.258 0.000e+00 4.055e+00 4.055e+00 ----------------------------Description of solution---------------------------- pH = 3.009 Charge balance - pe = 2.349 Adjusted to redox equilibrium + pe = 2.196 Adjusted to redox equilibrium Specific Conductance (µS/cm, 120°C) = 228 Density (g/cm³) = 1.00036 Volume (L) = 1.17403 @@ -10384,14 +10377,14 @@ H2Sg(g) 2.85 7.014e+02 0.258 0.000e+00 4.055e+00 4.055e+00 Total alkalinity (eq/kg) = 4.965e+00 Temperature (°C) = 120.00 Pressure (atm) = 740.20 - Electrical balance (eq) = 1.236e-17 + Electrical balance (eq) = 8.850e-19 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 76 + Iterations = 42 Gamma iterations = 4 Osmotic coefficient = 0.99999 Density of water = 0.97683 - Total H = 1.204607e+02 - Total O = 5.528543e+01 + Total H = 1.204583e+02 + Total O = 5.528420e+01 ----------------------------Distribution of species---------------------------- @@ -10401,23 +10394,23 @@ H2Sg(g) 2.85 7.014e+02 0.258 0.000e+00 4.055e+00 4.055e+00 H+ 1.023e-03 9.805e-04 -2.990 -3.009 -0.018 0.00 OH- 3.508e-09 3.363e-09 -8.455 -8.473 -0.018 (0) H2O 5.551e+01 9.373e-01 1.744 -0.028 0.000 18.44 -H(0) 2.127e-14 - H2 1.064e-14 1.064e-14 -13.973 -13.973 0.000 (0) +H(0) 4.316e-14 + H2 2.158e-14 2.158e-14 -13.666 -13.666 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -40.552 -40.552 0.000 (0) + O2 0.000e+00 0.000e+00 -41.176 -41.176 0.000 (0) Sg 4.965e+00 H2Sg 2.219e+00 2.219e+00 0.346 0.346 0.000 38.32 - (H2Sg)2 1.372e+00 1.372e+00 0.137 0.137 -0.000 51.01 + (H2Sg)2 1.372e+00 1.372e+00 0.137 0.137 0.000 51.01 HSg- 1.023e-03 9.805e-04 -2.990 -3.009 -0.018 19.47 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(393 K, 740 atm) - H2(g) -10.72 20.25 30.96 H2 + H2(g) -10.41 -10.41 0.00 H2 H2O(g) 0.44 -0.03 -0.47 H2O Pressure 38.8 atm, phi 0.071 H2Sg(g) 2.26 -6.02 -8.27 H2Sg Pressure 701.4 atm, phi 0.258 - O2(g) -37.14 -40.55 -3.41 O2 + O2(g) -37.76 -41.18 -3.41 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10451,7 +10444,7 @@ H2Sg(g) 2.83 6.797e+02 0.336 0.000e+00 2.012e+00 2.012e+00 ----------------------------Description of solution---------------------------- pH = 3.019 Charge balance - pe = 2.488 Adjusted to redox equilibrium + pe = 2.470 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 279 Density (g/cm³) = 0.99635 Volume (L) = 1.25360 @@ -10461,14 +10454,14 @@ H2Sg(g) 2.83 6.797e+02 0.336 0.000e+00 2.012e+00 2.012e+00 Total alkalinity (eq/kg) = 7.011e+00 Temperature (°C) = 150.00 Pressure (atm) = 740.20 - Electrical balance (eq) = 7.576e-19 + Electrical balance (eq) = 6.824e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 53 - Gamma iterations = 6 + Iterations = 38 + Gamma iterations = 4 Osmotic coefficient = 0.99999 Density of water = 0.95427 - Total H = 1.246381e+02 - Total O = 5.533072e+01 + Total H = 1.246357e+02 + Total O = 5.532949e+01 ----------------------------Distribution of species---------------------------- @@ -10478,10 +10471,10 @@ H2Sg(g) 2.83 6.797e+02 0.336 0.000e+00 2.012e+00 2.012e+00 H+ 1.001e-03 9.569e-04 -3.000 -3.019 -0.020 0.00 OH- 1.158e-08 1.107e-08 -7.936 -7.956 -0.020 (0) H2O 5.551e+01 9.163e-01 1.744 -0.038 0.000 18.88 -H(0) 9.758e-15 - H2 4.879e-15 4.879e-15 -14.312 -14.312 0.000 (0) -O(0) 3.800e-35 - O2 1.900e-35 1.900e-35 -34.721 -34.721 0.000 (0) +H(0) 1.058e-14 + H2 5.292e-15 5.292e-15 -14.276 -14.276 0.000 (0) +O(0) 3.156e-35 + O2 1.578e-35 1.578e-35 -34.802 -34.802 0.000 (0) Sg 7.011e+00 H2Sg 2.690e+00 2.690e+00 0.430 0.430 0.000 40.03 (H2Sg)2 2.160e+00 2.160e+00 0.334 0.334 0.000 47.24 @@ -10491,10 +10484,10 @@ Sg 7.011e+00 Phase SI** log IAP log K(423 K, 740 atm) - H2(g) -11.01 17.32 28.34 H2 + H2(g) -10.98 -10.98 0.00 H2 H2O(g) 0.80 -0.04 -0.83 H2O Pressure 60.5 atm, phi 0.103 H2Sg(g) 2.36 -6.04 -8.40 H2Sg Pressure 679.7 atm, phi 0.336 - O2(g) -31.19 -34.72 -3.53 O2 + O2(g) -31.27 -34.80 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10551,7 +10544,7 @@ H2Sg(g) 2.89 7.828e+02 0.075 0.000e+00 6.443e+00 6.443e+00 ----------------------------Description of solution---------------------------- pH = 3.223 Charge balance - pe = 2.227 Adjusted to redox equilibrium + pe = 2.334 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 43 Density (g/cm³) = 1.04163 Volume (L) = 1.04771 @@ -10561,14 +10554,14 @@ H2Sg(g) 2.89 7.828e+02 0.075 0.000e+00 6.443e+00 6.443e+00 Total alkalinity (eq/kg) = 2.560e+00 Temperature (°C) = 30.00 Pressure (atm) = 789.50 - Electrical balance (eq) = 3.119e-16 + Electrical balance (eq) = 3.314e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 35 - Gamma iterations = 5 + Iterations = 66 + Gamma iterations = 10 Osmotic coefficient = 1.00000 Density of water = 1.02856 - Total H = 1.160244e+02 - Total O = 5.545474e+01 + Total H = 1.160219e+02 + Total O = 5.545351e+01 ----------------------------Distribution of species---------------------------- @@ -10578,12 +10571,12 @@ H2Sg(g) 2.89 7.828e+02 0.075 0.000e+00 6.443e+00 6.443e+00 H+ 6.147e-04 5.981e-04 -3.211 -3.223 -0.012 0.00 OH- 4.164e-11 4.052e-11 -10.381 -10.392 -0.012 (0) H2O 5.551e+01 9.594e-01 1.744 -0.018 0.000 17.52 -H(0) 2.031e-14 - H2 1.016e-14 1.016e-14 -13.993 -13.993 0.000 (0) +H(0) 1.242e-14 + H2 6.210e-15 6.210e-15 -14.207 -14.207 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.115 -62.115 0.000 (0) + O2 0.000e+00 0.000e+00 -61.697 -61.697 0.000 (0) Sg 2.560e+00 - H2Sg 2.035e+00 2.035e+00 0.309 0.309 -0.000 30.10 + H2Sg 2.035e+00 2.035e+00 0.309 0.309 0.000 30.10 (H2Sg)2 2.622e-01 2.622e-01 -0.581 -0.581 0.000 58.21 HSg- 6.147e-04 5.981e-04 -3.211 -3.223 -0.012 21.05 @@ -10591,10 +10584,10 @@ Sg 2.560e+00 Phase SI** log IAP log K(303 K, 790 atm) - H2(g) -10.90 31.04 41.94 H2 + H2(g) -11.11 -11.11 0.00 H2 H2O(g) -1.15 -0.02 1.14 H2O Pressure 6.7 atm, phi 0.010 H2Sg(g) 1.77 -6.45 -8.22 H2Sg Pressure 782.8 atm, phi 0.075 - O2(g) -59.18 -62.11 -2.94 O2 + O2(g) -58.76 -61.70 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10628,7 +10621,7 @@ H2Sg(g) 2.89 7.760e+02 0.125 0.000e+00 6.204e+00 6.204e+00 ----------------------------Description of solution---------------------------- pH = 3.099 Charge balance - pe = 2.436 Adjusted to redox equilibrium + pe = 2.481 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 95 Density (g/cm³) = 1.02472 Volume (L) = 1.07245 @@ -10638,14 +10631,14 @@ H2Sg(g) 2.89 7.760e+02 0.125 0.000e+00 6.204e+00 6.204e+00 Total alkalinity (eq/kg) = 2.801e+00 Temperature (°C) = 60.00 Pressure (atm) = 789.50 - Electrical balance (eq) = -6.811e-19 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 36 + Electrical balance (eq) = 6.946e-16 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 56 Gamma iterations = 5 Osmotic coefficient = 0.99999 Density of water = 1.01519 - Total H = 1.163948e+02 - Total O = 5.540188e+01 + Total H = 1.163923e+02 + Total O = 5.540065e+01 ----------------------------Distribution of species---------------------------- @@ -10655,10 +10648,10 @@ H2Sg(g) 2.89 7.760e+02 0.125 0.000e+00 6.204e+00 6.204e+00 H+ 8.235e-04 7.966e-04 -3.084 -3.099 -0.014 0.00 OH- 2.211e-10 2.139e-10 -9.655 -9.670 -0.014 (0) H2O 5.551e+01 9.590e-01 1.744 -0.018 0.000 17.75 -H(0) 1.185e-14 - H2 5.923e-15 5.923e-15 -14.227 -14.227 0.000 (0) +H(0) 9.643e-15 + H2 4.821e-15 4.821e-15 -14.317 -14.317 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.133 -53.133 0.000 (0) + O2 0.000e+00 0.000e+00 -52.964 -52.964 0.000 (0) Sg 2.801e+00 H2Sg 1.847e+00 1.847e+00 0.267 0.267 0.000 33.76 (H2Sg)2 4.764e-01 4.764e-01 -0.322 -0.322 0.000 56.95 @@ -10668,10 +10661,10 @@ Sg 2.801e+00 Phase SI** log IAP log K(333 K, 790 atm) - H2(g) -11.07 26.55 37.62 H2 + H2(g) -11.16 -11.16 0.00 H2 H2O(g) -0.50 -0.02 0.49 H2O Pressure 13.5 atm, phi 0.023 H2Sg(g) 1.99 -6.20 -8.18 H2Sg Pressure 776.0 atm, phi 0.125 - O2(g) -50.01 -53.13 -3.12 O2 + O2(g) -49.84 -52.96 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10705,7 +10698,7 @@ H2Sg(g) 2.88 7.650e+02 0.187 0.000e+00 5.388e+00 5.388e+00 ----------------------------Description of solution---------------------------- pH = 3.028 Charge balance - pe = 2.354 Adjusted to redox equilibrium + pe = 2.210 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 163 Density (g/cm³) = 1.01145 Volume (L) = 1.11451 @@ -10715,14 +10708,14 @@ H2Sg(g) 2.88 7.650e+02 0.187 0.000e+00 5.388e+00 5.388e+00 Total alkalinity (eq/kg) = 3.623e+00 Temperature (°C) = 90.00 Pressure (atm) = 789.50 - Electrical balance (eq) = 9.143e-14 + Electrical balance (eq) = 3.157e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 74 + Iterations = 65 Gamma iterations = 7 Osmotic coefficient = 0.99999 Density of water = 0.99848 - Total H = 1.178983e+02 - Total O = 5.533727e+01 + Total H = 1.178959e+02 + Total O = 5.533604e+01 ----------------------------Distribution of species---------------------------- @@ -10730,14 +10723,14 @@ H2Sg(g) 2.88 7.650e+02 0.187 0.000e+00 5.388e+00 5.388e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 9.744e-04 9.378e-04 -3.011 -3.028 -0.017 0.00 - OH- 9.555e-10 9.196e-10 -9.020 -9.036 -0.017 (0) + OH- 9.556e-10 9.197e-10 -9.020 -9.036 -0.017 (0) H2O 5.551e+01 9.510e-01 1.744 -0.022 0.000 18.04 -H(0) 2.121e-14 - H2 1.061e-14 1.061e-14 -13.974 -13.974 0.000 (0) +H(0) 4.106e-14 + H2 2.053e-14 2.053e-14 -13.688 -13.688 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.538 -46.538 0.000 (0) + O2 0.000e+00 0.000e+00 -47.122 -47.122 0.000 (0) Sg 3.623e+00 - H2Sg 1.956e+00 1.956e+00 0.291 0.291 -0.000 36.05 + H2Sg 1.956e+00 1.956e+00 0.291 0.291 0.000 36.05 (H2Sg)2 8.332e-01 8.332e-01 -0.079 -0.079 0.000 55.12 HSg- 9.744e-04 9.378e-04 -3.011 -3.028 -0.017 20.65 @@ -10745,10 +10738,10 @@ Sg 3.623e+00 Phase SI** log IAP log K(363 K, 790 atm) - H2(g) -10.76 23.25 34.01 H2 + H2(g) -10.48 -10.48 0.00 H2 H2O(g) 0.02 -0.02 -0.04 H2O Pressure 24.5 atm, phi 0.043 H2Sg(g) 2.15 -6.06 -8.21 H2Sg Pressure 765.0 atm, phi 0.187 - O2(g) -43.26 -46.54 -3.28 O2 + O2(g) -43.84 -47.12 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10782,7 +10775,7 @@ H2Sg(g) 2.87 7.486e+02 0.258 0.000e+00 3.980e+00 3.980e+00 ----------------------------Description of solution---------------------------- pH = 3.001 Charge balance - pe = 2.532 Adjusted to redox equilibrium + pe = 2.494 Adjusted to redox equilibrium Specific Conductance (µS/cm, 120°C) = 231 Density (g/cm³) = 1.00153 Volume (L) = 1.17547 @@ -10792,14 +10785,14 @@ H2Sg(g) 2.87 7.486e+02 0.258 0.000e+00 3.980e+00 3.980e+00 Total alkalinity (eq/kg) = 5.039e+00 Temperature (°C) = 120.00 Pressure (atm) = 789.50 - Electrical balance (eq) = 2.404e-14 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 56 - Gamma iterations = 7 + Electrical balance (eq) = -1.031e-18 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 53 + Gamma iterations = 6 Osmotic coefficient = 0.99999 Density of water = 0.97884 - Total H = 1.206240e+02 - Total O = 5.529227e+01 + Total H = 1.206215e+02 + Total O = 5.529103e+01 ----------------------------Distribution of species---------------------------- @@ -10809,10 +10802,10 @@ H2Sg(g) 2.87 7.486e+02 0.258 0.000e+00 3.980e+00 3.980e+00 H+ 1.040e-03 9.969e-04 -2.983 -3.001 -0.018 0.00 OH- 3.543e-09 3.396e-09 -8.451 -8.469 -0.018 (0) H2O 5.551e+01 9.364e-01 1.744 -0.029 0.000 18.41 -H(0) 9.470e-15 - H2 4.735e-15 4.735e-15 -14.325 -14.325 0.000 (0) -O(0) 2.986e-40 - O2 1.493e-40 1.493e-40 -39.826 -39.826 0.000 (0) +H(0) 1.128e-14 + H2 5.641e-15 5.641e-15 -14.249 -14.249 0.000 (0) +O(0) 2.055e-40 + O2 1.028e-40 1.028e-40 -39.988 -39.988 0.000 (0) Sg 5.039e+00 H2Sg 2.258e+00 2.258e+00 0.354 0.354 0.000 37.84 (H2Sg)2 1.390e+00 1.390e+00 0.143 0.143 0.000 52.52 @@ -10822,10 +10815,10 @@ Sg 5.039e+00 Phase SI** log IAP log K(393 K, 790 atm) - H2(g) -11.07 19.88 30.95 H2 + H2(g) -10.99 -10.99 0.00 H2 H2O(g) 0.45 -0.03 -0.48 H2O Pressure 40.9 atm, phi 0.069 H2Sg(g) 2.29 -6.00 -8.29 H2Sg Pressure 748.6 atm, phi 0.258 - O2(g) -36.41 -39.83 -3.41 O2 + O2(g) -36.57 -39.99 -3.41 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10859,7 +10852,7 @@ H2Sg(g) 2.86 7.258e+02 0.335 0.000e+00 1.856e+00 1.856e+00 ----------------------------Description of solution---------------------------- pH = 3.011 Charge balance - pe = 2.181 Adjusted to redox equilibrium + pe = 2.331 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 283 Density (g/cm³) = 0.99740 Volume (L) = 1.25819 @@ -10869,14 +10862,14 @@ H2Sg(g) 2.86 7.258e+02 0.335 0.000e+00 1.856e+00 1.856e+00 Total alkalinity (eq/kg) = 7.165e+00 Temperature (°C) = 150.00 Pressure (atm) = 789.50 - Electrical balance (eq) = 7.516e-19 + Electrical balance (eq) = 5.890e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 64 - Gamma iterations = 7 + Iterations = 36 + Gamma iterations = 4 Osmotic coefficient = 0.99999 Density of water = 0.95646 - Total H = 1.249816e+02 - Total O = 5.534703e+01 + Total H = 1.249791e+02 + Total O = 5.534579e+01 ----------------------------Distribution of species---------------------------- @@ -10886,10 +10879,10 @@ H2Sg(g) 2.86 7.258e+02 0.335 0.000e+00 1.856e+00 1.856e+00 H+ 1.020e-03 9.745e-04 -2.992 -3.011 -0.020 0.00 OH- 1.165e-08 1.114e-08 -7.934 -7.953 -0.020 (0) H2O 5.551e+01 9.146e-01 1.744 -0.039 0.000 18.84 -H(0) 4.158e-14 - H2 2.079e-14 2.079e-14 -13.682 -13.682 0.000 (0) -O(0) 2.196e-36 - O2 1.098e-36 1.098e-36 -35.959 -35.959 0.000 (0) +H(0) 2.086e-14 + H2 1.043e-14 1.043e-14 -13.982 -13.982 0.000 (0) +O(0) 8.524e-36 + O2 4.262e-36 4.262e-36 -35.370 -35.370 0.000 (0) Sg 7.165e+00 H2Sg 2.741e+00 2.741e+00 0.438 0.438 0.000 39.50 (H2Sg)2 2.211e+00 2.211e+00 0.345 0.345 -0.000 48.87 @@ -10899,10 +10892,10 @@ Sg 7.165e+00 Phase SI** log IAP log K(423 K, 790 atm) - H2(g) -10.38 17.94 28.33 H2 + H2(g) -10.68 -10.68 0.00 H2 H2O(g) 0.81 -0.04 -0.84 H2O Pressure 63.7 atm, phi 0.100 H2Sg(g) 2.39 -6.02 -8.41 H2Sg Pressure 725.8 atm, phi 0.335 - O2(g) -32.43 -35.96 -3.53 O2 + O2(g) -31.84 -35.37 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -10959,7 +10952,7 @@ H2Sg(g) 2.94 8.808e+02 0.077 0.000e+00 6.374e+00 6.374e+00 ----------------------------Description of solution---------------------------- pH = 3.211 Charge balance - pe = 1.992 Adjusted to redox equilibrium + pe = 2.309 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 44 Density (g/cm³) = 1.04626 Volume (L) = 1.04546 @@ -10969,14 +10962,14 @@ H2Sg(g) 2.94 8.808e+02 0.077 0.000e+00 6.374e+00 6.374e+00 Total alkalinity (eq/kg) = 2.628e+00 Temperature (°C) = 30.00 Pressure (atm) = 888.20 - Electrical balance (eq) = 3.072e-16 + Electrical balance (eq) = 7.604e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 53 - Gamma iterations = 5 + Iterations = 107 + Gamma iterations = 7 Osmotic coefficient = 1.00000 Density of water = 1.03236 - Total H = 1.161646e+02 - Total O = 5.545647e+01 + Total H = 1.161621e+02 + Total O = 5.545524e+01 ----------------------------Distribution of species---------------------------- @@ -10986,12 +10979,12 @@ H2Sg(g) 2.94 8.808e+02 0.077 0.000e+00 6.374e+00 6.374e+00 H+ 6.319e-04 6.147e-04 -3.199 -3.211 -0.012 0.00 OH- 4.328e-11 4.210e-11 -10.364 -10.376 -0.012 (0) H2O 5.551e+01 9.581e-01 1.744 -0.019 0.000 17.45 -H(0) 6.344e-14 - H2 3.172e-14 3.172e-14 -13.499 -13.499 0.000 (0) +H(0) 1.474e-14 + H2 7.369e-15 7.369e-15 -14.133 -14.133 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -63.047 -63.047 0.000 (0) + O2 0.000e+00 0.000e+00 -61.789 -61.789 0.000 (0) Sg 2.628e+00 - H2Sg 2.127e+00 2.127e+00 0.328 0.328 -0.000 29.41 + H2Sg 2.127e+00 2.127e+00 0.328 0.328 0.000 29.41 (H2Sg)2 2.502e-01 2.502e-01 -0.602 -0.602 0.000 60.86 HSg- 6.319e-04 6.147e-04 -3.199 -3.211 -0.012 21.08 @@ -10999,10 +10992,10 @@ Sg 2.628e+00 Phase SI** log IAP log K(303 K, 888 atm) - H2(g) -10.41 31.50 41.91 H2 + H2(g) -11.04 -11.04 0.00 H2 H2O(g) -1.13 -0.02 1.11 H2O Pressure 7.4 atm, phi 0.010 H2Sg(g) 1.83 -6.42 -8.25 H2Sg Pressure 880.8 atm, phi 0.077 - O2(g) -60.11 -63.05 -2.94 O2 + O2(g) -58.85 -61.79 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11036,7 +11029,7 @@ H2Sg(g) 2.94 8.733e+02 0.127 0.000e+00 6.161e+00 6.161e+00 ----------------------------Description of solution---------------------------- pH = 3.087 Charge balance - pe = 2.319 Adjusted to redox equilibrium + pe = 2.519 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 97 Density (g/cm³) = 1.02830 Volume (L) = 1.07030 @@ -11046,14 +11039,14 @@ H2Sg(g) 2.94 8.733e+02 0.127 0.000e+00 6.161e+00 6.161e+00 Total alkalinity (eq/kg) = 2.844e+00 Temperature (°C) = 60.00 Pressure (atm) = 888.20 - Electrical balance (eq) = -2.720e-19 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 106 - Gamma iterations = 10 + Electrical balance (eq) = 2.743e-14 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 68 + Gamma iterations = 11 Osmotic coefficient = 0.99999 Density of water = 1.01887 - Total H = 1.164877e+02 - Total O = 5.540489e+01 + Total H = 1.164853e+02 + Total O = 5.540365e+01 ----------------------------Distribution of species---------------------------- @@ -11061,12 +11054,12 @@ H2Sg(g) 2.94 8.733e+02 0.127 0.000e+00 6.161e+00 6.161e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 8.470e-04 8.192e-04 -3.072 -3.087 -0.015 0.00 - OH- 2.286e-10 2.210e-10 -9.641 -9.656 -0.015 (0) + OH- 2.286e-10 2.211e-10 -9.641 -9.655 -0.015 (0) H2O 5.551e+01 9.580e-01 1.744 -0.019 0.000 17.68 -H(0) 2.152e-14 - H2 1.076e-14 1.076e-14 -13.968 -13.968 0.000 (0) +H(0) 8.543e-15 + H2 4.272e-15 4.272e-15 -14.369 -14.369 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.599 -53.599 0.000 (0) + O2 0.000e+00 0.000e+00 -52.806 -52.806 0.000 (0) Sg 2.844e+00 H2Sg 1.917e+00 1.917e+00 0.283 0.283 0.000 32.96 (H2Sg)2 4.635e-01 4.635e-01 -0.334 -0.334 0.000 59.65 @@ -11076,10 +11069,10 @@ Sg 2.844e+00 Phase SI** log IAP log K(333 K, 888 atm) - H2(g) -10.81 26.78 37.59 H2 + H2(g) -11.21 -11.21 0.00 H2 H2O(g) -0.48 -0.02 0.46 H2O Pressure 14.9 atm, phi 0.022 H2Sg(g) 2.04 -6.17 -8.22 H2Sg Pressure 873.3 atm, phi 0.127 - O2(g) -50.48 -53.60 -3.12 O2 + O2(g) -49.68 -52.81 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11113,7 +11106,7 @@ H2Sg(g) 2.94 8.612e+02 0.188 0.000e+00 5.332e+00 5.332e+00 ----------------------------Description of solution---------------------------- pH = 3.015 Charge balance - pe = 2.504 Adjusted to redox equilibrium + pe = 2.502 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 167 Density (g/cm³) = 1.01421 Volume (L) = 1.11355 @@ -11123,14 +11116,14 @@ H2Sg(g) 2.94 8.612e+02 0.188 0.000e+00 5.332e+00 5.332e+00 Total alkalinity (eq/kg) = 3.679e+00 Temperature (°C) = 90.00 Pressure (atm) = 888.20 - Electrical balance (eq) = 5.614e-14 + Electrical balance (eq) = 2.843e-14 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 58 - Gamma iterations = 8 + Iterations = 52 + Gamma iterations = 6 Osmotic coefficient = 0.99999 Density of water = 1.00221 - Total H = 1.180210e+02 - Total O = 5.534286e+01 + Total H = 1.180185e+02 + Total O = 5.534163e+01 ----------------------------Distribution of species---------------------------- @@ -11140,10 +11133,10 @@ H2Sg(g) 2.94 8.612e+02 0.188 0.000e+00 5.332e+00 5.332e+00 H+ 1.004e-03 9.658e-04 -2.998 -3.015 -0.017 0.00 OH- 9.822e-10 9.450e-10 -9.008 -9.025 -0.017 (0) H2O 5.551e+01 9.499e-01 1.744 -0.022 0.000 17.98 -H(0) 1.124e-14 - H2 5.618e-15 5.618e-15 -14.250 -14.250 0.000 (0) +H(0) 1.136e-14 + H2 5.679e-15 5.679e-15 -14.246 -14.246 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -45.937 -45.937 0.000 (0) + O2 0.000e+00 0.000e+00 -45.956 -45.956 0.000 (0) Sg 3.679e+00 H2Sg 2.025e+00 2.025e+00 0.306 0.306 -0.000 35.19 (H2Sg)2 8.263e-01 8.263e-01 -0.083 -0.083 0.000 57.90 @@ -11153,10 +11146,10 @@ Sg 3.679e+00 Phase SI** log IAP log K(363 K, 888 atm) - H2(g) -11.04 22.95 33.98 H2 + H2(g) -11.03 -11.03 0.00 H2 H2O(g) 0.05 -0.02 -0.07 H2O Pressure 27.0 atm, phi 0.041 H2Sg(g) 2.21 -6.03 -8.24 H2Sg Pressure 861.2 atm, phi 0.188 - O2(g) -42.66 -45.94 -3.28 O2 + O2(g) -42.68 -45.96 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11190,7 +11183,7 @@ H2Sg(g) 2.93 8.432e+02 0.259 0.000e+00 3.867e+00 3.867e+00 ----------------------------Description of solution---------------------------- pH = 2.988 Charge balance - pe = 2.546 Adjusted to redox equilibrium + pe = 2.360 Adjusted to redox equilibrium Specific Conductance (µS/cm, 120°C) = 236 Density (g/cm³) = 1.00352 Volume (L) = 1.17742 @@ -11200,14 +11193,14 @@ H2Sg(g) 2.93 8.432e+02 0.259 0.000e+00 3.867e+00 3.867e+00 Total alkalinity (eq/kg) = 5.152e+00 Temperature (°C) = 120.00 Pressure (atm) = 888.20 - Electrical balance (eq) = 1.381e-18 + Electrical balance (eq) = 6.204e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 50 - Gamma iterations = 5 + Iterations = 58 + Gamma iterations = 8 Osmotic coefficient = 0.99999 Density of water = 0.98280 - Total H = 1.208736e+02 - Total O = 5.530376e+01 + Total H = 1.208711e+02 + Total O = 5.530253e+01 ----------------------------Distribution of species---------------------------- @@ -11215,12 +11208,12 @@ H2Sg(g) 2.93 8.432e+02 0.259 0.000e+00 3.867e+00 3.867e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.074e-03 1.029e-03 -2.969 -2.988 -0.019 0.00 - OH- 3.619e-09 3.467e-09 -8.441 -8.460 -0.019 (0) + OH- 3.619e-09 3.468e-09 -8.441 -8.460 -0.019 (0) H2O 5.551e+01 9.347e-01 1.744 -0.029 0.000 18.33 -H(0) 9.451e-15 - H2 4.726e-15 4.726e-15 -14.326 -14.326 0.000 (0) -O(0) 3.330e-40 - O2 1.665e-40 1.665e-40 -39.779 -39.779 0.000 (0) +H(0) 2.231e-14 + H2 1.116e-14 1.116e-14 -13.952 -13.952 0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -40.535 -40.535 0.000 (0) Sg 5.152e+00 H2Sg 2.339e+00 2.339e+00 0.369 0.369 0.000 36.91 (H2Sg)2 1.406e+00 1.406e+00 0.148 0.148 0.000 55.43 @@ -11230,10 +11223,10 @@ Sg 5.152e+00 Phase SI** log IAP log K(393 K, 888 atm) - H2(g) -11.07 19.86 30.93 H2 + H2(g) -10.69 -10.69 0.00 H2 H2O(g) 0.47 -0.03 -0.50 H2O Pressure 45.0 atm, phi 0.066 H2Sg(g) 2.34 -5.98 -8.31 H2Sg Pressure 843.2 atm, phi 0.259 - O2(g) -36.36 -39.78 -3.41 O2 + O2(g) -37.12 -40.53 -3.41 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11267,7 +11260,7 @@ H2Sg(g) 2.91 8.185e+02 0.336 0.000e+00 1.607e+00 1.607e+00 ----------------------------Description of solution---------------------------- pH = 2.996 Charge balance - pe = 2.413 Adjusted to redox equilibrium + pe = 2.339 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 290 Density (g/cm³) = 0.99875 Volume (L) = 1.26596 @@ -11277,14 +11270,14 @@ H2Sg(g) 2.91 8.185e+02 0.336 0.000e+00 1.607e+00 1.607e+00 Total alkalinity (eq/kg) = 7.411e+00 Temperature (°C) = 150.00 Pressure (atm) = 888.20 - Electrical balance (eq) = 1.370e-18 + Electrical balance (eq) = 4.357e-20 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 93 - Gamma iterations = 13 + Iterations = 51 + Gamma iterations = 4 Osmotic coefficient = 0.99999 Density of water = 0.96076 - Total H = 1.255317e+02 - Total O = 5.537311e+01 + Total H = 1.255292e+02 + Total O = 5.537188e+01 ----------------------------Distribution of species---------------------------- @@ -11294,23 +11287,23 @@ H2Sg(g) 2.91 8.185e+02 0.336 0.000e+00 1.607e+00 1.607e+00 H+ 1.056e-03 1.009e-03 -2.976 -2.996 -0.020 0.00 OH- 1.182e-08 1.129e-08 -7.928 -7.947 -0.020 (0) H2O 5.551e+01 9.117e-01 1.744 -0.040 0.000 18.75 -H(0) 1.533e-14 - H2 7.664e-15 7.664e-15 -14.116 -14.116 0.000 (0) -O(0) 1.779e-35 - O2 8.897e-36 8.897e-36 -35.051 -35.051 0.000 (0) +H(0) 2.159e-14 + H2 1.079e-14 1.079e-14 -13.967 -13.967 0.000 (0) +O(0) 8.764e-36 + O2 4.382e-36 4.382e-36 -35.358 -35.358 0.000 (0) Sg 7.411e+00 H2Sg 2.847e+00 2.847e+00 0.454 0.454 0.000 38.51 - (H2Sg)2 2.281e+00 2.281e+00 0.358 0.358 0.000 51.98 + (H2Sg)2 2.281e+00 2.281e+00 0.358 0.358 -0.000 51.98 HSg- 1.056e-03 1.009e-03 -2.976 -2.996 -0.020 17.91 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(423 K, 888 atm) - H2(g) -10.82 17.49 28.30 H2 + H2(g) -10.67 -10.67 0.00 H2 H2O(g) 0.83 -0.04 -0.87 H2O Pressure 69.7 atm, phi 0.096 H2Sg(g) 2.44 -5.99 -8.43 H2Sg Pressure 818.5 atm, phi 0.336 - O2(g) -31.52 -35.05 -3.53 O2 + O2(g) -31.83 -35.36 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11367,7 +11360,7 @@ H2Sg(g) 2.99 9.789e+02 0.080 0.000e+00 6.303e+00 6.303e+00 ----------------------------Description of solution---------------------------- pH = 3.200 Charge balance - pe = 2.095 Adjusted to redox equilibrium + pe = 2.051 Adjusted to redox equilibrium Specific Conductance (µS/cm, 30°C) = 45 Density (g/cm³) = 1.05102 Volume (L) = 1.04320 @@ -11377,14 +11370,14 @@ H2Sg(g) 2.99 9.789e+02 0.080 0.000e+00 6.303e+00 6.303e+00 Total alkalinity (eq/kg) = 2.699e+00 Temperature (°C) = 30.00 Pressure (atm) = 986.90 - Electrical balance (eq) = 1.942e-16 + Electrical balance (eq) = 7.818e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 51 - Gamma iterations = 5 + Iterations = 55 + Gamma iterations = 18 Osmotic coefficient = 1.00000 Density of water = 1.03610 - Total H = 1.163110e+02 - Total O = 5.545866e+01 + Total H = 1.163085e+02 + Total O = 5.545742e+01 ----------------------------Distribution of species---------------------------- @@ -11394,10 +11387,10 @@ H2Sg(g) 2.99 9.789e+02 0.080 0.000e+00 6.303e+00 6.303e+00 H+ 6.490e-04 6.313e-04 -3.188 -3.200 -0.012 0.00 OH- 4.499e-11 4.376e-11 -10.347 -10.359 -0.012 (0) H2O 5.551e+01 9.566e-01 1.744 -0.019 0.000 17.39 -H(0) 4.171e-14 - H2 2.085e-14 2.085e-14 -13.681 -13.681 0.000 (0) +H(0) 5.088e-14 + H2 2.544e-14 2.544e-14 -13.595 -13.595 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -62.626 -62.626 0.000 (0) + O2 0.000e+00 0.000e+00 -62.808 -62.808 0.000 (0) Sg 2.699e+00 H2Sg 2.230e+00 2.230e+00 0.348 0.348 0.000 28.76 (H2Sg)2 2.346e-01 2.346e-01 -0.630 -0.630 0.000 63.37 @@ -11407,10 +11400,10 @@ Sg 2.699e+00 Phase SI** log IAP log K(303 K, 987 atm) - H2(g) -10.59 31.29 41.88 H2 + H2(g) -10.50 -10.50 0.00 H2 H2O(g) -1.10 -0.02 1.08 H2O Pressure 8.0 atm, phi 0.010 H2Sg(g) 1.89 -6.40 -8.29 H2Sg Pressure 978.9 atm, phi 0.080 - O2(g) -59.69 -62.63 -2.94 O2 + O2(g) -59.87 -62.81 -2.94 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11444,7 +11437,7 @@ H2Sg(g) 2.99 9.707e+02 0.130 0.000e+00 6.125e+00 6.125e+00 ----------------------------Description of solution---------------------------- pH = 3.075 Charge balance - pe = 2.341 Adjusted to redox equilibrium + pe = 2.410 Adjusted to redox equilibrium Specific Conductance (µS/cm, 60°C) = 100 Density (g/cm³) = 1.03193 Volume (L) = 1.06784 @@ -11454,14 +11447,14 @@ H2Sg(g) 2.99 9.707e+02 0.130 0.000e+00 6.125e+00 6.125e+00 Total alkalinity (eq/kg) = 2.880e+00 Temperature (°C) = 60.00 Pressure (atm) = 986.90 - Electrical balance (eq) = 6.853e-18 + Electrical balance (eq) = 5.860e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 52 - Gamma iterations = 9 + Iterations = 46 + Gamma iterations = 5 Osmotic coefficient = 0.99999 Density of water = 1.02248 - Total H = 1.165653e+02 - Total O = 5.540779e+01 + Total H = 1.165628e+02 + Total O = 5.540655e+01 ----------------------------Distribution of species---------------------------- @@ -11471,10 +11464,10 @@ H2Sg(g) 2.99 9.707e+02 0.130 0.000e+00 6.125e+00 6.125e+00 H+ 8.704e-04 8.415e-04 -3.060 -3.075 -0.015 0.00 OH- 2.365e-10 2.286e-10 -9.626 -9.641 -0.015 (0) H2O 5.551e+01 9.570e-01 1.744 -0.019 0.000 17.62 -H(0) 2.054e-14 - H2 1.027e-14 1.027e-14 -13.988 -13.988 0.000 (0) +H(0) 1.495e-14 + H2 7.474e-15 7.474e-15 -14.126 -14.126 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -53.506 -53.506 0.000 (0) + O2 0.000e+00 0.000e+00 -53.240 -53.240 0.000 (0) Sg 2.880e+00 H2Sg 1.993e+00 1.993e+00 0.300 0.300 -0.000 32.22 (H2Sg)2 4.431e-01 4.431e-01 -0.353 -0.353 0.000 62.20 @@ -11484,10 +11477,10 @@ Sg 2.880e+00 Phase SI** log IAP log K(333 K, 987 atm) - H2(g) -10.83 26.73 37.56 H2 + H2(g) -10.97 -10.97 0.00 H2 H2O(g) -0.45 -0.02 0.43 H2O Pressure 16.2 atm, phi 0.022 H2Sg(g) 2.10 -6.15 -8.25 H2Sg Pressure 970.7 atm, phi 0.130 - O2(g) -50.38 -53.51 -3.12 O2 + O2(g) -50.12 -53.24 -3.12 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11521,7 +11514,7 @@ H2Sg(g) 2.98 9.576e+02 0.192 0.000e+00 5.298e+00 5.298e+00 ----------------------------Description of solution---------------------------- pH = 3.003 Charge balance - pe = 2.486 Adjusted to redox equilibrium + pe = 2.517 Adjusted to redox equilibrium Specific Conductance (µS/cm, 90°C) = 170 Density (g/cm³) = 1.01692 Volume (L) = 1.11188 @@ -11531,14 +11524,14 @@ H2Sg(g) 2.98 9.576e+02 0.192 0.000e+00 5.298e+00 5.298e+00 Total alkalinity (eq/kg) = 3.712e+00 Temperature (°C) = 90.00 Pressure (atm) = 986.90 - Electrical balance (eq) = 5.448e-16 + Electrical balance (eq) = 1.018e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 34 - Gamma iterations = 5 + Iterations = 55 + Gamma iterations = 6 Osmotic coefficient = 0.99999 Density of water = 1.00587 - Total H = 1.180986e+02 - Total O = 5.534776e+01 + Total H = 1.180962e+02 + Total O = 5.534653e+01 ----------------------------Distribution of species---------------------------- @@ -11546,12 +11539,12 @@ H2Sg(g) 2.98 9.576e+02 0.192 0.000e+00 5.298e+00 5.298e+00 Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.033e-03 9.935e-04 -2.986 -3.003 -0.017 0.00 - OH- 1.011e-09 9.719e-10 -8.995 -9.012 -0.017 (0) + OH- 1.011e-09 9.720e-10 -8.995 -9.012 -0.017 (0) H2O 5.551e+01 9.490e-01 1.744 -0.023 0.000 17.91 -H(0) 1.291e-14 - H2 6.455e-15 6.455e-15 -14.190 -14.190 0.000 (0) +H(0) 1.120e-14 + H2 5.600e-15 5.600e-15 -14.252 -14.252 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -46.008 -46.008 0.000 (0) + O2 0.000e+00 0.000e+00 -45.895 -45.895 0.000 (0) Sg 3.712e+00 H2Sg 2.101e+00 2.101e+00 0.322 0.322 0.000 34.37 (H2Sg)2 8.052e-01 8.052e-01 -0.094 -0.094 0.000 60.52 @@ -11561,10 +11554,10 @@ Sg 3.712e+00 Phase SI** log IAP log K(363 K, 987 atm) - H2(g) -10.98 22.98 33.96 H2 + H2(g) -11.04 -11.04 0.00 H2 H2O(g) 0.07 -0.02 -0.09 H2O Pressure 29.3 atm, phi 0.040 H2Sg(g) 2.27 -6.01 -8.27 H2Sg Pressure 957.6 atm, phi 0.192 - O2(g) -42.73 -46.01 -3.28 O2 + O2(g) -42.61 -45.90 -3.28 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11598,7 +11591,7 @@ H2Sg(g) 2.97 9.382e+02 0.264 0.000e+00 3.798e+00 3.798e+00 ----------------------------Description of solution---------------------------- pH = 2.974 Charge balance - pe = 2.525 Adjusted to redox equilibrium + pe = 2.505 Adjusted to redox equilibrium Specific Conductance (µS/cm, 120°C) = 241 Density (g/cm³) = 1.00524 Volume (L) = 1.17805 @@ -11608,14 +11601,14 @@ H2Sg(g) 2.97 9.382e+02 0.264 0.000e+00 3.798e+00 3.798e+00 Total alkalinity (eq/kg) = 5.221e+00 Temperature (°C) = 120.00 Pressure (atm) = 986.90 - Electrical balance (eq) = 1.135e-15 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 33 + Electrical balance (eq) = -1.226e-18 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 + Iterations = 36 Gamma iterations = 5 Osmotic coefficient = 0.99999 Density of water = 0.98664 - Total H = 1.210296e+02 - Total O = 5.531265e+01 + Total H = 1.210271e+02 + Total O = 5.531142e+01 ----------------------------Distribution of species---------------------------- @@ -11625,23 +11618,23 @@ H2Sg(g) 2.97 9.382e+02 0.264 0.000e+00 3.798e+00 3.798e+00 H+ 1.107e-03 1.061e-03 -2.956 -2.974 -0.019 0.00 OH- 3.702e-09 3.546e-09 -8.432 -8.450 -0.019 (0) H2O 5.551e+01 9.334e-01 1.744 -0.030 0.000 18.26 -H(0) 1.109e-14 - H2 5.544e-15 5.544e-15 -14.256 -14.256 0.000 (0) -O(0) 2.687e-40 - O2 1.343e-40 1.343e-40 -39.872 -39.872 0.000 (0) +H(0) 1.214e-14 + H2 6.069e-15 6.069e-15 -14.217 -14.217 0.000 (0) +O(0) 2.190e-40 + O2 1.095e-40 1.095e-40 -39.961 -39.961 0.000 (0) Sg 5.221e+00 H2Sg 2.428e+00 2.428e+00 0.385 0.385 0.000 36.04 - (H2Sg)2 1.396e+00 1.396e+00 0.145 0.145 -0.000 58.17 + (H2Sg)2 1.396e+00 1.396e+00 0.145 0.145 0.000 58.17 HSg- 1.107e-03 1.061e-03 -2.956 -2.974 -0.019 19.71 ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(393 K, 987 atm) - H2(g) -11.00 19.91 30.90 H2 + H2(g) -10.96 -10.96 0.00 H2 H2O(g) 0.50 -0.03 -0.53 H2O Pressure 48.7 atm, phi 0.064 H2Sg(g) 2.39 -5.95 -8.34 H2Sg Pressure 938.2 atm, phi 0.264 - O2(g) -36.46 -39.87 -3.41 O2 + O2(g) -36.55 -39.96 -3.41 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11675,7 +11668,7 @@ H2Sg(g) 2.96 9.117e+02 0.341 0.000e+00 1.437e+00 1.437e+00 ----------------------------Description of solution---------------------------- pH = 2.982 Charge balance - pe = 2.441 Adjusted to redox equilibrium + pe = 2.160 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 296 Density (g/cm³) = 0.99940 Volume (L) = 1.27161 @@ -11685,14 +11678,14 @@ H2Sg(g) 2.96 9.117e+02 0.341 0.000e+00 1.437e+00 1.437e+00 Total alkalinity (eq/kg) = 7.579e+00 Temperature (°C) = 150.00 Pressure (atm) = 986.90 - Electrical balance (eq) = -3.104e-19 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 62 - Gamma iterations = 9 + Electrical balance (eq) = 2.894e-15 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 + Iterations = 41 + Gamma iterations = 6 Osmotic coefficient = 0.99999 Density of water = 0.96495 - Total H = 1.259077e+02 - Total O = 5.539127e+01 + Total H = 1.259053e+02 + Total O = 5.539004e+01 ----------------------------Distribution of species---------------------------- @@ -11702,10 +11695,10 @@ H2Sg(g) 2.96 9.117e+02 0.341 0.000e+00 1.437e+00 1.437e+00 H+ 1.091e-03 1.042e-03 -2.962 -2.982 -0.020 0.00 OH- 1.201e-08 1.147e-08 -7.920 -7.940 -0.020 (0) H2O 5.551e+01 9.094e-01 1.744 -0.041 0.000 18.67 -H(0) 1.438e-14 - H2 7.191e-15 7.191e-15 -14.143 -14.143 0.000 (0) -O(0) 2.227e-35 - O2 1.113e-35 1.113e-35 -34.953 -34.953 0.000 (0) +H(0) 5.248e-14 + H2 2.624e-14 2.624e-14 -13.581 -13.581 0.000 (0) +O(0) 1.634e-36 + O2 8.168e-37 8.168e-37 -36.088 -36.088 0.000 (0) Sg 7.579e+00 H2Sg 2.960e+00 2.960e+00 0.471 0.471 0.000 37.56 (H2Sg)2 2.309e+00 2.309e+00 0.363 0.363 0.000 54.91 @@ -11715,10 +11708,10 @@ Sg 7.579e+00 Phase SI** log IAP log K(423 K, 987 atm) - H2(g) -10.85 17.44 28.28 H2 + H2(g) -10.28 -10.28 0.00 H2 H2O(g) 0.85 -0.04 -0.89 H2O Pressure 75.2 atm, phi 0.094 H2Sg(g) 2.49 -5.96 -8.46 H2Sg Pressure 911.7 atm, phi 0.341 - O2(g) -31.43 -34.95 -3.53 O2 + O2(g) -32.56 -36.09 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11803,7 +11796,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.792 Charge balance - pe = 14.496 Adjusted to redox equilibrium + pe = 14.217 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 10 Density (g/cm³) = 0.99756 Volume (L) = 1.01084 @@ -11813,14 +11806,14 @@ Reaction 1. Total alkalinity (eq/kg) = 2.320e-01 Temperature (°C) = 25.00 Pressure (atm) = 9.86 - Electrical balance (eq) = -5.203e-18 + Electrical balance (eq) = -5.132e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 62 + Iterations = 52 Gamma iterations = 3 Osmotic coefficient = 0.99999 Density of water = 0.99744 - Total H = 1.114838e+02 - Total O = 5.550991e+01 + Total H = 1.114814e+02 + Total O = 5.550868e+01 ----------------------------Distribution of species---------------------------- @@ -11828,12 +11821,12 @@ Reaction 1. Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.637e-04 1.614e-04 -3.786 -3.792 -0.006 0.00 - OH- 6.304e-11 6.212e-11 -10.200 -10.207 -0.006 (0) + OH- 6.305e-11 6.213e-11 -10.200 -10.207 -0.006 (0) H2O 5.551e+01 9.959e-01 1.744 -0.002 0.000 18.06 -H(0) 4.411e-40 - H2 2.206e-40 2.206e-40 -39.656 -39.656 0.000 (0) -O(0) 2.994e-13 - O2 1.497e-13 1.497e-13 -12.825 -12.825 0.000 (0) +H(0) 1.596e-39 + H2 7.978e-40 7.978e-40 -39.098 -39.098 0.000 (0) +O(0) 2.235e-14 + O2 1.118e-14 1.118e-14 -13.952 -13.952 0.000 (0) Sg 2.320e-01 H2Sg 2.264e-01 2.264e-01 -0.645 -0.645 0.000 36.17 (H2Sg)2 2.741e-03 2.741e-03 -2.562 -2.562 0.000 30.50 @@ -11843,10 +11836,10 @@ Sg 2.320e-01 Phase SI** log IAP log K(298 K, 10 atm) - H2(g) -36.58 6.41 42.99 H2 + H2(g) -36.02 -36.02 0.00 H2 H2O(g) -1.50 -0.00 1.50 H2O H2Sg(g) 0.35 -7.58 -7.94 H2Sg - O2(g) -9.92 -12.82 -2.90 O2 + O2(g) -11.05 -13.95 -2.90 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11881,7 +11874,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.758 Charge balance - pe = 14.354 Adjusted to redox equilibrium + pe = 14.220 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 11 Density (g/cm³) = 1.00634 Volume (L) = 1.00256 @@ -11891,14 +11884,14 @@ Reaction 1. Total alkalinity (eq/kg) = 2.470e-01 Temperature (°C) = 25.00 Pressure (atm) = 197.24 - Electrical balance (eq) = -5.504e-18 + Electrical balance (eq) = -5.255e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 39 + Iterations = 23 Gamma iterations = 3 Osmotic coefficient = 0.99999 Density of water = 1.00579 - Total H = 1.115138e+02 - Total O = 5.550991e+01 + Total H = 1.115114e+02 + Total O = 5.550868e+01 ----------------------------Distribution of species---------------------------- @@ -11906,12 +11899,12 @@ Reaction 1. Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.772e-04 1.746e-04 -3.751 -3.758 -0.007 0.00 - OH- 6.685e-11 6.584e-11 -10.175 -10.182 -0.007 (0) + OH- 6.685e-11 6.584e-11 -10.175 -10.181 -0.007 (0) H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 17.91 -H(0) 9.940e-40 - H2 4.970e-40 4.970e-40 -39.304 -39.304 0.000 (0) -O(0) 7.754e-14 - O2 3.877e-14 3.877e-14 -13.411 -13.411 0.000 (0) +H(0) 1.840e-39 + H2 9.199e-40 9.199e-40 -39.036 -39.036 0.000 (0) +O(0) 2.211e-14 + O2 1.105e-14 1.105e-14 -13.957 -13.957 0.000 (0) Sg 2.470e-01 H2Sg 2.392e-01 2.392e-01 -0.621 -0.621 0.000 34.15 (H2Sg)2 3.825e-03 3.825e-03 -2.417 -2.417 0.000 38.61 @@ -11921,10 +11914,10 @@ Sg 2.470e-01 Phase SI** log IAP log K(298 K, 197 atm) - H2(g) -36.22 6.70 42.93 H2 + H2(g) -35.96 -35.96 0.00 H2 H2O(g) -1.44 -0.00 1.44 H2O H2Sg(g) 0.49 -7.52 -8.01 H2Sg - O2(g) -10.51 -13.41 -2.90 O2 + O2(g) -11.06 -13.96 -2.90 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -11959,7 +11952,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.630 Charge balance - pe = 2.114 Adjusted to redox equilibrium + pe = 1.413 Adjusted to redox equilibrium Specific Conductance (µS/cm, 50°C) = 24 Density (g/cm³) = 0.99616 Volume (L) = 1.01288 @@ -11969,14 +11962,14 @@ Reaction 1. Total alkalinity (eq/kg) = 2.490e-01 Temperature (°C) = 50.00 Pressure (atm) = 197.34 - Electrical balance (eq) = -1.291e-17 + Electrical balance (eq) = -1.497e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 48 - Gamma iterations = 16 + Iterations = 42 + Gamma iterations = 13 Osmotic coefficient = 0.99999 Density of water = 0.99645 - Total H = 1.115178e+02 - Total O = 5.550991e+01 + Total H = 1.115154e+02 + Total O = 5.550868e+01 ----------------------------Distribution of species---------------------------- @@ -11986,10 +11979,10 @@ Reaction 1. H+ 2.389e-04 2.346e-04 -3.622 -3.630 -0.008 0.00 OH- 2.821e-10 2.770e-10 -9.550 -9.558 -0.008 (0) H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 18.08 -H(0) 4.747e-15 - H2 2.374e-15 2.374e-15 -14.625 -14.625 0.000 (0) +H(0) 1.200e-13 + H2 5.998e-14 5.998e-14 -13.222 -13.222 0.000 (0) O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -55.308 -55.308 0.000 (0) + O2 0.000e+00 0.000e+00 -58.124 -58.124 0.000 (0) Sg 2.490e-01 H2Sg 2.356e-01 2.356e-01 -0.628 -0.628 0.000 38.46 (H2Sg)2 6.577e-03 6.577e-03 -2.182 -2.182 0.000 37.42 @@ -11999,10 +11992,10 @@ Sg 2.490e-01 Phase SI** log IAP log K(323 K, 197 atm) - H2(g) -11.49 27.65 39.14 H2 + H2(g) -10.09 -10.09 0.00 H2 H2O(g) -0.86 -0.00 0.86 H2O H2Sg(g) 0.72 -7.26 -7.98 H2Sg - O2(g) -52.24 -55.31 -3.06 O2 + O2(g) -55.06 -58.12 -3.06 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12037,7 +12030,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.548 Charge balance - pe = 9.581 Adjusted to redox equilibrium + pe = 9.477 Adjusted to redox equilibrium Specific Conductance (µS/cm, 100°C) = 57 Density (g/cm³) = 0.96666 Volume (L) = 1.04387 @@ -12047,14 +12040,14 @@ Reaction 1. Total alkalinity (eq/kg) = 2.510e-01 Temperature (°C) = 100.00 Pressure (atm) = 197.24 - Electrical balance (eq) = 3.392e-17 + Electrical balance (eq) = 3.492e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 17 + Iterations = 19 Gamma iterations = 3 Osmotic coefficient = 0.99998 Density of water = 0.96751 - Total H = 1.115218e+02 - Total O = 5.550991e+01 + Total H = 1.115194e+02 + Total O = 5.550868e+01 ----------------------------Distribution of species---------------------------- @@ -12064,10 +12057,10 @@ Reaction 1. H+ 2.897e-04 2.832e-04 -3.538 -3.548 -0.010 0.00 OH- 3.741e-09 3.658e-09 -8.427 -8.437 -0.010 (0) H2O 5.551e+01 9.957e-01 1.744 -0.002 0.000 18.62 -H(0) 6.550e-30 - H2 3.275e-30 3.275e-30 -29.485 -29.485 0.000 (0) -O(0) 4.335e-14 - O2 2.168e-14 2.168e-14 -13.664 -13.664 0.000 (0) +H(0) 1.056e-29 + H2 5.281e-30 5.281e-30 -29.277 -29.277 0.000 (0) +O(0) 1.629e-14 + O2 8.143e-15 8.143e-15 -14.089 -14.089 0.000 (0) Sg 2.510e-01 H2Sg 2.290e-01 2.290e-01 -0.640 -0.640 0.000 43.31 (H2Sg)2 1.084e-02 1.084e-02 -1.965 -1.965 0.000 33.31 @@ -12077,10 +12070,10 @@ Sg 2.510e-01 Phase SI** log IAP log K(373 K, 197 atm) - H2(g) -26.26 6.83 33.09 H2 + H2(g) -26.05 -26.05 0.00 H2 H2O(g) 0.04 -0.00 -0.05 H2O H2Sg(g) 0.96 -7.10 -8.06 H2Sg - O2(g) -10.34 -13.66 -3.33 O2 + O2(g) -10.76 -14.09 -3.33 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12115,7 +12108,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.620 Charge balance - pe = 7.237 Adjusted to redox equilibrium + pe = 2.074 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 74 Density (g/cm³) = 0.92666 Volume (L) = 1.08897 @@ -12125,14 +12118,14 @@ Reaction 1. Total alkalinity (eq/kg) = 2.520e-01 Temperature (°C) = 150.00 Pressure (atm) = 197.24 - Electrical balance (eq) = 4.848e-16 + Electrical balance (eq) = 4.851e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 14 + Iterations = 30 Gamma iterations = 3 Osmotic coefficient = 0.99998 Density of water = 0.92772 - Total H = 1.115238e+02 - Total O = 5.550991e+01 + Total H = 1.115214e+02 + Total O = 5.550868e+01 ----------------------------Distribution of species---------------------------- @@ -12140,12 +12133,12 @@ Reaction 1. Species Molality Activity Molality Activity Gamma cm³/mol H+ 2.458e-04 2.400e-04 -3.609 -3.620 -0.010 0.00 - OH- 3.669e-08 3.582e-08 -7.435 -7.446 -0.010 (0) + OH- 3.669e-08 3.583e-08 -7.435 -7.446 -0.010 (0) H2O 5.551e+01 9.957e-01 1.744 -0.002 0.000 19.42 -H(0) 1.948e-25 - H2 9.741e-26 9.741e-26 -25.011 -25.011 0.000 (0) -O(0) 6.276e-14 - O2 3.138e-14 3.138e-14 -13.503 -13.503 0.000 (0) +H(0) 4.128e-15 + H2 2.064e-15 2.064e-15 -14.685 -14.685 0.000 (0) +O(0) 1.366e-34 + O2 6.828e-35 6.828e-35 -34.166 -34.166 0.000 (0) Sg 2.520e-01 H2Sg 2.288e-01 2.288e-01 -0.640 -0.640 0.000 47.04 (H2Sg)2 1.146e-02 1.146e-02 -1.941 -1.941 0.000 25.32 @@ -12155,10 +12148,10 @@ Sg 2.520e-01 Phase SI** log IAP log K(423 K, 197 atm) - H2(g) -21.71 6.75 28.46 H2 + H2(g) -11.39 -11.39 0.00 H2 H2O(g) 0.70 -0.00 -0.71 H2O H2Sg(g) 1.03 -7.24 -8.27 H2Sg - O2(g) -9.98 -13.50 -3.53 O2 + O2(g) -30.64 -34.17 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12209,8 +12202,8 @@ Reaction 1. Gamma iterations = 3 Osmotic coefficient = 0.99999 Density of water = 0.87757 - Total H = 1.115278e+02 - Total O = 5.550991e+01 + Total H = 1.115254e+02 + Total O = 5.550868e+01 ----------------------------Distribution of species---------------------------- @@ -12220,10 +12213,10 @@ Reaction 1. H+ 1.656e-04 1.619e-04 -3.781 -3.791 -0.010 0.00 OH- 2.905e-07 2.839e-07 -6.537 -6.547 -0.010 (0) H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 20.53 -H(0) 3.580e-23 +H(0) 3.579e-23 H2 1.790e-23 1.790e-23 -22.747 -22.747 0.000 (0) -O(0) 3.011e-11 - O2 1.506e-11 1.506e-11 -10.822 -10.822 0.000 (0) +O(0) 2.942e-11 + O2 1.471e-11 1.471e-11 -10.832 -10.832 0.000 (0) Sg 2.540e-01 H2Sg 2.348e-01 2.348e-01 -0.629 -0.629 0.000 51.94 (H2Sg)2 9.507e-03 9.507e-03 -2.022 -2.022 0.000 8.82 @@ -12233,10 +12226,10 @@ Sg 2.540e-01 Phase SI** log IAP log K(473 K, 197 atm) - H2(g) -19.39 5.41 24.80 H2 + H2(g) -19.39 -19.39 0.00 H2 H2O(g) 1.20 -0.00 -1.20 H2O H2Sg(g) 1.01 -7.58 -8.59 H2Sg - O2(g) -7.14 -10.82 -3.69 O2 + O2(g) -7.15 -10.83 -3.69 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12287,8 +12280,8 @@ Reaction 1. Gamma iterations = 3 Osmotic coefficient = 0.99999 Density of water = 0.81617 - Total H = 1.115518e+02 - Total O = 5.550991e+01 + Total H = 1.115494e+02 + Total O = 5.550868e+01 ----------------------------Distribution of species---------------------------- @@ -12300,8 +12293,8 @@ Reaction 1. H2O 5.551e+01 9.954e-01 1.744 -0.002 0.000 22.07 H(0) 1.308e-20 H2 6.538e-21 6.538e-21 -20.185 -20.185 0.000 (0) -O(0) 1.380e-10 - O2 6.901e-11 6.901e-11 -10.161 -10.161 0.000 (0) +O(0) 1.349e-10 + O2 6.744e-11 6.744e-11 -10.171 -10.171 0.000 (0) Sg 2.660e-01 H2Sg 2.507e-01 2.507e-01 -0.601 -0.601 0.000 61.45 (H2Sg)2 7.619e-03 7.619e-03 -2.118 -2.118 0.000 -29.51 @@ -12311,10 +12304,10 @@ Sg 2.660e-01 Phase SI** log IAP log K(523 K, 197 atm) - H2(g) -16.79 5.08 21.87 H2 + H2(g) -16.79 -16.79 0.00 H2 H2O(g) 1.57 -0.00 -1.57 H2O H2Sg(g) 0.94 -8.03 -8.97 H2Sg - O2(g) -6.35 -10.16 -3.81 O2 + O2(g) -6.36 -10.17 -3.81 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12365,8 +12358,8 @@ Reaction 1. Gamma iterations = 3 Osmotic coefficient = 1.00000 Density of water = 0.73424 - Total H = 1.115398e+02 - Total O = 5.550991e+01 + Total H = 1.115374e+02 + Total O = 5.550868e+01 ----------------------------Distribution of species---------------------------- @@ -12374,12 +12367,12 @@ Reaction 1. Species Molality Activity Molality Activity Gamma cm³/mol H+ 6.050e-05 5.924e-05 -4.218 -4.227 -0.009 0.00 - OH- 9.346e-06 9.152e-06 -5.029 -5.038 -0.009 (0) + OH- 9.346e-06 9.153e-06 -5.029 -5.038 -0.009 (0) H2O 5.551e+01 9.954e-01 1.744 -0.002 0.000 24.53 H(0) 3.269e-18 H2 1.635e-18 1.635e-18 -17.787 -17.787 0.000 (0) -O(0) 1.399e-10 - O2 6.995e-11 6.995e-11 -10.155 -10.155 0.000 (0) +O(0) 1.367e-10 + O2 6.836e-11 6.836e-11 -10.165 -10.165 0.000 (0) Sg 2.600e-01 H2Sg 2.464e-01 2.464e-01 -0.608 -0.608 0.000 89.25 (H2Sg)2 6.797e-03 6.797e-03 -2.168 -2.168 0.000 -148.78 @@ -12389,10 +12382,10 @@ Sg 2.600e-01 Phase SI** log IAP log K(573 K, 197 atm) - H2(g) -14.35 5.08 19.43 H2 + H2(g) -14.35 -14.35 0.00 H2 H2O(g) 1.85 -0.00 -1.85 H2O H2Sg(g) 0.83 -8.53 -9.35 H2Sg - O2(g) -6.24 -10.16 -3.92 O2 + O2(g) -6.25 -10.17 -3.92 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12427,7 +12420,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.746 Charge balance - pe = 14.123 Adjusted to redox equilibrium + pe = 14.250 Adjusted to redox equilibrium Specific Conductance (µS/cm, 25°C) = 11 Density (g/cm³) = 1.01303 Volume (L) = 0.99591 @@ -12437,14 +12430,14 @@ Reaction 1. Total alkalinity (eq/kg) = 2.460e-01 Temperature (°C) = 25.00 Pressure (atm) = 345.17 - Electrical balance (eq) = -5.393e-18 + Electrical balance (eq) = -5.296e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 36 + Iterations = 38 Gamma iterations = 3 Osmotic coefficient = 0.99999 Density of water = 1.01221 - Total H = 1.115118e+02 - Total O = 5.550991e+01 + Total H = 1.115094e+02 + Total O = 5.550868e+01 ----------------------------Distribution of species---------------------------- @@ -12452,12 +12445,12 @@ Reaction 1. Species Molality Activity Molality Activity Gamma cm³/mol H+ 1.822e-04 1.794e-04 -3.739 -3.746 -0.007 0.00 - OH- 7.237e-11 7.127e-11 -10.140 -10.147 -0.007 (0) + OH- 7.237e-11 7.128e-11 -10.140 -10.147 -0.007 (0) H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 17.80 -H(0) 3.038e-39 - H2 1.519e-39 1.519e-39 -38.818 -38.818 0.000 (0) -O(0) 1.028e-14 - O2 5.139e-15 5.139e-15 -14.289 -14.289 0.000 (0) +H(0) 1.690e-39 + H2 8.450e-40 8.450e-40 -39.073 -39.073 0.000 (0) +O(0) 3.243e-14 + O2 1.622e-14 1.622e-14 -13.790 -13.790 0.000 (0) Sg 2.460e-01 H2Sg 2.378e-01 2.378e-01 -0.624 -0.624 0.000 32.73 (H2Sg)2 4.013e-03 4.013e-03 -2.396 -2.396 0.000 44.29 @@ -12467,10 +12460,10 @@ Sg 2.460e-01 Phase SI** log IAP log K(298 K, 345 atm) - H2(g) -35.74 7.14 42.88 H2 + H2(g) -35.99 -35.99 0.00 H2 H2O(g) -1.40 -0.00 1.39 H2O H2Sg(g) 0.57 -7.49 -8.06 H2Sg - O2(g) -11.39 -14.29 -2.90 O2 + O2(g) -10.89 -13.79 -2.90 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12505,7 +12498,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.615 Charge balance - pe = 12.351 Adjusted to redox equilibrium + pe = 1.558 Adjusted to redox equilibrium Specific Conductance (µS/cm, 50°C) = 25 Density (g/cm³) = 1.00261 Volume (L) = 1.00636 @@ -12515,14 +12508,14 @@ Reaction 1. Total alkalinity (eq/kg) = 2.490e-01 Temperature (°C) = 50.00 Pressure (atm) = 345.17 - Electrical balance (eq) = -1.338e-17 + Electrical balance (eq) = -1.236e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 44 - Gamma iterations = 3 + Iterations = 42 + Gamma iterations = 22 Osmotic coefficient = 0.99999 Density of water = 1.00259 - Total H = 1.115178e+02 - Total O = 5.550991e+01 + Total H = 1.115154e+02 + Total O = 5.550868e+01 ----------------------------Distribution of species---------------------------- @@ -12532,10 +12525,10 @@ Reaction 1. H+ 2.474e-04 2.429e-04 -3.607 -3.615 -0.008 0.00 OH- 3.010e-10 2.954e-10 -9.521 -9.530 -0.008 (0) H2O 5.551e+01 9.956e-01 1.744 -0.002 0.000 17.97 -H(0) 1.714e-35 - H2 8.569e-36 8.569e-36 -35.067 -35.067 0.000 (0) -O(0) 9.202e-15 - O2 4.601e-15 4.601e-15 -14.337 -14.337 0.000 (0) +H(0) 6.600e-14 + H2 3.300e-14 3.300e-14 -13.481 -13.481 0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -57.519 -57.519 0.000 (0) Sg 2.490e-01 H2Sg 2.343e-01 2.343e-01 -0.630 -0.630 0.000 36.82 (H2Sg)2 7.213e-03 7.213e-03 -2.142 -2.142 0.000 43.16 @@ -12545,10 +12538,10 @@ Sg 2.490e-01 Phase SI** log IAP log K(323 K, 345 atm) - H2(g) -31.93 7.17 39.10 H2 + H2(g) -10.34 -10.34 0.00 H2 H2O(g) -0.82 -0.00 0.81 H2O H2Sg(g) 0.80 -7.23 -8.03 H2Sg - O2(g) -11.27 -14.34 -3.06 O2 + O2(g) -54.45 -57.52 -3.06 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12583,7 +12576,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.532 Charge balance - pe = 10.180 Adjusted to redox equilibrium + pe = 2.839 Adjusted to redox equilibrium Specific Conductance (µS/cm, 100°C) = 58 Density (g/cm³) = 0.97352 Volume (L) = 1.03647 @@ -12593,14 +12586,14 @@ Reaction 1. Total alkalinity (eq/kg) = 2.500e-01 Temperature (°C) = 100.00 Pressure (atm) = 345.17 - Electrical balance (eq) = 7.294e-17 + Electrical balance (eq) = 1.861e-18 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 18 - Gamma iterations = 3 + Iterations = 37 + Gamma iterations = 17 Osmotic coefficient = 0.99998 Density of water = 0.97404 - Total H = 1.115198e+02 - Total O = 5.550991e+01 + Total H = 1.115174e+02 + Total O = 5.550868e+01 ----------------------------Distribution of species---------------------------- @@ -12610,10 +12603,10 @@ Reaction 1. H+ 3.007e-04 2.939e-04 -3.522 -3.532 -0.010 0.00 OH- 3.940e-09 3.851e-09 -8.405 -8.414 -0.010 (0) H2O 5.551e+01 9.957e-01 1.744 -0.002 0.000 18.50 -H(0) 4.453e-31 - H2 2.227e-31 2.227e-31 -30.652 -30.652 0.000 (0) -O(0) 1.120e-11 - O2 5.598e-12 5.598e-12 -11.252 -11.252 0.000 (0) +H(0) 2.150e-16 + H2 1.075e-16 1.075e-16 -15.969 -15.969 0.000 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -40.629 -40.629 0.000 (0) Sg 2.500e-01 H2Sg 2.254e-01 2.254e-01 -0.647 -0.647 0.000 41.40 (H2Sg)2 1.216e-02 1.216e-02 -1.915 -1.915 0.000 39.35 @@ -12623,10 +12616,10 @@ Sg 2.500e-01 Phase SI** log IAP log K(373 K, 345 atm) - H2(g) -27.42 5.62 33.05 H2 + H2(g) -12.74 -12.74 0.00 H2 H2O(g) 0.08 -0.00 -0.09 H2O H2Sg(g) 1.04 -7.06 -8.10 H2Sg - O2(g) -7.92 -11.25 -3.33 O2 + O2(g) -37.30 -40.63 -3.33 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12661,7 +12654,7 @@ Reaction 1. ----------------------------Description of solution---------------------------- pH = 3.600 Charge balance - pe = 1.835 Adjusted to redox equilibrium + pe = 2.121 Adjusted to redox equilibrium Specific Conductance (µS/cm, 150°C) = 76 Density (g/cm³) = 0.93473 Volume (L) = 1.07956 @@ -12671,14 +12664,14 @@ Reaction 1. Total alkalinity (eq/kg) = 2.520e-01 Temperature (°C) = 150.00 Pressure (atm) = 345.17 - Electrical balance (eq) = 8.102e-16 + Electrical balance (eq) = 8.107e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 19 + Iterations = 32 Gamma iterations = 3 Osmotic coefficient = 0.99998 Density of water = 0.93543 - Total H = 1.115238e+02 - Total O = 5.550991e+01 + Total H = 1.115214e+02 + Total O = 5.550868e+01 ----------------------------Distribution of species---------------------------- @@ -12688,10 +12681,10 @@ Reaction 1. H+ 2.570e-04 2.509e-04 -3.590 -3.600 -0.010 0.00 OH- 3.806e-08 3.716e-08 -7.419 -7.430 -0.010 (0) H2O 5.551e+01 9.957e-01 1.744 -0.002 0.000 19.26 -H(0) 1.360e-14 - H2 6.799e-15 6.799e-15 -14.168 -14.168 0.000 (0) -O(0) 1.515e-35 - O2 7.575e-36 7.575e-36 -35.121 -35.121 0.000 (0) +H(0) 3.639e-15 + H2 1.819e-15 1.819e-15 -14.740 -14.740 0.000 (0) +O(0) 2.067e-34 + O2 1.034e-34 1.034e-34 -33.986 -33.986 0.000 (0) Sg 2.520e-01 H2Sg 2.251e-01 2.251e-01 -0.648 -0.648 0.000 44.86 (H2Sg)2 1.331e-02 1.331e-02 -1.876 -1.876 0.000 32.13 @@ -12701,10 +12694,10 @@ Sg 2.520e-01 Phase SI** log IAP log K(423 K, 345 atm) - H2(g) -10.87 17.56 28.43 H2 + H2(g) -11.44 -11.44 0.00 H2 H2O(g) 0.74 -0.00 -0.74 H2O H2Sg(g) 1.10 -7.20 -8.30 H2Sg - O2(g) -31.59 -35.12 -3.53 O2 + O2(g) -30.46 -33.99 -3.53 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12755,8 +12748,8 @@ Reaction 1. Gamma iterations = 3 Osmotic coefficient = 0.99999 Density of water = 0.88741 - Total H = 1.115258e+02 - Total O = 5.550991e+01 + Total H = 1.115234e+02 + Total O = 5.550868e+01 ----------------------------Distribution of species---------------------------- @@ -12768,8 +12761,8 @@ Reaction 1. H2O 5.551e+01 9.957e-01 1.744 -0.002 0.000 20.30 H(0) 3.580e-23 H2 1.790e-23 1.790e-23 -22.747 -22.747 0.000 (0) -O(0) 3.505e-11 - O2 1.753e-11 1.753e-11 -10.756 -10.756 0.000 (0) +O(0) 3.426e-11 + O2 1.713e-11 1.713e-11 -10.766 -10.766 0.000 (0) Sg 2.530e-01 H2Sg 2.298e-01 2.298e-01 -0.639 -0.639 0.000 49.21 (H2Sg)2 1.151e-02 1.151e-02 -1.939 -1.939 0.000 17.81 @@ -12779,10 +12772,10 @@ Sg 2.530e-01 Phase SI** log IAP log K(473 K, 345 atm) - H2(g) -19.39 5.38 24.77 H2 + H2(g) -19.39 -19.39 0.00 H2 H2O(g) 1.23 -0.00 -1.23 H2O H2Sg(g) 1.07 -7.53 -8.61 H2Sg - O2(g) -7.07 -10.76 -3.69 O2 + O2(g) -7.08 -10.77 -3.69 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12833,8 +12826,8 @@ Reaction 1. Gamma iterations = 3 Osmotic coefficient = 0.99999 Density of water = 0.83012 - Total H = 1.115538e+02 - Total O = 5.550991e+01 + Total H = 1.115514e+02 + Total O = 5.550868e+01 ----------------------------Distribution of species---------------------------- @@ -12846,8 +12839,8 @@ Reaction 1. H2O 5.551e+01 9.954e-01 1.744 -0.002 0.000 21.70 H(0) 1.308e-20 H2 6.538e-21 6.538e-21 -20.185 -20.185 0.000 (0) -O(0) 1.598e-10 - O2 7.989e-11 7.989e-11 -10.098 -10.098 0.000 (0) +O(0) 1.561e-10 + O2 7.806e-11 7.806e-11 -10.108 -10.108 0.000 (0) Sg 2.670e-01 H2Sg 2.465e-01 2.465e-01 -0.608 -0.608 0.000 56.98 (H2Sg)2 1.017e-02 1.017e-02 -1.993 -1.993 0.000 -13.09 @@ -12857,10 +12850,10 @@ Sg 2.670e-01 Phase SI** log IAP log K(523 K, 345 atm) - H2(g) -16.79 5.05 21.83 H2 + H2(g) -16.79 -16.79 0.00 H2 H2O(g) 1.60 -0.00 -1.60 H2O H2Sg(g) 1.01 -7.96 -8.97 H2Sg - O2(g) -6.28 -10.10 -3.81 O2 + O2(g) -6.29 -10.11 -3.81 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -12911,8 +12904,8 @@ Reaction 1. Gamma iterations = 3 Osmotic coefficient = 1.00000 Density of water = 0.75721 - Total H = 1.115378e+02 - Total O = 5.550991e+01 + Total H = 1.115354e+02 + Total O = 5.550868e+01 ----------------------------Distribution of species---------------------------- @@ -12924,8 +12917,8 @@ Reaction 1. H2O 5.551e+01 9.955e-01 1.744 -0.002 0.000 23.79 H(0) 3.269e-18 H2 1.635e-18 1.635e-18 -17.787 -17.787 0.000 (0) -O(0) 1.615e-10 - O2 8.074e-11 8.074e-11 -10.093 -10.093 0.000 (0) +O(0) 1.578e-10 + O2 7.889e-11 7.889e-11 -10.103 -10.103 0.000 (0) Sg 2.590e-01 H2Sg 2.389e-01 2.389e-01 -0.622 -0.622 0.000 76.35 (H2Sg)2 1.003e-02 1.003e-02 -1.999 -1.999 0.000 -95.59 @@ -12935,10 +12928,10 @@ Sg 2.590e-01 Phase SI** log IAP log K(573 K, 345 atm) - H2(g) -14.35 5.04 19.40 H2 + H2(g) -14.35 -14.35 0.00 H2 H2O(g) 1.88 -0.00 -1.88 H2O H2Sg(g) 0.89 -8.43 -9.33 H2Sg - O2(g) -6.17 -10.09 -3.92 O2 + O2(g) -6.18 -10.10 -3.92 O2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. diff --git a/mytest/H2S_sit_101.sel b/mytest/H2S_sit_101.sel index 3aa34e60a..506b3e394 100644 --- a/mytest/H2S_sit_101.sel +++ b/mytest/H2S_sit_101.sel @@ -1,161 +1,161 @@ Mu SC - 0.000000100035 0.0000000000 + 0.000000100037 0.0000000000 0.000829856395 52.7217494649 - 0.000098776266 3.1636908417 - 0.000101019436 3.8180760070 - 0.000102963282 4.5235210264 - 0.000104584344 5.2740028039 - 0.000105857470 6.0622067557 - 0.000106755201 6.8793199923 - 0.000107247073 7.7147945634 - 0.000107298813 8.5560749457 - 0.000106871364 9.3882777288 - 0.000104390929 10.9518300208 - 0.000099337470 12.2217472434 - 0.000091005698 12.9325741502 - 0.000078154138 12.6639397414 - 0.000057819550 10.5666972740 - 0.000045590961 8.7196310826 - 0.000529309697 37.7041439579 - 0.000551785049 67.0338018895 - 0.000525624211 94.5355650416 - 0.000460621597 112.0576450984 - 0.000369317623 114.1733448263 - 0.000263594413 99.0873527717 - 0.000149468513 66.2022780349 - 0.000479497047 34.1864802532 - 0.000659899227 79.9457744981 - 0.000644625201 115.4947171752 - 0.000578050282 139.9688519655 - 0.000478788977 147.2113877763 - 0.000364174574 136.0355032771 - 0.000247729786 108.9903144458 - 0.000135135653 68.3767942738 - 0.000489321635 34.8830423678 - 0.000645942185 78.0755115397 - 0.000739122408 131.6637841590 - 0.000731755007 175.7091674501 - 0.000635970836 193.5685653091 - 0.000511535850 188.8346565707 - 0.000382321565 165.9099427318 - 0.000263244138 131.4584106593 - 0.000161177030 91.1336196163 - 0.000086672419 52.0005065079 - 0.000498897924 35.5592994361 - 0.000660406991 79.6049127268 - 0.000760815433 134.9189577969 - 0.000777880361 185.6216854642 - 0.000712166457 215.0153168288 - 0.000594230022 217.2472865907 - 0.000461605417 198.0322597105 - 0.000336264843 165.6571840275 - 0.000229745198 128.1647682098 - 0.000146083818 91.0068468496 - 0.000508314676 36.2213537430 - 0.000674323917 81.0591403388 - 0.000780531321 137.8028087189 - 0.000805611986 191.1173611580 - 0.000753012581 225.7029015043 - 0.000645669985 233.9991440488 - 0.000515338749 218.7972128212 - 0.000387779335 188.6623496315 - 0.000278153317 152.8926664705 - 0.000193968306 119.4458872909 - 0.000517568853 36.8688496727 - 0.000687790684 82.4511009349 - 0.000799035297 140.4551131815 - 0.000829844691 195.7469773739 - 0.000783718367 233.2820307541 - 0.000682453183 245.3031185694 - 0.000555057901 233.3800208454 - 0.000427190321 205.4291276116 - 0.000315947886 171.2337645007 - 0.000231302857 140.2094237983 - 0.000526724027 37.5061106991 - 0.000700959096 83.7982996355 - 0.000816773181 142.9533505559 - 0.000852291825 199.9175632409 - 0.000810625178 239.6619224736 - 0.000712973059 254.2425480474 - 0.000587492777 244.7279942243 - 0.000535763048 38.1318326234 - 0.000713842102 85.1033647017 - 0.000833880287 145.3247813422 - 0.000873488953 203.7638841277 - 0.000835313186 245.3309198151 - 0.000740131243 261.8953038383 - 0.000544738339 38.7495449339 - 0.000726540041 86.3774469277 - 0.000850557965 147.6028867773 - 0.000893852133 207.3819197518 - 0.000858604373 250.5337327157 - 0.000765276272 268.7518199284 - 0.000553626240 39.3575289840 - 0.000739037647 87.6197824524 - 0.000866829133 149.7948335190 - 0.000913499432 210.8061235497 - 0.000880790095 255.3688467019 - 0.000788919509 275.0141697015 - 0.000562473257 39.9588824720 - 0.000751413813 88.8388300508 - 0.000882825608 151.9214749611 - 0.000932644655 214.0834233383 - 0.000902196753 259.9298418257 - 0.000811509450 280.8414356211 - 0.000571252275 40.5516839461 - 0.000763640862 90.0323649494 - 0.000898532211 153.9832526530 - 0.000951305201 217.2240973743 - 0.000922894794 264.2478670075 - 0.000833177511 286.2954938101 - 0.000579988612 41.1375799011 - 0.000775762212 91.2050742115 - 0.000914020189 155.9916278597 - 0.000969590728 220.2525454638 - 0.000943039458 268.3678443197 - 0.000854122102 291.4473209579 + 0.000098776266 3.1636908413 + 0.000101019436 3.8180760073 + 0.000102963282 4.5235210265 + 0.000104584344 5.2740028083 + 0.000105857470 6.0622067556 + 0.000106755201 6.8793199812 + 0.000107247073 7.7147945632 + 0.000107298813 8.5560749371 + 0.000106871364 9.3882777282 + 0.000104390929 10.9518300197 + 0.000099337471 12.2217473596 + 0.000091005698 12.9325741593 + 0.000078154138 12.6639396741 + 0.000057819551 10.5666973319 + 0.000045590961 8.7196309949 + 0.000529309697 37.7041439571 + 0.000551785049 67.0338018890 + 0.000525624211 94.5355650109 + 0.000460621596 112.0576449025 + 0.000369317625 114.1733452193 + 0.000263594418 99.0873530052 + 0.000149468522 66.2022743520 + 0.000479497047 34.1864802580 + 0.000659899227 79.9457744976 + 0.000644625201 115.4947171745 + 0.000578050283 139.9688523101 + 0.000478788978 147.2113877177 + 0.000364174578 136.0355036819 + 0.000247729791 108.9903122643 + 0.000135135674 68.3767840139 + 0.000489321635 34.8830423665 + 0.000645942184 78.0755114850 + 0.000739122408 131.6637841830 + 0.000731755007 175.7091674330 + 0.000635970836 193.5685652432 + 0.000511535851 188.8346564162 + 0.000382321569 165.9099413027 + 0.000263244152 131.4584069451 + 0.000161177069 91.1336004677 + 0.000086672541 52.0004404520 + 0.000498897924 35.5592994279 + 0.000660406991 79.6049127298 + 0.000760815433 134.9189578000 + 0.000777880361 185.6216854239 + 0.000712166457 215.0153168129 + 0.000594230023 217.2472862291 + 0.000461605420 198.0322587078 + 0.000336264852 165.6571801362 + 0.000229745224 128.1647540136 + 0.000146083897 91.0067989315 + 0.000508314676 36.2213537429 + 0.000674323917 81.0591403450 + 0.000780531320 137.8028085646 + 0.000805611986 191.1173611418 + 0.000753012582 225.7029016060 + 0.000645669989 233.9991450623 + 0.000515338752 218.7972119913 + 0.000387779336 188.6623426571 + 0.000278153338 152.8926547613 + 0.000193968374 119.4458565031 + 0.000517568853 36.8688496726 + 0.000687790684 82.4511009397 + 0.000799035297 140.4551131784 + 0.000829844691 195.7469773525 + 0.000783718370 233.2820313826 + 0.000682453179 245.3031168496 + 0.000555057903 233.3800199666 + 0.000427190333 205.4291269038 + 0.000315947902 171.2337531156 + 0.000231302907 140.2093941510 + 0.000526724027 37.5061106975 + 0.000700959096 83.7982996278 + 0.000816773181 142.9533505528 + 0.000852291825 199.9175630185 + 0.000810625178 239.6619224275 + 0.000712973061 254.2425479258 + 0.000587492777 244.7279923385 + 0.000535763048 38.1318326098 + 0.000713842102 85.1033647012 + 0.000833880287 145.3247813250 + 0.000873488953 203.7638841143 + 0.000835313186 245.3309199666 + 0.000740131244 261.8953035753 + 0.000544738339 38.7495449336 + 0.000726540041 86.3774469264 + 0.000850557965 147.6028867748 + 0.000893852134 207.3819197511 + 0.000858604370 250.5337315656 + 0.000765276272 268.7518196705 + 0.000553626240 39.3575289839 + 0.000739037647 87.6197824555 + 0.000866829133 149.7948335159 + 0.000913499434 210.8061239677 + 0.000880790095 255.3688466918 + 0.000788919510 275.0141694715 + 0.000562473257 39.9588824705 + 0.000751413813 88.8388300504 + 0.000882825608 151.9214749578 + 0.000932644655 214.0834232711 + 0.000902196754 259.9298417314 + 0.000811509449 280.8414350152 + 0.000571252275 40.5516839464 + 0.000763640862 90.0323649558 + 0.000898532211 153.9832526519 + 0.000951305200 217.2240970790 + 0.000922894794 264.2478669376 + 0.000833177513 286.2954940503 + 0.000579988612 41.1375799010 + 0.000775762212 91.2050741983 + 0.000914020189 155.9916278588 + 0.000969590728 220.2525453857 + 0.000943039458 268.3678442514 + 0.000854122103 291.4473207136 0.000588706181 41.7180874935 - 0.000787817279 92.3610888934 - 0.000929351232 157.9562536283 - 0.000987591555 223.1883337785 - 0.000962752717 272.3241617114 - 0.000597375146 42.2911452578 - 0.000799769958 93.4972434155 - 0.000944488452 159.8739148137 - 0.001005277743 226.0306107749 - 0.000982018349 276.1214494810 - 0.000606035458 42.8593162824 - 0.000811679575 94.6194316835 - 0.000959514199 161.7564068157 - 0.001022755906 228.8000374692 - 0.001000965041 279.7916757652 - 0.000614656256 43.4204934309 - 0.000823507208 95.7242054438 - 0.000974385224 163.5995642474 - 0.001039983972 231.4930993398 - 0.001019557000 283.3335266148 + 0.000787817279 92.3610888929 + 0.000929351232 157.9562535826 + 0.000987591554 223.1883336784 + 0.000962752717 272.3241616446 + 0.000597375146 42.2911452575 + 0.000799769958 93.4972434045 + 0.000944488452 159.8739148756 + 0.001005277743 226.0306107588 + 0.000982018350 276.1214494143 + 0.000606035458 42.8593162823 + 0.000811679575 94.6194316127 + 0.000959514201 161.7564070242 + 0.001022755906 228.8000374531 + 0.001000965041 279.7916757026 + 0.000614656256 43.4204934308 + 0.000823507209 95.7242055116 + 0.000974385224 163.5995642544 + 0.001039983972 231.4930993073 + 0.001019557000 283.3335265784 0.000631863880 44.5270199602 - 0.000847044046 97.8941936185 - 0.001003842162 167.1948208077 - 0.001073923230 236.6981107690 - 0.001055959339 290.1050793383 - 0.000649044623 45.6129937652 - 0.000870434110 100.0134161153 - 0.001032956609 170.6806450574 - 0.001107249379 241.6905652968 - 0.001091440130 296.5090903913 - 0.000163749789 10.5330977884 - 0.000177247793 11.4232309490 - 0.000238929320 24.7769493624 - 0.000289691129 57.4726729818 - 0.000245762367 74.5374756012 - 0.000165634157 67.7381967611 - 0.000099463676 50.2522632637 - 0.000060495531 32.3871243191 - 0.000182195685 11.7509030004 - 0.000247439892 25.5049900071 - 0.000300706628 58.8391777473 - 0.000257039090 76.4585316400 - 0.000175012189 69.8155134836 - 0.000107745651 52.7433007390 - 0.000066658688 34.6810417687 + 0.000847044046 97.8941936194 + 0.001003842162 167.1948208091 + 0.001073923230 236.6981108554 + 0.001055959338 290.1050791042 + 0.000649044623 45.6129937634 + 0.000870434110 100.0134161262 + 0.001032956609 170.6806449583 + 0.001107249379 241.6905652282 + 0.001091440130 296.5090903642 + 0.000163749789 10.5330977883 + 0.000177247793 11.4232309489 + 0.000238929320 24.7769493618 + 0.000289691129 57.4726729665 + 0.000245762367 74.5374753715 + 0.000165634163 67.7381943082 + 0.000099463715 50.2522439119 + 0.000060495727 32.3870209405 + 0.000182195685 11.7509030003 + 0.000247439892 25.5049900065 + 0.000300706628 58.8391777314 + 0.000257039091 76.4585314063 + 0.000175012196 69.8155110389 + 0.000107745689 52.7432821091 + 0.000066658879 34.6809438423 diff --git a/mytest/MassWater b/mytest/MassWater index e72b24ac1..49600e036 100644 --- a/mytest/MassWater +++ b/mytest/MassWater @@ -10,5 +10,5 @@ USER_PUNCH 101 SOLUTION_SPREAD -units mg/l Cl S(6) Ca K Mg Na Cu(2) pH Water 13C - mg/l mg/l mg/l mg/l mg/l mg/l mg/l + mg/l mg/l as SO4 mg/l mg/l mg/l mg/l mg/l 13331.20 10192.33 846.67 549.13 5436.00 5765.33 169.93 4.890 0.02894 0.02 diff --git a/mytest/MassWater.out b/mytest/MassWater.out index 2b9f80a70..c833244be 100644 --- a/mytest/MassWater.out +++ b/mytest/MassWater.out @@ -1,4 +1,3 @@ -WARNING: Database file from DATABASE keyword is used; command line argument ignored. Input file: MassWater Output file: MassWater.out Database file: ../database/sit.dat @@ -27,7 +26,7 @@ Reading input data for simulation 1. SOLUTION_SPREAD units mg/l Cl S(6) Ca K Mg Na Cu(2) pH Water 13C - mg/l mg/l mg/l mg/l mg/l mg/l mg/l + mg/l mg/l as SO4 mg/l mg/l mg/l mg/l mg/l 13331.20 10192.33 846.67 549.13 5436.00 5765.33 169.93 4.890 0.02894 0.02 ------------------------------------------- Beginning of initial solution calculations. @@ -52,103 +51,124 @@ Initial solution 1. pH = 4.890 pe = 4.000 Activity of water = 0.985 - Ionic strength (mol/kgw) = 8.024e-01 + Ionic strength (mol/kgw) = 7.997e-01 Mass of water (kg) = 2.894e-02 - Total alkalinity (eq/kg) = -3.621e-05 + Total alkalinity (eq/kg) = -3.486e-05 Temperature (°C) = 25.00 Electrical balance (eq) = 5.151e-03 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 15.68 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 15.72 Iterations = 23 Gamma iterations = 6 - Osmotic coefficient = 0.87494 - Total H = 3.212915e+00 - Total O = 1.619202e+00 + Osmotic coefficient = 0.87527 + Total H = 3.212844e+00 + Total O = 1.619166e+00 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 1.826e-05 1.288e-05 -4.739 -4.890 -0.151 0.00 - OH- 1.169e-09 7.647e-10 -8.932 -9.117 -0.185 (0) + H+ 1.825e-05 1.288e-05 -4.739 -4.890 -0.151 0.00 + OH- 1.169e-09 7.647e-10 -8.932 -9.117 -0.184 (0) H2O 5.551e+01 9.851e-01 1.744 -0.007 0.000 18.07 Ca 2.192e-02 - Ca+2 1.635e-02 3.052e-03 -1.786 -2.515 -0.729 (0) - Ca(SO4) 5.570e-03 5.570e-03 -2.254 -2.254 0.000 (0) - Ca(OH)+ 6.068e-11 3.873e-11 -10.217 -10.412 -0.195 (0) + Ca+2 1.637e-02 3.059e-03 -1.786 -2.514 -0.728 (0) + Ca(SO4) 5.553e-03 5.553e-03 -2.255 -2.255 0.000 (0) + Ca(OH)+ 6.079e-11 3.881e-11 -10.216 -10.411 -0.195 (0) Cl 3.902e-01 - Cl- 3.628e-01 2.541e-01 -0.440 -0.595 -0.155 (0) - MgCl+ 2.740e-02 1.749e-02 -1.562 -1.757 -0.195 (0) - HCl 6.383e-07 6.383e-07 -6.195 -6.195 0.000 (0) - Cl2 0.000e+00 0.000e+00 -40.400 -40.400 0.000 (0) - ClO4- 0.000e+00 0.000e+00 -117.456 -117.591 -0.135 (0) + Cl- 3.621e-01 2.537e-01 -0.441 -0.596 -0.155 (0) + MgCl+ 2.740e-02 1.750e-02 -1.562 -1.757 -0.195 (0) + CuCl+ 5.100e-04 3.257e-04 -3.292 -3.487 -0.195 (0) + CuCl2 7.536e-05 7.536e-05 -4.123 -4.123 0.000 (0) + CuCl3- 3.947e-07 2.520e-07 -6.404 -6.599 -0.195 (0) + CuCl4-2 7.907e-10 1.276e-10 -9.102 -9.894 -0.792 (0) + Cl2 0.000e+00 0.000e+00 -40.401 -40.401 0.000 (0) + ClO4- 0.000e+00 0.000e+00 -117.157 -117.292 -0.135 (0) Cu(2) 2.775e-03 - Cu+2 2.775e-03 4.926e-04 -2.557 -3.307 -0.751 (0) + Cu+2 1.654e-03 2.941e-04 -2.781 -3.532 -0.750 (0) + CuSO4 5.339e-04 5.339e-04 -3.273 -3.273 0.000 (0) + CuCl+ 5.100e-04 3.257e-04 -3.292 -3.487 -0.195 (0) + CuCl2 7.536e-05 7.536e-05 -4.123 -4.123 0.000 (0) + CuCl3- 3.947e-07 2.520e-07 -6.404 -6.599 -0.195 (0) + Cu(OH)+ 3.773e-07 2.410e-07 -6.423 -6.618 -0.195 (0) + Cu2(OH)2+2 8.571e-08 1.425e-08 -7.067 -7.846 -0.779 (0) + Cu2(OH)+3 7.304e-08 1.289e-09 -7.136 -8.890 -1.753 (0) + CuCl4-2 7.907e-10 1.276e-10 -9.102 -9.894 -0.792 (0) + Cu(OH)2 1.013e-10 1.013e-10 -9.995 -9.995 0.000 (0) + Cu3(OH)4+2 6.004e-12 9.983e-13 -11.222 -12.001 -0.779 (0) + Cu(OH)3- 4.827e-16 3.083e-16 -15.316 -15.511 -0.195 (0) + Cu(OH)4-2 1.005e-23 1.872e-24 -22.998 -23.728 -0.730 (0) H(0) 2.761e-21 - H2 1.381e-21 1.381e-21 -20.860 -20.860 0.000 (0) + H2 1.380e-21 1.380e-21 -20.860 -20.860 0.000 (0) K 1.457e-02 - K+ 1.457e-02 9.303e-03 -1.836 -2.031 -0.195 (0) + K+ 1.457e-02 9.306e-03 -1.836 -2.031 -0.195 (0) Mg 2.321e-01 - Mg+2 1.580e-01 3.075e-02 -0.801 -1.512 -0.711 (0) - Mg(SO4) 4.667e-02 4.667e-02 -1.331 -1.331 0.000 (0) - MgCl+ 2.740e-02 1.749e-02 -1.562 -1.757 -0.195 (0) - Mg(OH)+ 7.696e-09 4.913e-09 -8.114 -8.309 -0.195 (0) - Mg4(OH)4+4 7.150e-24 5.436e-27 -23.146 -26.265 -3.119 (0) + Mg+2 1.582e-01 3.081e-02 -0.801 -1.511 -0.710 (0) + Mg(SO4) 4.652e-02 4.652e-02 -1.332 -1.332 0.000 (0) + MgCl+ 2.740e-02 1.750e-02 -1.562 -1.757 -0.195 (0) + Mg(OH)+ 7.709e-09 4.922e-09 -8.113 -8.308 -0.195 (0) + Mg4(OH)4+4 7.169e-24 5.479e-27 -23.145 -26.261 -3.117 (0) Na 2.602e-01 - Na+ 2.602e-01 1.676e-01 -0.585 -0.776 -0.191 (0) + Na+ 2.602e-01 1.677e-01 -0.585 -0.775 -0.191 (0) O(0) 0.000e+00 - Cl2 0.000e+00 0.000e+00 -40.400 -40.400 0.000 (0) - HSO5- 0.000e+00 0.000e+00 -49.180 -49.375 -0.195 (0) - O2 0.000e+00 0.000e+00 -50.433 -50.433 0.000 (0) - S2O8-2 0.000e+00 0.000e+00 -60.698 -61.477 -0.780 (0) - ClO4- 0.000e+00 0.000e+00 -117.456 -117.591 -0.135 (0) + O2 0.000e+00 0.000e+00 -50.443 -50.443 0.000 (0) S(6) 1.101e-01 - SO4-2 5.784e-02 8.938e-03 -1.238 -2.049 -0.811 (0) - Mg(SO4) 4.667e-02 4.667e-02 -1.331 -1.331 0.000 (0) - Ca(SO4) 5.570e-03 5.570e-03 -2.254 -2.254 0.000 (0) - H(SO4)- 1.733e-05 1.100e-05 -4.761 -4.959 -0.198 (0) - HSO5- 0.000e+00 0.000e+00 -49.180 -49.375 -0.195 (0) - S2O8-2 0.000e+00 0.000e+00 -60.698 -61.477 -0.780 (0) + SO4-2 5.747e-02 8.892e-03 -1.241 -2.051 -0.810 (0) + Mg(SO4) 4.652e-02 4.652e-02 -1.332 -1.332 0.000 (0) + Ca(SO4) 5.553e-03 5.553e-03 -2.255 -2.255 0.000 (0) + CuSO4 5.339e-04 5.339e-04 -3.273 -3.273 0.000 (0) + H(SO4)- 1.723e-05 1.094e-05 -4.764 -4.961 -0.197 (0) + HSO5- 0.000e+00 0.000e+00 -49.183 -49.378 -0.195 (0) + S2O8-2 0.000e+00 0.000e+00 -60.703 -61.482 -0.779 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - Anhydrite -0.12 -4.56 -4.44 Ca(SO4) + Anhydrite -0.13 -4.57 -4.44 Ca(SO4) Antarcticite -7.68 -3.74 3.94 CaCl2:6H2O + Antlerite -2.02 6.89 8.91 Cu3SO4(OH)4 Arcanite -4.26 -6.11 -1.85 K2SO4 Bassanite -0.65 -4.57 -3.92 CaSO4:0.5H2O Bischofite -7.20 -2.74 4.46 MgCl2:6H2O Bloedite -4.84 -7.19 -2.35 Na2Mg(SO4)2:4H2O - Brucite -8.85 8.25 17.10 Mg(OH)2 - Ca(s) -107.37 32.47 139.84 Ca + Brochantite -2.42 13.12 15.54 Cu4SO4(OH)6 + Brucite -8.84 8.26 17.10 Mg(OH)2 + Ca(cr) -107.36 -10.51 96.85 Ca Ca2Cl2(OH)2:H2O(s) -22.99 3.54 26.53 Ca2Cl2(OH)2:H2O - Ca4Cl2(OH)6:13H2O(s) -50.77 17.96 68.73 Ca4Cl2(OH)6:13H2O + Ca4Cl2(OH)6:13H2O(s) -50.76 17.97 68.73 Ca4Cl2(OH)6:13H2O CaCl2:2H2O(cr) -11.67 -3.72 7.95 CaCl2:2H2O CaCl2:4H2O(cr) -9.08 -3.73 5.35 CaCl2:4H2O CaCl2:H2O(s) -11.56 -3.71 7.85 CaCl2:H2O CaO(cr) -25.44 7.26 32.70 CaO Carnallite -9.70 -5.37 4.33 KMgCl3:6H2O - Cl2(g) -39.17 -36.18 2.99 Cl2 - Cu(cr) 0.08 31.68 31.60 Cu + Chalcanthite -2.93 -5.62 -2.69 CuSO4:5H2O + Chalcocyanite -8.52 -5.58 2.94 CuSO4 + Cl2(g) -39.17 6.81 45.98 Cl2 + Cu(cr) -0.14 -11.53 -11.39 Cu + Cu(OH)2(s) -2.40 6.24 8.64 Cu(OH)2 + Cu2Cl(OH)3(am) -0.47 6.99 7.46 Cu2Cl(OH)3 + Cu2Cl(OH)3(s) 0.09 6.99 6.90 Cu2Cl(OH)3 + CuO(s) -1.39 6.24 7.63 CuO Epsonite -1.73 -3.61 -1.88 Mg(SO4):7H2O - Glaserite -14.32 -21.93 -7.61 Na2K6(SO4)4 - Glauberite -10.13 -8.16 1.97 Na2Ca(SO4)2 + Glaserite -14.33 -21.94 -7.61 Na2K6(SO4)4 + Glauberite -10.14 -8.17 1.97 Na2Ca(SO4)2 Gypsum 0.03 -4.58 -4.61 CaSO4:2H2O - H2(g) -17.78 25.21 42.99 H2 - H2O(g) -1.51 -0.01 1.50 H2O + H2(g) -17.78 -17.78 0.00 H2 + H2O(g) -1.50 -43.00 -41.50 H2O Halite -2.96 -1.37 1.59 NaCl - HCl(g) -11.77 -5.48 6.29 HCl + HCl(g) -11.78 -5.49 6.29 HCl Hexahydrite -1.96 -3.60 -1.64 Mg(SO4):6H2O Hydrophilite -15.48 -3.71 11.77 CaCl2 - K(cr) -55.52 15.46 70.99 K + K(cr) -55.52 -6.03 49.49 K K(OH)(s) -21.75 2.85 24.60 K(OH) K2O(s) -78.40 5.71 84.11 K2O Kainite -6.02 -6.21 -0.19 KMgCl(SO4):3H2O + Langite -4.37 13.12 17.49 Cu4SO4(OH)6:H2O Leonhardtite -2.70 -3.59 -0.89 MgSO4:4H2O Leonite -5.72 -9.70 -3.98 K2Mg(SO4)2:4H2O Mercallite -7.57 -8.97 -1.40 KHSO4 - Mg(cr) -89.29 33.48 122.77 Mg + Mg(cr) -89.29 -9.51 79.78 Mg Mg(SO4)(s) -12.66 -3.56 9.10 Mg(SO4) Mg(SO4):H2O(s) -3.45 -3.57 -0.12 Mg(SO4):H2O Mg-oxychlorur -15.02 11.01 26.03 Mg2Cl(OH)3:4H2O @@ -157,18 +177,18 @@ S(6) 1.101e-01 MgCl2:4H2O(s) -10.17 -2.73 7.44 MgCl2:4H2O MgCl2:H2O(s) -18.93 -2.71 16.22 MgCl2:H2O Mirabilite -2.44 -3.67 -1.23 Na2SO4:10H2O - Na(cr) -50.67 16.72 67.38 Na + Na(cr) -50.67 -4.78 45.89 Na Na2O(cr) -59.24 8.22 67.46 Na2O - O2(g) -47.53 -50.43 -2.90 O2 + O2(g) -47.54 -50.44 -2.90 O2 Pentahydrite -2.31 -3.59 -1.28 MgSO4:5H2O Periclase -13.32 8.26 21.58 MgO Picromerite -5.38 -9.71 -4.33 K2Mg(SO4)2:6H2O - Polyhalite -5.07 -18.81 -13.74 K2MgCa2(SO4)4:2H2O + Polyhalite -5.08 -18.82 -13.74 K2MgCa2(SO4)4:2H2O Portlandite -15.56 7.25 22.81 Ca(OH)2 Sylvite -3.50 -2.63 0.87 KCl - Syngenite -3.26 -10.71 -7.45 K2Ca(SO4)2:6H2O + Syngenite -3.27 -10.72 -7.45 K2Ca(SO4)2:6H2O Tachyhydrite -26.57 -9.19 17.38 Mg2CaCl6:12H2O - Thernardite -3.24 -3.60 -0.36 Na2SO4 + Thenardite -3.24 -3.60 -0.36 Na2SO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. diff --git a/mytest/MassWater_101.sel b/mytest/MassWater_101.sel index 2173247e8..cfe9ac333 100644 --- a/mytest/MassWater_101.sel +++ b/mytest/MassWater_101.sel @@ -1,2 +1,2 @@ Mu SC - 0.802440491076 0.0000000000 + 0.799714270910 0.0000000000 diff --git a/mytest/albite_rates b/mytest/albite_rates deleted file mode 100644 index cfb4d5a97..000000000 --- a/mytest/albite_rates +++ /dev/null @@ -1,316 +0,0 @@ -DATABASE ../database/phreeqc_rates.dat -SELECTED_OUTPUT 101 - -file albite_rates_101.sel -USER_PUNCH 101 - -headings Mu SC - -start -10 PUNCH STR_F$(MU, 20, 12) -20 PUNCH STR_F$(SC, 20, 10) - -end -END -# Example input files for KINETICS calculations -# -# compare Albite kinetics using rates from the compilations -# ========================================================= - -KINETICS 1 -Albite_PK --formula NaAlSi3O8; -parms 0 1 1 0.67 --m0 1; -time 1 # default -END - -SOLUTION 1 -PHASES - Fix_pH; H+ = H+ - LiBr; LiBr = Li+ + Br-; -log_k -20 # (very) unsoluble phase with base cation and acid anion, permits to use HBr or LiOH as reactant -SELECTED_OUTPUT 1 - -file albite_rates.inc - -reset false -USER_PUNCH 1 # write out the pH's to equilibrate... - 10 FOR i = 0 to 14 STEP 0.5 - 20 punch EOL$ + 'USE solution 1' - 30 punch EOL$ + 'EQUILIBRIUM_PHASES 1' - 40 punch EOL$ + ' LiBr' - 50 punch EOL$ + ' Fix_pH ' + TRIM(STR$(-i)) + ' LiOH 10' # ...or HBr as reactant - 60 punch EOL$ + 'USE kinetics 1' - 70 punch EOL$ + 'END' - 80 NEXT i -END - -PRINT; -reset false -SELECTED_OUTPUT 1; -active false -USER_GRAPH 1; -headings pH Palandri --axis_titles pH "log10(initial rate / (mol / m2 / s))" --axis_scale x_axis 0 14 -10 graph_x -la("H+") -20 graph_sy log10(tot("Al")) -INCLUDE$ albite_rates.inc -END - -KINETICS 1 -Albite_Svd --formula NaAlSi3O8; -parms 0 1 20 0.67 # roughness = 20 -USER_GRAPH 1; -headings pH Sverdup*20 -INCLUDE$ albite_rates.inc -END - -KINETICS 1 -Albite --formula NaAlSi3O8; -parms 1 20 # roughness = 20 -USER_GRAPH 1; -headings pH Sverdup`95*20 -INCLUDE$ albite_rates.inc -END - -KINETICS 1 -Albite_Hermanska --formula NaAlSi3O8; -parms 0 1 1 0.67 -USER_GRAPH 1; -headings pH Hermanska -INCLUDE$ albite_rates.inc -END - -USE solution 1 -REACTION_TEMPERATURE 1; 25 25 in 21 -USER_GRAPH 1; -headings Albite_data -10 data 1.1, 2.05, 2.45, 2.9, 3, 3.5, 4.1, 5.1, 5.35, 5.47, 5.63, 5.63, 5.73, 7.73, 9.95, 9.95, 9.95, 10.6, 11.2, 11.55, 12.3 -20 data -10.25, -10.55, -10.82, -11.25, -11.1, -11.4, -11.47, -11.82, -11.75, -11.65, -11.83, -11.92, -11.92, -11.83, -10.97, -11.05, -11.13, -10.95, -10.55, -10.6, -10.38 # Chou, L., Wollast, R., 1985. Steady-state kinetics and dissolution mechanisms of albite. Am. J. Sci. 285, 963–993. -30 restore 10 : dim ph(21) : for i = 1 to step_no : read ph(i) : next i -40 restore 20 : dim lk(21) : for i = 1 to step_no : read lk(i) : next i -50 i = step_no : plot_xy ph(i), lk(i), line_width = 0, color = Black, y_axis = 2, symbol_size = 10, symbol = Circle -END - -compare rates for calcite dissolution -===================================== - -USER_GRAPH 1; -active false - -SOLUTION 1 -pH 7 charge; C(4) 1 CO2(g) -2.5 -KINETICS 1 -calcite_PK --formula CaCO3; -parms 0 1e-2 1 0.67 --time 0.1 10*1 hour -INCREMENTAL_REACTIONS true -USER_GRAPH 2; -headings h Palandri_SI(CO2_g).=.-2.5 --axis_titles "time / hours" "Calcite dissolved / (mmol/kgw)" -10 graph_x total_time / 3600 : graph_sy tot("Ca") * 1e3 -END - -USE solution 1 -KINETICS 1 -Calcite --parms 1e2 0.67 # cm^2/mol calcite, exp factor --time 0.1 10*1 hour -USER_GRAPH 2; -headings h Plummer.Wigley.Parkhurst -END - -SOLUTION 1 -pH 7 charge; C(4) 1 CO2(g) -1.5 -KINETICS 1 -calcite_PK --formula CaCO3 --parms 0 1e-2 1 0.67 --time 0.1 10*1 hour -USER_GRAPH 2; -headings h Palandri_SI(CO2_g).=.-1.5 -END - -USE solution 1 -KINETICS 1 -Calcite --parms 1e2 0.67 --time 0.1 10*1 hour -USER_GRAPH 2; -headings h Plummer.Wigley.Parkhurst -END - -compare rates for quartz dissolution -===================================== - -USER_GRAPH 2; -active false -SOLUTION 1 -pH 7 charge -KINETICS 1 -Quartz_PK --formula SiO2 --parms 0 6 1 0.67 --time 0.1 10*1 year -INCREMENTAL_REACTIONS true -USER_GRAPH 3; -headings h Palandri --axis_titles "time / years" "Quartz dissolved / (mmol/kgw)" -10 graph_x total_time / 3.15e7 : graph_sy tot("Si") * 1e3 -END - -USE solution 1 -KINETICS 1 -Quartz_Hermanska --formula SiO2 --parms 0 6 1 0.67 --time 0.1 10*1 year -USER_GRAPH 3 --headings H Hermanska -END - -USE solution 1 -KINETICS 1 -Quartz_Svd --formula SiO2 --parms 0 6 1 0.67 --time 0.1 10*1 year -USER_GRAPH 3 --headings H Sverdup -END - -USE solution 1 -KINETICS 1 -Quartz_Rimstidt_Barnes --formula SiO2 --parms 0 6 1 0.67 --time 0.1 10*1 year -USER_GRAPH 3 --headings H Rimstidt.et.al -END - -SOLUTION 1 -pH 7 charge; Na 30; Cl 30 -KINETICS 1 -Quartz_Svd --formula SiO2 --parms 0 6 1 0.67 --time 0.1 10*1 year -USER_GRAPH 3 --headings H Sverdup_NaCl -END - -USE solution 1 -KINETICS 1 -Quartz_Rimstidt_Barnes --formula SiO2 --parms 0 6 1 0.67 --time 0.1 10*1 year -USER_GRAPH 3 --headings H Rimstidt.et.al._NaCl -END - -Example input file for calculating montmorillonite dissolution -============================================================== - -USER_GRAPH 3; -active false - -EXCHANGE_MASTER_SPECIES -X_montm_mg X_montm_mg-0.34 -EXCHANGE_SPECIES -# The Gapon formulation is easiest... - X_montm_mg-0.34 = X_montm_mg-0.34 -0.34 Na+ + X_montm_mg-0.34 = Na0.34X_montm_mg; log_k -3.411 # 0 # -0.34 K+ + X_montm_mg-0.34 = K0.34X_montm_mg; log_k -2.830 # 0.581 # -0.17 Mg+2 + X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -3.708 # -0.297 # -0.17 Ca+2 + X_montm_mg-0.34 = Ca0.17X_montm_mg; log_k -4.222 # -0.811 # - -# # The divalent cations have rather low log_k, cf. A&P, p.254, log_k Ca0.5X ~ log_k KX -# # uncomment the following lines to see the effect... -# 0.17 Mg+2 + X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -2.73 -# 0.17 Ca+2 + X_montm_mg-0.34 = Ca0.17X_montm_mg; log_k -2.83 -# # also adapt the log_k`s of the solids... -# PHASES -# Montmorillonite(MgMg) -# Mg0.17Mg0.34Al1.66Si4O10(OH)2 + 6H+ + 4H2O = 1.660Al+3 + 0.510Mg+2 + 4H4SiO4 - # log_k 2.73 -# Montmorillonite(MgCa) -# Ca0.17Mg0.34Al1.66Si4O10(OH)2 + 6H+ + 4H2O = 1.660Al+3 + 0.170Ca+2 + 0.340Mg+2 + 4H4SiO4 - # log_k 2.83 - -# # The divalent cations can be defined with the Gaines-Thomas convention... -# EXCHANGE_SPECIES -# # undefine the previous set... -# 0.17 Mg+2 + X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -3.708e10 -# 0.17 Ca+2 + X_montm_mg-0.34 = Ca0.17X_montm_mg; log_k -4.222e10 -# # write the Gaines-Thomas formulas... -# 0.34 Mg+2 + 2 X_montm_mg-0.34 = Mg0.34X_montm_mg2 ; log_k -7.416 # -0.297 # -# 0.34 Ca+2 + 2 X_montm_mg-0.34 = Ca0.34X_montm_mg2 ; log_k -8.444 # -0.811 # - -# # The default exchanger X can be used, uncomment the follwing lines -# # redefine f_Na in the rate... -# RATES -# Montmorillonite -# 5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent -# 7 f_Na = (mol("NaX") / tot("X")) # when running with the default X exchange -# 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Montmorillonite(MgNa)") / f_Na -# 20 rate = RATE_HERMANSKA("Montmorillonite") / f_Na -# 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 -# 40 SAVE area * rate * affinity * TIME -# -end -# # adapt log_k`s of the solids with default exchanger X: -# PHASES -# Montmorillonite(MgK) -# K0.34Mg0.34Al1.66Si4O10(OH)2 + 6H+ + 4H2O = 1.660Al+3 + 0.340K+ + 0.340Mg+2 + 4H4SiO4 - # log_k 2.6 # 3.41 - 0.7 * 0.34 = 3.17 expected, but is fraction-dependent, A&P, problems p. 305 -# Montmorillonite(MgMg) -# Mg0.34(Mg0.34Al1.66Si4O10(OH)2)2 + 12 H+ + 8 H2O = 3.32 Al+3 + 1.02 Mg+2 + 8 H4SiO4 - # log_k 6.27 # 3.41 * 2 - 0.6 * 0.34 = 6.62 -# Montmorillonite(MgCa) -# Ca0.34(Mg0.34Al1.66Si4O10(OH)2)2 + 12 H+ + 8 H2O = 3.32 Al+3 + 0.68 Mg+2 + 8 H4SiO4 + 0.34 Ca+2 - # log_k 6.2 # 3.41 * 2 - 0.8 * 0.34 = 6.55 -# # in EXCHANGE 1, comment X_montm_mg, uncomment X... -END - -SOLUTION 1 -pH 7 charge; -Na 1e-5 -K 1e-5 -Mg 1e-5 -Ca 1e-5 -END - -# Give the solution composition for calculating the ininitial exchanger -SOLUTION 99 -pH 7 charge -EQUILIBRIUM_PHASES 1 -# solid solution of the end-members, SI = log10(fraction = 0.25) -Montmorillonite(MgNa) -0.602 1e-2 -Montmorillonite(MgCa) -0.602 1e-2 -Montmorillonite(MgK) -0.602 1e-2 -Montmorillonite(MgMg) -0.602 1e-2 -Kaolinite 0 0 -SAVE solution 99 -END - -# # with Gapon only, initial exchanger can be defined explicitly -EXCHANGE 1 -Na0.34X_montm_mg 1e-2 -Ca0.17X_montm_mg 1e-2 -K0.34X_montm_mg 1e-2 -Mg0.17X_montm_mg 1e-2 -END - -USE solution 1 -EQUILIBRIUM_PHASES 1 -Kaolinite 0 0 -# USE EXCHANGE 1 # with Gapon only, uncomment in KINETICS: # X_montm_mg -1 -EXCHANGE 1 -X_montm_mg Montmorillonite kin 1; -equil 99 # comment in KINETICS: # X_montm_mg -1 -# X Montmorillonite kin 0.34; -equil 99 # default exchanger X, comment in KINETICS: # X_montm_mg -1 -KINETICS 1 -Montmorillonite --formula Mg0.34Al1.66Si4O10(OH)2 1 # X_montm_mg -1 --m 4e-2 --parms 0 2.5e5 1 0.67 --step 30 100 1e3 1e4 2e4 2e4 3e4 3e4 3e4 3e4 1e5 1e5 1e5 3e5 6e5 1e6 3e6 --cvode true -INCREMENTAL_REACTIONS true -USER_GRAPH 4 - -headings time Na K Mg Ca - -axis_titles "Time / days" "Molality" "Montmorillonite dissolved / (mmol/kgw)" - -axis_scale x_axis auto auto auto auto log - -axis_scale y_axis auto auto auto auto log -1 t = TOTAL_TIME / (3600 * 24) : put(t, 1) -10 GRAPH_X t -12 mg = tot("Mg") : if mg < 1e-24 then mg = 1e-24 -14 ca = tot("Ca") : if ca < 1e-24 then ca = 1e-24 -20 GRAPH_Y TOT("Na"), TOT("K"), mg, ca -30 GRAPH_SY (4e-2 - kin("Montmorillonite")) * 1e3 -END -USE solution 99; REACTION -USER_GRAPH 4; -connect_simulations false; -headings Solution_99 -1 t = get(1) -10 plot_xy t, tot("Na"), symbol = Circle , symbol_size = 15, color = Red -20 plot_xy t, tot("K"), symbol = Circle , symbol_size = 15, color = Green -30 plot_xy t, tot("Mg"), symbol = Circle , symbol_size = 15, color = Blue -40 plot_xy t, tot("Ca"), symbol = Circle , symbol_size = 15, color = Orange diff --git a/mytest/albite_rates.inc b/mytest/albite_rates.inc deleted file mode 100644 index 2be03d3cb..000000000 --- a/mytest/albite_rates.inc +++ /dev/null @@ -1,176 +0,0 @@ - - -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -0 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -5.0000e-01 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -1 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -1.5000e+00 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -2 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -2.5000e+00 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -3 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -3.5000e+00 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -4 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -4.5000e+00 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -5 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -5.5000e+00 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -6 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -6.5000e+00 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -7 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -7.5000e+00 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -8 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -8.5000e+00 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -9 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -9.5000e+00 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -10 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -1.0500e+01 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -11 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -1.1500e+01 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -12 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -1.2500e+01 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -13 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -1.3500e+01 LiOH 10 -USE kinetics 1 -END -USE solution 1 -EQUILIBRIUM_PHASES 1 - LiBr - Fix_pH -14 LiOH 10 -USE kinetics 1 -END diff --git a/mytest/albite_rates.out b/mytest/albite_rates.out deleted file mode 100644 index 52f3f7745..000000000 --- a/mytest/albite_rates.out +++ /dev/null @@ -1,173 +0,0 @@ -WARNING: Database file from DATABASE keyword is used; command line argument ignored. - Input file: albite_rates - Output file: albite_rates.out -Database file: ../database/phreeqc_rates.dat - ------------------- -Reading data base. ------------------- - - SOLUTION_MASTER_SPECIES - SOLUTION_SPECIES - PHASES - EXCHANGE_MASTER_SPECIES - EXCHANGE_SPECIES - SURFACE_MASTER_SPECIES - SURFACE_SPECIES - MEAN_GAMMAS - RATES - PHASES # defined for formulas and affinities of kinetic (mostly) dissolving minerals - RATE_PARAMETERS_PK - RATE_PARAMETERS_SVD - RATE_PARAMETERS_HERMANSKA - RATES - END ------------------------------------- -Reading input data for simulation 1. ------------------------------------- - - DATABASE ../database/phreeqc_rates.dat - SELECTED_OUTPUT 101 - file albite_rates_101.sel - USER_PUNCH 101 - headings Mu SC - start - 10 PUNCH STR_F$(MU, 20, 12) - 20 PUNCH STR_F$(SC, 20, 10) - end - END ------------------- -End of simulation. ------------------- - ------------------------------------- -Reading input data for simulation 2. ------------------------------------- - - KINETICS 1 - Albite_PK - formula NaAlSi3O8 - parms 0 1 1 0.67 - m0 1 - time_steps 1 # default - END ------------------- -End of simulation. ------------------- - ------------------------------------- -Reading input data for simulation 3. ------------------------------------- - - SOLUTION 1 - PHASES - Fix_pH - H+ = H+ - LiBr - LiBr = Li+ + Br- - log_k -20 # (very) unsoluble phase with base cation and acid anion, permits to use HBr or LiOH as reactant - SELECTED_OUTPUT 1 - file albite_rates.inc - reset false - USER_PUNCH 1 # write out the pH's to equilibrate... - 10 FOR i = 0 to 14 STEP 0.5 - 20 punch EOL$ + 'USE solution 1' - 30 punch EOL$ + 'EQUILIBRIUM_PHASES 1' - 40 punch EOL$ + ' LiBr' - 50 punch EOL$ + ' Fix_pH ' + TRIM(STR$(-i)) + ' LiOH 10' # ...or HBr as reactant - 60 punch EOL$ + 'USE kinetics 1' - 70 punch EOL$ + 'END' - 80 NEXT i - END -------------------------------------------- -Beginning of initial solution calculations. -------------------------------------------- - -Initial solution 1. - -WARNING: USER_PUNCH: Headings count does not match number of calls to PUNCH. - ------------------------------Solution composition------------------------------ - - Elements Molality Moles - - Pure water - -----------------------------Description of solution---------------------------- - - pH = 7.000 - pe = 4.000 - Specific Conductance (µS/cm, 25°C) = 0 - Density (g/cm³) = 0.99704 - Volume (L) = 1.00297 - Viscosity (mPa s) = 0.89002 - Activity of water = 1.000 - Ionic strength (mol/kgw) = 1.007e-07 - Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.217e-09 - Temperature (°C) = 25.00 - Electrical balance (eq) = -1.217e-09 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.60 - Iterations = 0 - Total H = 1.110124e+02 - Total O = 5.550622e+01 - -----------------------------Distribution of species---------------------------- - - Log Log Log mole V - Species Molality Activity Molality Activity Gamma cm³/mol - - OH- 1.013e-07 1.012e-07 -6.995 -6.995 -0.000 -4.14 - H+ 1.001e-07 1.000e-07 -7.000 -7.000 -0.000 0.00 - H2O 5.551e+01 1.000e+00 1.744 0.000 0.000 18.07 -H(0) 1.416e-25 - H2 7.079e-26 7.079e-26 -25.150 -25.150 0.000 28.61 -O(0) 0.000e+00 - O2 0.000e+00 0.000e+00 -42.080 -42.080 0.000 30.40 - -------------------------------Saturation indices------------------------------- - - Phase SI** log IAP log K(298 K, 1 atm) - - Fix_pH -7.00 -7.00 0.00 H+ - H2(g) -22.05 -25.15 -3.10 H2 - H2O(g) -1.50 0.00 1.50 H2O - O2(g) -39.19 -42.08 -2.89 O2 - -**For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. - For ideal gases, phi = 1. - ------------------- -End of simulation. ------------------- - ------------------------------------- -Reading input data for simulation 4. ------------------------------------- - - PRINT - reset false - - Reading data from albite_rates.inc ... - - Reading data from albite_rates.inc ... - - Reading data from albite_rates.inc ... - - Reading data from albite_rates.inc ... -WARNING: Unknown input, no keyword has been specified. -WARNING: Unknown input, no keyword has been specified. -WARNING: Unknown input, no keyword has been specified. -WARNING: Unknown input, no keyword has been specified. -WARNING: Unknown input, no keyword has been specified. -WARNING: Unknown input, no keyword has been specified. -WARNING: Element Al is contained in Kaolinite (which has 0.0 mass), -but is not in solution or other phases. -WARNING: Element Si is contained in Kaolinite (which has 0.0 mass), -but is not in solution or other phases. -WARNING: Element in phase, Kaolinite, is not in model. -WARNING: Element in phase, Kaolinite, is not in model. -WARNING: Element Al is contained in Kaolinite (which has 0.0 mass), -but is not in solution or other phases. -WARNING: Element Si is contained in Kaolinite (which has 0.0 mass), -but is not in solution or other phases. diff --git a/mytest/albite_rates_101.sel b/mytest/albite_rates_101.sel deleted file mode 100644 index 069b418d9..000000000 --- a/mytest/albite_rates_101.sel +++ /dev/null @@ -1,275 +0,0 @@ - Mu SC - 0.000000100661 0.0546997340 - 1.360612168973 467946.6937258441 - 0.410098469539 157258.3044367340 - 0.122379599362 48875.3872730299 - 0.036497908638 14865.2022953133 - 0.010985261137 4529.2244549578 - 0.003351280635 1393.7289200795 - 0.001035104293 433.1000333767 - 0.000322626396 135.5346580833 - 0.000101154267 42.6015987479 - 0.000031830159 13.4255789848 - 0.000010037547 4.2374452015 - 0.000003169474 1.3389385683 - 0.000001001783 0.4243197012 - 0.000000317046 0.1377055630 - 0.000000100747 0.0547028679 - 0.000000319678 0.0850530726 - 0.000001012748 0.2412972479 - 0.000003206845 0.7547484625 - 0.000010158796 2.3863118383 - 0.000032219309 7.5581501767 - 0.000102410981 23.9721573765 - 0.000326794816 76.2045279692 - 0.001049942328 243.1823877985 - 0.003412857909 781.0303065704 - 0.011308623011 2533.5480784265 - 0.038583758674 8327.9875435911 - 0.136622749455 27658.3300569213 - 0.497107323763 90406.0338296276 - 1.763786045372 270844.3649928398 - 1.360612170325 467946.6935717677 - 0.410098470223 157258.3043719739 - 0.122379599697 48875.3872466738 - 0.036497908793 14865.2022845313 - 0.010985261203 4529.2244505966 - 0.003351280659 1393.7289185201 - 0.001035104299 433.1000330383 - 0.000322626394 135.5346582082 - 0.000101154263 42.6015989618 - 0.000031830156 13.4255791080 - 0.000010037546 4.2374452067 - 0.000003169474 1.3389385584 - 0.000001001784 0.4243197186 - 0.000000317047 0.1377055863 - 0.000000100747 0.0547028844 - 0.000000319678 0.0850530760 - 0.000001012747 0.2412972166 - 0.000003206844 0.7547483565 - 0.000010158793 2.3863115694 - 0.000032219299 7.5581495163 - 0.000102410953 23.9721557933 - 0.000326794751 76.2045245583 - 0.001049942199 243.1823811660 - 0.003412857662 781.0302942724 - 0.011308622525 2533.5480556306 - 0.038583757595 8327.9874994524 - 0.136622746846 27658.3299718310 - 0.497107318241 90406.0337144223 - 1.763786035515 270844.3649754958 - 1.360612170985 467946.6934965207 - 0.410098470589 157258.3043372547 - 0.122379599901 48875.3872306349 - 0.036497908906 14865.2022766941 - 0.010985261265 4529.2244464711 - 0.003351280693 1393.7289162437 - 0.001035104318 433.1000317634 - 0.000322626405 135.5346575001 - 0.000101154269 42.6015985883 - 0.000031830159 13.4255789515 - 0.000010037548 4.2374451988 - 0.000003169475 1.3389386129 - 0.000001001784 0.4243197801 - 0.000000317047 0.1377056379 - 0.000000100747 0.0547029342 - 0.000000319679 0.0850531443 - 0.000001012748 0.2412973148 - 0.000003206845 0.7547485008 - 0.000010158796 2.3863117944 - 0.000032219305 7.5581499023 - 0.000102410965 23.9721564810 - 0.000326794773 76.2045256982 - 0.001049942233 243.1823829066 - 0.003412857714 781.0302968398 - 0.011308622606 2533.5480594480 - 0.038583757740 8327.9875054147 - 0.136622747131 27658.3299811332 - 0.497107318730 90406.0337247506 - 1.763786036215 270844.3649768168 - 1.360612168860 467946.6937388044 - 0.410098469481 157258.3044422624 - 0.122379599340 48875.3872747687 - 0.036497908640 14865.2022951989 - 0.010985261154 4529.2244538355 - 0.003351280662 1393.7289183136 - 0.001035104327 433.1000311804 - 0.000322626433 135.5346556459 - 0.000101154306 42.6015963554 - 0.000031830197 13.4255772645 - 0.000010037578 4.2374450705 - 0.000003169495 1.3389397023 - 0.000001001798 0.4243210134 - 0.000000317057 0.1377065412 - 0.000000100755 0.0547036485 - 0.000000319688 0.0850539411 - 0.000001012759 0.2412982570 - 0.000003206860 0.7547496682 - 0.000010158817 2.3863133773 - 0.000032219343 7.5581523292 - 0.000102411036 23.9721604421 - 0.000326794890 76.2045318401 - 0.001049942407 243.1823918288 - 0.003412857969 781.0303095243 - 0.011308622998 2533.5480778115 - 0.038583758429 8327.9875335549 - 0.136622748493 27658.3300259069 - 0.497107320996 90406.0337726421 - 1.763786039499 270844.3649824787 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000000100645 0.0546913855 - 0.000006940132 2.7156734710 - 0.000045001402 3.3356039561 - 0.000286424928 19.3411178703 - 0.000432906104 31.0420183499 - 0.000486143817 35.5095051484 - 0.000501052000 36.7395522608 - 0.000504993293 37.0633631199 - 0.000506022456 37.1478254746 - 0.000506290178 37.1697909416 - 0.000506359754 37.1754988708 - 0.000506384778 37.1775518296 - 0.000506384778 37.1775518322 - 0.000034160599 2.6948047964 - 0.000194228467 13.1707028540 - 0.000325320799 22.0069419044 - 0.000418394423 29.8016261149 - 0.000462968264 33.5798976778 - 0.000484789864 35.3973719728 - 0.000495609524 36.2914723218 - 0.000501000397 36.7353087467 - 0.000503692229 36.9565314100 - 0.000505037726 37.0670101921 - 0.000505710603 37.1222357559 - 0.000021994538 8.5986704374 - 0.000177177963 12.7000646690 - 0.001274189281 84.0755358277 - 0.001996835533 130.4480264686 - 0.002467410241 160.3757403612 - 0.002755004836 178.5970515839 - 0.002912013555 188.5446649939 - 0.002985270191 193.1961780633 - 0.003014837936 195.0777214229 - 0.003025770144 195.7742371552 - 0.003029656323 196.0219604794 - 0.003031017071 196.1087173984 - 0.000090827873 7.6050164326 - 0.000412411019 27.9519955647 - 0.000639785697 42.8426536138 - 0.000840338214 55.9351879465 - 0.001025243617 67.9589237559 - 0.001198771137 79.2014071121 - 0.001362994082 89.8057914674 - 0.001519031296 99.8515467325 - 0.001667504045 109.3846367512 - 0.001808738076 118.4310207530 - 0.001942863843 127.0034208957 - 0.000000100644 0.0547821292 - 0.000000101193 0.0548655725 - 0.000000106321 0.0556983504 - 0.000000110882 0.0565126045 - 0.000000114963 0.0572932358 - 0.000000118636 0.0580331058 - 0.000000121954 0.0587294107 - 0.000000124963 0.0593817608 - 0.000000127699 0.0599911168 - 0.000000130194 0.0605591809 - 0.000000132473 0.0610880397 - 0.000000134560 0.0615799507 - 0.000000108924 0.0561550723 - 0.000000144963 0.0641329833 - 0.000000154826 0.0666851511 - 0.000000158117 0.0675610407 - 0.000000159270 0.0678704737 - 0.000000159680 0.0679808832 - 0.000000159827 0.0680204175 - 0.000000159880 0.0680345914 - 0.000000159899 0.0680396753 - 0.000000159907 0.0680419702 - 0.000000159909 0.0680424134 - 0.000000104628 0.0554130707 - 0.000000129499 0.0603998624 - 0.000000141703 0.0633161067 - 0.000000148606 0.0650620595 - 0.000000152756 0.0661400546 - 0.000000155332 0.0668189521 - 0.000000156960 0.0672518396 - 0.000000158002 0.0675300299 - 0.000000158672 0.0677096985 - 0.000000159105 0.0678261087 - 0.000000159386 0.0679016884 - 0.000000100914 0.0548231482 - 0.000000103532 0.0552338256 - 0.000000105998 0.0556431723 - 0.000000108325 0.0560481520 - 0.000000110525 0.0564466046 - 0.000000112607 0.0568370052 - 0.000000114581 0.0572182947 - 0.000000116455 0.0575897590 - 0.000000118236 0.0579509409 - 0.000000119929 0.0583015762 - 0.000000121542 0.0586415453 - 0.030000116639 3396.0891259440 - 0.030000127222 3396.0885356208 - 0.030000198439 3396.0848634137 - 0.030000236597 3396.0828629780 - 0.030000259095 3396.0816307488 - 0.030000272924 3396.0808502624 - 0.030000281616 3396.0803502685 - 0.030000287149 3396.0800280725 - 0.030000290699 3396.0798197419 - 0.030000292988 3396.0796847568 - 0.030000294468 3396.0795971817 - 0.030000295427 3396.0795403183 - 0.030000146351 3396.0875205274 - 0.030000269442 3396.0810484772 - 0.030000291879 3396.0797502522 - 0.030000296176 3396.0794958553 - 0.030000297002 3396.0794467245 - 0.030000297164 3396.0794371026 - 0.030000297196 3396.0794352190 - 0.030000297205 3396.0794346536 - 0.030000297205 3396.0794346536 - 0.030000297205 3396.0794346536 - 0.030000297205 3396.0794346536 - 0.000000155027 0.0510773043 - 0.000000100644 0.0547821292 - 0.000134412912 11.2965252435 - 0.000134412912 11.2965252435 - 0.000000144292 0.0563872145 - 0.000000174724 0.0591557826 - 0.000000492366 0.0911384609 - 0.000003228275 0.4496355181 - 0.000010309551 1.4981620851 - 0.000018353005 2.5357654995 - 0.000031356994 3.9564208081 - 0.000044867506 5.2164659995 - 0.000058332023 6.3299938835 - 0.000071215301 7.3021355046 - 0.000104690885 9.5468496910 - 0.000121149482 10.5482467076 - 0.000127138540 10.9002954908 - 0.000129798971 11.0548063430 - 0.000129868897 11.0588524875 - 0.000129865485 11.0586550945 - 0.000129865458 11.0586535199 - 0.000134412912 11.2965252435 diff --git a/mytest/count_database_species.out b/mytest/count_database_species.out index 087cd2af6..37352e689 100644 --- a/mytest/count_database_species.out +++ b/mytest/count_database_species.out @@ -1,4 +1,3 @@ -WARNING: Database file from DATABASE keyword is used; command line argument ignored. Input file: count_database_species Output file: count_database_species.out Database file: ../database/sit.dat @@ -193,8 +192,6 @@ WARNING: Could not find element in database, At. Concentration is set to zero. WARNING: Could not find element in database, Au. Concentration is set to zero. -WARNING: Could not find element in database, Be. - Concentration is set to zero. WARNING: Could not find element in database, Bi. Concentration is set to zero. WARNING: Could not find element in database, Bk. @@ -292,11 +289,11 @@ Initial solution 1. ----------------------------------User print----------------------------------- Summary of inorganic species (elements) -number of primary master species = 54 +number of primary master species = 55 number of secondary master species = 57 -number of minerals = 837 -number of gases = 10 -number of aqueous species = 1012 +number of minerals = 896 +number of gases = 13 +number of aqueous species = 1099 -----------------------------Solution composition------------------------------ @@ -308,6 +305,7 @@ number of aqueous species = 1012 As 1.000e-03 1.000e-03 B 1.000e-03 1.000e-03 Ba 1.000e-03 1.000e-03 + Be 1.000e-03 1.000e-03 Br 1.000e-03 1.000e-03 C 1.000e-03 1.000e-03 Ca 1.000e-03 1.000e-03 @@ -360,2679 +358,2880 @@ number of aqueous species = 1012 pH = 7.000 pe = 4.000 Activity of water = 0.999 - Ionic strength (mol/kgw) = 4.748e-02 + Ionic strength (mol/kgw) = 4.947e-02 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 2.208e-02 + Total alkalinity (eq/kg) = 1.203e-02 Total CO2 (mol/kg) = 1.000e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.056e-02 - Percent error, 100*(Cat-|An|)/(Cat+|An|) = 60.31 + Electrical balance (eq) = 3.099e-02 + Percent error, 100*(Cat-|An|)/(Cat+|An|) = 59.46 Iterations = 38 Gamma iterations = 12 - Osmotic coefficient = 0.87200 - Total H = 1.110731e+02 - Total O = 5.558859e+01 + Osmotic coefficient = 0.86566 + Total H = 1.110722e+02 + Total O = 5.559155e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 1.212e-07 1.000e-07 -6.916 -7.000 -0.084 0.00 - OH- 1.212e-07 9.993e-08 -6.917 -7.000 -0.084 (0) + H+ 1.216e-07 1.000e-07 -6.915 -7.000 -0.085 0.00 + OH- 1.215e-07 9.994e-08 -6.915 -7.000 -0.085 (0) H2O 5.551e+01 9.994e-01 1.744 -0.000 0.000 18.07 Ag 1.000e-03 - AgI 3.744e-04 3.744e-04 -3.427 -3.427 0.000 (0) - AgI2- 3.092e-04 2.550e-04 -3.510 -3.593 -0.084 (0) - AgBr 1.594e-04 1.594e-04 -3.798 -3.798 0.000 (0) - AgBr2- 1.020e-04 8.407e-05 -3.992 -4.075 -0.084 (0) - AgCl 2.693e-05 2.693e-05 -4.570 -4.570 0.000 (0) - Ag+ 2.311e-05 1.906e-05 -4.636 -4.720 -0.084 (0) - AgCl2- 2.479e-06 2.044e-06 -5.606 -5.690 -0.084 (0) - AgBr3-2 2.355e-06 1.089e-06 -5.628 -5.963 -0.335 (0) - Ag(SO4)- 1.154e-07 9.514e-08 -6.938 -7.022 -0.084 (0) - AgI3-2 1.083e-07 5.009e-08 -6.965 -7.300 -0.335 (0) - AgCl3-2 3.513e-09 1.624e-09 -8.454 -8.789 -0.335 (0) - Ag(OH) 1.905e-10 1.905e-10 -9.720 -9.720 0.000 (0) - AgCO3- 6.586e-11 5.431e-11 -10.181 -10.265 -0.084 (0) - AgCl4-3 1.161e-11 2.046e-12 -10.935 -11.689 -0.754 (0) - Ag(SeO3)- 7.103e-14 5.857e-14 -13.149 -13.232 -0.084 (0) - Ag(OH)2- 2.308e-15 1.903e-15 -14.637 -14.720 -0.084 (0) - Ag(CO3)2-3 5.290e-19 9.325e-20 -18.277 -19.030 -0.754 (0) - AgNO3 1.224e-26 1.224e-26 -25.912 -25.912 0.000 (0) - Ag(SO3)- 1.872e-29 1.543e-29 -28.728 -28.812 -0.084 (0) - Ag(HS) 0.000e+00 0.000e+00 -55.661 -55.661 0.000 (0) - Ag(S2O3)- 0.000e+00 0.000e+00 -66.208 -66.292 -0.084 (0) - Ag(HS)2- 0.000e+00 0.000e+00 -116.168 -116.252 -0.084 (0) - Ag(S2O3)2-3 0.000e+00 0.000e+00 -131.931 -132.684 -0.754 (0) + AgI 3.731e-04 3.731e-04 -3.428 -3.428 0.000 (0) + AgI2- 3.099e-04 2.548e-04 -3.509 -3.594 -0.085 (0) + AgBr 1.592e-04 1.592e-04 -3.798 -3.798 0.000 (0) + AgBr2- 1.027e-04 8.443e-05 -3.988 -4.073 -0.085 (0) + AgCl 2.655e-05 2.655e-05 -4.576 -4.576 0.000 (0) + Ag+ 2.304e-05 1.895e-05 -4.637 -4.722 -0.085 (0) + AgCl2- 2.431e-06 1.999e-06 -5.614 -5.699 -0.085 (0) + AgBr3-2 2.406e-06 1.099e-06 -5.619 -5.959 -0.340 (0) + Ag(SeO3)- 4.065e-07 3.342e-07 -6.391 -6.476 -0.085 (0) + Ag(SO4)- 1.118e-07 9.193e-08 -6.951 -7.037 -0.085 (0) + AgI3-2 1.098e-07 5.018e-08 -6.959 -7.300 -0.340 (0) + AgCl3-2 3.448e-09 1.575e-09 -8.462 -8.803 -0.340 (0) + Ag(OH) 1.893e-10 1.893e-10 -9.723 -9.723 0.000 (0) + AgCO3- 1.270e-10 1.044e-10 -9.896 -9.981 -0.085 (0) + AgCl4-3 1.147e-11 1.967e-12 -10.941 -11.706 -0.766 (0) + Ag(OH)2- 2.301e-15 1.892e-15 -14.638 -14.723 -0.085 (0) + Ag(CO3)2-3 2.022e-18 3.469e-19 -17.694 -18.460 -0.766 (0) + AgNO3 1.781e-26 1.781e-26 -25.749 -25.749 0.000 (0) + Ag(SO3)- 3.012e-29 2.476e-29 -28.521 -28.606 -0.085 (0) + Ag(HS) 0.000e+00 0.000e+00 -55.675 -55.675 0.000 (0) + Ag(S2O3)- 0.000e+00 0.000e+00 -66.224 -66.309 -0.085 (0) + Ag(HS)2- 0.000e+00 0.000e+00 -116.193 -116.278 -0.085 (0) + Ag(S2O3)2-3 0.000e+00 0.000e+00 -131.950 -132.716 -0.766 (0) Al 1.000e-03 - Al(OH)4- 4.851e-04 4.000e-04 -3.314 -3.398 -0.084 (0) - Al(OH)2F 3.829e-04 3.829e-04 -3.417 -3.417 0.000 (0) - Al(OH)3 1.128e-04 1.128e-04 -3.948 -3.948 0.000 (0) - Al(OH)2+ 9.469e-06 7.810e-06 -5.024 -5.107 -0.084 (0) - AlF2+ 4.988e-06 4.113e-06 -5.302 -5.386 -0.084 (0) - Al(OH)2F2- 1.612e-06 1.329e-06 -5.793 -5.876 -0.084 (0) - AlF+2 1.284e-06 5.939e-07 -5.891 -6.226 -0.335 (0) - AlF3 9.653e-07 9.653e-07 -6.015 -6.015 0.000 (0) - Al(OH)+2 7.209e-07 3.334e-07 -6.142 -6.477 -0.335 (0) - NaAl(OH)4 5.733e-08 5.733e-08 -7.242 -7.242 0.000 (0) - Al+3 1.685e-08 2.973e-09 -7.773 -8.527 -0.754 (0) - KAl(OH)4 1.474e-08 1.474e-08 -7.832 -7.832 0.000 (0) - AlH3SiO4+2 9.599e-09 4.438e-09 -8.018 -8.353 -0.335 (0) - AlF4- 5.874e-09 4.844e-09 -8.231 -8.315 -0.084 (0) - Al(SO4)+ 1.110e-09 9.152e-10 -8.955 -9.038 -0.084 (0) - AlOHF2 2.108e-11 2.108e-11 -10.676 -10.676 0.000 (0) - Al(IO3)+2 0.000e+00 0.000e+00 -56.579 -56.914 -0.335 (0) - Al(IO3)2+ 0.000e+00 0.000e+00 -105.838 -105.922 -0.084 (0) + Al(OH)4- 4.959e-04 4.077e-04 -3.305 -3.390 -0.085 (0) + Al(OH)2F 3.704e-04 3.704e-04 -3.431 -3.431 0.000 (0) + Al(OH)3 1.150e-04 1.150e-04 -3.939 -3.939 0.000 (0) + Al(OH)2+ 9.680e-06 7.960e-06 -5.014 -5.099 -0.085 (0) + AlF2+ 4.593e-06 3.776e-06 -5.338 -5.423 -0.085 (0) + Al(OH)2F2- 1.484e-06 1.220e-06 -5.828 -5.914 -0.085 (0) + AlF+2 1.257e-06 5.745e-07 -5.901 -6.241 -0.340 (0) + AlF3 8.411e-07 8.411e-07 -6.075 -6.075 0.000 (0) + Al(OH)+2 7.436e-07 3.398e-07 -6.129 -6.469 -0.340 (0) + NaAl(OH)4 5.825e-08 5.825e-08 -7.235 -7.235 0.000 (0) + Al+3 1.765e-08 3.030e-09 -7.753 -8.519 -0.765 (0) + AlH3SiO4+2 8.794e-09 4.017e-09 -8.056 -8.396 -0.340 (0) + AlF4- 4.872e-09 4.005e-09 -8.312 -8.397 -0.085 (0) + Al(SO4)+ 1.103e-09 9.066e-10 -8.958 -9.043 -0.085 (0) + AlOHF2 1.935e-11 1.935e-11 -10.713 -10.713 0.000 (0) + Al(IO3)+2 0.000e+00 0.000e+00 -56.565 -56.905 -0.340 (0) + Al(IO3)2+ 0.000e+00 0.000e+00 -105.827 -105.912 -0.085 (0) Am(2) 0.000e+00 - Am+2 0.000e+00 0.000e+00 -46.675 -47.010 -0.335 (0) + Am+2 0.000e+00 0.000e+00 -46.653 -46.994 -0.340 (0) Am(3) 1.000e-03 - Am+3 4.202e-04 7.411e-05 -3.376 -4.130 -0.754 (0) - AmOSi(OH)3+2 2.811e-04 1.300e-04 -3.551 -3.886 -0.335 (0) - Am(OH)+2 1.011e-04 4.673e-05 -3.995 -4.330 -0.335 (0) - AmPO4 7.513e-05 7.513e-05 -4.124 -4.124 0.000 (0) - Am(SO4)+ 5.270e-05 4.347e-05 -4.278 -4.362 -0.084 (0) - Am(CO3)+ 4.153e-05 3.425e-05 -4.382 -4.465 -0.084 (0) - Am(HPO4)+ 9.541e-06 7.867e-06 -5.020 -5.104 -0.084 (0) - AmF+2 8.419e-06 3.894e-06 -5.075 -5.410 -0.335 (0) - Am(OH)2+ 7.134e-06 5.879e-06 -5.147 -5.231 -0.084 (0) - Am(HCO3)+2 2.510e-06 1.161e-06 -5.600 -5.935 -0.335 (0) - AmCl+2 2.113e-07 9.774e-08 -6.675 -7.010 -0.335 (0) - Am(SO4)2- 1.446e-07 1.193e-07 -6.840 -6.924 -0.084 (0) - Am(H2PO4)+2 9.347e-08 4.323e-08 -7.029 -7.364 -0.335 (0) - Am(PO4)2-3 5.316e-08 9.370e-09 -7.274 -8.028 -0.754 (0) - AmF3 4.481e-08 4.481e-08 -7.349 -7.349 0.000 (0) - AmF2+ 2.480e-08 2.046e-08 -7.605 -7.689 -0.084 (0) - Am(HPO4)2- 1.498e-08 1.235e-08 -7.824 -7.908 -0.084 (0) - Am(CO3)2- 1.212e-08 9.988e-09 -7.917 -8.001 -0.084 (0) - Am(OH)3 4.669e-10 4.669e-10 -9.331 -9.331 0.000 (0) - AmCl2+ 9.418e-12 7.768e-12 -11.026 -11.110 -0.084 (0) - Ca(Am(OH)3)+2 3.527e-13 1.631e-13 -12.453 -12.788 -0.335 (0) - Am(CO3)3-3 3.298e-14 5.811e-15 -13.482 -14.236 -0.754 (0) - Am(OH)4- 1.789e-17 1.475e-17 -16.747 -16.831 -0.084 (0) - Ca2(Am(OH)4)+3 5.118e-20 9.022e-21 -19.291 -20.045 -0.754 (0) - Am(NO3)+2 4.289e-24 1.984e-24 -23.368 -23.703 -0.335 (0) - Ca3(Am(OH)6)+3 7.109e-33 1.253e-33 -32.148 -32.902 -0.754 (0) - Am(CO3)5-6 0.000e+00 0.000e+00 -43.391 -46.406 -3.016 (0) + Am+3 4.484e-04 7.698e-05 -3.348 -4.114 -0.765 (0) + AmSiO(OH)3+2 2.625e-04 1.199e-04 -3.581 -3.921 -0.340 (0) + Am(OH)+2 1.063e-04 4.854e-05 -3.974 -4.314 -0.340 (0) + Am(CO3)+ 8.367e-05 6.882e-05 -4.077 -4.162 -0.085 (0) + Am(SO4)+ 5.988e-05 4.924e-05 -4.223 -4.308 -0.085 (0) + Am(PO4) 1.561e-05 1.561e-05 -4.807 -4.807 0.000 (0) + AmF+2 8.399e-06 3.839e-06 -5.076 -5.416 -0.340 (0) + Am(OH)2+ 7.433e-06 6.107e-06 -5.129 -5.214 -0.085 (0) + Am(HCO3)+2 5.105e-06 2.332e-06 -5.292 -5.632 -0.340 (0) + Am(HPO4)+ 1.988e-06 1.634e-06 -5.702 -5.787 -0.085 (0) + Am(SO4)2- 3.832e-07 3.150e-07 -6.417 -6.502 -0.085 (0) + AmCl+2 2.203e-07 1.007e-07 -6.657 -6.997 -0.340 (0) + Am(CO3)2- 4.721e-08 3.882e-08 -7.326 -7.411 -0.085 (0) + AmF3 3.979e-08 3.979e-08 -7.400 -7.400 0.000 (0) + AmF2+ 2.328e-08 1.914e-08 -7.633 -7.718 -0.085 (0) + Am(H2PO4)+2 5.667e-09 2.590e-09 -8.247 -8.587 -0.340 (0) + Am(PO4)2-3 2.375e-09 4.075e-10 -8.624 -9.390 -0.766 (0) + Am(HPO4)2- 6.386e-10 5.250e-10 -9.195 -9.280 -0.085 (0) + Am(OH)3 4.848e-10 4.848e-10 -9.314 -9.314 0.000 (0) + AmCl2+ 8.214e-12 6.754e-12 -11.085 -11.170 -0.085 (0) + Ca(Am(OH)3)+2 3.666e-13 1.675e-13 -12.436 -12.776 -0.340 (0) + Am(CO3)3-3 2.546e-13 4.369e-14 -12.594 -13.360 -0.765 (0) + Ca2(Am(OH)4)+3 5.340e-20 9.168e-21 -19.272 -20.038 -0.765 (0) + Am(NO3)+2 5.884e-24 2.688e-24 -23.230 -23.571 -0.340 (0) + Ca3(Am(OH)6)+3 7.341e-33 1.260e-33 -32.134 -32.900 -0.766 (0) + Am(CO3)5-6 0.000e+00 0.000e+00 -41.895 -44.957 -3.062 (0) + Am(NO3)2+ 0.000e+00 0.000e+00 -44.622 -44.708 -0.085 (0) Am(4) 0.000e+00 - Am+4 0.000e+00 0.000e+00 -43.000 -44.340 -1.340 (0) -Am(5) 3.832e-27 - AmO2+ 3.829e-27 3.158e-27 -26.417 -26.501 -0.084 (0) - AmO2(CO3)- 2.806e-30 2.313e-30 -29.552 -29.636 -0.084 (0) - AmO2OH 1.582e-31 1.582e-31 -30.801 -30.801 0.000 (0) - AmO2(CO3)2-3 3.042e-36 5.358e-37 -35.517 -36.271 -0.754 (0) - AmO2(OH)2- 9.607e-37 7.922e-37 -36.017 -36.101 -0.084 (0) - AmO2(CO3)3-5 0.000e+00 0.000e+00 -44.012 -46.106 -2.094 (0) + Am+4 0.000e+00 0.000e+00 -42.963 -44.324 -1.361 (0) +Am(5) 3.994e-27 + AmO2+ 3.988e-27 3.280e-27 -26.399 -26.484 -0.085 (0) + AmO2(CO3)- 5.655e-30 4.647e-30 -29.248 -29.333 -0.085 (0) + AmO2OH 1.643e-31 1.643e-31 -30.784 -30.784 0.000 (0) + AmO2(CO3)2-3 1.214e-35 2.082e-36 -34.916 -35.681 -0.766 (0) + AmO2(OH)2- 1.001e-36 8.228e-37 -36.000 -36.085 -0.085 (0) + AmO2(CO3)3-5 0.000e+00 0.000e+00 -43.103 -45.230 -2.127 (0) Am(6) 0.000e+00 - AmO2+2 0.000e+00 0.000e+00 -49.146 -49.481 -0.335 (0) -As(3) 7.721e-12 - H3(AsO3) 7.665e-12 7.665e-12 -11.115 -11.115 0.000 (0) - H2(AsO3)- 5.601e-14 4.619e-14 -13.252 -13.335 -0.084 (0) - H(AsO3)-2 3.977e-21 1.839e-21 -20.400 -20.735 -0.335 (0) - AsO3-3 1.118e-28 1.970e-29 -27.952 -28.705 -0.754 (0) + AmO2+2 0.000e+00 0.000e+00 -49.124 -49.464 -0.340 (0) +As(3) 7.547e-12 + H3(AsO3) 7.492e-12 7.492e-12 -11.125 -11.125 0.000 (0) + H2(AsO3)- 5.491e-14 4.514e-14 -13.260 -13.345 -0.085 (0) + H(AsO3)-2 3.934e-21 1.797e-21 -20.405 -20.745 -0.340 (0) + AsO3-3 1.122e-28 1.926e-29 -27.950 -28.715 -0.766 (0) As(5) 1.000e-03 - H(AsO4)-2 6.156e-04 2.846e-04 -3.211 -3.546 -0.335 (0) - H2(AsO4)- 2.032e-04 1.676e-04 -3.692 -3.776 -0.084 (0) - NiHAsO4 9.257e-05 9.257e-05 -4.034 -4.034 0.000 (0) - UO2(HAsO4) 5.854e-05 5.854e-05 -4.233 -4.233 0.000 (0) - Ca(HAsO4) 2.497e-05 2.497e-05 -4.602 -4.602 0.000 (0) - Ca(H2AsO4)+ 2.827e-06 2.331e-06 -5.549 -5.632 -0.084 (0) - Ca(AsO4)- 2.245e-06 1.851e-06 -5.649 -5.732 -0.084 (0) - AsO4-3 4.056e-08 7.149e-09 -7.392 -8.146 -0.754 (0) - UO2(H2AsO4)+ 1.125e-08 9.277e-09 -7.949 -8.033 -0.084 (0) - H3(AsO4) 3.049e-09 3.049e-09 -8.516 -8.516 0.000 (0) - UO2(H2AsO4)2 2.464e-11 2.464e-11 -10.608 -10.608 0.000 (0) + H(AsO4)-2 6.231e-04 2.847e-04 -3.205 -3.546 -0.340 (0) + H2(AsO4)- 2.039e-04 1.676e-04 -3.691 -3.776 -0.085 (0) + NiHAsO4 9.165e-05 9.165e-05 -4.038 -4.038 0.000 (0) + UO2(HAsO4) 5.156e-05 5.156e-05 -4.288 -4.288 0.000 (0) + Ca(HAsO4) 2.471e-05 2.471e-05 -4.607 -4.607 0.000 (0) + Ca(H2AsO4)+ 2.805e-06 2.306e-06 -5.552 -5.637 -0.085 (0) + Ca(AsO4)- 2.228e-06 1.832e-06 -5.652 -5.737 -0.085 (0) + AsO4-3 4.167e-08 7.150e-09 -7.380 -8.146 -0.766 (0) + UO2(H2AsO4)+ 9.940e-09 8.172e-09 -8.003 -8.088 -0.085 (0) + H3(AsO4) 3.050e-09 3.050e-09 -8.516 -8.516 0.000 (0) + UO2(H2AsO4)2 2.171e-11 2.171e-11 -10.663 -10.663 0.000 (0) B 1.000e-03 - Cu(B(OH)4)+ 7.412e-04 6.112e-04 -3.130 -3.214 -0.084 (0) - B(OH)3 9.090e-05 9.090e-05 -4.041 -4.041 0.000 (0) - Cu(B(OH)4)2 6.675e-05 6.675e-05 -4.176 -4.176 0.000 (0) - Pb(B(OH)4)+ 3.365e-05 2.775e-05 -4.473 -4.557 -0.084 (0) - B(OH)4- 6.340e-07 5.227e-07 -6.198 -6.282 -0.084 (0) - Cu(B(OH)4)3- 2.221e-08 1.831e-08 -7.654 -7.737 -0.084 (0) - CaB(OH)4+ 1.759e-08 1.451e-08 -7.755 -7.838 -0.084 (0) - MgB(OH)4+ 1.146e-08 9.451e-09 -7.941 -8.025 -0.084 (0) - SrB(OH)4+ 1.019e-08 8.406e-09 -7.992 -8.075 -0.084 (0) - BaB(OH)4+ 8.641e-09 7.125e-09 -8.063 -8.147 -0.084 (0) - BF(OH)3- 1.156e-09 9.529e-10 -8.937 -9.021 -0.084 (0) - NaB(OH)4 3.424e-10 3.424e-10 -9.465 -9.465 0.000 (0) - Fe(B(OH)4)2+ 1.871e-10 1.543e-10 -9.728 -9.812 -0.084 (0) - Fe(B(OH)4)+2 7.000e-11 3.237e-11 -10.155 -10.490 -0.335 (0) - HB2O4- 4.914e-11 4.052e-11 -10.309 -10.392 -0.084 (0) - Pb(B(OH)4)3- 8.780e-12 7.240e-12 -11.056 -11.140 -0.084 (0) - B3O5- 1.382e-12 1.140e-12 -11.859 -11.943 -0.084 (0) - BF2(OH)2- 2.592e-13 2.137e-13 -12.586 -12.670 -0.084 (0) - B4O7-2 1.290e-17 5.965e-18 -16.889 -17.224 -0.335 (0) - BF3(OH)- 5.948e-19 4.905e-19 -18.226 -18.309 -0.084 (0) - BF4- 5.072e-24 4.182e-24 -23.295 -23.379 -0.084 (0) + Cu(B(OH)4)+ 6.946e-04 5.710e-04 -3.158 -3.243 -0.085 (0) + B(OH)3 1.220e-04 1.220e-04 -3.914 -3.914 0.000 (0) + Cu(B(OH)4)2 8.369e-05 8.369e-05 -4.077 -4.077 0.000 (0) + Pb(B(OH)4)+ 1.505e-05 1.237e-05 -4.823 -4.908 -0.085 (0) + B(OH)4- 8.534e-07 7.015e-07 -6.069 -6.154 -0.085 (0) + Cu(B(OH)4)3- 3.748e-08 3.081e-08 -7.426 -7.511 -0.085 (0) + CaB(OH)4+ 2.342e-08 1.925e-08 -7.630 -7.715 -0.085 (0) + MgB(OH)4+ 1.525e-08 1.254e-08 -7.817 -7.902 -0.085 (0) + SrB(OH)4+ 1.357e-08 1.115e-08 -7.867 -7.953 -0.085 (0) + BaB(OH)4+ 1.151e-08 9.465e-09 -7.939 -8.024 -0.085 (0) + BF(OH)3- 1.476e-09 1.214e-09 -8.831 -8.916 -0.085 (0) + NaB(OH)4 4.581e-10 4.581e-10 -9.339 -9.339 0.000 (0) + HB2O4- 8.876e-11 7.297e-11 -10.052 -10.137 -0.085 (0) + Fe(B(OH)4)2+ 4.882e-11 4.014e-11 -10.311 -10.396 -0.085 (0) + Fe(B(OH)4)+2 1.373e-11 6.274e-12 -10.862 -11.202 -0.340 (0) + Pb(B(OH)4)3- 7.071e-12 5.813e-12 -11.151 -11.236 -0.085 (0) + B3O5- 3.350e-12 2.754e-12 -11.475 -11.560 -0.085 (0) + BF2(OH)2- 3.142e-13 2.583e-13 -12.503 -12.588 -0.085 (0) + B4O7-2 4.235e-17 1.935e-17 -16.373 -16.713 -0.340 (0) + BF3(OH)- 6.844e-19 5.626e-19 -18.165 -18.250 -0.085 (0) + BF4- 5.538e-24 4.553e-24 -23.257 -23.342 -0.085 (0) Ba 1.000e-03 - Ba+2 9.539e-04 4.411e-04 -3.021 -3.355 -0.335 (0) - Ba(SO4) 4.601e-05 4.601e-05 -4.337 -4.337 0.000 (0) - Ba(HCO3)+ 6.354e-08 5.239e-08 -7.197 -7.281 -0.084 (0) - BaF+ 2.811e-08 2.318e-08 -7.551 -7.635 -0.084 (0) - BaB(OH)4+ 8.641e-09 7.125e-09 -8.063 -8.147 -0.084 (0) - Ba(CO3) 1.316e-09 1.316e-09 -8.881 -8.881 0.000 (0) - Ba(OH)+ 1.811e-10 1.494e-10 -9.742 -9.826 -0.084 (0) - Ba(NO3)+ 3.280e-25 2.705e-25 -24.484 -24.568 -0.084 (0) + Ba+2 9.556e-04 4.366e-04 -3.020 -3.360 -0.340 (0) + Ba(SO4) 4.427e-05 4.427e-05 -4.354 -4.354 0.000 (0) + Ba(HCO3)+ 1.220e-07 1.003e-07 -6.914 -6.999 -0.085 (0) + BaF+ 2.648e-08 2.177e-08 -7.577 -7.662 -0.085 (0) + BaB(OH)4+ 1.151e-08 9.465e-09 -7.939 -8.024 -0.085 (0) + Ba(CO3) 2.520e-09 2.520e-09 -8.599 -8.599 0.000 (0) + Ba2UO2(CO3)3 1.915e-09 1.915e-09 -8.718 -8.718 0.000 (0) + BaUO2(CO3)3-2 6.797e-10 3.105e-10 -9.168 -9.508 -0.340 (0) + Ba(OH)+ 1.798e-10 1.478e-10 -9.745 -9.830 -0.085 (0) + Ba(NO3)+ 4.766e-25 3.919e-25 -24.322 -24.407 -0.085 (0) +Be 1.000e-03 + Be6(OH)8+4 1.303e-04 5.673e-06 -3.885 -5.246 -1.361 (0) + Be(OH)+ 5.899e-05 4.850e-05 -4.229 -4.314 -0.085 (0) + Be3(OH)3+3 2.707e-05 4.647e-06 -4.568 -5.333 -0.765 (0) + Be(OH)(CO3)- 1.453e-05 1.194e-05 -4.838 -4.923 -0.085 (0) + BeF+ 1.199e-05 9.858e-06 -4.921 -5.006 -0.085 (0) + BeCO3 6.271e-06 6.271e-06 -5.203 -5.203 0.000 (0) + Be5(OH)6+4 5.487e-06 2.390e-07 -5.261 -6.622 -1.361 (0) + Be(OH)2(CO3)-2 3.365e-06 1.537e-06 -5.473 -5.813 -0.340 (0) + Be+2 3.282e-06 1.500e-06 -5.484 -5.824 -0.340 (0) + Be(OH)2 2.989e-06 2.989e-06 -5.525 -5.525 0.000 (0) + BeF2 2.764e-06 2.764e-06 -5.558 -5.558 0.000 (0) + Be6(OH)5(CO3)2+3 6.799e-07 1.168e-07 -6.168 -6.933 -0.765 (0) + Be5(OH)4(CO3)+4 2.826e-07 1.231e-08 -6.549 -7.910 -1.361 (0) + Be2(OH)+3 4.436e-08 7.616e-09 -7.353 -8.118 -0.765 (0) + BeF3- 3.930e-08 3.231e-08 -7.406 -7.491 -0.085 (0) + BeSO4 3.251e-08 3.251e-08 -7.488 -7.488 0.000 (0) + Be3(OH)(CO3)+3 6.526e-09 1.120e-09 -8.185 -8.951 -0.766 (0) + BeCl+ 2.126e-09 1.748e-09 -8.672 -8.757 -0.085 (0) + Be(OH)3- 9.125e-10 7.502e-10 -9.040 -9.125 -0.085 (0) + Be(SO4)2-2 3.007e-10 1.374e-10 -9.522 -9.862 -0.340 (0) + Be3(OH)3(CO3)3-3 3.067e-11 5.263e-12 -10.513 -11.279 -0.766 (0) + BeF4-2 1.404e-11 6.415e-12 -10.853 -11.193 -0.340 (0) + Be3(OH)4(CO3)3-4 1.264e-11 5.507e-13 -10.898 -12.259 -1.361 (0) + Be(SO4)3-4 1.084e-11 4.720e-13 -10.965 -12.326 -1.361 (0) + Be(OH)4-2 8.224e-16 3.757e-16 -15.085 -15.425 -0.340 (0) Br 1.000e-03 - Br- 5.834e-04 4.812e-04 -3.234 -3.318 -0.084 (0) - AgBr 1.594e-04 1.594e-04 -3.798 -3.798 0.000 (0) - AgBr2- 1.020e-04 8.407e-05 -3.992 -4.075 -0.084 (0) - CdBr+ 3.500e-05 2.886e-05 -4.456 -4.540 -0.084 (0) - PbBr+ 9.794e-06 8.076e-06 -5.009 -5.093 -0.084 (0) - AgBr3-2 2.355e-06 1.089e-06 -5.628 -5.963 -0.335 (0) - CsBr 4.876e-07 4.876e-07 -6.312 -6.312 0.000 (0) - MnBr+ 2.906e-07 2.396e-07 -6.537 -6.621 -0.084 (0) - MgBr+ 1.920e-07 1.583e-07 -6.717 -6.801 -0.084 (0) - SmBr+2 1.470e-07 6.795e-08 -6.833 -7.168 -0.335 (0) - EuBr+2 1.422e-07 6.573e-08 -6.847 -7.182 -0.335 (0) - CdBr2 7.991e-08 7.991e-08 -7.097 -7.097 0.000 (0) - RbBr 2.283e-08 2.283e-08 -7.642 -7.642 0.000 (0) - PbBr2 6.159e-09 6.159e-09 -8.211 -8.211 0.000 (0) - PdBr3- 3.796e-10 3.131e-10 -9.421 -9.504 -0.084 (0) - PdBr2 1.328e-10 1.328e-10 -9.877 -9.877 0.000 (0) - CdBr3- 8.683e-11 7.160e-11 -10.061 -10.145 -0.084 (0) - PbBr3- 3.594e-11 2.963e-11 -10.444 -10.528 -0.084 (0) - EuBr2+ 1.753e-11 1.446e-11 -10.756 -10.840 -0.084 (0) - PdBr+ 1.717e-11 1.416e-11 -10.765 -10.849 -0.084 (0) - UO2Br+ 1.377e-11 1.136e-11 -10.861 -10.945 -0.084 (0) - PdBr4-2 7.461e-12 3.450e-12 -11.127 -11.462 -0.335 (0) - CrBr+2 5.276e-14 2.439e-14 -13.278 -13.613 -0.335 (0) - FeBr+2 8.494e-16 3.927e-16 -15.071 -15.406 -0.335 (0) - FeBr2+ 3.632e-19 2.995e-19 -18.440 -18.524 -0.084 (0) - HfBr+3 1.030e-22 1.816e-23 -21.987 -22.741 -0.754 (0) - PuBr+3 2.889e-24 5.093e-25 -23.539 -24.293 -0.754 (0) - NpBr+3 1.286e-26 2.266e-27 -25.891 -26.645 -0.754 (0) - SnBr+ 3.343e-36 2.756e-36 -35.476 -35.560 -0.084 (0) - UBr+3 1.229e-36 2.167e-37 -35.910 -36.664 -0.754 (0) - SnBr2 5.789e-39 5.789e-39 -38.237 -38.237 0.000 (0) - SnBr3- 0.000e+00 0.000e+00 -41.511 -41.595 -0.084 (0) - UO2BrO3+ 0.000e+00 0.000e+00 -90.621 -90.705 -0.084 (0) + Br- 5.882e-04 4.836e-04 -3.230 -3.316 -0.085 (0) + AgBr 1.592e-04 1.592e-04 -3.798 -3.798 0.000 (0) + AgBr2- 1.027e-04 8.443e-05 -3.988 -4.073 -0.085 (0) + CdBr+ 3.519e-05 2.893e-05 -4.454 -4.539 -0.085 (0) + PbBr+ 3.280e-06 2.697e-06 -5.484 -5.569 -0.085 (0) + AgBr3-2 2.406e-06 1.099e-06 -5.619 -5.959 -0.340 (0) + CsBr 5.000e-07 5.000e-07 -6.301 -6.301 0.000 (0) + MnBr+ 2.939e-07 2.416e-07 -6.532 -6.617 -0.085 (0) + MgBr+ 1.914e-07 1.573e-07 -6.718 -6.803 -0.085 (0) + SmBr+2 1.695e-07 7.743e-08 -6.771 -7.111 -0.340 (0) + EuBr+2 1.674e-07 7.650e-08 -6.776 -7.116 -0.340 (0) + CdBr2 8.052e-08 8.052e-08 -7.094 -7.094 0.000 (0) + RbBr 2.287e-08 2.287e-08 -7.641 -7.641 0.000 (0) + PbBr2 2.067e-09 2.067e-09 -8.685 -8.685 0.000 (0) + PdBr3- 1.971e-10 1.620e-10 -9.705 -9.790 -0.085 (0) + CdBr3- 8.820e-11 7.251e-11 -10.055 -10.140 -0.085 (0) + PdBr2 6.840e-11 6.840e-11 -10.165 -10.165 0.000 (0) + EuBr2+ 2.057e-11 1.691e-11 -10.687 -10.772 -0.085 (0) + UO2Br+ 1.223e-11 1.006e-11 -10.913 -10.998 -0.085 (0) + PbBr3- 1.216e-11 9.996e-12 -10.915 -11.000 -0.085 (0) + PdBr+ 8.819e-12 7.253e-12 -11.055 -11.139 -0.085 (0) + PdBr4-2 3.928e-12 1.795e-12 -11.406 -11.746 -0.340 (0) + CrBr+2 5.369e-14 2.453e-14 -13.270 -13.610 -0.340 (0) + FeBr+2 1.248e-16 5.702e-17 -15.904 -16.244 -0.340 (0) + FeBr2+ 5.316e-20 4.370e-20 -19.274 -19.359 -0.085 (0) + HfBr+3 1.064e-22 1.826e-23 -21.973 -22.739 -0.766 (0) + PuBr+3 2.978e-24 5.111e-25 -23.526 -24.292 -0.765 (0) + NpBr+3 1.319e-26 2.263e-27 -25.880 -26.645 -0.766 (0) + SnBr+ 3.370e-36 2.770e-36 -35.472 -35.557 -0.085 (0) + UBr+3 1.118e-36 1.919e-37 -35.951 -36.717 -0.766 (0) + SnBr2 5.848e-39 5.848e-39 -38.233 -38.233 0.000 (0) + SnBr3- 0.000e+00 0.000e+00 -41.504 -41.588 -0.085 (0) C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -72.045 -72.045 0.000 (0) + CH4 0.000e+00 0.000e+00 -72.018 -72.018 0.000 (0) + CH3HgOH 0.000e+00 0.000e+00 -73.640 -73.640 0.000 (0) + CH3HgCl 0.000e+00 0.000e+00 -73.784 -73.784 0.000 (0) + CH3Hg+ 0.000e+00 0.000e+00 -76.025 -76.110 -0.085 (0) + CH3HgSO4- 0.000e+00 0.000e+00 -77.079 -77.164 -0.085 (0) + CH3HgCO3- 0.000e+00 0.000e+00 -77.874 -77.959 -0.085 (0) + CH3HgHCO3 0.000e+00 0.000e+00 -78.129 -78.129 0.000 (0) + CH3- 0.000e+00 0.000e+00 -110.933 -111.018 -0.085 (0) + (CH3)2Hg 0.000e+00 0.000e+00 -125.128 -125.128 0.000 (0) + CH3HgSH 0.000e+00 0.000e+00 -126.613 -126.613 0.000 (0) + CH3HgS- 0.000e+00 0.000e+00 -130.028 -130.113 -0.085 (0) + (CH3Hg)2OH+ 0.000e+00 0.000e+00 -147.286 -147.371 -0.085 (0) C(4) 1.000e-03 - FeCO3OH 5.449e-04 5.449e-04 -3.264 -3.264 0.000 (0) - (UO2)2(CO3)(OH)3- 1.968e-04 1.623e-04 -3.706 -3.790 -0.084 (0) - Eu(CO3)+ 4.304e-05 3.550e-05 -4.366 -4.450 -0.084 (0) - Ho(CO3)+ 4.186e-05 3.453e-05 -4.378 -4.462 -0.084 (0) - Am(CO3)+ 4.153e-05 3.425e-05 -4.382 -4.465 -0.084 (0) - CmCO3+ 4.067e-05 3.356e-05 -4.391 -4.474 -0.083 (0) - Sm(CO3)+ 3.701e-05 3.053e-05 -4.432 -4.515 -0.084 (0) - Pb(CO3) 1.949e-05 1.949e-05 -4.710 -4.710 0.000 (0) - HCO3- 1.508e-05 1.244e-05 -4.821 -4.905 -0.084 (0) - Mn(CO3) 6.792e-06 6.792e-06 -5.168 -5.168 0.000 (0) - CO2 2.786e-06 2.786e-06 -5.555 -5.555 0.000 (0) - Am(HCO3)+2 2.510e-06 1.161e-06 -5.600 -5.935 -0.335 (0) - CmHCO3+2 2.460e-06 1.137e-06 -5.609 -5.944 -0.335 (0) - UO2(CO3) 7.211e-07 7.211e-07 -6.142 -6.142 0.000 (0) - CoHCO3+ 5.282e-07 4.356e-07 -6.277 -6.361 -0.084 (0) - NpO2(CO3)- 5.263e-07 4.338e-07 -6.279 -6.363 -0.084 (0) - Fe(CO3) 4.749e-07 4.749e-07 -6.323 -6.323 0.000 (0) - Th(OH)3(CO3)- 3.644e-07 3.005e-07 -6.438 -6.522 -0.084 (0) - Sm(HCO3)+2 2.817e-07 1.302e-07 -6.550 -6.885 -0.335 (0) - Eu(HCO3)+2 2.602e-07 1.203e-07 -6.585 -6.920 -0.335 (0) - Ho(HCO3)+2 2.361e-07 1.092e-07 -6.627 -6.962 -0.335 (0) - Cd(HCO3)+ 1.979e-07 1.632e-07 -6.704 -6.787 -0.084 (0) - Ni(HCO3)+ 1.551e-07 1.279e-07 -6.809 -6.893 -0.084 (0) - Cr(OH)CO3 1.229e-07 1.229e-07 -6.910 -6.910 0.000 (0) - Cd(CO3) 1.210e-07 1.210e-07 -6.917 -6.917 0.000 (0) - Mn(HCO3)+ 1.061e-07 8.750e-08 -6.974 -7.058 -0.084 (0) - Sr(HCO3)+ 1.035e-07 8.533e-08 -6.985 -7.069 -0.084 (0) - Ca(HCO3)+ 8.353e-08 6.887e-08 -7.078 -7.162 -0.084 (0) - Mg(HCO3)+ 7.512e-08 6.194e-08 -7.124 -7.208 -0.084 (0) - FeHCO3+ 6.923e-08 5.709e-08 -7.160 -7.243 -0.084 (0) - Ba(HCO3)+ 6.354e-08 5.239e-08 -7.197 -7.281 -0.084 (0) - Ho(CO3)2- 4.862e-08 4.008e-08 -7.313 -7.397 -0.084 (0) - Th(OH)2(CO3) 4.765e-08 4.765e-08 -7.322 -7.322 0.000 (0) - CoCO3 4.457e-08 4.457e-08 -7.351 -7.351 0.000 (0) - UO2(CO3)2-2 4.245e-08 1.962e-08 -7.372 -7.707 -0.335 (0) - Ni(CO3) 3.776e-08 3.776e-08 -7.423 -7.423 0.000 (0) - Ra(HCO3)+ 2.570e-08 2.119e-08 -7.590 -7.674 -0.084 (0) - Eu(CO3)2- 2.506e-08 2.066e-08 -7.601 -7.685 -0.084 (0) - Sm(CO3)2- 2.155e-08 1.776e-08 -7.667 -7.751 -0.084 (0) - CO3-2 1.259e-08 5.818e-09 -7.900 -8.235 -0.335 (0) - Am(CO3)2- 1.212e-08 9.988e-09 -7.917 -8.001 -0.084 (0) - Cm(CO3)2- 1.186e-08 9.788e-09 -7.926 -8.009 -0.083 (0) - Pu(CO3)2(OH)2-2 1.119e-08 5.173e-09 -7.951 -8.286 -0.335 (0) - Np(CO3)(OH)3- 6.178e-09 5.093e-09 -8.209 -8.293 -0.084 (0) - Na(HCO3) 5.768e-09 5.768e-09 -8.239 -8.239 0.000 (0) - CaCO3 4.247e-09 4.247e-09 -8.372 -8.372 0.000 (0) - CaUO2(CO3)3-2 4.035e-09 1.865e-09 -8.394 -8.729 -0.335 (0) - Hf(CO3)4-4 3.135e-09 1.432e-10 -8.504 -9.844 -1.340 (0) - Ca2UO2(CO3)3 2.717e-09 2.717e-09 -8.566 -8.566 0.000 (0) - Mg(CO3) 2.523e-09 2.523e-09 -8.598 -8.598 0.000 (0) - Sr(CO3) 1.703e-09 1.703e-09 -8.769 -8.769 0.000 (0) - Ba(CO3) 1.316e-09 1.316e-09 -8.881 -8.881 0.000 (0) - Th(OH)2(CO3)2-2 1.197e-09 5.532e-10 -8.922 -9.257 -0.335 (0) - FeCO3OH- 1.097e-09 9.042e-10 -8.960 -9.044 -0.084 (0) - Cr(OH)(CO3)2-2 8.305e-10 3.840e-10 -9.081 -9.416 -0.335 (0) - Ra(CO3) 8.057e-10 8.057e-10 -9.094 -9.094 0.000 (0) - UO2(CO3)3-4 4.243e-10 1.939e-11 -9.372 -10.712 -1.340 (0) - Pu(CO3)+ 4.010e-10 3.307e-10 -9.397 -9.481 -0.084 (0) - Pb(CO3)2-2 3.308e-10 1.529e-10 -9.480 -9.816 -0.335 (0) - Na(CO3)- 1.083e-10 8.934e-11 -9.965 -10.049 -0.084 (0) - (UO2)3(CO3)(OH)3+ 9.273e-11 7.646e-11 -10.033 -10.117 -0.084 (0) - AgCO3- 6.586e-11 5.431e-11 -10.181 -10.265 -0.084 (0) - PuO2CO3- 8.769e-12 7.228e-12 -11.057 -11.141 -0.084 (0) - Th(OH)4(CO3)-2 8.178e-12 3.780e-12 -11.087 -11.422 -0.335 (0) - Np(OH)4(CO3)-2 2.465e-12 1.139e-12 -11.608 -11.943 -0.335 (0) - Np(OH)2(CO3)2-2 1.436e-12 6.638e-13 -11.843 -12.178 -0.335 (0) - NpO2(CO3)2-3 5.324e-13 9.377e-14 -12.274 -13.028 -0.754 (0) - Fe(CO3)2-2 3.439e-13 1.590e-13 -12.464 -12.799 -0.335 (0) - Fe(CO3)3-3 3.162e-13 5.574e-14 -12.500 -13.254 -0.754 (0) - Pu(CO3)2- 1.854e-13 1.529e-13 -12.732 -12.816 -0.084 (0) - Cd(CO3)2-2 9.608e-14 4.442e-14 -13.017 -13.352 -0.335 (0) - Sm(CO3)3-3 5.866e-14 1.033e-14 -13.232 -13.986 -0.754 (0) - Eu(CO3)3-3 5.418e-14 9.546e-15 -13.266 -14.020 -0.754 (0) - Ni(CO3)2-2 4.751e-14 2.197e-14 -13.323 -13.658 -0.335 (0) - Ho(CO3)3-3 4.185e-14 7.374e-15 -13.378 -14.132 -0.754 (0) - Am(CO3)3-3 3.298e-14 5.811e-15 -13.482 -14.236 -0.754 (0) - Cm(CO3)3-3 3.230e-14 5.695e-15 -13.491 -14.245 -0.754 (0) - Pd(CO3) 1.966e-15 1.966e-15 -14.706 -14.706 0.000 (0) - Cr(OH)4(CO3)-3 1.421e-15 2.504e-16 -14.848 -15.601 -0.754 (0) - (UO2)11(CO3)6(OH)12-2 1.085e-15 5.015e-16 -14.965 -15.300 -0.335 (0) - (UO2)3(CO3)6-6 1.156e-16 1.117e-19 -15.937 -18.952 -3.015 (0) - Pu(CO3)3-3 3.657e-17 6.443e-18 -16.437 -17.191 -0.754 (0) - NpO2(CO3)2OH-4 2.967e-17 1.355e-18 -16.528 -17.868 -1.341 (0) - Tc(OH)2CO3 2.352e-17 2.352e-17 -16.629 -16.629 0.000 (0) - Pd(CO3)2-2 1.240e-17 5.732e-18 -16.907 -17.242 -0.335 (0) - Pu(CO3)4-4 6.669e-18 3.047e-19 -17.176 -18.516 -1.340 (0) - NpO2(CO3) 2.555e-18 2.555e-18 -17.593 -17.593 0.000 (0) - Th(OH)(CO3)4-5 1.468e-18 1.182e-20 -17.833 -19.927 -2.094 (0) - Tc(OH)3CO3- 1.429e-18 1.178e-18 -17.845 -17.929 -0.084 (0) - Ag(CO3)2-3 5.290e-19 9.325e-20 -18.277 -19.030 -0.754 (0) - NpO2(CO3)2-2 5.095e-19 2.355e-19 -18.293 -18.628 -0.335 (0) - PuO2(CO3) 2.624e-19 2.624e-19 -18.581 -18.581 0.000 (0) - Zr(CO3)4-4 2.002e-20 9.149e-22 -19.698 -21.039 -1.340 (0) - Np(CO3)4-4 1.594e-20 7.281e-22 -19.798 -21.138 -1.340 (0) - NpO2(CO3)3-5 6.329e-21 5.092e-23 -20.199 -22.293 -2.094 (0) - NpO2(CO3)(OH)2-2 5.393e-21 2.493e-21 -20.268 -20.603 -0.335 (0) - PuO2(CO3)2-2 5.243e-22 2.420e-22 -21.280 -21.616 -0.336 (0) - NpO2(CO3)3-4 2.125e-23 9.702e-25 -22.673 -24.013 -1.341 (0) - Th(CO3)5-6 1.792e-23 1.729e-26 -22.747 -25.762 -3.016 (0) - Pu(CO3)5-6 8.201e-26 7.918e-29 -25.086 -28.101 -3.015 (0) - PuO2(CO3)3-4 6.151e-26 2.809e-27 -25.211 -26.551 -1.340 (0) - PuO2(CO3)3-5 2.472e-26 1.989e-28 -25.607 -27.701 -2.094 (0) - Np(CO3)+ 2.195e-26 1.810e-26 -25.659 -25.742 -0.084 (0) - UO2(CO3)3-5 9.377e-27 7.543e-29 -26.028 -28.122 -2.095 (0) - (UO2)2(NpO2)(CO3)6-6 6.649e-28 6.421e-31 -27.177 -30.192 -3.015 (0) - (NpO2)2CO3(OH)3- 4.196e-28 3.460e-28 -27.377 -27.461 -0.084 (0) - Np(CO3)5-6 3.734e-28 3.605e-31 -27.428 -30.443 -3.015 (0) - PuO2(CO3)6(UO2)2-6 3.504e-29 3.383e-32 -28.455 -31.471 -3.015 (0) - Np(CO3)2- 1.087e-29 8.964e-30 -28.964 -29.047 -0.084 (0) - AmO2(CO3)- 2.806e-30 2.313e-30 -29.552 -29.636 -0.084 (0) - U(CO3)4-4 5.164e-32 2.359e-33 -31.287 -32.627 -1.340 (0) - CO 2.318e-33 2.318e-33 -32.635 -32.635 0.000 (0) - Np(CO3)3-3 3.399e-34 5.988e-35 -33.469 -34.223 -0.754 (0) - AmO2(CO3)2-3 3.042e-36 5.358e-37 -35.517 -36.271 -0.754 (0) - U(CO3)5-6 1.079e-39 0.000e+00 -38.967 -41.982 -3.016 (0) - Am(CO3)5-6 0.000e+00 0.000e+00 -43.391 -46.406 -3.016 (0) - AmO2(CO3)3-5 0.000e+00 0.000e+00 -44.012 -46.106 -2.094 (0) - (NpO2)3(CO3)6-6 0.000e+00 0.000e+00 -52.588 -55.604 -3.016 (0) - (PuO2)3(CO3)6-6 0.000e+00 0.000e+00 -59.913 -62.929 -3.016 (0) + (UO2)2(CO3)(OH)3- 2.962e-04 2.435e-04 -3.528 -3.614 -0.085 (0) + Fe(OH)CO3 1.326e-04 1.326e-04 -3.877 -3.877 0.000 (0) + Ho(CO3)+ 1.134e-04 9.324e-05 -3.945 -4.030 -0.085 (0) + Eu(CO3)+ 9.670e-05 7.952e-05 -4.015 -4.100 -0.085 (0) + Am(CO3)+ 8.367e-05 6.882e-05 -4.077 -4.162 -0.085 (0) + Cm(CO3)+ 8.327e-05 6.849e-05 -4.079 -4.164 -0.085 (0) + Sm(CO3)+ 8.141e-05 6.695e-05 -4.089 -4.174 -0.085 (0) + HCO3- 2.927e-05 2.406e-05 -4.534 -4.619 -0.085 (0) + Be(OH)(CO3)- 1.453e-05 1.194e-05 -4.838 -4.923 -0.085 (0) + Mn(CO3) 1.318e-05 1.318e-05 -4.880 -4.880 0.000 (0) + Pb(CO3) 1.252e-05 1.252e-05 -4.902 -4.902 0.000 (0) + BeCO3 6.271e-06 6.271e-06 -5.203 -5.203 0.000 (0) + CO2 5.390e-06 5.390e-06 -5.268 -5.268 0.000 (0) + Am(HCO3)+2 5.105e-06 2.332e-06 -5.292 -5.632 -0.340 (0) + CmHCO3+2 5.080e-06 2.321e-06 -5.294 -5.634 -0.340 (0) + CuCO3 3.819e-06 3.819e-06 -5.418 -5.418 0.000 (0) + Be(OH)2(CO3)-2 3.365e-06 1.537e-06 -5.473 -5.813 -0.340 (0) + UO2(CO3) 1.228e-06 1.228e-06 -5.911 -5.911 0.000 (0) + Pu(OH)2(CO3)2-2 1.192e-06 5.446e-07 -5.924 -6.264 -0.340 (0) + NpO2(CO3)- 1.014e-06 8.335e-07 -5.994 -6.079 -0.085 (0) + CoHCO3+ 1.013e-06 8.329e-07 -5.994 -6.079 -0.085 (0) + Th(OH)3(CO3)- 6.986e-07 5.743e-07 -6.156 -6.241 -0.085 (0) + Be6(OH)5(CO3)2+3 6.799e-07 1.168e-07 -6.168 -6.933 -0.765 (0) + Ho(HCO3)+2 6.454e-07 2.948e-07 -6.190 -6.530 -0.340 (0) + Sm(HCO3)+2 6.251e-07 2.856e-07 -6.204 -6.544 -0.340 (0) + Eu(HCO3)+2 5.898e-07 2.695e-07 -6.229 -6.570 -0.340 (0) + Cd(HCO3)+ 3.829e-07 3.150e-07 -6.417 -6.502 -0.085 (0) + Ni(HCO3)+ 2.979e-07 2.450e-07 -6.526 -6.611 -0.085 (0) + Be5(OH)4(CO3)+4 2.826e-07 1.231e-08 -6.549 -7.910 -1.361 (0) + Ho(CO3)2- 2.548e-07 2.094e-07 -6.594 -6.679 -0.085 (0) + Cr(OH)CO3 2.378e-07 2.378e-07 -6.624 -6.624 0.000 (0) + Cd(CO3) 2.335e-07 2.335e-07 -6.632 -6.632 0.000 (0) + Mn(HCO3)+ 2.065e-07 1.698e-07 -6.685 -6.770 -0.085 (0) + Sr(HCO3)+ 1.985e-07 1.632e-07 -6.702 -6.787 -0.085 (0) + UO2CO3F- 1.707e-07 1.403e-07 -6.768 -6.853 -0.085 (0) + Ca(HCO3)+ 1.603e-07 1.318e-07 -6.795 -6.880 -0.085 (0) + Mg(HCO3)+ 1.441e-07 1.185e-07 -6.841 -6.926 -0.085 (0) + UO2(CO3)2-2 1.416e-07 6.466e-08 -6.849 -7.189 -0.340 (0) + CuHCO3+ 1.222e-07 1.005e-07 -6.913 -6.998 -0.085 (0) + Ba(HCO3)+ 1.220e-07 1.003e-07 -6.914 -6.999 -0.085 (0) + Eu(CO3)2- 1.089e-07 8.950e-08 -6.963 -7.048 -0.085 (0) + Sm(CO3)2- 9.168e-08 7.535e-08 -7.038 -7.123 -0.085 (0) + Th(OH)2(CO3) 9.107e-08 9.107e-08 -7.041 -7.041 0.000 (0) + CoCO3 8.523e-08 8.523e-08 -7.069 -7.069 0.000 (0) + Ni(CO3) 7.230e-08 7.230e-08 -7.141 -7.141 0.000 (0) + FeCO3 5.531e-08 5.531e-08 -7.257 -7.257 0.000 (0) + Ra(HCO3)+ 4.937e-08 4.059e-08 -7.307 -7.392 -0.085 (0) + Am(CO3)2- 4.721e-08 3.882e-08 -7.326 -7.411 -0.085 (0) + Cm(CO3)2- 4.699e-08 3.864e-08 -7.328 -7.413 -0.085 (0) + Hf(CO3)4-4 4.604e-08 2.006e-09 -7.337 -8.698 -1.361 (0) + CO3-2 2.464e-08 1.125e-08 -7.608 -7.949 -0.340 (0) + Ca2UO2(CO3)3 2.133e-08 2.133e-08 -7.671 -7.671 0.000 (0) + CaUO2(CO3)3-2 1.701e-08 7.771e-09 -7.769 -8.110 -0.340 (0) + Na(HCO3) 1.112e-08 1.112e-08 -7.954 -7.954 0.000 (0) + CaCO3 8.125e-09 8.125e-09 -8.090 -8.090 0.000 (0) + Be3(OH)(CO3)+3 6.526e-09 1.120e-09 -8.185 -8.951 -0.766 (0) + Mg(CO3) 4.827e-09 4.827e-09 -8.316 -8.316 0.000 (0) + Th(OH)2(CO3)2-2 4.478e-09 2.045e-09 -8.349 -8.689 -0.340 (0) + Sr(CO3) 3.257e-09 3.257e-09 -8.487 -8.487 0.000 (0) + Cr(OH)(CO3)2-2 3.146e-09 1.437e-09 -8.502 -8.842 -0.340 (0) + UO2(CO3)3-4 2.838e-09 1.236e-10 -8.547 -9.908 -1.361 (0) + MgUO2(CO3)3-2 2.783e-09 1.271e-09 -8.555 -8.896 -0.340 (0) + Ba(CO3) 2.520e-09 2.520e-09 -8.599 -8.599 0.000 (0) + Ba2UO2(CO3)3 1.915e-09 1.915e-09 -8.718 -8.718 0.000 (0) + Sr2UO2(CO3)3 1.798e-09 1.798e-09 -8.745 -8.745 0.000 (0) + Ra(CO3) 1.543e-09 1.543e-09 -8.812 -8.812 0.000 (0) + SrUO2(CO3)3-2 1.392e-09 6.359e-10 -8.856 -9.197 -0.340 (0) + Pu(CO3)+ 7.767e-10 6.387e-10 -9.110 -9.195 -0.085 (0) + BaUO2(CO3)3-2 6.797e-10 3.105e-10 -9.168 -9.508 -0.340 (0) + UO2CO3F2-2 4.520e-10 2.065e-10 -9.345 -9.685 -0.340 (0) + Pb(CO3)2-2 4.161e-10 1.901e-10 -9.381 -9.721 -0.340 (0) + Cu(CO3)2-2 3.338e-10 1.525e-10 -9.476 -9.817 -0.340 (0) + Np(OH)2(CO3)2-2 3.037e-10 1.388e-10 -9.518 -9.858 -0.340 (0) + Hg(OH)CO3- 2.365e-10 1.944e-10 -9.626 -9.711 -0.085 (0) + Na(CO3)- 2.096e-10 1.723e-10 -9.679 -9.764 -0.085 (0) + AgCO3- 1.270e-10 1.044e-10 -9.896 -9.981 -0.085 (0) + (UO2)3(CO3)(OH)3+ 1.229e-10 1.010e-10 -9.910 -9.996 -0.085 (0) + Be3(OH)3(CO3)3-3 3.067e-11 5.263e-12 -10.513 -11.279 -0.766 (0) + Hg(CO3) 2.686e-11 2.686e-11 -10.571 -10.571 0.000 (0) + Th(OH)4(CO3)-2 1.582e-11 7.225e-12 -10.801 -11.141 -0.340 (0) + PuO2(CO3)- 1.380e-11 1.134e-11 -10.860 -10.945 -0.085 (0) + Be3(OH)4(CO3)3-4 1.264e-11 5.507e-13 -10.898 -12.259 -1.361 (0) + Mg2UO2(CO3)3 4.535e-12 4.535e-12 -11.343 -11.343 0.000 (0) + NpO2(CO3)2-3 2.033e-12 3.485e-13 -11.692 -12.458 -0.766 (0) + Pu(CO3)2- 6.948e-13 5.710e-13 -12.158 -12.243 -0.085 (0) + Sm(CO3)3-3 4.945e-13 8.480e-14 -12.306 -13.072 -0.766 (0) + Eu(CO3)3-3 4.666e-13 8.001e-14 -12.331 -13.097 -0.766 (0) + Ho(CO3)3-3 4.345e-13 7.452e-14 -12.362 -13.128 -0.766 (0) + Cd(CO3)2-2 3.629e-13 1.658e-13 -12.440 -12.780 -0.340 (0) + Am(CO3)3-3 2.546e-13 4.369e-14 -12.594 -13.360 -0.765 (0) + Cm(CO3)3-3 2.534e-13 4.348e-14 -12.596 -13.362 -0.765 (0) + Fe(CO3)3-3 1.955e-13 3.354e-14 -12.709 -13.474 -0.766 (0) + Ni(CO3)2-2 1.781e-13 8.137e-14 -12.749 -13.090 -0.340 (0) + UO2CO3F3-3 1.542e-13 2.647e-14 -12.812 -13.577 -0.766 (0) + Fe(CO3)2-2 8.024e-14 3.666e-14 -13.096 -13.436 -0.340 (0) + Hg(HCO3)+ 6.984e-14 5.741e-14 -13.156 -13.241 -0.085 (0) + (UO2)11(CO3)6(OH)12-2 1.327e-14 6.061e-15 -13.877 -14.217 -0.340 (0) + (UO2)3(CO3)6-6 4.610e-15 3.999e-18 -14.336 -17.398 -3.062 (0) + Cr(OH)4(CO3)-3 2.824e-15 4.846e-16 -14.549 -15.315 -0.766 (0) + Pd(CO3) 1.938e-15 1.938e-15 -14.713 -14.713 0.000 (0) + TcCO3(OH)2 2.437e-16 2.437e-16 -15.613 -15.613 0.000 (0) + NpO2(CO3)2OH-4 1.157e-16 5.035e-18 -15.937 -17.298 -1.361 (0) + Pu(CO3)4-4 9.780e-17 4.259e-18 -16.010 -17.371 -1.361 (0) + Pd(CO3)2-2 2.393e-17 1.093e-17 -16.621 -16.961 -0.340 (0) + Th(OH)(CO3)4-5 2.190e-17 1.636e-19 -16.660 -18.786 -2.127 (0) + Pu(CO3)3-3 1.713e-17 2.938e-18 -16.766 -17.532 -0.766 (0) + NpO2CO3 1.702e-17 1.702e-17 -16.769 -16.769 0.000 (0) + PuO2(CO3)2-3 1.519e-17 2.607e-18 -16.818 -17.584 -0.766 (0) + TcCO3(OH)3- 1.485e-17 1.221e-17 -16.828 -16.913 -0.085 (0) + Ag(CO3)2-3 2.022e-18 3.469e-19 -17.694 -18.460 -0.766 (0) + PuO2(CO3) 5.067e-19 5.067e-19 -18.295 -18.295 0.000 (0) + Zr(CO3)4-4 2.941e-19 1.281e-20 -18.531 -19.892 -1.361 (0) + Np(CO3)4-4 2.326e-19 1.013e-20 -18.633 -19.995 -1.361 (0) + NpO2(CO3)2-2 5.788e-20 2.644e-20 -19.237 -19.578 -0.340 (0) + NpO2(CO3)3-5 4.904e-20 3.661e-22 -19.309 -21.436 -2.127 (0) + NpO2(CO3)(OH)2-2 1.049e-20 4.790e-21 -19.979 -20.320 -0.340 (0) + PuO2(CO3)2-2 1.982e-21 9.038e-22 -20.703 -21.044 -0.341 (0) + NpO2(CO3)3-4 5.432e-22 2.364e-23 -21.265 -22.626 -1.361 (0) + Th(CO3)5-6 5.342e-22 4.627e-25 -21.272 -24.335 -3.062 (0) + U(OH)2(CO3)2-2 8.728e-23 3.987e-23 -22.059 -22.399 -0.340 (0) + Pu(CO3)5-6 2.470e-24 2.141e-27 -23.607 -26.669 -3.062 (0) + PuO2(CO3)3-5 7.318e-25 5.463e-27 -24.136 -26.263 -2.127 (0) + PuO2(CO3)3-4 4.662e-25 2.030e-26 -24.331 -25.693 -1.361 (0) + UO2(CO3)3-5 6.443e-26 4.808e-28 -25.191 -27.318 -2.127 (0) + Np(CO3)+ 4.231e-26 3.479e-26 -25.374 -25.459 -0.085 (0) + (UO2)2(NpO2)(CO3)6-6 2.989e-26 2.592e-29 -25.524 -28.586 -3.062 (0) + Np(CO3)5-6 1.119e-26 9.701e-30 -25.951 -29.013 -3.062 (0) + (NpO2)2CO3(OH)3- 9.880e-27 8.122e-27 -26.005 -26.090 -0.085 (0) + PuO2(CO3)6(UO2)2-6 1.583e-27 1.372e-30 -26.801 -29.863 -3.062 (0) + Np(CO3)2- 4.055e-29 3.333e-29 -28.392 -28.477 -0.085 (0) + AmO2(CO3)- 5.655e-30 4.647e-30 -29.248 -29.333 -0.085 (0) + U(CO3)4-4 6.682e-31 2.910e-32 -30.175 -31.536 -1.361 (0) + CO 4.486e-33 4.486e-33 -32.348 -32.348 0.000 (0) + Np(CO3)3-3 2.511e-33 4.307e-34 -32.600 -33.366 -0.766 (0) + AmO2(CO3)2-3 1.214e-35 2.082e-36 -34.916 -35.681 -0.766 (0) + U(CO3)5-6 2.868e-38 0.000e+00 -37.542 -40.605 -3.062 (0) + Am(CO3)5-6 0.000e+00 0.000e+00 -41.895 -44.957 -3.062 (0) + AmO2(CO3)3-5 0.000e+00 0.000e+00 -43.103 -45.230 -2.127 (0) + (NpO2)3(CO3)6-6 0.000e+00 0.000e+00 -49.241 -52.303 -3.063 (0) + (PuO2)3(CO3)6-6 0.000e+00 0.000e+00 -53.169 -56.232 -3.063 (0) + CH3HgCO3- 0.000e+00 0.000e+00 -77.874 -77.959 -0.085 (0) + CH3HgHCO3 0.000e+00 0.000e+00 -78.129 -78.129 0.000 (0) Ca 1.000e-03 - Ca+2 9.510e-04 4.398e-04 -3.022 -3.357 -0.335 (0) - Ca(HAsO4) 2.497e-05 2.497e-05 -4.602 -4.602 0.000 (0) - Ca(SO4) 1.869e-05 1.869e-05 -4.728 -4.728 0.000 (0) - Ca(H2AsO4)+ 2.827e-06 2.331e-06 -5.549 -5.632 -0.084 (0) - Ca(AsO4)- 2.245e-06 1.851e-06 -5.649 -5.732 -0.084 (0) - CaF+ 9.716e-08 8.012e-08 -7.012 -7.096 -0.084 (0) - Ca(HPO4) 8.693e-08 8.693e-08 -7.061 -7.061 0.000 (0) - Ca(HCO3)+ 8.353e-08 6.887e-08 -7.078 -7.162 -0.084 (0) - CaB(OH)4+ 1.759e-08 1.451e-08 -7.755 -7.838 -0.084 (0) - Ca(H2PO4)+ 7.997e-09 6.594e-09 -8.097 -8.181 -0.084 (0) - CaCO3 4.247e-09 4.247e-09 -8.372 -8.372 0.000 (0) - CaUO2(CO3)3-2 4.035e-09 1.865e-09 -8.394 -8.729 -0.335 (0) - CaI+ 3.804e-09 3.137e-09 -8.420 -8.504 -0.084 (0) - Ca2UO2(CO3)3 2.717e-09 2.717e-09 -8.566 -8.566 0.000 (0) - Ca(PO4)- 2.471e-09 2.038e-09 -8.607 -8.691 -0.084 (0) - Ca(NH3)+2 9.475e-10 4.381e-10 -9.023 -9.358 -0.335 (0) - Ca(OH)+ 8.846e-10 7.294e-10 -9.053 -9.137 -0.084 (0) - Ca(H3SiO4)+ 2.825e-10 2.329e-10 -9.549 -9.633 -0.084 (0) - Ca(Sm(OH)3)+2 3.957e-13 1.830e-13 -12.403 -12.738 -0.335 (0) - Ca(Eu(OH)3)+2 3.655e-13 1.690e-13 -12.437 -12.772 -0.335 (0) - Ca(Am(OH)3)+2 3.527e-13 1.631e-13 -12.453 -12.788 -0.335 (0) - Ca(Cm(OH)3)+2 3.456e-13 1.598e-13 -12.461 -12.796 -0.335 (0) - Ca(Ho(OH)3)+2 2.824e-13 1.305e-13 -12.549 -12.884 -0.335 (0) - CaI2 1.121e-14 1.121e-14 -13.950 -13.950 0.000 (0) - Ca(NH3)2+2 2.985e-16 1.380e-16 -15.525 -15.860 -0.335 (0) - CaCrO4 1.310e-16 1.310e-16 -15.883 -15.883 0.000 (0) - Ca(SeO4) 7.773e-20 7.773e-20 -19.109 -19.109 0.000 (0) - Ca2(Sm(OH)4)+3 5.743e-20 1.012e-20 -19.241 -19.995 -0.754 (0) - Ca2(Eu(OH)4)+3 5.305e-20 9.351e-21 -19.275 -20.029 -0.754 (0) - Ca2(Am(OH)4)+3 5.118e-20 9.022e-21 -19.291 -20.045 -0.754 (0) - Ca2(Cm(OH)4)+3 5.016e-20 8.842e-21 -19.300 -20.053 -0.754 (0) - Ca2(Ho(OH)4)+3 4.098e-20 7.223e-21 -19.387 -20.141 -0.754 (0) - Ca(NH3)3+2 5.932e-23 2.743e-23 -22.227 -22.562 -0.335 (0) - Ca(NH3)4+2 5.909e-30 2.732e-30 -29.229 -29.564 -0.335 (0) - Ca3(Sm(OH)6)+3 7.977e-33 1.406e-33 -32.098 -32.852 -0.754 (0) - Ca3(Eu(OH)6)+3 7.368e-33 1.299e-33 -32.133 -32.886 -0.754 (0) - Ca3(Am(OH)6)+3 7.109e-33 1.253e-33 -32.148 -32.902 -0.754 (0) - Ca3(Cm(OH)6)+3 6.967e-33 1.228e-33 -32.157 -32.911 -0.754 (0) - Ca3(Ho(OH)6)+3 5.692e-33 1.003e-33 -32.245 -32.999 -0.754 (0) - Ca4Th(OH)8+4 1.678e-35 7.667e-37 -34.775 -36.115 -1.340 (0) - Ca(IO3)+ 0.000e+00 0.000e+00 -53.720 -53.804 -0.084 (0) - Ca(S2O3) 0.000e+00 0.000e+00 -72.259 -72.259 0.000 (0) + Ca+2 9.519e-04 4.350e-04 -3.021 -3.362 -0.340 (0) + Ca(HAsO4) 2.471e-05 2.471e-05 -4.607 -4.607 0.000 (0) + Ca(SO4) 1.797e-05 1.797e-05 -4.746 -4.746 0.000 (0) + Ca(H2AsO4)+ 2.805e-06 2.306e-06 -5.552 -5.637 -0.085 (0) + Ca(AsO4)- 2.228e-06 1.832e-06 -5.652 -5.737 -0.085 (0) + Ca(HCO3)+ 1.603e-07 1.318e-07 -6.795 -6.880 -0.085 (0) + CaF+ 9.148e-08 7.521e-08 -7.039 -7.124 -0.085 (0) + CaB(OH)4+ 2.342e-08 1.925e-08 -7.630 -7.715 -0.085 (0) + Ca2UO2(CO3)3 2.133e-08 2.133e-08 -7.671 -7.671 0.000 (0) + Ca(HPO4) 1.719e-08 1.719e-08 -7.765 -7.765 0.000 (0) + CaUO2(CO3)3-2 1.701e-08 7.771e-09 -7.769 -8.110 -0.340 (0) + CaCO3 8.125e-09 8.125e-09 -8.090 -8.090 0.000 (0) + CaI+ 3.783e-09 3.110e-09 -8.422 -8.507 -0.085 (0) + Ca(H2PO4)+ 1.587e-09 1.304e-09 -8.800 -8.885 -0.085 (0) + Ca(NH3)+2 1.103e-09 5.040e-10 -8.957 -9.298 -0.340 (0) + Ca(OH)+ 8.776e-10 7.215e-10 -9.057 -9.142 -0.085 (0) + Ca(PO4)- 4.903e-10 4.031e-10 -9.310 -9.395 -0.085 (0) + Ca(H3SiO4)+ 2.489e-10 2.046e-10 -9.604 -9.689 -0.085 (0) + Ca(Sm(OH)3)+2 4.490e-13 2.051e-13 -12.348 -12.688 -0.340 (0) + Ca(SeO4) 4.413e-13 4.413e-13 -12.355 -12.355 0.000 (0) + Ca(Eu(OH)3)+2 4.237e-13 1.936e-13 -12.373 -12.713 -0.340 (0) + Ca(Ho(OH)3)+2 3.946e-13 1.803e-13 -12.404 -12.744 -0.340 (0) + Ca(Am(OH)3)+2 3.666e-13 1.675e-13 -12.436 -12.776 -0.340 (0) + Ca(Cm(OH)3)+2 3.649e-13 1.667e-13 -12.438 -12.778 -0.340 (0) + Ca(NpO2(OH)2)+ 1.078e-13 8.862e-14 -12.967 -13.052 -0.085 (0) + CaI2 1.115e-14 1.115e-14 -13.953 -13.953 0.000 (0) + Ca(NH3)2+2 4.041e-16 1.846e-16 -15.393 -15.734 -0.340 (0) + CaCrO4 1.296e-16 1.296e-16 -15.887 -15.887 0.000 (0) + Ca2(Sm(OH)4)+3 6.543e-20 1.123e-20 -19.184 -19.950 -0.766 (0) + Ca2(Eu(OH)4)+3 6.174e-20 1.059e-20 -19.209 -19.975 -0.766 (0) + Ca2(Ho(OH)4)+3 5.750e-20 9.866e-21 -19.240 -20.006 -0.766 (0) + Ca2(Am(OH)4)+3 5.340e-20 9.168e-21 -19.272 -20.038 -0.765 (0) + Ca2(Cm(OH)4)+3 5.314e-20 9.124e-21 -19.275 -20.040 -0.765 (0) + Ca(NH3)3+2 9.341e-23 4.267e-23 -22.030 -22.370 -0.340 (0) + Ca(NH3)4+2 1.082e-29 4.944e-30 -28.966 -29.306 -0.340 (0) + Ca3(Sm(OH)6)+3 8.989e-33 1.542e-33 -32.046 -32.812 -0.766 (0) + Ca3(Eu(OH)6)+3 8.482e-33 1.455e-33 -32.072 -32.837 -0.766 (0) + Ca3(Ho(OH)6)+3 7.899e-33 1.355e-33 -32.102 -32.868 -0.766 (0) + Ca3(Am(OH)6)+3 7.341e-33 1.260e-33 -32.134 -32.900 -0.766 (0) + Ca3(Cm(OH)6)+3 7.305e-33 1.254e-33 -32.136 -32.902 -0.766 (0) + Ca3(NpO2(OH)5)+2 2.313e-33 1.056e-33 -32.636 -32.976 -0.340 (0) + Ca4Th(OH)8+4 1.665e-35 7.250e-37 -34.779 -36.140 -1.361 (0) + Ca4Pu(OH)8+4 2.326e-36 1.013e-37 -35.633 -36.994 -1.361 (0) + Ca(IO3)+ 0.000e+00 0.000e+00 -53.723 -53.808 -0.085 (0) + Ca(S2O3) 0.000e+00 0.000e+00 -72.828 -72.828 0.000 (0) Cd 1.000e-03 - Cd+2 8.973e-04 4.150e-04 -3.047 -3.382 -0.335 (0) - CdCl+ 3.564e-05 2.939e-05 -4.448 -4.532 -0.084 (0) - CdBr+ 3.500e-05 2.886e-05 -4.456 -4.540 -0.084 (0) - Cd(SO4) 2.025e-05 2.025e-05 -4.694 -4.694 0.000 (0) - CdHPO4 1.009e-05 1.009e-05 -4.996 -4.996 0.000 (0) - Cd(OH)+ 4.183e-07 3.450e-07 -6.378 -6.462 -0.084 (0) - Cd(NH3)+2 3.727e-07 1.723e-07 -6.429 -6.764 -0.335 (0) - CdI+ 3.198e-07 2.638e-07 -6.495 -6.579 -0.084 (0) - Cd(HCO3)+ 1.979e-07 1.632e-07 -6.704 -6.787 -0.084 (0) - Cd(CO3) 1.210e-07 1.210e-07 -6.917 -6.917 0.000 (0) - Cd(SO4)2-2 1.071e-07 4.950e-08 -6.970 -7.305 -0.335 (0) - CdCl2 9.299e-08 9.299e-08 -7.032 -7.032 0.000 (0) - CdBr2 7.991e-08 7.991e-08 -7.097 -7.097 0.000 (0) - Cd(H2PO4)+ 1.852e-08 1.527e-08 -7.732 -7.816 -0.084 (0) - Cd(NH3)2+2 1.046e-10 4.838e-11 -9.980 -10.315 -0.335 (0) - CdBr3- 8.683e-11 7.160e-11 -10.061 -10.145 -0.084 (0) - CdCl3- 5.526e-11 4.557e-11 -10.258 -10.341 -0.084 (0) - Cd(OH)2 5.218e-11 5.218e-11 -10.283 -10.283 0.000 (0) - CdI2 3.669e-11 3.669e-11 -10.436 -10.436 0.000 (0) - Cd(CO3)2-2 9.608e-14 4.442e-14 -13.017 -13.352 -0.335 (0) - CdCl4-2 8.788e-15 4.063e-15 -14.056 -14.391 -0.335 (0) - CdI3- 3.030e-15 2.499e-15 -14.519 -14.602 -0.084 (0) - Cd(NH3)3+2 1.507e-15 6.966e-16 -14.822 -15.157 -0.335 (0) - Cd(OH)3- 2.518e-16 2.076e-16 -15.599 -15.683 -0.084 (0) - Cd4(OH)4+4 5.511e-17 2.518e-18 -16.259 -17.599 -1.340 (0) - CdI4-2 1.932e-19 8.932e-20 -18.714 -19.049 -0.335 (0) - Cd(SeO4) 1.366e-19 1.366e-19 -18.865 -18.865 0.000 (0) - Cd(NH3)4+2 4.429e-20 2.048e-20 -19.354 -19.689 -0.335 (0) - Cd(OH)4-2 2.965e-23 1.371e-23 -22.528 -22.863 -0.335 (0) - Cd(NO3)+ 1.817e-24 1.499e-24 -23.741 -23.824 -0.084 (0) - Cd(NO3)2 0.000e+00 0.000e+00 -45.017 -45.017 0.000 (0) - CdHS+ 0.000e+00 0.000e+00 -60.909 -60.993 -0.084 (0) - Cd(S2O3) 0.000e+00 0.000e+00 -71.724 -71.724 0.000 (0) - Cd(HS)2 0.000e+00 0.000e+00 -118.934 -118.934 0.000 (0) + Cd+2 9.057e-04 4.139e-04 -3.043 -3.383 -0.340 (0) + CdCl+ 3.536e-05 2.907e-05 -4.452 -4.536 -0.085 (0) + CdBr+ 3.519e-05 2.893e-05 -4.454 -4.539 -0.085 (0) + Cd(SO4) 1.963e-05 1.963e-05 -4.707 -4.707 0.000 (0) + CdHPO4 2.013e-06 2.013e-06 -5.696 -5.696 0.000 (0) + Cd(NH3)+2 4.376e-07 1.999e-07 -6.359 -6.699 -0.340 (0) + Cd(OH)+ 4.185e-07 3.441e-07 -6.378 -6.463 -0.085 (0) + Cd(HCO3)+ 3.829e-07 3.150e-07 -6.417 -6.502 -0.085 (0) + CdI+ 3.208e-07 2.638e-07 -6.494 -6.579 -0.085 (0) + Cd(CO3) 2.335e-07 2.335e-07 -6.632 -6.632 0.000 (0) + Cd(SO4)2-2 1.021e-07 4.665e-08 -6.991 -7.331 -0.340 (0) + CdCl2 9.123e-08 9.123e-08 -7.040 -7.040 0.000 (0) + CdBr2 8.052e-08 8.052e-08 -7.094 -7.094 0.000 (0) + Cd(H2PO4)+ 3.706e-09 3.046e-09 -8.431 -8.516 -0.085 (0) + Cd(NH3)2+2 1.429e-10 6.527e-11 -9.845 -10.185 -0.340 (0) + CdBr3- 8.820e-11 7.251e-11 -10.055 -10.140 -0.085 (0) + CdCl3- 5.392e-11 4.433e-11 -10.268 -10.353 -0.085 (0) + Cd(OH)2 5.204e-11 5.204e-11 -10.284 -10.284 0.000 (0) + CdI2 3.763e-11 3.763e-11 -10.424 -10.424 0.000 (0) + Cd(SeO4) 7.819e-13 7.819e-13 -12.107 -12.107 0.000 (0) + Cd(CO3)2-2 3.629e-13 1.658e-13 -12.440 -12.780 -0.340 (0) + CdCl4-2 8.581e-15 3.920e-15 -14.066 -14.407 -0.340 (0) + CdI3- 3.055e-15 2.511e-15 -14.515 -14.600 -0.085 (0) + Cd(NH3)3+2 2.392e-15 1.093e-15 -14.621 -14.961 -0.340 (0) + Cd(OH)3- 2.518e-16 2.070e-16 -15.599 -15.684 -0.085 (0) + Cd4(OH)4+4 5.721e-17 2.492e-18 -16.243 -17.603 -1.361 (0) + CdI4-2 1.970e-19 9.000e-20 -18.706 -19.046 -0.340 (0) + Cd(NH3)4+2 8.179e-20 3.737e-20 -19.087 -19.428 -0.340 (0) + Cd(OH)4-2 2.992e-23 1.367e-23 -22.524 -22.864 -0.340 (0) + Cd(NO3)+ 2.661e-24 2.188e-24 -23.575 -23.660 -0.085 (0) + Cd(NO3)2 0.000e+00 0.000e+00 -44.687 -44.687 0.000 (0) + CdHS+ 0.000e+00 0.000e+00 -60.921 -61.006 -0.085 (0) + Cd(S2O3) 0.000e+00 0.000e+00 -71.740 -71.740 0.000 (0) + Cd(HS)2 0.000e+00 0.000e+00 -118.959 -118.959 0.000 (0) Cl 1.000e-03 - Cl- 9.159e-04 7.589e-04 -3.038 -3.120 -0.082 (0) - CdCl+ 3.564e-05 2.939e-05 -4.448 -4.532 -0.084 (0) - AgCl 2.693e-05 2.693e-05 -4.570 -4.570 0.000 (0) - PbCl+ 8.489e-06 7.000e-06 -5.071 -5.155 -0.084 (0) - AgCl2- 2.479e-06 2.044e-06 -5.606 -5.690 -0.084 (0) - CoCl+ 1.543e-06 1.272e-06 -5.812 -5.896 -0.084 (0) - MgCl+ 9.357e-07 7.716e-07 -6.029 -6.113 -0.084 (0) - EuCl+2 7.253e-07 3.355e-07 -6.139 -6.474 -0.335 (0) - SmCl+2 7.161e-07 3.312e-07 -6.145 -6.480 -0.335 (0) - SrCl+ 7.084e-07 5.842e-07 -6.150 -6.233 -0.084 (0) - MnCl+ 6.779e-07 5.590e-07 -6.169 -6.253 -0.084 (0) - HoCl+2 5.350e-07 2.475e-07 -6.272 -6.606 -0.335 (0) - CsCl 5.081e-07 5.081e-07 -6.294 -6.294 0.000 (0) - NiCl+ 4.530e-07 3.736e-07 -6.344 -6.428 -0.084 (0) - RaCl+ 3.202e-07 2.640e-07 -6.495 -6.578 -0.084 (0) - FeCl+ 2.117e-07 1.746e-07 -6.674 -6.758 -0.084 (0) - AmCl+2 2.113e-07 9.774e-08 -6.675 -7.010 -0.335 (0) - CmCl+2 2.071e-07 9.580e-08 -6.684 -7.019 -0.335 (0) - CdCl2 9.299e-08 9.299e-08 -7.032 -7.032 0.000 (0) - NpO2Cl 7.290e-08 7.290e-08 -7.137 -7.137 0.000 (0) - RbCl 6.114e-08 6.114e-08 -7.214 -7.214 0.000 (0) - PbCl2 1.929e-08 1.929e-08 -7.715 -7.715 0.000 (0) - AgCl3-2 3.513e-09 1.624e-09 -8.454 -8.789 -0.335 (0) - MnCl2 3.781e-10 3.781e-10 -9.422 -9.422 0.000 (0) - CoCl2 2.721e-10 2.721e-10 -9.565 -9.565 0.000 (0) - RaCl2 2.004e-10 2.004e-10 -9.698 -9.698 0.000 (0) - CdCl3- 5.526e-11 4.557e-11 -10.258 -10.341 -0.084 (0) - EuCl2+ 4.781e-11 3.943e-11 -10.321 -10.404 -0.084 (0) - FeCl2 2.899e-11 2.899e-11 -10.538 -10.538 0.000 (0) - HoCl2+ 2.125e-11 1.753e-11 -10.673 -10.756 -0.084 (0) - UO2Cl+ 1.936e-11 1.597e-11 -10.713 -10.797 -0.084 (0) - HCl 1.480e-11 1.480e-11 -10.830 -10.830 0.000 (0) - AgCl4-3 1.161e-11 2.046e-12 -10.935 -11.689 -0.754 (0) - AmCl2+ 9.418e-12 7.768e-12 -11.026 -11.110 -0.084 (0) - CmCl2+ 9.230e-12 7.613e-12 -11.035 -11.118 -0.084 (0) - PbCl3- 8.695e-12 7.170e-12 -11.061 -11.144 -0.084 (0) - PdCl+ 5.789e-12 4.775e-12 -11.237 -11.321 -0.084 (0) - PdCl2 5.743e-12 5.743e-12 -11.241 -11.241 0.000 (0) - PdCl3- 2.104e-12 1.735e-12 -11.677 -11.761 -0.084 (0) - CrCl+2 1.446e-12 6.687e-13 -11.840 -12.175 -0.335 (0) - FeCl3- 9.250e-13 7.627e-13 -12.034 -12.118 -0.084 (0) - PdCl3(OH)-2 9.641e-14 4.457e-14 -13.016 -13.351 -0.335 (0) - MnCl3- 9.584e-14 7.903e-14 -13.018 -13.102 -0.084 (0) - PdCl4-2 1.797e-14 8.310e-15 -13.745 -14.080 -0.335 (0) - CdCl4-2 8.788e-15 4.063e-15 -14.056 -14.391 -0.335 (0) - FeCl+2 6.715e-15 3.105e-15 -14.173 -14.508 -0.335 (0) - PbCl4-2 6.036e-15 2.791e-15 -14.219 -14.554 -0.335 (0) - CoCl3- 4.663e-15 3.845e-15 -14.331 -14.415 -0.084 (0) - Cr(OH)Cl2 2.265e-15 2.265e-15 -14.645 -14.645 0.000 (0) - UO2Cl2 6.510e-16 6.510e-16 -15.186 -15.186 0.000 (0) - ThCl+3 5.588e-17 9.864e-18 -16.253 -17.006 -0.753 (0) - CrCl2+ 2.878e-17 2.374e-17 -16.541 -16.625 -0.084 (0) - FeCl2+ 1.432e-17 1.181e-17 -16.844 -16.928 -0.084 (0) - CrCl+ 3.083e-18 2.542e-18 -17.511 -17.595 -0.084 (0) - CoCl4-2 2.631e-18 1.216e-18 -17.580 -17.915 -0.335 (0) - HfCl+3 1.074e-20 1.893e-21 -19.969 -20.723 -0.754 (0) - FeCl3 9.603e-22 9.603e-22 -21.018 -21.018 0.000 (0) - NpO2Cl+ 4.855e-22 4.006e-22 -21.314 -21.397 -0.083 (0) - PuO2Cl+ 2.228e-23 1.838e-23 -22.652 -22.736 -0.083 (0) - PuCl+3 7.221e-24 1.273e-24 -23.141 -23.895 -0.754 (0) - HfCl2+2 2.200e-24 1.017e-24 -23.658 -23.993 -0.335 (0) - CrO3Cl- 5.601e-25 4.618e-25 -24.252 -24.336 -0.084 (0) - NpCl+3 1.807e-26 3.186e-27 -25.743 -26.497 -0.754 (0) - FeCl4- 1.063e-26 8.762e-27 -25.974 -26.057 -0.084 (0) - PuO2Cl2 5.816e-28 5.816e-28 -27.235 -27.235 0.000 (0) - SbCl+2 2.472e-29 1.143e-29 -28.607 -28.942 -0.335 (0) - ICl2- 5.721e-31 4.717e-31 -30.243 -30.326 -0.084 (0) - SbCl2+ 3.105e-32 2.560e-32 -31.508 -31.592 -0.084 (0) - ZrCl+3 1.684e-32 2.968e-33 -31.774 -32.528 -0.754 (0) - Sn(OH)Cl 1.614e-33 1.614e-33 -32.792 -32.792 0.000 (0) - ZrCl2+2 1.852e-35 8.563e-36 -34.732 -35.067 -0.335 (0) - SnCl+ 8.166e-36 6.734e-36 -35.088 -35.172 -0.084 (0) - UCl+3 3.528e-36 6.221e-37 -35.452 -36.206 -0.754 (0) - SnCl2 2.283e-38 2.283e-38 -37.642 -37.642 0.000 (0) - SnCl3- 0.000e+00 0.000e+00 -40.718 -40.801 -0.084 (0) - SnCl4-2 0.000e+00 0.000e+00 -43.686 -44.021 -0.335 (0) - Cl2 0.000e+00 0.000e+00 -45.450 -45.450 0.000 (0) - UO2ClO3+ 0.000e+00 0.000e+00 -90.624 -90.707 -0.084 (0) - ClO4- 0.000e+00 0.000e+00 -103.131 -103.211 -0.080 (0) + Cl- 9.108e-04 7.527e-04 -3.041 -3.123 -0.083 (0) + CdCl+ 3.536e-05 2.907e-05 -4.452 -4.536 -0.085 (0) + AgCl 2.655e-05 2.655e-05 -4.576 -4.576 0.000 (0) + CuCl 6.127e-06 6.127e-06 -5.213 -5.213 0.000 (0) + PbCl+ 2.805e-06 2.306e-06 -5.552 -5.637 -0.085 (0) + AgCl2- 2.431e-06 1.999e-06 -5.614 -5.699 -0.085 (0) + CoCl+ 1.517e-06 1.247e-06 -5.819 -5.904 -0.085 (0) + CuCl2- 1.345e-06 1.106e-06 -5.871 -5.956 -0.085 (0) + Hg(OH)Cl 1.132e-06 1.132e-06 -5.946 -5.946 0.000 (0) + MgCl+ 9.204e-07 7.567e-07 -6.036 -6.121 -0.085 (0) + EuCl+2 8.429e-07 3.852e-07 -6.074 -6.414 -0.340 (0) + SmCl+2 8.148e-07 3.724e-07 -6.089 -6.429 -0.340 (0) + HoCl+2 7.497e-07 3.427e-07 -6.125 -6.465 -0.340 (0) + SrCl+ 6.967e-07 5.728e-07 -6.157 -6.242 -0.085 (0) + MnCl+ 6.313e-07 5.190e-07 -6.200 -6.285 -0.085 (0) + CsCl 5.024e-07 5.024e-07 -6.299 -6.299 0.000 (0) + HgCl2 4.580e-07 4.580e-07 -6.339 -6.339 0.000 (0) + NiCl+ 4.460e-07 3.668e-07 -6.351 -6.436 -0.085 (0) + RaCl+ 3.153e-07 2.592e-07 -6.501 -6.586 -0.085 (0) + FeCl+ 2.416e-07 1.987e-07 -6.617 -6.702 -0.085 (0) + CuCl+ 2.411e-07 1.983e-07 -6.618 -6.703 -0.085 (0) + AmCl+2 2.203e-07 1.007e-07 -6.657 -6.997 -0.340 (0) + CmCl+2 2.193e-07 1.002e-07 -6.659 -6.999 -0.340 (0) + CdCl2 9.123e-08 9.123e-08 -7.040 -7.040 0.000 (0) + NpO2Cl 7.181e-08 7.181e-08 -7.144 -7.144 0.000 (0) + RbCl 6.046e-08 6.046e-08 -7.219 -7.219 0.000 (0) + PbCl2 6.303e-09 6.303e-09 -8.200 -8.200 0.000 (0) + HgCl3- 3.569e-09 2.934e-09 -8.448 -8.533 -0.085 (0) + AgCl3-2 3.448e-09 1.575e-09 -8.462 -8.803 -0.340 (0) + BeCl+ 2.126e-09 1.748e-09 -8.672 -8.757 -0.085 (0) + CuCl3-2 4.079e-10 1.864e-10 -9.389 -9.730 -0.340 (0) + MnCl2 3.731e-10 3.731e-10 -9.428 -9.428 0.000 (0) + CoCl2 2.645e-10 2.645e-10 -9.578 -9.578 0.000 (0) + RaCl2 1.951e-10 1.951e-10 -9.710 -9.710 0.000 (0) + HgCl+ 1.511e-10 1.242e-10 -9.821 -9.906 -0.085 (0) + CuCl2 1.361e-10 1.361e-10 -9.866 -9.866 0.000 (0) + EuCl2+ 5.461e-11 4.491e-11 -10.263 -10.348 -0.085 (0) + CdCl3- 5.392e-11 4.433e-11 -10.268 -10.353 -0.085 (0) + HoCl2+ 2.927e-11 2.407e-11 -10.534 -10.619 -0.085 (0) + HgCl4-2 1.969e-11 8.997e-12 -10.706 -11.046 -0.340 (0) + UO2Cl+ 1.696e-11 1.395e-11 -10.771 -10.855 -0.085 (0) + AgCl4-3 1.147e-11 1.967e-12 -10.941 -11.706 -0.766 (0) + AmCl2+ 8.214e-12 6.754e-12 -11.085 -11.170 -0.085 (0) + CmCl2+ 8.174e-12 6.722e-12 -11.088 -11.172 -0.085 (0) + PdCl2 3.795e-12 3.795e-12 -11.421 -11.421 0.000 (0) + PbCl3- 2.826e-12 2.323e-12 -11.549 -11.634 -0.085 (0) + PdCl+ 2.331e-12 1.917e-12 -11.632 -11.717 -0.085 (0) + CrCl+2 1.452e-12 6.634e-13 -11.838 -12.178 -0.340 (0) + PdCl3- 1.124e-12 9.244e-13 -11.949 -12.034 -0.085 (0) + Cu2Cl4-2 4.148e-13 1.895e-13 -12.382 -12.722 -0.340 (0) + PdCl4-2 2.008e-13 9.172e-14 -12.697 -13.038 -0.340 (0) + MnCl3- 9.407e-14 7.734e-14 -13.027 -13.112 -0.085 (0) + PdCl3(OH)-2 6.249e-14 2.855e-14 -13.204 -13.544 -0.340 (0) + CdCl4-2 8.581e-15 3.920e-15 -14.066 -14.407 -0.340 (0) + CoCl3- 4.510e-15 3.707e-15 -14.346 -14.431 -0.085 (0) + Cr(OH)Cl2 2.229e-15 2.229e-15 -14.652 -14.652 0.000 (0) + PbCl4-2 1.963e-15 8.969e-16 -14.707 -15.047 -0.340 (0) + CuCl3- 1.642e-15 1.350e-15 -14.785 -14.870 -0.085 (0) + FeCl+2 1.282e-15 5.863e-16 -14.892 -15.232 -0.340 (0) + UO2Cl2 5.639e-16 5.639e-16 -15.249 -15.249 0.000 (0) + ThCl+3 5.626e-17 9.665e-18 -16.250 -17.015 -0.765 (0) + CrCl2+ 2.841e-17 2.335e-17 -16.547 -16.632 -0.085 (0) + CrCl+ 3.068e-18 2.522e-18 -17.513 -17.598 -0.085 (0) + FeCl2+ 2.690e-18 2.212e-18 -17.570 -17.655 -0.085 (0) + CoCl4-2 2.546e-18 1.163e-18 -17.594 -17.934 -0.340 (0) + Cu3Cl6-3 7.031e-19 1.206e-19 -18.153 -18.919 -0.766 (0) + HfCl+3 1.094e-20 1.877e-21 -19.961 -20.727 -0.766 (0) + CuCl4-2 4.439e-21 2.028e-21 -20.353 -20.693 -0.340 (0) + NpO2Cl+ 4.797e-22 3.946e-22 -21.319 -21.404 -0.085 (0) + FeCl3 1.050e-22 1.050e-22 -21.979 -21.979 0.000 (0) + PuO2Cl+ 2.212e-23 1.820e-23 -22.655 -22.740 -0.085 (0) + PuCl+3 7.345e-24 1.261e-24 -23.134 -23.899 -0.765 (0) + HfCl2+2 2.189e-24 1.000e-24 -23.660 -24.000 -0.340 (0) + CrO3Cl- 5.571e-25 4.580e-25 -24.254 -24.339 -0.085 (0) + NpCl+3 1.829e-26 3.139e-27 -25.738 -26.503 -0.766 (0) + FeCl4- 9.615e-28 7.905e-28 -27.017 -27.102 -0.085 (0) + PuO2Cl2 5.710e-28 5.710e-28 -27.243 -27.243 0.000 (0) + SbCl+2 2.474e-29 1.130e-29 -28.607 -28.947 -0.340 (0) + ICl2- 5.657e-31 4.651e-31 -30.247 -30.332 -0.085 (0) + SbCl2+ 3.054e-32 2.511e-32 -31.515 -31.600 -0.085 (0) + ZrCl+3 1.715e-32 2.943e-33 -31.766 -32.531 -0.766 (0) + Sn(OH)Cl 1.601e-33 1.601e-33 -32.796 -32.796 0.000 (0) + ZrCl2+2 1.843e-35 8.422e-36 -34.734 -35.075 -0.340 (0) + SnCl+ 8.123e-36 6.678e-36 -35.090 -35.175 -0.085 (0) + UCl+3 3.167e-36 5.434e-37 -35.499 -36.265 -0.765 (0) + SnCl2 2.245e-38 2.245e-38 -37.649 -37.649 0.000 (0) + SnCl3- 0.000e+00 0.000e+00 -40.727 -40.812 -0.085 (0) + SnCl4-2 0.000e+00 0.000e+00 -43.695 -44.036 -0.340 (0) + Cl2 0.000e+00 0.000e+00 -45.457 -45.457 0.000 (0) + CH3HgCl 0.000e+00 0.000e+00 -73.784 -73.784 0.000 (0) + ClO4- 0.000e+00 0.000e+00 -102.834 -102.915 -0.081 (0) Cm 1.000e-03 - Cm+3 4.119e-04 7.263e-05 -3.385 -4.139 -0.754 (0) - CmSiO(OH)3+2 2.755e-04 1.274e-04 -3.560 -3.895 -0.335 (0) - Cm(OH)+2 9.906e-05 4.580e-05 -4.004 -4.339 -0.335 (0) - CmPO4 9.270e-05 9.270e-05 -4.033 -4.033 0.000 (0) - CmSO4+ 5.165e-05 4.260e-05 -4.287 -4.371 -0.084 (0) - CmCO3+ 4.067e-05 3.356e-05 -4.391 -4.474 -0.083 (0) - Cm(HPO4)+ 1.025e-05 8.454e-06 -4.989 -5.073 -0.084 (0) - CmF+2 8.254e-06 3.816e-06 -5.083 -5.418 -0.335 (0) - Cm(OH)2+ 6.992e-06 5.763e-06 -5.155 -5.239 -0.084 (0) - CmHCO3+2 2.460e-06 1.137e-06 -5.609 -5.944 -0.335 (0) - CmCl+2 2.071e-07 9.580e-08 -6.684 -7.019 -0.335 (0) - Cm(SO4)2- 1.417e-07 1.169e-07 -6.848 -6.932 -0.084 (0) - CmF3 1.006e-07 1.006e-07 -6.997 -6.997 0.000 (0) - Cm(PO4)2-3 8.257e-08 1.455e-08 -7.083 -7.837 -0.754 (0) - CmF2+ 2.431e-08 2.005e-08 -7.614 -7.698 -0.084 (0) - Cm(H2PO4)+2 2.301e-08 1.064e-08 -7.638 -7.973 -0.335 (0) - Cm(HPO4)2- 1.848e-08 1.524e-08 -7.733 -7.817 -0.084 (0) - Cm(CO3)2- 1.186e-08 9.788e-09 -7.926 -8.009 -0.083 (0) - Cm(OH)3 4.575e-10 4.575e-10 -9.340 -9.340 0.000 (0) - CmCl2+ 9.230e-12 7.613e-12 -11.035 -11.118 -0.084 (0) - Ca(Cm(OH)3)+2 3.456e-13 1.598e-13 -12.461 -12.796 -0.335 (0) - Cm(CO3)3-3 3.230e-14 5.695e-15 -13.491 -14.245 -0.754 (0) - Cm(OH)4- 1.753e-17 1.446e-17 -16.756 -16.840 -0.084 (0) - Ca2(Cm(OH)4)+3 5.016e-20 8.842e-21 -19.300 -20.053 -0.754 (0) - CmNO3+2 4.205e-24 1.944e-24 -23.376 -23.711 -0.335 (0) - Ca3(Cm(OH)6)+3 6.967e-33 1.228e-33 -32.157 -32.911 -0.754 (0) + Cm+3 4.463e-04 7.661e-05 -3.350 -4.116 -0.765 (0) + CmSiO(OH)3+2 2.612e-04 1.193e-04 -3.583 -3.923 -0.340 (0) + Cm(OH)+2 1.058e-04 4.831e-05 -3.976 -4.316 -0.340 (0) + Cm(CO3)+ 8.327e-05 6.849e-05 -4.079 -4.164 -0.085 (0) + Cm(SO4)+ 5.959e-05 4.901e-05 -4.225 -4.310 -0.085 (0) + Cm(PO4) 2.001e-05 2.001e-05 -4.699 -4.699 0.000 (0) + CmF+2 8.362e-06 3.820e-06 -5.078 -5.418 -0.340 (0) + Cm(OH)2+ 7.397e-06 6.078e-06 -5.131 -5.216 -0.085 (0) + CmHCO3+2 5.080e-06 2.321e-06 -5.294 -5.634 -0.340 (0) + Cm(HPO4)+ 2.220e-06 1.825e-06 -5.654 -5.739 -0.085 (0) + Cm(SO4)2- 3.814e-07 3.135e-07 -6.419 -6.504 -0.085 (0) + CmCl+2 2.193e-07 1.002e-07 -6.659 -6.999 -0.340 (0) + CmF3 9.071e-08 9.071e-08 -7.042 -7.042 0.000 (0) + Cm(CO3)2- 4.699e-08 3.864e-08 -7.328 -7.413 -0.085 (0) + CmF2+ 2.317e-08 1.905e-08 -7.635 -7.720 -0.085 (0) + Cm(H2PO4)+2 5.640e-09 2.577e-09 -8.249 -8.589 -0.340 (0) + Cm(PO4)2-3 3.834e-09 6.578e-10 -8.416 -9.182 -0.766 (0) + Cm(HPO4)2- 8.187e-10 6.731e-10 -9.087 -9.172 -0.085 (0) + Cm(OH)3 4.825e-10 4.825e-10 -9.317 -9.317 0.000 (0) + CmCl2+ 8.174e-12 6.722e-12 -11.088 -11.172 -0.085 (0) + Ca(Cm(OH)3)+2 3.649e-13 1.667e-13 -12.438 -12.778 -0.340 (0) + Cm(CO3)3-3 2.534e-13 4.348e-14 -12.596 -13.362 -0.765 (0) + Ca2(Cm(OH)4)+3 5.314e-20 9.124e-21 -19.275 -20.040 -0.765 (0) + Cm(NO3)+2 5.856e-24 2.675e-24 -23.232 -23.573 -0.340 (0) + Ca3(Cm(OH)6)+3 7.305e-33 1.254e-33 -32.136 -32.902 -0.766 (0) + Cm(NO3)2+ 0.000e+00 0.000e+00 -44.625 -44.710 -0.085 (0) Co 1.000e-03 - Co+2 9.754e-04 4.511e-04 -3.011 -3.346 -0.335 (0) - CoSO4 1.873e-05 1.873e-05 -4.727 -4.727 0.000 (0) - Co(OH)+ 3.219e-06 2.655e-06 -5.492 -5.576 -0.084 (0) - CoCl+ 1.543e-06 1.272e-06 -5.812 -5.896 -0.084 (0) - CoHCO3+ 5.282e-07 4.356e-07 -6.277 -6.361 -0.084 (0) - CoF+ 3.619e-07 2.984e-07 -6.441 -6.525 -0.084 (0) - CoHPO4 1.863e-07 1.863e-07 -6.730 -6.730 0.000 (0) - CoCO3 4.457e-08 4.457e-08 -7.351 -7.351 0.000 (0) - Co(OH)2 1.132e-08 1.132e-08 -7.946 -7.946 0.000 (0) - Co2(OH)+3 1.707e-09 3.008e-10 -8.768 -9.522 -0.754 (0) - CoCl2 2.721e-10 2.721e-10 -9.565 -9.565 0.000 (0) - Co4(OH)4+4 1.192e-14 5.445e-16 -13.924 -15.264 -1.340 (0) - Co(OH)3- 1.089e-14 8.984e-15 -13.963 -14.047 -0.084 (0) - CoCl3- 4.663e-15 3.845e-15 -14.331 -14.415 -0.084 (0) - CoCl4-2 2.631e-18 1.216e-18 -17.580 -17.915 -0.335 (0) - Co(SeO4) 3.996e-19 3.996e-19 -18.398 -18.398 0.000 (0) - Co(OH)4-2 3.700e-22 1.711e-22 -21.432 -21.767 -0.335 (0) - CoHS+ 0.000e+00 0.000e+00 -62.583 -62.667 -0.084 (0) - CoS2O3 0.000e+00 0.000e+00 -72.098 -72.098 0.000 (0) - Co(HS)2 0.000e+00 0.000e+00 -124.558 -124.558 0.000 (0) -Cr(2) 3.612e-18 - CrCl+ 3.083e-18 2.542e-18 -17.511 -17.595 -0.084 (0) - Cr(OH)+ 5.110e-19 4.214e-19 -18.292 -18.375 -0.084 (0) - Cr+2 1.820e-20 8.414e-21 -19.740 -20.075 -0.335 (0) + Co+2 9.758e-04 4.459e-04 -3.011 -3.351 -0.340 (0) + CoSO4 1.800e-05 1.800e-05 -4.745 -4.745 0.000 (0) + Co(OH)+ 3.192e-06 2.624e-06 -5.496 -5.581 -0.085 (0) + CoCl+ 1.517e-06 1.247e-06 -5.819 -5.904 -0.085 (0) + CoHCO3+ 1.013e-06 8.329e-07 -5.994 -6.079 -0.085 (0) + CoF+ 3.405e-07 2.799e-07 -6.468 -6.553 -0.085 (0) + CoCO3 8.523e-08 8.523e-08 -7.069 -7.069 0.000 (0) + CoHPO4 3.683e-08 3.683e-08 -7.434 -7.434 0.000 (0) + Co(OH)2 1.119e-08 1.119e-08 -7.951 -7.951 0.000 (0) + Co2(OH)+3 1.713e-09 2.939e-10 -8.766 -9.532 -0.766 (0) + CoCl2 2.645e-10 2.645e-10 -9.578 -9.578 0.000 (0) + Co(SeO4) 2.267e-12 2.267e-12 -11.644 -11.644 0.000 (0) + Co4(OH)4+4 1.194e-14 5.200e-16 -13.923 -15.284 -1.361 (0) + Co(OH)3- 1.080e-14 8.880e-15 -13.967 -14.052 -0.085 (0) + CoCl3- 4.510e-15 3.707e-15 -14.346 -14.431 -0.085 (0) + CoCl4-2 2.546e-18 1.163e-18 -17.594 -17.934 -0.340 (0) + Co(OH)4-2 3.702e-22 1.691e-22 -21.432 -21.772 -0.340 (0) + CoHS+ 0.000e+00 0.000e+00 -62.599 -62.684 -0.085 (0) + CoS2O3 0.000e+00 0.000e+00 -72.117 -72.117 0.000 (0) + Co(HS)2 0.000e+00 0.000e+00 -124.587 -124.587 0.000 (0) +Cr(2) 3.599e-18 + CrCl+ 3.068e-18 2.522e-18 -17.513 -17.598 -0.085 (0) + Cr(OH)+ 5.128e-19 4.216e-19 -18.290 -18.375 -0.085 (0) + Cr+2 1.842e-20 8.417e-21 -19.735 -20.075 -0.340 (0) Cr(3) 1.000e-03 - Cr(OH)3 9.642e-04 9.642e-04 -3.016 -3.016 0.000 (0) - Cr(OH)2+ 3.223e-05 2.657e-05 -4.492 -4.576 -0.084 (0) - Cr(OH)+2 1.737e-06 8.031e-07 -5.760 -6.095 -0.335 (0) - Cr(OH)3(H2PO4)- 4.110e-07 3.389e-07 -6.386 -6.470 -0.084 (0) - Cr3(OH)4+5 2.937e-07 2.366e-09 -6.532 -8.626 -2.094 (0) - Cr(HPO4)+ 2.659e-07 2.193e-07 -6.575 -6.659 -0.084 (0) - Cr(OH)CO3 1.229e-07 1.229e-07 -6.910 -6.910 0.000 (0) - Cr(OH)3(HPO4)-2 7.001e-08 3.237e-08 -7.155 -7.490 -0.335 (0) - Cr(OH)4- 3.530e-08 2.911e-08 -7.452 -7.536 -0.084 (0) - Cr2(OH)2+4 9.763e-09 4.462e-10 -8.010 -9.351 -1.340 (0) - CrSO4+ 2.173e-09 1.792e-09 -8.663 -8.747 -0.084 (0) - CrF+2 1.551e-09 7.170e-10 -8.809 -9.144 -0.335 (0) - Cr+3 1.198e-09 2.114e-10 -8.921 -9.675 -0.754 (0) - Cr(OH)(CO3)2-2 8.305e-10 3.840e-10 -9.081 -9.416 -0.335 (0) - CrF2+ 2.290e-10 1.888e-10 -9.640 -9.724 -0.084 (0) - Cr(OH)3(PO4)-3 4.017e-11 7.081e-12 -10.396 -11.150 -0.754 (0) - Cr(OH)3(H2PO4)2-2 2.143e-12 9.909e-13 -11.669 -12.004 -0.335 (0) - CrF3 1.572e-12 1.572e-12 -11.804 -11.804 0.000 (0) - CrCl+2 1.446e-12 6.687e-13 -11.840 -12.175 -0.335 (0) - Cr(H2PO4)+2 9.682e-14 4.477e-14 -13.014 -13.349 -0.335 (0) - CrBr+2 5.276e-14 2.439e-14 -13.278 -13.613 -0.335 (0) - Cr(OH)4(HPO4)(H2PO4)-4 2.728e-15 1.247e-16 -14.564 -15.904 -1.340 (0) - Cr(OH)Cl2 2.265e-15 2.265e-15 -14.645 -14.645 0.000 (0) - Cr(OH)4(CO3)-3 1.421e-15 2.504e-16 -14.848 -15.601 -0.754 (0) - CrCl2+ 2.878e-17 2.374e-17 -16.541 -16.625 -0.084 (0) -Cr(6) 1.428e-15 - CrO4-2 1.094e-15 5.058e-16 -14.961 -15.296 -0.335 (0) - HCrO4- 2.031e-16 1.675e-16 -15.692 -15.776 -0.084 (0) - CaCrO4 1.310e-16 1.310e-16 -15.883 -15.883 0.000 (0) - FeCrO4+ 6.303e-21 5.198e-21 -20.200 -20.284 -0.084 (0) - HCrPO7-2 1.497e-22 6.921e-23 -21.825 -22.160 -0.335 (0) + Cr(OH)3 9.645e-04 9.645e-04 -3.016 -3.016 0.000 (0) + Cr(OH)2+ 3.233e-05 2.658e-05 -4.490 -4.575 -0.085 (0) + Cr(OH)+2 1.758e-06 8.033e-07 -5.755 -6.095 -0.340 (0) + Cr3(OH)4+5 3.168e-07 2.368e-09 -6.499 -8.626 -2.126 (0) + Cr(OH)CO3 2.378e-07 2.378e-07 -6.624 -6.624 0.000 (0) + Cr(OH)3(H2PO4)- 8.246e-08 6.779e-08 -7.084 -7.169 -0.085 (0) + Cr(HPO4)+ 5.334e-08 4.386e-08 -7.273 -7.358 -0.085 (0) + Cr(OH)4- 3.541e-08 2.911e-08 -7.451 -7.536 -0.085 (0) + Cr(OH)3(HPO4)-2 1.417e-08 6.474e-09 -7.849 -8.189 -0.340 (0) + Cr2(OH)2+4 1.025e-08 4.464e-10 -7.989 -9.350 -1.361 (0) + Cr(OH)(CO3)2-2 3.146e-09 1.437e-09 -8.502 -8.842 -0.340 (0) + CrSO4+ 2.119e-09 1.742e-09 -8.674 -8.759 -0.085 (0) + CrF+2 1.490e-09 6.807e-10 -8.827 -9.167 -0.340 (0) + Cr+3 1.231e-09 2.114e-10 -8.910 -9.675 -0.765 (0) + CrF2+ 2.069e-10 1.701e-10 -9.684 -9.769 -0.085 (0) + Cr(OH)3(PO4)-3 8.255e-12 1.416e-12 -11.083 -11.849 -0.766 (0) + CrCl+2 1.452e-12 6.634e-13 -11.838 -12.178 -0.340 (0) + CrF3 1.344e-12 1.344e-12 -11.871 -11.871 0.000 (0) + Cr(OH)3(H2PO4)2-2 8.676e-14 3.963e-14 -13.062 -13.402 -0.340 (0) + CrBr+2 5.369e-14 2.453e-14 -13.270 -13.610 -0.340 (0) + Cr(H2PO4)+2 1.960e-14 8.954e-15 -13.708 -14.048 -0.340 (0) + Cr(OH)4(CO3)-3 2.824e-15 4.846e-16 -14.549 -15.315 -0.766 (0) + Cr(OH)Cl2 2.229e-15 2.229e-15 -14.652 -14.652 0.000 (0) + Cr(OH)4(HPO4)(H2PO4)-4 1.145e-16 4.986e-18 -15.941 -17.302 -1.361 (0) + CrCl2+ 2.841e-17 2.335e-17 -16.547 -16.632 -0.085 (0) +Cr(6) 1.441e-15 + CrO4-2 1.107e-15 5.058e-16 -14.956 -15.296 -0.340 (0) + HCrO4- 2.037e-16 1.675e-16 -15.691 -15.776 -0.085 (0) + CaCrO4 1.296e-16 1.296e-16 -15.887 -15.887 0.000 (0) + FeCrO4+ 9.132e-22 7.508e-22 -21.039 -21.124 -0.085 (0) + HCrPO7-2 3.030e-23 1.384e-23 -22.519 -22.859 -0.340 (0) H2CrO4 1.057e-23 1.057e-23 -22.976 -22.976 0.000 (0) - CrO3Cl- 5.601e-25 4.618e-25 -24.252 -24.336 -0.084 (0) - H2CrPO7- 3.749e-27 3.092e-27 -26.426 -26.510 -0.084 (0) - Cr2O7-2 3.114e-30 1.440e-30 -29.507 -29.842 -0.335 (0) + CrO3Cl- 5.571e-25 4.580e-25 -24.254 -24.339 -0.085 (0) + H2CrPO7- 7.520e-28 6.183e-28 -27.124 -27.209 -0.085 (0) + Cr2O7-2 3.152e-30 1.440e-30 -29.501 -29.842 -0.340 (0) Cs 1.000e-03 - Cs+ 9.989e-04 8.237e-04 -3.000 -3.084 -0.084 (0) - CsCl 5.081e-07 5.081e-07 -6.294 -6.294 0.000 (0) - CsBr 4.876e-07 4.876e-07 -6.312 -6.312 0.000 (0) - CsI 4.775e-08 4.775e-08 -7.321 -7.321 0.000 (0) - CsF 7.183e-09 7.183e-09 -8.144 -8.144 0.000 (0) - Cs(OH) 1.886e-12 1.886e-12 -11.725 -11.725 0.000 (0) -Cu(1) 4.588e-06 - Cu+ 4.588e-06 3.783e-06 -5.338 -5.422 -0.084 (0) -Cu(2) 9.954e-04 - Cu(B(OH)4)+ 7.412e-04 6.112e-04 -3.130 -3.214 -0.084 (0) - Cu+2 1.874e-04 8.668e-05 -3.727 -4.062 -0.335 (0) - Cu(B(OH)4)2 6.675e-05 6.675e-05 -4.176 -4.176 0.000 (0) - Cu(B(OH)4)3- 2.221e-08 1.831e-08 -7.654 -7.737 -0.084 (0) - Cu(SeO4) 2.428e-20 2.428e-20 -19.615 -19.615 0.000 (0) -Eu(2) 1.780e-14 - Eu+2 1.780e-14 8.229e-15 -13.750 -14.085 -0.335 (0) + Cs+ 9.989e-04 8.213e-04 -3.000 -3.086 -0.085 (0) + CsCl 5.024e-07 5.024e-07 -6.299 -6.299 0.000 (0) + CsBr 5.000e-07 5.000e-07 -6.301 -6.301 0.000 (0) + CsI 4.773e-08 4.773e-08 -7.321 -7.321 0.000 (0) + CsF 6.796e-09 6.796e-09 -8.168 -8.168 0.000 (0) + Cs(OH) 1.880e-12 1.880e-12 -11.726 -11.726 0.000 (0) +Cu(1) 1.329e-05 + CuCl 6.127e-06 6.127e-06 -5.213 -5.213 0.000 (0) + Cu+ 4.962e-06 4.080e-06 -5.304 -5.389 -0.085 (0) + CuCl2- 1.345e-06 1.106e-06 -5.871 -5.956 -0.085 (0) + CuOH 8.518e-07 8.518e-07 -6.070 -6.070 0.000 (0) + CuCl3-2 4.079e-10 1.864e-10 -9.389 -9.730 -0.340 (0) + Cu(OH)2- 3.127e-10 2.571e-10 -9.505 -9.590 -0.085 (0) + Cu2Cl4-2 4.148e-13 1.895e-13 -12.382 -12.722 -0.340 (0) + Cu3Cl6-3 7.031e-19 1.206e-19 -18.153 -18.919 -0.766 (0) + CuHS 0.000e+00 0.000e+00 -57.392 -57.392 0.000 (0) + CuS2O3- 0.000e+00 0.000e+00 -65.991 -66.076 -0.085 (0) + Cu(HS)2- 0.000e+00 0.000e+00 -118.130 -118.215 -0.085 (0) + Cu2S(HS)2-2 0.000e+00 0.000e+00 -168.577 -168.918 -0.340 (0) +Cu(2) 9.867e-04 + Cu(B(OH)4)+ 6.946e-04 5.710e-04 -3.158 -3.243 -0.085 (0) + Cu+2 1.321e-04 6.034e-05 -3.879 -4.219 -0.340 (0) + Cu(B(OH)4)2 8.369e-05 8.369e-05 -4.077 -4.077 0.000 (0) + Cu2(OH)2+2 2.243e-05 1.025e-05 -4.649 -4.989 -0.340 (0) + Cu(OH)+ 7.860e-06 6.462e-06 -5.105 -5.190 -0.085 (0) + Cu3(OH)4+2 5.508e-06 2.516e-06 -5.259 -5.599 -0.340 (0) + CuCO3 3.819e-06 3.819e-06 -5.418 -5.418 0.000 (0) + CuSO4 2.492e-06 2.492e-06 -5.603 -5.603 0.000 (0) + Cu(OH)2 3.549e-07 3.549e-07 -6.450 -6.450 0.000 (0) + CuCl+ 2.411e-07 1.983e-07 -6.618 -6.703 -0.085 (0) + CuHCO3+ 1.222e-07 1.005e-07 -6.913 -6.998 -0.085 (0) + Cu2(OH)+3 4.135e-08 7.095e-09 -7.384 -8.149 -0.766 (0) + Cu(B(OH)4)3- 3.748e-08 3.081e-08 -7.426 -7.511 -0.085 (0) + Cu(CO3)2-2 3.338e-10 1.525e-10 -9.476 -9.817 -0.340 (0) + Cu(OH)3- 1.717e-10 1.412e-10 -9.765 -9.850 -0.085 (0) + CuCl2 1.361e-10 1.361e-10 -9.866 -9.866 0.000 (0) + Cu(SeO4) 9.702e-14 9.702e-14 -13.013 -13.013 0.000 (0) + CuCl3- 1.642e-15 1.350e-15 -14.785 -14.870 -0.085 (0) + Cu(OH)4-2 2.452e-16 1.121e-16 -15.610 -15.950 -0.340 (0) + CuCl4-2 4.439e-21 2.028e-21 -20.353 -20.693 -0.340 (0) +Eu(2) 2.086e-14 + Eu+2 2.086e-14 9.531e-15 -13.681 -14.021 -0.340 (0) Eu(3) 1.000e-03 - Eu+3 4.356e-04 7.682e-05 -3.361 -4.115 -0.754 (0) - Eu(PO4) 1.956e-04 1.956e-04 -3.709 -3.709 0.000 (0) - EuSiO(OH)3+2 1.427e-04 6.598e-05 -3.846 -4.181 -0.335 (0) - EuF+2 7.427e-05 3.435e-05 -4.129 -4.464 -0.335 (0) - Eu(SO4)+ 6.129e-05 5.055e-05 -4.213 -4.296 -0.084 (0) - Eu(CO3)+ 4.304e-05 3.550e-05 -4.366 -4.450 -0.084 (0) - Eu(OH)+2 2.632e-05 1.217e-05 -4.580 -4.915 -0.335 (0) - Eu(HPO4)+ 1.679e-05 1.385e-05 -4.775 -4.859 -0.084 (0) - Eu(OH)2+ 1.857e-06 1.531e-06 -5.731 -5.815 -0.084 (0) - EuCl+2 7.253e-07 3.355e-07 -6.139 -6.474 -0.335 (0) - Eu(SO4)2- 6.396e-07 5.273e-07 -6.194 -6.278 -0.084 (0) - Eu(PO4)2-3 5.142e-07 9.064e-08 -6.289 -7.043 -0.754 (0) - Eu(HCO3)+2 2.602e-07 1.203e-07 -6.585 -6.920 -0.335 (0) - EuF2+ 1.446e-07 1.193e-07 -6.840 -6.923 -0.084 (0) - EuBr+2 1.422e-07 6.573e-08 -6.847 -7.182 -0.335 (0) - Eu(HPO4)2- 4.798e-08 3.956e-08 -7.319 -7.403 -0.084 (0) - EuF3 2.799e-08 2.799e-08 -7.553 -7.553 0.000 (0) - Eu(CO3)2- 2.506e-08 2.066e-08 -7.601 -7.685 -0.084 (0) - Eu(H2PO4)+2 2.434e-08 1.126e-08 -7.614 -7.949 -0.335 (0) - Eu(OH)3 4.838e-10 4.838e-10 -9.315 -9.315 0.000 (0) - EuCl2+ 4.781e-11 3.943e-11 -10.321 -10.404 -0.084 (0) - EuBr2+ 1.753e-11 1.446e-11 -10.756 -10.840 -0.084 (0) - Ca(Eu(OH)3)+2 3.655e-13 1.690e-13 -12.437 -12.772 -0.335 (0) - Eu(CO3)3-3 5.418e-14 9.546e-15 -13.266 -14.020 -0.754 (0) - Eu(OH)4- 1.853e-17 1.528e-17 -16.732 -16.816 -0.084 (0) - Ca2(Eu(OH)4)+3 5.305e-20 9.351e-21 -19.275 -20.029 -0.754 (0) - Eu(NO3)+2 3.372e-24 1.560e-24 -23.472 -23.807 -0.335 (0) - Ca3(Eu(OH)6)+3 7.368e-33 1.299e-33 -32.133 -32.886 -0.754 (0) + Eu+3 5.182e-04 8.895e-05 -3.286 -4.051 -0.765 (0) + EuSiO(OH)3+2 1.485e-04 6.786e-05 -3.828 -4.168 -0.340 (0) + Eu(CO3)+ 9.670e-05 7.952e-05 -4.015 -4.100 -0.085 (0) + EuF+2 8.260e-05 3.775e-05 -4.083 -4.423 -0.340 (0) + Eu(SO4)+ 6.919e-05 5.690e-05 -4.160 -4.245 -0.085 (0) + Eu(PO4) 4.529e-05 4.529e-05 -4.344 -4.344 0.000 (0) + Eu(OH)+2 3.084e-05 1.409e-05 -4.511 -4.851 -0.340 (0) + Eu(HPO4)+ 3.900e-06 3.206e-06 -5.409 -5.494 -0.085 (0) + Eu(OH)2+ 2.157e-06 1.772e-06 -5.666 -5.751 -0.085 (0) + EuCl+2 8.429e-07 3.852e-07 -6.074 -6.414 -0.340 (0) + Eu(SO4)2- 7.018e-07 5.769e-07 -6.154 -6.239 -0.085 (0) + Eu(HCO3)+2 5.898e-07 2.695e-07 -6.229 -6.570 -0.340 (0) + EuBr+2 1.674e-07 7.650e-08 -6.776 -7.116 -0.340 (0) + EuF2+ 1.512e-07 1.244e-07 -6.820 -6.905 -0.085 (0) + Eu(CO3)2- 1.089e-07 8.950e-08 -6.963 -7.048 -0.085 (0) + EuF3 2.770e-08 2.770e-08 -7.557 -7.557 0.000 (0) + Eu(PO4)2-3 2.446e-08 4.197e-09 -7.612 -8.377 -0.766 (0) + Eu(H2PO4)+2 5.703e-09 2.606e-09 -8.244 -8.584 -0.340 (0) + Eu(HPO4)2- 2.228e-09 1.832e-09 -8.652 -8.737 -0.085 (0) + Eu(OH)3 5.601e-10 5.601e-10 -9.252 -9.252 0.000 (0) + EuCl2+ 5.461e-11 4.491e-11 -10.263 -10.348 -0.085 (0) + EuBr2+ 2.057e-11 1.691e-11 -10.687 -10.772 -0.085 (0) + Eu(CO3)3-3 4.666e-13 8.001e-14 -12.331 -13.097 -0.766 (0) + Ca(Eu(OH)3)+2 4.237e-13 1.936e-13 -12.373 -12.713 -0.340 (0) + Eu(OH)4- 2.153e-17 1.770e-17 -16.667 -16.752 -0.085 (0) + Ca2(Eu(OH)4)+3 6.174e-20 1.059e-20 -19.209 -19.975 -0.766 (0) + Eu(NO3)+2 5.784e-24 2.644e-24 -23.238 -23.578 -0.340 (0) + Ca3(Eu(OH)6)+3 8.482e-33 1.455e-33 -32.072 -32.837 -0.766 (0) F 1.000e-03 - Al(OH)2F 3.829e-04 3.829e-04 -3.417 -3.417 0.000 (0) - MnF2 1.771e-04 1.771e-04 -3.752 -3.752 0.000 (0) - EuF+2 7.427e-05 3.435e-05 -4.129 -4.464 -0.335 (0) - SmF+2 6.099e-05 2.821e-05 -4.215 -4.550 -0.335 (0) - HoF+2 5.737e-05 2.654e-05 -4.241 -4.576 -0.335 (0) - F- 2.536e-05 2.092e-05 -4.596 -4.680 -0.084 (0) - AmF+2 8.419e-06 3.894e-06 -5.075 -5.410 -0.335 (0) - CmF+2 8.254e-06 3.816e-06 -5.083 -5.418 -0.335 (0) - AlF2+ 4.988e-06 4.113e-06 -5.302 -5.386 -0.084 (0) - MnF3- 1.788e-06 1.475e-06 -5.748 -5.831 -0.084 (0) - Al(OH)2F2- 1.612e-06 1.329e-06 -5.793 -5.876 -0.084 (0) - PbF+ 1.581e-06 1.304e-06 -5.801 -5.885 -0.084 (0) - AlF+2 1.284e-06 5.939e-07 -5.891 -6.226 -0.335 (0) - AlF3 9.653e-07 9.653e-07 -6.015 -6.015 0.000 (0) - MgF+ 7.268e-07 5.994e-07 -6.139 -6.222 -0.084 (0) - CoF+ 3.619e-07 2.984e-07 -6.441 -6.525 -0.084 (0) - NiF+ 2.795e-07 2.305e-07 -6.554 -6.637 -0.084 (0) - NpO2F 2.710e-07 2.710e-07 -6.567 -6.567 0.000 (0) - RbF 1.502e-07 1.502e-07 -6.823 -6.823 0.000 (0) - EuF2+ 1.446e-07 1.193e-07 -6.840 -6.923 -0.084 (0) - SmF2+ 1.188e-07 9.793e-08 -6.925 -7.009 -0.084 (0) - HoF2+ 1.042e-07 8.597e-08 -6.982 -7.066 -0.084 (0) - CmF3 1.006e-07 1.006e-07 -6.997 -6.997 0.000 (0) - CaF+ 9.716e-08 8.012e-08 -7.012 -7.096 -0.084 (0) - HfF4 7.743e-08 7.743e-08 -7.111 -7.111 0.000 (0) - MnF+ 6.629e-08 5.466e-08 -7.179 -7.262 -0.084 (0) - UO2F+ 5.217e-08 4.302e-08 -7.283 -7.366 -0.084 (0) - AmF3 4.481e-08 4.481e-08 -7.349 -7.349 0.000 (0) - FeF+ 4.227e-08 3.486e-08 -7.374 -7.458 -0.084 (0) - RaF+ 3.355e-08 2.766e-08 -7.474 -7.558 -0.084 (0) - BaF+ 2.811e-08 2.318e-08 -7.551 -7.635 -0.084 (0) - EuF3 2.799e-08 2.799e-08 -7.553 -7.553 0.000 (0) - AmF2+ 2.480e-08 2.046e-08 -7.605 -7.689 -0.084 (0) - CmF2+ 2.431e-08 2.005e-08 -7.614 -7.698 -0.084 (0) - SrF+ 2.294e-08 1.892e-08 -7.639 -7.723 -0.084 (0) - CsF 7.183e-09 7.183e-09 -8.144 -8.144 0.000 (0) - NaF 6.120e-09 6.120e-09 -8.213 -8.213 0.000 (0) - AlF4- 5.874e-09 4.844e-09 -8.231 -8.315 -0.084 (0) - UO2F2 4.209e-09 4.209e-09 -8.376 -8.376 0.000 (0) - MnF4-2 3.839e-09 1.775e-09 -8.416 -8.751 -0.335 (0) - HfF3+ 2.100e-09 1.731e-09 -8.678 -8.762 -0.084 (0) - ThF4 1.887e-09 1.887e-09 -8.724 -8.724 0.000 (0) - CrF+2 1.551e-09 7.170e-10 -8.809 -9.144 -0.335 (0) - ThF3+ 1.346e-09 1.110e-09 -8.871 -8.955 -0.084 (0) - BF(OH)3- 1.156e-09 9.529e-10 -8.937 -9.021 -0.084 (0) - ThF2+2 1.047e-09 4.840e-10 -8.980 -9.315 -0.335 (0) - CrF2+ 2.290e-10 1.888e-10 -9.640 -9.724 -0.084 (0) - PbF2 1.499e-10 1.499e-10 -9.824 -9.824 0.000 (0) - ThF+3 2.281e-11 4.021e-12 -10.642 -11.396 -0.754 (0) - AlOHF2 2.108e-11 2.108e-11 -10.676 -10.676 0.000 (0) - SrF2 2.076e-11 2.076e-11 -10.683 -10.683 0.000 (0) - UO2F3- 1.255e-11 1.034e-11 -10.901 -10.985 -0.084 (0) - HfF2+2 1.054e-11 4.874e-12 -10.977 -11.312 -0.335 (0) - FeF+2 9.939e-12 4.595e-12 -11.003 -11.338 -0.335 (0) - FeF2+ 5.453e-12 4.496e-12 -11.263 -11.347 -0.084 (0) - MnF5-3 4.202e-12 7.408e-13 -11.377 -12.130 -0.754 (0) - PuO2F 3.124e-12 3.124e-12 -11.505 -11.505 0.000 (0) - CrF3 1.572e-12 1.572e-12 -11.804 -11.804 0.000 (0) - BF2(OH)2- 2.592e-13 2.137e-13 -12.586 -12.670 -0.084 (0) - FeF3 1.490e-13 1.490e-13 -12.827 -12.827 0.000 (0) - UO2F4-2 4.078e-15 1.884e-15 -14.390 -14.725 -0.335 (0) - HfF+3 3.641e-15 6.418e-16 -14.439 -15.193 -0.754 (0) - MnF6-4 2.139e-15 9.776e-17 -14.670 -16.010 -1.340 (0) - PuF2+2 1.260e-16 5.830e-17 -15.899 -16.234 -0.335 (0) - PuF3+ 3.801e-17 3.135e-17 -16.420 -16.504 -0.084 (0) - NpF4 2.265e-18 2.265e-18 -17.645 -17.645 0.000 (0) - PuF+3 2.182e-18 3.847e-19 -17.661 -18.415 -0.754 (0) - NpF2+2 6.293e-19 2.911e-19 -18.201 -18.536 -0.335 (0) - BF3(OH)- 5.948e-19 4.905e-19 -18.226 -18.309 -0.084 (0) - NpO2F+ 1.980e-19 1.633e-19 -18.703 -18.787 -0.084 (0) - NpF3+ 1.653e-19 1.363e-19 -18.782 -18.865 -0.084 (0) - ZrF4 2.479e-20 2.479e-20 -19.606 -19.606 0.000 (0) - ZrF5- 1.943e-20 1.602e-20 -19.711 -19.795 -0.084 (0) - NpF+3 1.437e-20 2.532e-21 -19.843 -20.596 -0.754 (0) - PuO2F+ 1.313e-20 1.083e-20 -19.882 -19.965 -0.084 (0) - ZrF3+ 5.853e-21 4.827e-21 -20.233 -20.316 -0.084 (0) - NpO2F2 3.661e-21 3.661e-21 -20.436 -20.436 0.000 (0) - ZrF6-2 2.346e-21 1.084e-21 -20.630 -20.965 -0.335 (0) - ZrF2+2 3.375e-22 1.560e-22 -21.472 -21.807 -0.335 (0) - PuO2F2 1.110e-22 1.110e-22 -21.955 -21.955 0.000 (0) - BF4- 5.072e-24 4.182e-24 -23.295 -23.379 -0.084 (0) - PuO2F3- 6.158e-25 5.078e-25 -24.211 -24.294 -0.084 (0) - SbF3 3.462e-25 3.462e-25 -24.461 -24.461 0.000 (0) - ZrF+3 1.572e-25 2.771e-26 -24.803 -25.557 -0.754 (0) - SbF2+ 3.331e-26 2.747e-26 -25.477 -25.561 -0.084 (0) - SbF+2 2.531e-27 1.170e-27 -26.597 -26.932 -0.335 (0) - UF3+ 1.345e-27 1.109e-27 -26.871 -26.955 -0.084 (0) - UF4 6.540e-28 6.540e-28 -27.184 -27.184 0.000 (0) - UF2+2 5.364e-28 2.481e-28 -27.271 -27.605 -0.335 (0) - UF+3 4.873e-30 8.592e-31 -29.312 -30.066 -0.754 (0) - UF5- 4.073e-31 3.358e-31 -30.390 -30.474 -0.084 (0) - UF6-2 1.785e-33 8.252e-34 -32.748 -33.083 -0.335 (0) - SnF+ 1.209e-33 9.967e-34 -32.918 -33.001 -0.084 (0) - SnF2 9.100e-35 9.100e-35 -34.041 -34.041 0.000 (0) - SnF3- 9.404e-37 7.754e-37 -36.027 -36.110 -0.084 (0) -Fe(2) 3.677e-04 - Fe+2 3.604e-04 1.666e-04 -3.443 -3.778 -0.335 (0) - Fe(SO4) 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - Fe(OH)+ 6.387e-07 5.266e-07 -6.195 -6.278 -0.084 (0) - Fe(CO3) 4.749e-07 4.749e-07 -6.323 -6.323 0.000 (0) - Fe(HPO4) 2.386e-07 2.386e-07 -6.622 -6.622 0.000 (0) - FeCl+ 2.117e-07 1.746e-07 -6.674 -6.758 -0.084 (0) - FeHCO3+ 6.923e-08 5.709e-08 -7.160 -7.243 -0.084 (0) - Fe(H2PO4)+ 5.774e-08 4.761e-08 -7.239 -7.322 -0.084 (0) - FeF+ 4.227e-08 3.486e-08 -7.374 -7.458 -0.084 (0) - Fe(NH3)+2 9.018e-09 4.169e-09 -8.045 -8.380 -0.335 (0) - FeCO3OH- 1.097e-09 9.042e-10 -8.960 -9.044 -0.084 (0) - Fe(OH)2 4.181e-11 4.181e-11 -10.379 -10.379 0.000 (0) - FeCl2 2.899e-11 2.899e-11 -10.538 -10.538 0.000 (0) - Fe(HSO4)+ 4.941e-12 4.075e-12 -11.306 -11.390 -0.084 (0) - FeCl3- 9.250e-13 7.627e-13 -12.034 -12.118 -0.084 (0) - Fe(CO3)2-2 3.439e-13 1.590e-13 -12.464 -12.799 -0.335 (0) - Fe(NH3)2+2 7.135e-14 3.299e-14 -13.147 -13.482 -0.335 (0) - Fe(OH)3- 2.539e-15 2.094e-15 -14.595 -14.679 -0.084 (0) - Fe(SeO4) 1.511e-19 1.511e-19 -18.821 -18.821 0.000 (0) - Fe(OH)4-2 3.595e-22 1.662e-22 -21.444 -21.779 -0.335 (0) - Fe(NH3)4+2 3.548e-24 1.641e-24 -23.450 -23.785 -0.335 (0) - Fe(HS)+ 0.000e+00 0.000e+00 -64.345 -64.429 -0.084 (0) - Fe(HS)2 0.000e+00 0.000e+00 -127.310 -127.310 0.000 (0) -Fe(3) 6.323e-04 - FeCO3OH 5.449e-04 5.449e-04 -3.264 -3.264 0.000 (0) - Fe(OH)3 4.477e-05 4.477e-05 -4.349 -4.349 0.000 (0) - Fe(OH)2+ 4.217e-05 3.477e-05 -4.375 -4.459 -0.084 (0) - Fe(OH)4- 4.948e-07 4.080e-07 -6.306 -6.389 -0.084 (0) - Fe(OH)+2 2.272e-08 1.051e-08 -7.644 -7.978 -0.335 (0) - Fe(H3SiO4)+2 2.889e-10 1.336e-10 -9.539 -9.874 -0.335 (0) - Fe(B(OH)4)2+ 1.871e-10 1.543e-10 -9.728 -9.812 -0.084 (0) - Fe(B(OH)4)+2 7.000e-11 3.237e-11 -10.155 -10.490 -0.335 (0) - Fe(HPO4)+ 4.915e-11 4.053e-11 -10.309 -10.392 -0.084 (0) - FeF+2 9.939e-12 4.595e-12 -11.003 -11.338 -0.335 (0) - FeF2+ 5.453e-12 4.496e-12 -11.263 -11.347 -0.084 (0) - Fe+3 9.239e-13 1.629e-13 -12.034 -12.788 -0.754 (0) - Fe(SO4)+ 5.174e-13 4.267e-13 -12.286 -12.370 -0.084 (0) - Fe(CO3)3-3 3.162e-13 5.574e-14 -12.500 -13.254 -0.754 (0) - FeF3 1.490e-13 1.490e-13 -12.827 -12.827 0.000 (0) - Fe2(OH)2+4 6.504e-14 2.972e-15 -13.187 -14.527 -1.340 (0) - Fe(SeO3)+ 5.409e-14 4.460e-14 -13.267 -13.351 -0.084 (0) - Fe(H2PO4)+2 5.404e-14 2.499e-14 -13.267 -13.602 -0.335 (0) - FeCl+2 6.715e-15 3.105e-15 -14.173 -14.508 -0.335 (0) - Fe3(OH)4+5 2.680e-15 2.159e-17 -14.572 -16.666 -2.094 (0) - Fe(SO4)2- 2.149e-15 1.772e-15 -14.668 -14.752 -0.084 (0) - FeBr+2 8.494e-16 3.927e-16 -15.071 -15.406 -0.335 (0) - FeI+2 2.291e-16 1.059e-16 -15.640 -15.975 -0.335 (0) - FeCl2+ 1.432e-17 1.181e-17 -16.844 -16.928 -0.084 (0) - FeBr2+ 3.632e-19 2.995e-19 -18.440 -18.524 -0.084 (0) - FeHSO4+2 2.163e-19 1.000e-19 -18.665 -19.000 -0.335 (0) - Fe(HSeO3)+2 1.529e-19 7.069e-20 -18.816 -19.151 -0.335 (0) - FeCrO4+ 6.303e-21 5.198e-21 -20.200 -20.284 -0.084 (0) - FeCl3 9.603e-22 9.603e-22 -21.018 -21.018 0.000 (0) - FeCl4- 1.063e-26 8.762e-27 -25.974 -26.057 -0.084 (0) - Fe(NO3)+2 3.930e-33 1.817e-33 -32.406 -32.741 -0.335 (0) - FeS2O3+ 0.000e+00 0.000e+00 -79.607 -79.690 -0.084 (0) + Al(OH)2F 3.704e-04 3.704e-04 -3.431 -3.431 0.000 (0) + MnF2 1.600e-04 1.600e-04 -3.796 -3.796 0.000 (0) + EuF+2 8.260e-05 3.775e-05 -4.083 -4.423 -0.340 (0) + HoF+2 7.693e-05 3.516e-05 -4.114 -4.454 -0.340 (0) + SmF+2 6.641e-05 3.035e-05 -4.178 -4.518 -0.340 (0) + F- 2.414e-05 1.985e-05 -4.617 -4.702 -0.085 (0) + BeF+ 1.199e-05 9.858e-06 -4.921 -5.006 -0.085 (0) + AmF+2 8.399e-06 3.839e-06 -5.076 -5.416 -0.340 (0) + CmF+2 8.362e-06 3.820e-06 -5.078 -5.418 -0.340 (0) + AlF2+ 4.593e-06 3.776e-06 -5.338 -5.423 -0.085 (0) + BeF2 2.764e-06 2.764e-06 -5.558 -5.558 0.000 (0) + MnF3- 1.538e-06 1.265e-06 -5.813 -5.898 -0.085 (0) + Al(OH)2F2- 1.484e-06 1.220e-06 -5.828 -5.914 -0.085 (0) + AlF+2 1.257e-06 5.745e-07 -5.901 -6.241 -0.340 (0) + AlF3 8.411e-07 8.411e-07 -6.075 -6.075 0.000 (0) + MgF+ 6.841e-07 5.625e-07 -6.165 -6.250 -0.085 (0) + PbF+ 5.001e-07 4.113e-07 -6.301 -6.386 -0.085 (0) + NpO2F 4.049e-07 4.049e-07 -6.393 -6.393 0.000 (0) + CoF+ 3.405e-07 2.799e-07 -6.468 -6.553 -0.085 (0) + NiF+ 2.634e-07 2.166e-07 -6.579 -6.664 -0.085 (0) + UO2CO3F- 1.707e-07 1.403e-07 -6.768 -6.853 -0.085 (0) + EuF2+ 1.512e-07 1.244e-07 -6.820 -6.905 -0.085 (0) + RbF 1.421e-07 1.421e-07 -6.847 -6.847 0.000 (0) + HoF2+ 1.315e-07 1.081e-07 -6.881 -6.966 -0.085 (0) + SmF2+ 1.216e-07 9.999e-08 -6.915 -7.000 -0.085 (0) + CaF+ 9.148e-08 7.521e-08 -7.039 -7.124 -0.085 (0) + CmF3 9.071e-08 9.071e-08 -7.042 -7.042 0.000 (0) + MnF+ 6.330e-08 5.204e-08 -7.199 -7.284 -0.085 (0) + HfF4 6.281e-08 6.281e-08 -7.202 -7.202 0.000 (0) + UO2F+ 4.373e-08 3.596e-08 -7.359 -7.444 -0.085 (0) + AmF3 3.979e-08 3.979e-08 -7.400 -7.400 0.000 (0) + BeF3- 3.930e-08 3.231e-08 -7.406 -7.491 -0.085 (0) + FeF+ 3.194e-08 2.626e-08 -7.496 -7.581 -0.085 (0) + RaF+ 3.162e-08 2.599e-08 -7.500 -7.585 -0.085 (0) + EuF3 2.770e-08 2.770e-08 -7.557 -7.557 0.000 (0) + BaF+ 2.648e-08 2.177e-08 -7.577 -7.662 -0.085 (0) + AmF2+ 2.328e-08 1.914e-08 -7.633 -7.718 -0.085 (0) + CmF2+ 2.317e-08 1.905e-08 -7.635 -7.720 -0.085 (0) + SrF+ 2.159e-08 1.775e-08 -7.666 -7.751 -0.085 (0) + CsF 6.796e-09 6.796e-09 -8.168 -8.168 0.000 (0) + NaF 5.791e-09 5.791e-09 -8.237 -8.237 0.000 (0) + AlF4- 4.872e-09 4.005e-09 -8.312 -8.397 -0.085 (0) + UO2F2 3.339e-09 3.339e-09 -8.476 -8.476 0.000 (0) + MnF4-2 3.162e-09 1.445e-09 -8.500 -8.840 -0.340 (0) + HfF3+ 1.800e-09 1.480e-09 -8.745 -8.830 -0.085 (0) + ThF4 1.513e-09 1.513e-09 -8.820 -8.820 0.000 (0) + CrF+2 1.490e-09 6.807e-10 -8.827 -9.167 -0.340 (0) + BF(OH)3- 1.476e-09 1.214e-09 -8.831 -8.916 -0.085 (0) + ThF3+ 1.140e-09 9.375e-10 -8.943 -9.028 -0.085 (0) + ThF2+2 9.428e-10 4.307e-10 -9.026 -9.366 -0.340 (0) + UO2CO3F2-2 4.520e-10 2.065e-10 -9.345 -9.685 -0.340 (0) + CrF2+ 2.069e-10 1.701e-10 -9.684 -9.769 -0.085 (0) + PbF2 4.486e-11 4.486e-11 -10.348 -10.348 0.000 (0) + NpO2F2- 3.092e-11 2.542e-11 -10.510 -10.595 -0.085 (0) + ThF+3 2.197e-11 3.770e-12 -10.658 -11.424 -0.766 (0) + AlOHF2 1.935e-11 1.935e-11 -10.713 -10.713 0.000 (0) + SrF2 1.849e-11 1.849e-11 -10.733 -10.733 0.000 (0) + BeF4-2 1.404e-11 6.415e-12 -10.853 -11.193 -0.340 (0) + HfF2+2 9.610e-12 4.390e-12 -11.017 -11.358 -0.340 (0) + UO2F3- 9.474e-12 7.787e-12 -11.023 -11.109 -0.085 (0) + MnF5-3 3.335e-12 5.722e-13 -11.477 -12.242 -0.766 (0) + PuO2F 2.959e-12 2.959e-12 -11.529 -11.529 0.000 (0) + CrF3 1.344e-12 1.344e-12 -11.871 -11.871 0.000 (0) + FeF+2 1.258e-12 5.745e-13 -11.900 -12.241 -0.340 (0) + BF2(OH)2- 3.142e-13 2.583e-13 -12.503 -12.588 -0.085 (0) + FeF2+ 2.898e-13 2.383e-13 -12.538 -12.623 -0.085 (0) + UO2CO3F3-3 1.542e-13 2.647e-14 -12.812 -13.577 -0.766 (0) + HfF+3 3.550e-15 6.091e-16 -14.450 -15.215 -0.766 (0) + UO2F4-2 2.949e-15 1.346e-15 -14.530 -14.871 -0.341 (0) + MnF6-4 1.645e-15 7.166e-17 -14.784 -16.145 -1.361 (0) + PuF2+2 1.147e-16 5.243e-17 -15.940 -16.280 -0.340 (0) + PuF3+ 3.253e-17 2.675e-17 -16.488 -16.573 -0.085 (0) + PuF+3 2.124e-18 3.646e-19 -17.673 -18.438 -0.765 (0) + NpF4 1.825e-18 1.825e-18 -17.739 -17.739 0.000 (0) + BF3(OH)- 6.844e-19 5.626e-19 -18.165 -18.250 -0.085 (0) + NpF2+2 5.699e-19 2.605e-19 -18.244 -18.584 -0.340 (0) + NpO2F+ 1.872e-19 1.540e-19 -18.728 -18.813 -0.085 (0) + NpF3+ 1.408e-19 1.157e-19 -18.852 -18.936 -0.085 (0) + ZrF4 2.011e-20 2.011e-20 -19.697 -19.697 0.000 (0) + ZrF5- 1.501e-20 1.233e-20 -19.824 -19.909 -0.085 (0) + NpF+3 1.391e-20 2.387e-21 -19.857 -20.622 -0.766 (0) + PuO2F+ 1.248e-20 1.026e-20 -19.904 -19.989 -0.085 (0) + ZrF3+ 5.019e-21 4.126e-21 -20.299 -20.384 -0.085 (0) + NpO2F2 3.275e-21 3.275e-21 -20.485 -20.485 0.000 (0) + ZrF6-2 1.735e-21 7.924e-22 -20.761 -21.101 -0.340 (0) + ZrF2+2 3.076e-22 1.405e-22 -21.512 -21.852 -0.340 (0) + PuO2F2 9.977e-23 9.977e-23 -22.001 -22.001 0.000 (0) + BF4- 5.538e-24 4.553e-24 -23.257 -23.342 -0.085 (0) + PuO2F3- 5.270e-25 4.333e-25 -24.278 -24.363 -0.085 (0) + SbF3 2.951e-25 2.951e-25 -24.530 -24.530 0.000 (0) + ZrF+3 1.533e-25 2.630e-26 -24.814 -25.580 -0.766 (0) + SbF2+ 3.001e-26 2.467e-26 -25.523 -25.608 -0.085 (0) + SbF+2 2.424e-27 1.108e-27 -26.615 -26.956 -0.340 (0) + UF3+ 1.016e-27 8.354e-28 -26.993 -27.078 -0.085 (0) + UF4 4.674e-28 4.674e-28 -27.330 -27.330 0.000 (0) + UF2+2 4.308e-28 1.968e-28 -27.366 -27.706 -0.340 (0) + UF+3 4.186e-30 7.184e-31 -29.378 -30.144 -0.765 (0) + UF5- 2.770e-31 2.278e-31 -30.557 -30.643 -0.085 (0) + UF6-2 1.163e-33 5.312e-34 -32.934 -33.275 -0.340 (0) + SnF+ 1.150e-33 9.459e-34 -32.939 -33.024 -0.085 (0) + SnF2 8.196e-35 8.196e-35 -34.086 -34.086 0.000 (0) + SnF3- 8.062e-37 6.628e-37 -36.094 -36.179 -0.085 (0) +Fe(2) 5.974e-05 + Fe+2 5.775e-05 2.639e-05 -4.238 -4.578 -0.340 (0) + Fe(SO4) 1.471e-06 1.471e-06 -5.833 -5.833 0.000 (0) + FeCl+ 2.416e-07 1.987e-07 -6.617 -6.702 -0.085 (0) + Fe(OH)+ 1.804e-07 1.483e-07 -6.744 -6.829 -0.085 (0) + FeCO3 5.531e-08 5.531e-08 -7.257 -7.257 0.000 (0) + FeF+ 3.194e-08 2.626e-08 -7.496 -7.581 -0.085 (0) + Fe(HPO4) 7.558e-09 7.558e-09 -8.122 -8.122 0.000 (0) + Fe(H2PO4)+ 1.877e-09 1.543e-09 -8.727 -8.812 -0.085 (0) + Fe(NH3)+2 1.681e-09 7.681e-10 -8.774 -9.115 -0.340 (0) + Fe(OH)2 3.810e-12 3.810e-12 -11.419 -11.419 0.000 (0) + Fe(SeO4) 1.373e-13 1.373e-13 -12.862 -12.862 0.000 (0) + Fe(CO3)2-2 8.024e-14 3.666e-14 -13.096 -13.436 -0.340 (0) + Fe(NH3)2+2 1.547e-14 7.068e-15 -13.810 -14.151 -0.340 (0) + Fe(OH)3- 4.632e-18 3.808e-18 -17.334 -17.419 -0.085 (0) + Fe(OH)4-2 2.758e-23 1.260e-23 -22.559 -22.900 -0.340 (0) + Fe(NH3)4+2 1.041e-24 4.754e-25 -23.983 -24.323 -0.340 (0) + Fe(HS)+ 0.000e+00 0.000e+00 -65.156 -65.241 -0.085 (0) + Fe(HS)2 0.000e+00 0.000e+00 -128.134 -128.134 0.000 (0) +Fe(3) 9.403e-04 + Fe(PO4) 7.558e-04 7.558e-04 -3.122 -3.122 0.000 (0) + Fe(OH)CO3 1.326e-04 1.326e-04 -3.877 -3.877 0.000 (0) + Fe(OH)2+ 4.529e-05 3.723e-05 -4.344 -4.429 -0.085 (0) + Fe(OH)3 6.466e-06 6.466e-06 -5.189 -5.189 0.000 (0) + Fe(OH)4- 7.169e-08 5.894e-08 -7.145 -7.230 -0.085 (0) + Fe(SeO3)+ 4.499e-08 3.698e-08 -7.347 -7.432 -0.085 (0) + Fe(OH)+2 3.642e-09 1.664e-09 -8.439 -8.779 -0.340 (0) + Fe(B(OH)4)2+ 4.882e-11 4.014e-11 -10.311 -10.396 -0.085 (0) + Fe(H3SiO4)+2 3.752e-11 1.714e-11 -10.426 -10.766 -0.340 (0) + Fe(B(OH)4)+2 1.373e-11 6.274e-12 -10.862 -11.202 -0.340 (0) + FeF+2 1.258e-12 5.745e-13 -11.900 -12.241 -0.340 (0) + FeF2+ 2.898e-13 2.383e-13 -12.538 -12.623 -0.085 (0) + Fe(CO3)3-3 1.955e-13 3.354e-14 -12.709 -13.474 -0.766 (0) + Fe+3 1.369e-13 2.352e-14 -12.864 -13.628 -0.765 (0) + Fe(HSeO3)+2 1.283e-13 5.862e-14 -12.892 -13.232 -0.340 (0) + Fe(SO4)+ 1.029e-13 8.462e-14 -12.987 -13.073 -0.085 (0) + Fe(SO4)2- 1.943e-15 1.598e-15 -14.711 -14.797 -0.085 (0) + Fe2(OH)2+4 1.920e-15 8.365e-17 -14.717 -16.078 -1.361 (0) + Fe(H2PO4)+2 1.617e-15 7.386e-16 -14.791 -15.132 -0.340 (0) + FeCl+2 1.282e-15 5.863e-16 -14.892 -15.232 -0.340 (0) + FeBr+2 1.248e-16 5.702e-17 -15.904 -16.244 -0.340 (0) + FeI+2 3.358e-17 1.534e-17 -16.474 -16.814 -0.340 (0) + Fe3(OH)4+5 8.707e-18 6.507e-20 -17.060 -19.187 -2.126 (0) + FeCl2+ 2.690e-18 2.212e-18 -17.570 -17.655 -0.085 (0) + FeBr2+ 5.316e-20 4.370e-20 -19.274 -19.359 -0.085 (0) + FeCrO4+ 9.132e-22 7.508e-22 -21.039 -21.124 -0.085 (0) + FeCl3 1.050e-22 1.050e-22 -21.979 -21.979 0.000 (0) + FeCl4- 9.615e-28 7.905e-28 -27.017 -27.102 -0.085 (0) + Fe(NO3)+2 8.410e-34 3.842e-34 -33.075 -33.415 -0.340 (0) + FeS2O3+ 0.000e+00 0.000e+00 -80.460 -80.545 -0.085 (0) H(0) 1.664e-25 - H2 8.319e-26 8.319e-26 -25.080 -25.080 0.000 (0) + H2 8.318e-26 8.318e-26 -25.080 -25.080 0.000 (0) Hf 1.000e-03 - Hf(OH)4 9.904e-04 9.904e-04 -3.004 -3.004 0.000 (0) - Hf(OH)5- 9.534e-06 7.862e-06 -5.021 -5.104 -0.084 (0) - HfF4 7.743e-08 7.743e-08 -7.111 -7.111 0.000 (0) - Hf(CO3)4-4 3.135e-09 1.432e-10 -8.504 -9.844 -1.340 (0) - HfF3+ 2.100e-09 1.731e-09 -8.678 -8.762 -0.084 (0) - Hf(OH)6-2 5.374e-11 2.485e-11 -10.270 -10.605 -0.335 (0) - HfF2+2 1.054e-11 4.874e-12 -10.977 -11.312 -0.335 (0) - Hf(OH)+3 5.629e-13 9.923e-14 -12.250 -13.003 -0.754 (0) - HfF+3 3.641e-15 6.418e-16 -14.439 -15.193 -0.754 (0) - Hf(SO4)2 8.780e-18 8.780e-18 -17.056 -17.056 0.000 (0) - HfSO4+2 8.133e-18 3.760e-18 -17.090 -17.425 -0.335 (0) - Hf+4 3.437e-19 1.574e-20 -18.464 -19.803 -1.339 (0) - HfCl+3 1.074e-20 1.893e-21 -19.969 -20.723 -0.754 (0) - HfBr+3 1.030e-22 1.816e-23 -21.987 -22.741 -0.754 (0) - HfCl2+2 2.200e-24 1.017e-24 -23.658 -23.993 -0.335 (0) - HfI+3 4.830e-25 8.514e-26 -24.316 -25.070 -0.754 (0) - HfNO3+3 7.913e-39 1.395e-39 -38.102 -38.855 -0.754 (0) - Hf(NO3)2+2 0.000e+00 0.000e+00 -58.783 -59.118 -0.335 (0) -Hg(1) 4.069e-10 - Hg2+2 2.035e-10 9.408e-11 -9.692 -10.026 -0.335 (0) -Hg(2) 1.000e-03 - HgSe 1.000e-03 1.000e-03 -3.000 -3.000 0.000 (0) - Hg+2 8.446e-17 3.906e-17 -16.073 -16.408 -0.335 (0) - Hg(SeO3)2-2 2.249e-25 1.040e-25 -24.648 -24.983 -0.335 (0) - HgSe2-2 1.560e-32 7.215e-33 -31.807 -32.142 -0.335 (0) + Hf(OH)4 9.903e-04 9.903e-04 -3.004 -3.004 0.000 (0) + Hf(OH)5- 9.562e-06 7.861e-06 -5.019 -5.105 -0.085 (0) + HfF4 6.281e-08 6.281e-08 -7.202 -7.202 0.000 (0) + Hf(CO3)4-4 4.604e-08 2.006e-09 -7.337 -8.698 -1.361 (0) + HfF3+ 1.800e-09 1.480e-09 -8.745 -8.830 -0.085 (0) + Hf(OH)6-2 5.438e-11 2.484e-11 -10.265 -10.605 -0.340 (0) + HfF2+2 9.610e-12 4.390e-12 -11.017 -11.358 -0.340 (0) + Hf(OH)+3 5.783e-13 9.922e-14 -12.238 -13.003 -0.766 (0) + HfF+3 3.550e-15 6.091e-16 -14.450 -15.215 -0.766 (0) + Hf(SO4)2 8.295e-18 8.295e-18 -17.081 -17.081 0.000 (0) + HfSO4+2 8.000e-18 3.655e-18 -17.097 -17.437 -0.340 (0) + Hf+4 3.606e-19 1.574e-20 -18.443 -19.803 -1.360 (0) + HfCl+3 1.094e-20 1.877e-21 -19.961 -20.727 -0.766 (0) + HfBr+3 1.064e-22 1.826e-23 -21.973 -22.739 -0.766 (0) + HfCl2+2 2.189e-24 1.000e-24 -23.660 -24.000 -0.340 (0) + HfI+3 4.974e-25 8.535e-26 -24.303 -25.069 -0.766 (0) + HfNO3+3 1.190e-38 2.041e-39 -37.925 -38.690 -0.766 (0) + Hf(NO3)2+2 0.000e+00 0.000e+00 -58.447 -58.787 -0.340 (0) +Hg(1) 9.976e-04 + Hg2(OH)+ 4.900e-04 4.028e-04 -3.310 -3.395 -0.085 (0) + Hg2+2 8.823e-06 4.031e-06 -5.054 -5.395 -0.340 (0) +Hg(2) 2.440e-06 + Hg(OH)Cl 1.132e-06 1.132e-06 -5.946 -5.946 0.000 (0) + Hg(OH)2 8.455e-07 8.455e-07 -6.073 -6.073 0.000 (0) + HgCl2 4.580e-07 4.580e-07 -6.339 -6.339 0.000 (0) + HgCl3- 3.569e-09 2.934e-09 -8.448 -8.533 -0.085 (0) + HgPO4- 2.689e-10 2.211e-10 -9.570 -9.655 -0.085 (0) + Hg(OH)CO3- 2.365e-10 1.944e-10 -9.626 -9.711 -0.085 (0) + HgCl+ 1.511e-10 1.242e-10 -9.821 -9.906 -0.085 (0) + Hg(OH)+ 3.913e-11 3.217e-11 -10.408 -10.493 -0.085 (0) + Hg(CO3) 2.686e-11 2.686e-11 -10.571 -10.571 0.000 (0) + HgCl4-2 1.969e-11 8.997e-12 -10.706 -11.046 -0.340 (0) + HgHPO4 6.832e-12 6.832e-12 -11.165 -11.165 0.000 (0) + Hg(HCO3)+ 6.984e-14 5.741e-14 -13.156 -13.241 -0.085 (0) + Hg+2 1.770e-14 8.085e-15 -13.752 -14.092 -0.340 (0) + Hg(OH)3- 7.797e-15 6.410e-15 -14.108 -14.193 -0.085 (0) + HgSO4 7.828e-16 7.828e-16 -15.106 -15.106 0.000 (0) + Hg2(OH)+3 1.781e-24 3.056e-25 -23.749 -24.515 -0.766 (0) + Hg3(OH)3+3 1.169e-27 2.006e-28 -26.932 -27.698 -0.766 (0) + HgS 0.000e+00 0.000e+00 -45.595 -45.595 0.000 (0) + Hg(HS)+ 0.000e+00 0.000e+00 -48.510 -48.595 -0.085 (0) + CH3HgOH 0.000e+00 0.000e+00 -73.640 -73.640 0.000 (0) + CH3HgCl 0.000e+00 0.000e+00 -73.784 -73.784 0.000 (0) + CH3Hg+ 0.000e+00 0.000e+00 -76.025 -76.110 -0.085 (0) + CH3HgSO4- 0.000e+00 0.000e+00 -77.079 -77.164 -0.085 (0) + CH3HgCO3- 0.000e+00 0.000e+00 -77.874 -77.959 -0.085 (0) + CH3HgHCO3 0.000e+00 0.000e+00 -78.129 -78.129 0.000 (0) + HgS(HS)- 0.000e+00 0.000e+00 -105.013 -105.098 -0.085 (0) + HgS2-2 0.000e+00 0.000e+00 -106.258 -106.598 -0.340 (0) + Hg(HS)2 0.000e+00 0.000e+00 -106.598 -106.598 0.000 (0) + (CH3)2Hg 0.000e+00 0.000e+00 -125.128 -125.128 0.000 (0) + CH3HgSH 0.000e+00 0.000e+00 -126.613 -126.613 0.000 (0) + CH3HgS- 0.000e+00 0.000e+00 -130.028 -130.113 -0.085 (0) + (CH3Hg)2OH+ 0.000e+00 0.000e+00 -147.286 -147.371 -0.085 (0) Ho 1.000e-03 - Ho(PO4) 3.796e-04 3.796e-04 -3.421 -3.421 0.000 (0) - Ho+3 3.365e-04 5.934e-05 -3.473 -4.227 -0.754 (0) - HoSiO(OH)3+2 1.102e-04 5.097e-05 -3.958 -4.293 -0.335 (0) - HoF+2 5.737e-05 2.654e-05 -4.241 -4.576 -0.335 (0) - Ho(CO3)+ 4.186e-05 3.453e-05 -4.378 -4.462 -0.084 (0) - Ho(SO4)+ 3.761e-05 3.102e-05 -4.425 -4.508 -0.084 (0) - Ho(HPO4)+ 1.633e-05 1.347e-05 -4.787 -4.871 -0.084 (0) - Ho(OH)+2 1.615e-05 7.466e-06 -4.792 -5.127 -0.335 (0) - Ho(PO4)2-3 1.734e-06 3.056e-07 -5.761 -6.515 -0.754 (0) - Ho(OH)2+ 1.435e-06 1.182e-06 -5.843 -5.927 -0.084 (0) - HoCl+2 5.350e-07 2.475e-07 -6.272 -6.606 -0.335 (0) - Ho(SO4)2- 2.476e-07 2.041e-07 -6.606 -6.690 -0.084 (0) - Ho(HCO3)+2 2.361e-07 1.092e-07 -6.627 -6.962 -0.335 (0) - HoF2+ 1.042e-07 8.597e-08 -6.982 -7.066 -0.084 (0) - Ho(HPO4)2- 7.395e-08 6.098e-08 -7.131 -7.215 -0.084 (0) - Ho(CO3)2- 4.862e-08 4.008e-08 -7.313 -7.397 -0.084 (0) - Ho(H2PO4)+2 1.493e-08 6.907e-09 -7.826 -8.161 -0.335 (0) - Ho(OH)3 3.737e-10 3.737e-10 -9.428 -9.428 0.000 (0) - HoCl2+ 2.125e-11 1.753e-11 -10.673 -10.756 -0.084 (0) - Ca(Ho(OH)3)+2 2.824e-13 1.305e-13 -12.549 -12.884 -0.335 (0) - Ho(CO3)3-3 4.185e-14 7.374e-15 -13.378 -14.132 -0.754 (0) - Ho(OH)4- 1.432e-17 1.181e-17 -16.844 -16.928 -0.084 (0) - Ca2(Ho(OH)4)+3 4.098e-20 7.223e-21 -19.387 -20.141 -0.754 (0) - Ho(NO3)+2 5.079e-25 2.349e-25 -24.294 -24.629 -0.335 (0) - Ca3(Ho(OH)6)+3 5.692e-33 1.003e-33 -32.245 -32.999 -0.754 (0) + Ho+3 4.826e-04 8.284e-05 -3.316 -4.082 -0.765 (0) + HoSiO(OH)3+2 1.384e-04 6.320e-05 -3.859 -4.199 -0.340 (0) + Ho(CO3)+ 1.134e-04 9.324e-05 -3.945 -4.030 -0.085 (0) + Ho(PO4) 1.060e-04 1.060e-04 -3.975 -3.975 0.000 (0) + HoF+2 7.693e-05 3.516e-05 -4.114 -4.454 -0.340 (0) + Ho(SO4)+ 5.118e-05 4.209e-05 -4.291 -4.376 -0.085 (0) + Ho(OH)+2 2.282e-05 1.042e-05 -4.642 -4.982 -0.340 (0) + Ho(HPO4)+ 4.573e-06 3.760e-06 -5.340 -5.425 -0.085 (0) + Ho(OH)2+ 2.009e-06 1.651e-06 -5.697 -5.782 -0.085 (0) + HoCl+2 7.497e-07 3.427e-07 -6.125 -6.465 -0.340 (0) + Ho(HCO3)+2 6.454e-07 2.948e-07 -6.190 -6.530 -0.340 (0) + Ho(SO4)2- 3.276e-07 2.693e-07 -6.485 -6.570 -0.085 (0) + Ho(CO3)2- 2.548e-07 2.094e-07 -6.594 -6.679 -0.085 (0) + HoF2+ 1.315e-07 1.081e-07 -6.881 -6.966 -0.085 (0) + Ho(PO4)2-3 9.944e-08 1.706e-08 -7.002 -7.768 -0.766 (0) + Ho(H2PO4)+2 4.219e-09 1.928e-09 -8.375 -8.715 -0.340 (0) + Ho(HPO4)2- 4.141e-09 3.404e-09 -8.383 -8.468 -0.085 (0) + Ho(OH)3 5.217e-10 5.217e-10 -9.283 -9.283 0.000 (0) + HoCl2+ 2.927e-11 2.407e-11 -10.534 -10.619 -0.085 (0) + Ho(CO3)3-3 4.345e-13 7.452e-14 -12.362 -13.128 -0.766 (0) + Ca(Ho(OH)3)+2 3.946e-13 1.803e-13 -12.404 -12.744 -0.340 (0) + Ho(OH)4- 2.005e-17 1.649e-17 -16.698 -16.783 -0.085 (0) + Ca2(Ho(OH)4)+3 5.750e-20 9.866e-21 -19.240 -20.006 -0.766 (0) + Ho(NO3)+2 1.050e-24 4.801e-25 -23.979 -24.319 -0.340 (0) + Ca3(Ho(OH)6)+3 7.899e-33 1.355e-33 -32.102 -32.868 -0.766 (0) I(-1) 1.000e-03 - AgI 3.744e-04 3.744e-04 -3.427 -3.427 0.000 (0) - AgI2- 3.092e-04 2.550e-04 -3.510 -3.593 -0.084 (0) - I- 6.265e-06 5.167e-06 -5.203 -5.287 -0.084 (0) - CdI+ 3.198e-07 2.638e-07 -6.495 -6.579 -0.084 (0) - PbI+ 2.004e-07 1.652e-07 -6.698 -6.782 -0.084 (0) - AgI3-2 1.083e-07 5.009e-08 -6.965 -7.300 -0.335 (0) - CsI 4.775e-08 4.775e-08 -7.321 -7.321 0.000 (0) - PdI+ 7.866e-09 6.486e-09 -8.104 -8.188 -0.084 (0) - MgI+ 4.307e-09 3.552e-09 -8.366 -8.450 -0.084 (0) - MnI+ 3.928e-09 3.239e-09 -8.406 -8.490 -0.084 (0) - SrI+ 3.920e-09 3.233e-09 -8.407 -8.490 -0.084 (0) - CaI+ 3.804e-09 3.137e-09 -8.420 -8.504 -0.084 (0) - RbI 6.157e-10 6.157e-10 -9.211 -9.211 0.000 (0) - PdI2 4.219e-10 4.219e-10 -9.375 -9.375 0.000 (0) - PdI4-2 3.363e-10 1.555e-10 -9.473 -9.808 -0.335 (0) - NaI 1.287e-10 1.287e-10 -9.891 -9.891 0.000 (0) - KI 1.147e-10 1.147e-10 -9.941 -9.941 0.000 (0) - CdI2 3.669e-11 3.669e-11 -10.436 -10.436 0.000 (0) - PdI3- 3.328e-11 2.744e-11 -10.478 -10.562 -0.084 (0) - PbI2 1.263e-11 1.263e-11 -10.899 -10.899 0.000 (0) - PuI+2 1.831e-13 8.471e-14 -12.737 -13.072 -0.335 (0) - MgI2 1.299e-14 1.299e-14 -13.886 -13.886 0.000 (0) - CaI2 1.121e-14 1.121e-14 -13.950 -13.950 0.000 (0) - SrI2 1.103e-14 1.103e-14 -13.957 -13.957 0.000 (0) - CdI3- 3.030e-15 2.499e-15 -14.519 -14.602 -0.084 (0) - PbI3- 3.617e-16 2.983e-16 -15.442 -15.525 -0.084 (0) - FeI+2 2.291e-16 1.059e-16 -15.640 -15.975 -0.335 (0) - CdI4-2 1.932e-19 8.932e-20 -18.714 -19.049 -0.335 (0) - PbI4-2 2.903e-21 1.342e-21 -20.537 -20.872 -0.335 (0) - HfI+3 4.830e-25 8.514e-26 -24.316 -25.070 -0.754 (0) - PuI+3 3.248e-26 5.727e-27 -25.488 -26.242 -0.754 (0) - I3- 1.131e-26 9.327e-27 -25.947 -26.030 -0.084 (0) - IO- 6.263e-28 5.164e-28 -27.203 -27.287 -0.084 (0) - NpI+3 1.230e-28 2.169e-29 -27.910 -28.664 -0.754 (0) - ICl2- 5.721e-31 4.717e-31 -30.243 -30.326 -0.084 (0) - SnI+ 9.226e-38 7.608e-38 -37.035 -37.119 -0.084 (0) - UI+3 8.141e-39 1.435e-39 -38.089 -38.843 -0.754 (0) - SnI2 0.000e+00 0.000e+00 -41.455 -41.455 0.000 (0) - UO2IO3+ 0.000e+00 0.000e+00 -56.611 -56.694 -0.084 (0) - IO4- 0.000e+00 0.000e+00 -82.184 -82.268 -0.084 (0) - UO2(IO3)2 0.000e+00 0.000e+00 -105.962 -105.962 0.000 (0) + AgI 3.731e-04 3.731e-04 -3.428 -3.428 0.000 (0) + AgI2- 3.099e-04 2.548e-04 -3.509 -3.594 -0.085 (0) + I- 6.299e-06 5.180e-06 -5.201 -5.286 -0.085 (0) + CdI+ 3.208e-07 2.638e-07 -6.494 -6.579 -0.085 (0) + AgI3-2 1.098e-07 5.018e-08 -6.959 -7.300 -0.340 (0) + PbI+ 6.694e-08 5.504e-08 -7.174 -7.259 -0.085 (0) + CsI 4.773e-08 4.773e-08 -7.321 -7.321 0.000 (0) + MgI+ 4.282e-09 3.521e-09 -8.368 -8.453 -0.085 (0) + PdI+ 4.031e-09 3.314e-09 -8.395 -8.480 -0.085 (0) + MnI+ 3.962e-09 3.258e-09 -8.402 -8.487 -0.085 (0) + SrI+ 3.898e-09 3.204e-09 -8.409 -8.494 -0.085 (0) + CaI+ 3.783e-09 3.110e-09 -8.422 -8.507 -0.085 (0) + RbI 6.154e-10 6.154e-10 -9.211 -9.211 0.000 (0) + PdI2 2.161e-10 2.161e-10 -9.665 -9.665 0.000 (0) + PdI4-2 1.752e-10 8.005e-11 -9.756 -10.097 -0.340 (0) + NaI 1.286e-10 1.286e-10 -9.891 -9.891 0.000 (0) + KI 1.146e-10 1.146e-10 -9.941 -9.941 0.000 (0) + CdI2 3.763e-11 3.763e-11 -10.424 -10.424 0.000 (0) + PdI3- 1.714e-11 1.409e-11 -10.766 -10.851 -0.085 (0) + PbI2 4.217e-12 4.217e-12 -11.375 -11.375 0.000 (0) + PuI+2 1.855e-13 8.478e-14 -12.732 -13.072 -0.340 (0) + MgI2 1.291e-14 1.291e-14 -13.889 -13.889 0.000 (0) + CaI2 1.115e-14 1.115e-14 -13.953 -13.953 0.000 (0) + SrI2 1.097e-14 1.097e-14 -13.960 -13.960 0.000 (0) + CdI3- 3.055e-15 2.511e-15 -14.515 -14.600 -0.085 (0) + PbI3- 1.214e-16 9.984e-17 -15.916 -16.001 -0.085 (0) + FeI+2 3.358e-17 1.534e-17 -16.474 -16.814 -0.340 (0) + CdI4-2 1.970e-19 9.000e-20 -18.706 -19.046 -0.340 (0) + PbI4-2 9.860e-22 4.504e-22 -21.006 -21.346 -0.340 (0) + HfI+3 4.974e-25 8.535e-26 -24.303 -25.069 -0.766 (0) + PuI+3 3.340e-26 5.732e-27 -25.476 -26.242 -0.765 (0) + I3- 1.143e-26 9.397e-27 -25.942 -26.027 -0.085 (0) + IO- 6.297e-28 5.177e-28 -27.201 -27.286 -0.085 (0) + NpI+3 1.259e-28 2.160e-29 -27.900 -28.666 -0.766 (0) + ICl2- 5.657e-31 4.651e-31 -30.247 -30.332 -0.085 (0) + SnI+ 9.277e-38 7.627e-38 -37.033 -37.118 -0.085 (0) + UI+3 7.386e-39 1.267e-39 -38.132 -38.897 -0.766 (0) + SnI2 0.000e+00 0.000e+00 -41.453 -41.453 0.000 (0) + UO2IO3+ 0.000e+00 0.000e+00 -56.663 -56.749 -0.085 (0) + IO4- 0.000e+00 0.000e+00 -82.182 -82.267 -0.085 (0) + UO2(IO3)2 0.000e+00 0.000e+00 -106.015 -106.015 0.000 (0) I(5) 0.000e+00 - IO3- 0.000e+00 0.000e+00 -50.764 -50.847 -0.084 (0) - Mn(IO3)+ 0.000e+00 0.000e+00 -53.356 -53.440 -0.084 (0) - Mg(IO3)+ 0.000e+00 0.000e+00 -53.406 -53.490 -0.084 (0) - Ca(IO3)+ 0.000e+00 0.000e+00 -53.720 -53.804 -0.084 (0) - Sr(IO3)+ 0.000e+00 0.000e+00 -53.777 -53.861 -0.084 (0) - Na(IO3) 0.000e+00 0.000e+00 -53.871 -53.871 0.000 (0) - K(IO3) 0.000e+00 0.000e+00 -53.911 -53.911 0.000 (0) - Al(IO3)+2 0.000e+00 0.000e+00 -56.579 -56.914 -0.335 (0) - Mn(IO3)2 0.000e+00 0.000e+00 -104.998 -104.998 0.000 (0) - Sr(IO3)2 0.000e+00 0.000e+00 -105.589 -105.589 0.000 (0) - Al(IO3)2+ 0.000e+00 0.000e+00 -105.838 -105.922 -0.084 (0) + IO3- 0.000e+00 0.000e+00 -50.761 -50.847 -0.085 (0) + Mn(IO3)+ 0.000e+00 0.000e+00 -53.353 -53.438 -0.085 (0) + Mg(IO3)+ 0.000e+00 0.000e+00 -53.409 -53.494 -0.085 (0) + Ca(IO3)+ 0.000e+00 0.000e+00 -53.723 -53.808 -0.085 (0) + Sr(IO3)+ 0.000e+00 0.000e+00 -53.780 -53.865 -0.085 (0) + Na(IO3) 0.000e+00 0.000e+00 -53.872 -53.872 0.000 (0) + K(IO3) 0.000e+00 0.000e+00 -53.912 -53.912 0.000 (0) + Al(IO3)+2 0.000e+00 0.000e+00 -56.565 -56.905 -0.340 (0) + Mn(IO3)2 0.000e+00 0.000e+00 -104.994 -104.994 0.000 (0) + Sr(IO3)2 0.000e+00 0.000e+00 -105.592 -105.592 0.000 (0) + Al(IO3)2+ 0.000e+00 0.000e+00 -105.827 -105.912 -0.085 (0) K 1.000e-03 - K+ 1.000e-03 8.246e-04 -3.000 -3.084 -0.084 (0) - KAl(OH)4 1.474e-08 1.474e-08 -7.832 -7.832 0.000 (0) - K(HPO4)- 2.322e-09 1.915e-09 -8.634 -8.718 -0.084 (0) - KH2PO4 1.325e-09 1.325e-09 -8.878 -8.878 0.000 (0) - KI 1.147e-10 1.147e-10 -9.941 -9.941 0.000 (0) - KPO4-2 5.717e-14 2.643e-14 -13.243 -13.578 -0.335 (0) - K(IO3) 0.000e+00 0.000e+00 -53.911 -53.911 0.000 (0) + K+ 1.000e-03 8.221e-04 -3.000 -3.085 -0.085 (0) + K(HPO4)- 4.644e-10 3.818e-10 -9.333 -9.418 -0.085 (0) + KI 1.146e-10 1.146e-10 -9.941 -9.941 0.000 (0) + KPO4-2 1.154e-14 5.270e-15 -13.938 -14.278 -0.340 (0) + K(IO3) 0.000e+00 0.000e+00 -53.912 -53.912 0.000 (0) Li 1.000e-03 - Li+ 1.000e-03 8.248e-04 -3.000 -3.084 -0.084 (0) + Li+ 1.000e-03 8.223e-04 -3.000 -3.085 -0.085 (0) Mg 1.000e-03 - Mg+2 9.819e-04 4.541e-04 -3.008 -3.343 -0.335 (0) - Mg(SO4) 1.605e-05 1.605e-05 -4.795 -4.795 0.000 (0) - MgCl+ 9.357e-07 7.716e-07 -6.029 -6.113 -0.084 (0) - MgF+ 7.268e-07 5.994e-07 -6.139 -6.222 -0.084 (0) - MgBr+ 1.920e-07 1.583e-07 -6.717 -6.801 -0.084 (0) - Mg(HPO4) 1.328e-07 1.328e-07 -6.877 -6.877 0.000 (0) - Mg(HCO3)+ 7.512e-08 6.194e-08 -7.124 -7.208 -0.084 (0) - Mg(OH)+ 1.150e-08 9.482e-09 -7.939 -8.023 -0.084 (0) - MgB(OH)4+ 1.146e-08 9.451e-09 -7.941 -8.025 -0.084 (0) - Mg(H2PO4)+ 4.752e-09 3.919e-09 -8.323 -8.407 -0.084 (0) - MgI+ 4.307e-09 3.552e-09 -8.366 -8.450 -0.084 (0) - Mg(CO3) 2.523e-09 2.523e-09 -8.598 -8.598 0.000 (0) - Mg(NH3)+2 1.551e-09 7.170e-10 -8.809 -9.145 -0.335 (0) - Mg(H3SiO4)+ 5.187e-10 4.277e-10 -9.285 -9.369 -0.084 (0) - Mg(PO4)- 6.264e-11 5.166e-11 -10.203 -10.287 -0.084 (0) - MgI2 1.299e-14 1.299e-14 -13.886 -13.886 0.000 (0) - Mg(SeO4) 1.272e-19 1.272e-19 -18.895 -18.895 0.000 (0) - Mg(NH3)3+2 9.708e-22 4.488e-22 -21.013 -21.348 -0.335 (0) - Mg4(OH)4+4 1.651e-24 7.545e-26 -23.782 -25.122 -1.340 (0) - Mg(NH3)4+2 2.429e-28 1.123e-28 -27.615 -27.950 -0.335 (0) - Mg(IO3)+ 0.000e+00 0.000e+00 -53.406 -53.490 -0.084 (0) - Mg(S2O3) 0.000e+00 0.000e+00 -72.325 -72.325 0.000 (0) + Mg+2 9.826e-04 4.491e-04 -3.008 -3.348 -0.340 (0) + Mg(SO4) 1.543e-05 1.543e-05 -4.812 -4.812 0.000 (0) + MgCl+ 9.204e-07 7.567e-07 -6.036 -6.121 -0.085 (0) + MgF+ 6.841e-07 5.625e-07 -6.165 -6.250 -0.085 (0) + MgBr+ 1.914e-07 1.573e-07 -6.718 -6.803 -0.085 (0) + Mg(HCO3)+ 1.441e-07 1.185e-07 -6.841 -6.926 -0.085 (0) + Mg(HPO4) 2.625e-08 2.625e-08 -7.581 -7.581 0.000 (0) + MgB(OH)4+ 1.525e-08 1.254e-08 -7.817 -7.902 -0.085 (0) + Mg(OH)+ 1.140e-08 9.376e-09 -7.943 -8.028 -0.085 (0) + Mg(CO3) 4.827e-09 4.827e-09 -8.316 -8.316 0.000 (0) + MgI+ 4.282e-09 3.521e-09 -8.368 -8.453 -0.085 (0) + MgUO2(CO3)3-2 2.783e-09 1.271e-09 -8.555 -8.896 -0.340 (0) + Mg(NH3)+2 1.805e-09 8.245e-10 -8.744 -9.084 -0.340 (0) + Mg(H2PO4)+ 9.424e-10 7.748e-10 -9.026 -9.111 -0.085 (0) + Mg(H3SiO4)+ 4.569e-10 3.757e-10 -9.340 -9.425 -0.085 (0) + Mg(PO4)- 1.242e-11 1.021e-11 -10.906 -10.991 -0.085 (0) + Mg2UO2(CO3)3 4.535e-12 4.535e-12 -11.343 -11.343 0.000 (0) + Mg(SeO4) 7.220e-13 7.220e-13 -12.141 -12.141 0.000 (0) + MgI2 1.291e-14 1.291e-14 -13.889 -13.889 0.000 (0) + Mg(NH3)2+2 2.091e-15 9.552e-16 -14.680 -15.020 -0.340 (0) + Mg(NH3)3+2 1.528e-21 6.982e-22 -20.816 -21.156 -0.340 (0) + Mg4(OH)4+4 1.656e-24 7.212e-26 -23.781 -25.142 -1.361 (0) + Mg(NH3)4+2 4.447e-28 2.032e-28 -27.352 -27.692 -0.340 (0) + Mg(IO3)+ 0.000e+00 0.000e+00 -53.409 -53.494 -0.085 (0) + Mg(S2O3) 0.000e+00 0.000e+00 -72.344 -72.344 0.000 (0) Mn 1.000e-03 - Mn+2 7.982e-04 3.692e-04 -3.098 -3.433 -0.335 (0) - MnF2 1.771e-04 1.771e-04 -3.752 -3.752 0.000 (0) - Mn(SO4) 1.366e-05 1.366e-05 -4.864 -4.864 0.000 (0) - Mn(CO3) 6.792e-06 6.792e-06 -5.168 -5.168 0.000 (0) - MnF3- 1.788e-06 1.475e-06 -5.748 -5.831 -0.084 (0) - Mn(HPO4) 1.183e-06 1.183e-06 -5.927 -5.927 0.000 (0) - MnCl+ 6.779e-07 5.590e-07 -6.169 -6.253 -0.084 (0) - MnBr+ 2.906e-07 2.396e-07 -6.537 -6.621 -0.084 (0) - Mn(OH)+ 1.150e-07 9.483e-08 -6.939 -7.023 -0.084 (0) - Mn(HCO3)+ 1.061e-07 8.750e-08 -6.974 -7.058 -0.084 (0) - MnF+ 6.629e-08 5.466e-08 -7.179 -7.262 -0.084 (0) - Mn(NH3)+2 5.018e-09 2.320e-09 -8.299 -8.634 -0.335 (0) - MnI+ 3.928e-09 3.239e-09 -8.406 -8.490 -0.084 (0) - MnF4-2 3.839e-09 1.775e-09 -8.416 -8.751 -0.335 (0) - Mn2(OH)+3 6.137e-10 1.082e-10 -9.212 -9.966 -0.754 (0) - MnCl2 3.781e-10 3.781e-10 -9.422 -9.422 0.000 (0) - Mn2(OH)3+ 2.077e-11 1.712e-11 -10.683 -10.766 -0.084 (0) - Mn(HPO4)2-2 2.061e-11 9.529e-12 -10.686 -11.021 -0.335 (0) - MnF5-3 4.202e-12 7.408e-13 -11.377 -12.130 -0.754 (0) - Mn(OH)2 2.326e-12 2.326e-12 -11.633 -11.633 0.000 (0) - MnCl3- 9.584e-14 7.903e-14 -13.018 -13.102 -0.084 (0) - Mn(NH3)2+2 1.990e-14 9.201e-15 -13.701 -14.036 -0.335 (0) - MnF6-4 2.139e-15 9.776e-17 -14.670 -16.010 -1.340 (0) - Mn(OH)3- 7.082e-18 5.839e-18 -17.150 -17.234 -0.084 (0) - Mn(SeO4) 1.756e-19 1.756e-19 -18.755 -18.755 0.000 (0) - Mn(OH)4-2 3.991e-24 1.845e-24 -23.399 -23.734 -0.335 (0) - Mn(NO3)+ 8.101e-25 6.680e-25 -24.091 -24.175 -0.084 (0) - Mn+3 6.472e-25 1.141e-25 -24.189 -24.943 -0.754 (0) - Mn(NO3)2 0.000e+00 0.000e+00 -44.738 -44.738 0.000 (0) - MnO4-3 0.000e+00 0.000e+00 -47.680 -48.434 -0.754 (0) - MnO4-2 0.000e+00 0.000e+00 -49.499 -49.834 -0.335 (0) - Mn(IO3)+ 0.000e+00 0.000e+00 -53.356 -53.440 -0.084 (0) - MnO4- 0.000e+00 0.000e+00 -55.130 -55.214 -0.084 (0) - Mn(S2O3) 0.000e+00 0.000e+00 -72.335 -72.335 0.000 (0) - Mn(IO3)2 0.000e+00 0.000e+00 -104.998 -104.998 0.000 (0) + Mn+2 8.104e-04 3.703e-04 -3.091 -3.431 -0.340 (0) + MnF2 1.600e-04 1.600e-04 -3.796 -3.796 0.000 (0) + Mn(SO4) 1.332e-05 1.332e-05 -4.875 -4.875 0.000 (0) + Mn(CO3) 1.318e-05 1.318e-05 -4.880 -4.880 0.000 (0) + MnF3- 1.538e-06 1.265e-06 -5.813 -5.898 -0.085 (0) + MnCl+ 6.313e-07 5.190e-07 -6.200 -6.285 -0.085 (0) + MnBr+ 2.939e-07 2.416e-07 -6.532 -6.617 -0.085 (0) + Mn(HPO4) 2.374e-07 2.374e-07 -6.625 -6.625 0.000 (0) + Mn(HCO3)+ 2.065e-07 1.698e-07 -6.685 -6.770 -0.085 (0) + Mn(OH)+ 1.157e-07 9.513e-08 -6.937 -7.022 -0.085 (0) + MnF+ 6.330e-08 5.204e-08 -7.199 -7.284 -0.085 (0) + Mn(NH3)+2 5.925e-09 2.707e-09 -8.227 -8.568 -0.340 (0) + MnI+ 3.962e-09 3.258e-09 -8.402 -8.487 -0.085 (0) + MnF4-2 3.162e-09 1.445e-09 -8.500 -8.840 -0.340 (0) + Mn2(OH)+3 6.345e-10 1.089e-10 -9.198 -9.963 -0.766 (0) + MnCl2 3.731e-10 3.731e-10 -9.428 -9.428 0.000 (0) + Mn2(OH)3+ 2.096e-11 1.723e-11 -10.679 -10.764 -0.085 (0) + MnF5-3 3.335e-12 5.722e-13 -11.477 -12.242 -0.766 (0) + Mn(OH)2 2.334e-12 2.334e-12 -11.632 -11.632 0.000 (0) + Mn(SeO4) 1.011e-12 1.011e-12 -11.995 -11.995 0.000 (0) + Mn(HPO4)2-2 8.367e-13 3.823e-13 -12.077 -12.418 -0.340 (0) + MnCl3- 9.407e-14 7.734e-14 -13.027 -13.112 -0.085 (0) + Mn(NH3)2+2 2.733e-14 1.248e-14 -13.563 -13.904 -0.340 (0) + MnF6-4 1.645e-15 7.166e-17 -14.784 -16.145 -1.361 (0) + Mn(OH)3- 7.125e-18 5.858e-18 -17.147 -17.232 -0.085 (0) + Mn(OH)4-2 4.052e-24 1.851e-24 -23.392 -23.733 -0.340 (0) + Mn(NO3)+ 1.193e-24 9.809e-25 -23.923 -24.008 -0.085 (0) + Mn+3 6.670e-25 1.144e-25 -24.176 -24.941 -0.766 (0) + Mn(NO3)2 0.000e+00 0.000e+00 -44.405 -44.405 0.000 (0) + MnO4-3 0.000e+00 0.000e+00 -47.667 -48.433 -0.766 (0) + MnO4-2 0.000e+00 0.000e+00 -49.522 -49.863 -0.340 (0) + Mn(IO3)+ 0.000e+00 0.000e+00 -53.353 -53.438 -0.085 (0) + MnO4- 0.000e+00 0.000e+00 -55.158 -55.243 -0.085 (0) + Mn(S2O3) 0.000e+00 0.000e+00 -72.348 -72.348 0.000 (0) + Mn(IO3)2 0.000e+00 0.000e+00 -104.994 -104.994 0.000 (0) Mo 1.000e-03 - MoO4-2 9.993e-04 4.621e-04 -3.000 -3.335 -0.335 (0) - HMoO4- 7.221e-07 5.953e-07 -6.141 -6.225 -0.084 (0) - H2MoO4 6.527e-10 6.527e-10 -9.185 -9.185 0.000 (0) - Mo2O5(OH)+ 2.592e-23 2.138e-23 -22.586 -22.670 -0.084 (0) - Mo7O24-6 1.048e-26 1.009e-29 -25.980 -28.996 -3.017 (0) - Mo7O23(OH)-5 9.097e-28 7.309e-30 -27.041 -29.136 -2.095 (0) - Mo7O22(OH)2-4 5.075e-30 2.312e-31 -29.295 -30.636 -1.341 (0) - Mo7O21(OH)3-3 7.747e-34 1.361e-34 -33.111 -33.866 -0.755 (0) - Mo+3 0.000e+00 0.000e+00 -48.820 -49.574 -0.754 (0) - Mo19O59-4 0.000e+00 0.000e+00 -103.726 -105.066 -1.340 (0) + MoO4-2 9.993e-04 4.566e-04 -3.000 -3.341 -0.340 (0) + HMoO4- 7.156e-07 5.881e-07 -6.145 -6.231 -0.085 (0) + H2MoO4 6.449e-10 6.449e-10 -9.191 -9.191 0.000 (0) + Mo2O5(OH)+ 2.539e-23 2.087e-23 -22.595 -22.680 -0.085 (0) + Mo7O24-6 1.074e-26 9.280e-30 -25.969 -29.032 -3.063 (0) + Mo7O23(OH)-5 9.019e-28 6.723e-30 -27.045 -29.172 -2.128 (0) + Mo7O22(OH)2-4 4.896e-30 2.126e-31 -29.310 -30.672 -1.362 (0) + Mo7O21(OH)3-3 7.320e-34 1.252e-34 -33.135 -33.902 -0.767 (0) + Mo+3 0.000e+00 0.000e+00 -48.814 -49.579 -0.766 (0) + Mo19O59-4 0.000e+00 0.000e+00 -103.804 -105.165 -1.361 (0) N(-3) 1.000e-03 - NH4+ 2.583e-04 2.130e-04 -3.588 -3.672 -0.084 (0) - Pd(NH3)4+2 1.687e-04 7.798e-05 -3.773 -4.108 -0.335 (0) - Pd(NH3)3+2 2.132e-05 9.855e-06 -4.671 -5.006 -0.335 (0) - NH3 1.254e-06 1.254e-06 -5.902 -5.902 0.000 (0) - Pd(NH3)2+2 5.375e-07 2.485e-07 -6.270 -6.605 -0.335 (0) - Ni(NH3)+2 4.524e-07 2.092e-07 -6.344 -6.679 -0.335 (0) - Cd(NH3)+2 3.727e-07 1.723e-07 -6.429 -6.764 -0.335 (0) - Fe(NH3)+2 9.018e-09 4.169e-09 -8.045 -8.380 -0.335 (0) - Mn(NH3)+2 5.018e-09 2.320e-09 -8.299 -8.634 -0.335 (0) - Mg(NH3)+2 1.551e-09 7.170e-10 -8.809 -9.145 -0.335 (0) - Ca(NH3)+2 9.475e-10 4.381e-10 -9.023 -9.358 -0.335 (0) - Pd(NH3)+2 5.396e-10 2.495e-10 -9.268 -9.603 -0.335 (0) - Sr(NH3)+2 3.465e-10 1.602e-10 -9.460 -9.795 -0.335 (0) - Cd(NH3)2+2 1.046e-10 4.838e-11 -9.980 -10.315 -0.335 (0) - Ni(NH3)2+2 8.014e-11 3.705e-11 -10.096 -10.431 -0.335 (0) - Fe(NH3)2+2 7.135e-14 3.299e-14 -13.147 -13.482 -0.335 (0) - Mn(NH3)2+2 1.990e-14 9.201e-15 -13.701 -14.036 -0.335 (0) - Ni(NH3)3+2 1.077e-14 4.979e-15 -13.968 -14.303 -0.335 (0) - Cd(NH3)3+2 1.507e-15 6.966e-16 -14.822 -15.157 -0.335 (0) - Ca(NH3)2+2 2.985e-16 1.380e-16 -15.525 -15.860 -0.335 (0) - Ni(NH3)4+2 4.791e-19 2.215e-19 -18.320 -18.655 -0.335 (0) - Cd(NH3)4+2 4.429e-20 2.048e-20 -19.354 -19.689 -0.335 (0) - Mg(NH3)3+2 9.708e-22 4.488e-22 -21.013 -21.348 -0.335 (0) - Ca(NH3)3+2 5.932e-23 2.743e-23 -22.227 -22.562 -0.335 (0) - Fe(NH3)4+2 3.548e-24 1.641e-24 -23.450 -23.785 -0.335 (0) - Mg(NH3)4+2 2.429e-28 1.123e-28 -27.615 -27.950 -0.335 (0) - Ca(NH3)4+2 5.909e-30 2.732e-30 -29.229 -29.564 -0.335 (0) -N(5) 1.545e-21 - NO3- 1.517e-21 1.252e-21 -20.819 -20.902 -0.083 (0) - Pb(NO3)+ 5.838e-24 4.814e-24 -23.234 -23.317 -0.084 (0) - Am(NO3)+2 4.289e-24 1.984e-24 -23.368 -23.703 -0.335 (0) - CmNO3+2 4.205e-24 1.944e-24 -23.376 -23.711 -0.335 (0) - Eu(NO3)+2 3.372e-24 1.560e-24 -23.472 -23.807 -0.335 (0) - Sr(NO3)+ 2.739e-24 2.259e-24 -23.562 -23.646 -0.084 (0) - Ni(NO3)+ 1.966e-24 1.621e-24 -23.706 -23.790 -0.084 (0) - Cd(NO3)+ 1.817e-24 1.499e-24 -23.741 -23.824 -0.084 (0) - Sm(NO3)+2 1.788e-24 8.270e-25 -23.748 -24.082 -0.335 (0) - Mn(NO3)+ 8.101e-25 6.680e-25 -24.091 -24.175 -0.084 (0) - Ho(NO3)+2 5.079e-25 2.349e-25 -24.294 -24.629 -0.335 (0) - Ba(NO3)+ 3.280e-25 2.705e-25 -24.484 -24.568 -0.084 (0) - AgNO3 1.224e-26 1.224e-26 -25.912 -25.912 0.000 (0) - Pu(NO3)+2 7.536e-29 3.486e-29 -28.123 -28.458 -0.335 (0) - UO2(NO3)+ 2.718e-29 2.243e-29 -28.566 -28.649 -0.084 (0) - Fe(NO3)+2 3.930e-33 1.817e-33 -32.406 -32.741 -0.335 (0) - Th(NO3)+3 3.675e-35 6.478e-36 -34.435 -35.189 -0.754 (0) - HfNO3+3 7.913e-39 1.395e-39 -38.102 -38.855 -0.754 (0) - NpO2(NO3)+ 4.015e-40 3.312e-40 -39.396 -39.480 -0.084 (0) - PuO2NO3+ 0.000e+00 0.000e+00 -40.565 -40.648 -0.084 (0) - Pu(NO3)+3 0.000e+00 0.000e+00 -40.774 -41.528 -0.754 (0) - Np(NO3)+3 0.000e+00 0.000e+00 -43.126 -43.879 -0.754 (0) - Pb(NO3)2 0.000e+00 0.000e+00 -43.800 -43.800 0.000 (0) - Mn(NO3)2 0.000e+00 0.000e+00 -44.738 -44.738 0.000 (0) - Sr(NO3)2 0.000e+00 0.000e+00 -44.838 -44.838 0.000 (0) - Cd(NO3)2 0.000e+00 0.000e+00 -45.017 -45.017 0.000 (0) - Ni(NO3)2 0.000e+00 0.000e+00 -45.793 -45.793 0.000 (0) - ZrNO3+3 0.000e+00 0.000e+00 -49.556 -50.310 -0.754 (0) - U(NO3)+3 0.000e+00 0.000e+00 -53.485 -54.239 -0.754 (0) - Th(NO3)2+2 0.000e+00 0.000e+00 -54.756 -55.091 -0.335 (0) - Hf(NO3)2+2 0.000e+00 0.000e+00 -58.783 -59.118 -0.335 (0) - Zr(NO3)2+2 0.000e+00 0.000e+00 -69.828 -70.163 -0.335 (0) - U(NO3)2+2 0.000e+00 0.000e+00 -73.976 -74.311 -0.335 (0) + NH4+ 3.083e-04 2.534e-04 -3.511 -3.596 -0.085 (0) + Pd(NH3)4+2 1.592e-04 7.271e-05 -3.798 -4.138 -0.340 (0) + Pd(NH3)3+2 1.730e-05 7.902e-06 -4.762 -5.102 -0.340 (0) + NH3 1.458e-06 1.458e-06 -5.836 -5.836 0.000 (0) + Ni(NH3)+2 5.271e-07 2.408e-07 -6.278 -6.618 -0.340 (0) + Cd(NH3)+2 4.376e-07 1.999e-07 -6.359 -6.699 -0.340 (0) + Pd(NH3)2+2 3.750e-07 1.713e-07 -6.426 -6.766 -0.340 (0) + Mn(NH3)+2 5.925e-09 2.707e-09 -8.227 -8.568 -0.340 (0) + Mg(NH3)+2 1.805e-09 8.245e-10 -8.744 -9.084 -0.340 (0) + Fe(NH3)+2 1.681e-09 7.681e-10 -8.774 -9.115 -0.340 (0) + Ca(NH3)+2 1.103e-09 5.040e-10 -8.957 -9.298 -0.340 (0) + Sr(NH3)+2 4.032e-10 1.842e-10 -9.394 -9.735 -0.340 (0) + Pd(NH3)+2 3.237e-10 1.479e-10 -9.490 -9.830 -0.340 (0) + Cd(NH3)2+2 1.429e-10 6.527e-11 -9.845 -10.185 -0.340 (0) + Ni(NH3)2+2 1.086e-10 4.961e-11 -9.964 -10.304 -0.340 (0) + Mn(NH3)2+2 2.733e-14 1.248e-14 -13.563 -13.904 -0.340 (0) + Ni(NH3)3+2 1.697e-14 7.753e-15 -13.770 -14.111 -0.340 (0) + Fe(NH3)2+2 1.547e-14 7.068e-15 -13.810 -14.151 -0.340 (0) + Cd(NH3)3+2 2.392e-15 1.093e-15 -14.621 -14.961 -0.340 (0) + Mg(NH3)2+2 2.091e-15 9.552e-16 -14.680 -15.020 -0.340 (0) + Ca(NH3)2+2 4.041e-16 1.846e-16 -15.393 -15.734 -0.340 (0) + Ni(NH3)4+2 8.782e-19 4.012e-19 -18.056 -18.397 -0.340 (0) + Cd(NH3)4+2 8.179e-20 3.737e-20 -19.087 -19.428 -0.340 (0) + Mg(NH3)3+2 1.528e-21 6.982e-22 -20.816 -21.156 -0.340 (0) + Ca(NH3)3+2 9.341e-23 4.267e-23 -22.030 -22.370 -0.340 (0) + Fe(NH3)4+2 1.041e-24 4.754e-25 -23.983 -24.323 -0.340 (0) + Mg(NH3)4+2 4.447e-28 2.032e-28 -27.352 -27.692 -0.340 (0) + Ca(NH3)4+2 1.082e-29 4.944e-30 -28.966 -29.306 -0.340 (0) +N(5) 2.262e-21 + NO3- 2.226e-21 1.833e-21 -20.652 -20.737 -0.085 (0) + Am(NO3)+2 5.884e-24 2.688e-24 -23.230 -23.571 -0.340 (0) + Cm(NO3)+2 5.856e-24 2.675e-24 -23.232 -23.573 -0.340 (0) + Eu(NO3)+2 5.784e-24 2.644e-24 -23.238 -23.578 -0.340 (0) + Sr(NO3)+ 3.977e-24 3.269e-24 -23.400 -23.486 -0.085 (0) + Sm(NO3)+2 3.003e-24 1.372e-24 -23.523 -23.863 -0.340 (0) + Ni(NO3)+ 2.856e-24 2.349e-24 -23.544 -23.629 -0.085 (0) + Pb(NO3)+ 2.847e-24 2.341e-24 -23.546 -23.631 -0.085 (0) + Cd(NO3)+ 2.661e-24 2.188e-24 -23.575 -23.660 -0.085 (0) + Mn(NO3)+ 1.193e-24 9.809e-25 -23.923 -24.008 -0.085 (0) + Ho(NO3)+2 1.050e-24 4.801e-25 -23.979 -24.319 -0.340 (0) + Ba(NO3)+ 4.766e-25 3.919e-25 -24.322 -24.407 -0.085 (0) + AgNO3 1.781e-26 1.781e-26 -25.749 -25.749 0.000 (0) + Pu(NO3)+2 1.115e-28 5.094e-29 -27.953 -28.293 -0.340 (0) + UO2(NO3)+ 1.803e-29 1.483e-29 -28.744 -28.829 -0.085 (0) + Fe(NO3)+2 8.410e-34 3.842e-34 -33.075 -33.415 -0.340 (0) + Th(NO3)+3 5.460e-35 9.368e-36 -34.263 -35.028 -0.766 (0) + HfNO3+3 1.190e-38 2.041e-39 -37.925 -38.690 -0.766 (0) + NpO2(NO3)+ 5.855e-40 4.815e-40 -39.233 -39.317 -0.085 (0) + PuO2NO3+ 0.000e+00 0.000e+00 -40.399 -40.484 -0.085 (0) + Pu(NO3)+3 0.000e+00 0.000e+00 -40.597 -41.363 -0.766 (0) + Np(NO3)+3 0.000e+00 0.000e+00 -42.951 -43.717 -0.766 (0) + Pb(NO3)2 0.000e+00 0.000e+00 -43.948 -43.948 0.000 (0) + Mn(NO3)2 0.000e+00 0.000e+00 -44.405 -44.405 0.000 (0) + Sr(NO3)2 0.000e+00 0.000e+00 -44.512 -44.512 0.000 (0) + Am(NO3)2+ 0.000e+00 0.000e+00 -44.622 -44.708 -0.085 (0) + Cm(NO3)2+ 0.000e+00 0.000e+00 -44.625 -44.710 -0.085 (0) + Cd(NO3)2 0.000e+00 0.000e+00 -44.687 -44.687 0.000 (0) + Ni(NO3)2 0.000e+00 0.000e+00 -45.466 -45.466 0.000 (0) + ZrNO3+3 0.000e+00 0.000e+00 -49.379 -50.145 -0.766 (0) + U(NO3)+3 0.000e+00 0.000e+00 -53.363 -54.128 -0.766 (0) + Th(NO3)2+2 0.000e+00 0.000e+00 -54.425 -54.765 -0.340 (0) + Hf(NO3)2+2 0.000e+00 0.000e+00 -58.447 -58.787 -0.340 (0) + Zr(NO3)2+2 0.000e+00 0.000e+00 -69.491 -69.832 -0.340 (0) + U(NO3)2+2 0.000e+00 0.000e+00 -73.695 -74.035 -0.340 (0) Na 1.000e-03 - Na+ 9.999e-04 8.246e-04 -3.000 -3.084 -0.084 (0) - NaAl(OH)4 5.733e-08 5.733e-08 -7.242 -7.242 0.000 (0) - NaF 6.120e-09 6.120e-09 -8.213 -8.213 0.000 (0) - Na(HCO3) 5.768e-09 5.768e-09 -8.239 -8.239 0.000 (0) - Na(HPO4)- 2.666e-09 2.199e-09 -8.574 -8.658 -0.084 (0) - NaH2PO4 1.236e-09 1.236e-09 -8.908 -8.908 0.000 (0) - NaB(OH)4 3.424e-10 3.424e-10 -9.465 -9.465 0.000 (0) - NaI 1.287e-10 1.287e-10 -9.891 -9.891 0.000 (0) - Na(CO3)- 1.083e-10 8.934e-11 -9.965 -10.049 -0.084 (0) - NaPO4-2 8.855e-14 4.094e-14 -13.053 -13.388 -0.335 (0) - Na(IO3) 0.000e+00 0.000e+00 -53.871 -53.871 0.000 (0) - Na(S2O3)- 0.000e+00 0.000e+00 -73.192 -73.276 -0.084 (0) + Na+ 9.999e-04 8.221e-04 -3.000 -3.085 -0.085 (0) + NaAl(OH)4 5.825e-08 5.825e-08 -7.235 -7.235 0.000 (0) + Na(HCO3) 1.112e-08 1.112e-08 -7.954 -7.954 0.000 (0) + NaF 5.791e-09 5.791e-09 -8.237 -8.237 0.000 (0) + Na(HPO4)- 5.332e-10 4.384e-10 -9.273 -9.358 -0.085 (0) + NaB(OH)4 4.581e-10 4.581e-10 -9.339 -9.339 0.000 (0) + NaH2PO4 2.465e-10 2.465e-10 -9.608 -9.608 0.000 (0) + Na(CO3)- 2.096e-10 1.723e-10 -9.679 -9.764 -0.085 (0) + NaI 1.286e-10 1.286e-10 -9.891 -9.891 0.000 (0) + NaPO4-2 1.787e-14 8.163e-15 -13.748 -14.088 -0.340 (0) + Na(IO3) 0.000e+00 0.000e+00 -53.872 -53.872 0.000 (0) + Na(S2O3)- 0.000e+00 0.000e+00 -73.207 -73.292 -0.085 (0) Nb 1.000e-03 - Nb(OH)6- 9.677e-04 7.979e-04 -3.014 -3.098 -0.084 (0) - Nb(OH)7-2 2.274e-05 1.051e-05 -4.643 -4.978 -0.335 (0) - Nb(OH)5 9.600e-06 9.600e-06 -5.018 -5.018 0.000 (0) - Nb(OH)4+ 4.230e-11 3.488e-11 -10.374 -10.457 -0.084 (0) - Nb(OH)3+2 5.468e-17 2.528e-17 -16.262 -16.597 -0.335 (0) + Nb(OH)6- 9.675e-04 7.954e-04 -3.014 -3.099 -0.085 (0) + Nb(OH)7-2 2.294e-05 1.048e-05 -4.639 -4.980 -0.340 (0) + Nb(OH)5 9.569e-06 9.569e-06 -5.019 -5.019 0.000 (0) + Nb(OH)4+ 4.229e-11 3.477e-11 -10.374 -10.459 -0.085 (0) + Nb(OH)3+2 5.516e-17 2.520e-17 -16.258 -16.599 -0.340 (0) Ni 1.000e-03 - Ni+2 8.853e-04 4.095e-04 -3.053 -3.388 -0.335 (0) - NiHAsO4 9.257e-05 9.257e-05 -4.034 -4.034 0.000 (0) - Ni(SO4) 1.908e-05 1.908e-05 -4.719 -4.719 0.000 (0) - Ni(OH)+ 1.431e-06 1.180e-06 -5.844 -5.928 -0.084 (0) - NiCl+ 4.530e-07 3.736e-07 -6.344 -6.428 -0.084 (0) - Ni(NH3)+2 4.524e-07 2.092e-07 -6.344 -6.679 -0.335 (0) - NiF+ 2.795e-07 2.305e-07 -6.554 -6.637 -0.084 (0) - Ni(HPO4) 1.653e-07 1.653e-07 -6.782 -6.782 0.000 (0) - Ni(HCO3)+ 1.551e-07 1.279e-07 -6.809 -6.893 -0.084 (0) - Ni(OH)2 4.089e-08 4.089e-08 -7.388 -7.388 0.000 (0) - Ni(SO4)2-2 3.927e-08 1.815e-08 -7.406 -7.741 -0.335 (0) - Ni(CO3) 3.776e-08 3.776e-08 -7.423 -7.423 0.000 (0) - Ni2(OH)+3 2.388e-10 4.209e-11 -9.622 -10.376 -0.754 (0) - Ni(NH3)2+2 8.014e-11 3.705e-11 -10.096 -10.431 -0.335 (0) - Ni(OH)2(HPO4)-2 2.969e-12 1.373e-12 -11.527 -11.862 -0.335 (0) - Ni(OH)3- 2.062e-12 1.704e-12 -11.686 -11.769 -0.083 (0) - Ni4(OH)4+4 1.853e-12 8.467e-14 -11.732 -13.072 -1.340 (0) - Ni(CO3)2-2 4.751e-14 2.197e-14 -13.323 -13.658 -0.335 (0) - Ni(NH3)3+2 1.077e-14 4.979e-15 -13.968 -14.303 -0.335 (0) - Ni(NH3)4+2 4.791e-19 2.215e-19 -18.320 -18.655 -0.335 (0) - Ni(SeO4) 3.385e-19 3.385e-19 -18.470 -18.470 0.000 (0) - Ni(NO3)+ 1.966e-24 1.621e-24 -23.706 -23.790 -0.084 (0) - Ni(NO3)2 0.000e+00 0.000e+00 -45.793 -45.793 0.000 (0) - NiHS+ 0.000e+00 0.000e+00 -62.795 -62.879 -0.084 (0) - Ni(S2O3) 0.000e+00 0.000e+00 -72.130 -72.130 0.000 (0) - Ni(HS)2 0.000e+00 0.000e+00 -122.270 -122.270 0.000 (0) -Np(3) 8.152e-25 - Np+3 3.772e-25 6.652e-26 -24.423 -25.177 -0.754 (0) - Np(OH)+2 2.279e-25 1.054e-25 -24.642 -24.977 -0.335 (0) - Np(SO4)+ 1.216e-25 1.003e-25 -24.915 -24.999 -0.084 (0) - NpPO4 5.740e-26 5.740e-26 -25.241 -25.241 0.000 (0) - Np(CO3)+ 2.195e-26 1.810e-26 -25.659 -25.742 -0.084 (0) - NpHPO4+ 7.810e-27 6.440e-27 -26.107 -26.191 -0.084 (0) - Np(SO4)2- 1.269e-27 1.046e-27 -26.897 -26.980 -0.084 (0) - Np(OH)2+ 8.062e-29 6.644e-29 -28.094 -28.178 -0.084 (0) - Np(PO4)2-3 3.456e-29 6.093e-30 -28.461 -29.215 -0.754 (0) - Np(HPO4)2- 1.144e-29 9.436e-30 -28.941 -29.025 -0.084 (0) - Np(CO3)2- 1.087e-29 8.964e-30 -28.964 -29.047 -0.084 (0) - Np(OH)3 6.640e-32 6.640e-32 -31.178 -31.178 0.000 (0) - Np(CO3)3-3 3.399e-34 5.988e-35 -33.469 -34.223 -0.754 (0) -Np(4) 6.897e-06 - Np(OH)4 6.636e-06 6.636e-06 -5.178 -5.178 0.000 (0) - Np(OH)3+ 2.546e-07 2.100e-07 -6.594 -6.678 -0.084 (0) - Np(CO3)(OH)3- 6.178e-09 5.093e-09 -8.209 -8.293 -0.084 (0) - Np(OH)2+2 6.418e-11 2.968e-11 -10.193 -10.528 -0.335 (0) - Np(OH)4(CO3)-2 2.465e-12 1.139e-12 -11.608 -11.943 -0.335 (0) - Np(OH)2(CO3)2-2 1.436e-12 6.638e-13 -11.843 -12.178 -0.335 (0) - Np(OH)+3 2.669e-17 4.707e-18 -16.574 -17.327 -0.754 (0) - NpF4 2.265e-18 2.265e-18 -17.645 -17.645 0.000 (0) - NpF2+2 6.293e-19 2.911e-19 -18.201 -18.536 -0.335 (0) - NpF3+ 1.653e-19 1.363e-19 -18.782 -18.865 -0.084 (0) - Np(CO3)4-4 1.594e-20 7.281e-22 -19.798 -21.138 -1.340 (0) - NpF+3 1.437e-20 2.532e-21 -19.843 -20.596 -0.754 (0) - Np(SO4)2 6.450e-22 6.450e-22 -21.190 -21.190 0.000 (0) - Np(SO4)+2 4.228e-22 1.956e-22 -21.374 -21.709 -0.335 (0) - Np+4 2.902e-24 1.327e-25 -23.537 -24.877 -1.340 (0) - NpCl+3 1.807e-26 3.186e-27 -25.743 -26.497 -0.754 (0) - NpBr+3 1.286e-26 2.266e-27 -25.891 -26.645 -0.754 (0) - Np(CO3)5-6 3.734e-28 3.605e-31 -27.428 -30.443 -3.015 (0) - NpI+3 1.230e-28 2.169e-29 -27.910 -28.664 -0.754 (0) - Np(NO3)+3 0.000e+00 0.000e+00 -43.126 -43.879 -0.754 (0) -Np(5) 9.931e-04 - NpO2+ 9.913e-04 8.176e-04 -3.004 -3.087 -0.084 (0) - NpO2(SO4)- 5.693e-07 4.686e-07 -6.245 -6.329 -0.084 (0) - NpO2(CO3)- 5.263e-07 4.338e-07 -6.279 -6.363 -0.084 (0) - NpO2HPO4- 3.178e-07 2.621e-07 -6.498 -6.582 -0.084 (0) - NpO2F 2.710e-07 2.710e-07 -6.567 -6.567 0.000 (0) - NpO2Cl 7.290e-08 7.290e-08 -7.137 -7.137 0.000 (0) - NpO2(OH) 4.095e-08 4.095e-08 -7.388 -7.388 0.000 (0) - NpO2(CO3)2-3 5.324e-13 9.377e-14 -12.274 -13.028 -0.754 (0) - NpO2(OH)2- 2.487e-13 2.051e-13 -12.604 -12.688 -0.084 (0) - NpO2(CO3)2OH-4 2.967e-17 1.355e-18 -16.528 -17.868 -1.341 (0) - NpO2(CO3)3-5 6.329e-21 5.092e-23 -20.199 -22.293 -2.094 (0) -Np(6) 3.710e-17 - NpO2(OH)+ 2.023e-17 1.668e-17 -16.694 -16.778 -0.084 (0) - NpO2(OH)2 1.294e-17 1.294e-17 -16.888 -16.888 0.000 (0) - NpO2(CO3) 2.555e-18 2.555e-18 -17.593 -17.593 0.000 (0) - NpO2(CO3)2-2 5.095e-19 2.355e-19 -18.293 -18.628 -0.335 (0) - NpO2+2 4.543e-19 2.102e-19 -18.343 -18.677 -0.335 (0) - NpO2F+ 1.980e-19 1.633e-19 -18.703 -18.787 -0.084 (0) - NpO2(HPO4) 1.198e-19 1.198e-19 -18.921 -18.921 0.000 (0) - NpO2(SO4) 8.334e-20 8.334e-20 -19.079 -19.079 0.000 (0) - NpO2(CO3)(OH)2-2 5.393e-21 2.493e-21 -20.268 -20.603 -0.335 (0) - NpO2F2 3.661e-21 3.661e-21 -20.436 -20.436 0.000 (0) - NpO2(SO4)2-2 9.870e-22 4.562e-22 -21.006 -21.341 -0.335 (0) - NpO2Cl+ 4.855e-22 4.006e-22 -21.314 -21.397 -0.083 (0) - NpO2H2PO4+ 3.106e-22 2.561e-22 -21.508 -21.592 -0.084 (0) - NpO2(HPO4)2-2 1.860e-22 8.598e-23 -21.730 -22.066 -0.335 (0) - NpO2(CO3)3-4 2.125e-23 9.702e-25 -22.673 -24.013 -1.341 (0) - (UO2)2(NpO2)(CO3)6-6 6.649e-28 6.421e-31 -27.177 -30.192 -3.015 (0) - (NpO2)2CO3(OH)3- 4.196e-28 3.460e-28 -27.377 -27.461 -0.084 (0) - (NpO2)2(OH)2+2 5.126e-30 2.369e-30 -29.290 -29.625 -0.335 (0) - (NpO2)3(OH)5+ 8.516e-39 7.019e-39 -38.070 -38.154 -0.084 (0) - NpO2(NO3)+ 4.015e-40 3.312e-40 -39.396 -39.480 -0.084 (0) - (NpO2)3(CO3)6-6 0.000e+00 0.000e+00 -52.588 -55.604 -3.016 (0) -O(0) 3.355e-25 - Mn+3 6.472e-25 1.141e-25 -24.189 -24.943 -0.754 (0) - I3- 1.131e-26 9.327e-27 -25.947 -26.030 -0.084 (0) - IO- 6.263e-28 5.164e-28 -27.203 -27.287 -0.084 (0) - ICl2- 5.721e-31 4.717e-31 -30.243 -30.326 -0.084 (0) - CO 2.318e-33 2.318e-33 -32.635 -32.635 0.000 (0) - O2 0.000e+00 0.000e+00 -41.980 -41.980 0.000 (0) - Am(CO3)5-6 0.000e+00 0.000e+00 -43.391 -46.406 -3.016 (0) - Se2-2 0.000e+00 0.000e+00 -44.528 -44.864 -0.335 (0) - Cl2 0.000e+00 0.000e+00 -45.450 -45.450 0.000 (0) - MnO4-3 0.000e+00 0.000e+00 -47.680 -48.434 -0.754 (0) - HSO5- 0.000e+00 0.000e+00 -48.808 -48.892 -0.084 (0) - Mo+3 0.000e+00 0.000e+00 -48.820 -49.574 -0.754 (0) - MnO4-2 0.000e+00 0.000e+00 -49.499 -49.834 -0.335 (0) - Se3-2 0.000e+00 0.000e+00 -50.970 -51.305 -0.335 (0) - MnO4- 0.000e+00 0.000e+00 -55.130 -55.214 -0.084 (0) - UO2IO3+ 0.000e+00 0.000e+00 -56.611 -56.694 -0.084 (0) - Se4-2 0.000e+00 0.000e+00 -59.012 -59.347 -0.335 (0) - S2O8-2 0.000e+00 0.000e+00 -64.408 -64.743 -0.335 (0) - IO4- 0.000e+00 0.000e+00 -82.184 -82.268 -0.084 (0) - UO2BrO3+ 0.000e+00 0.000e+00 -90.621 -90.705 -0.084 (0) - UO2ClO3+ 0.000e+00 0.000e+00 -90.624 -90.707 -0.084 (0) - S3O6-2 0.000e+00 0.000e+00 -100.749 -101.084 -0.335 (0) - ClO4- 0.000e+00 0.000e+00 -103.131 -103.211 -0.080 (0) - UO2(IO3)2 0.000e+00 0.000e+00 -105.962 -105.962 0.000 (0) - S2-2 0.000e+00 0.000e+00 -118.187 -118.522 -0.335 (0) - S4O6-2 0.000e+00 0.000e+00 -134.070 -134.405 -0.335 (0) - S3-2 0.000e+00 0.000e+00 -164.148 -164.483 -0.335 (0) - S5O6-2 0.000e+00 0.000e+00 -196.791 -197.126 -0.335 (0) - S4-2 0.000e+00 0.000e+00 -211.209 -211.544 -0.335 (0) - S5-2 0.000e+00 0.000e+00 -258.489 -258.824 -0.335 (0) + Ni+2 8.869e-04 4.053e-04 -3.052 -3.392 -0.340 (0) + NiHAsO4 9.165e-05 9.165e-05 -4.038 -4.038 0.000 (0) + Ni(SO4) 1.835e-05 1.835e-05 -4.736 -4.736 0.000 (0) + Ni(OH)+ 1.421e-06 1.168e-06 -5.847 -5.933 -0.085 (0) + Ni(NH3)+2 5.271e-07 2.408e-07 -6.278 -6.618 -0.340 (0) + NiCl+ 4.460e-07 3.668e-07 -6.351 -6.436 -0.085 (0) + Ni(HCO3)+ 2.979e-07 2.450e-07 -6.526 -6.611 -0.085 (0) + NiF+ 2.634e-07 2.166e-07 -6.579 -6.664 -0.085 (0) + Ni(CO3) 7.230e-08 7.230e-08 -7.141 -7.141 0.000 (0) + Ni(OH)2 4.048e-08 4.048e-08 -7.393 -7.393 0.000 (0) + Ni(SO4)2-2 3.717e-08 1.697e-08 -7.430 -7.770 -0.340 (0) + Ni(HPO4) 3.271e-08 3.271e-08 -7.485 -7.485 0.000 (0) + Ni2(OH)+3 2.403e-10 4.124e-11 -9.619 -10.385 -0.766 (0) + Ni(NH3)2+2 1.086e-10 4.961e-11 -9.964 -10.304 -0.340 (0) + Ni(SeO4) 1.923e-12 1.923e-12 -11.716 -11.716 0.000 (0) + Ni4(OH)4+4 1.866e-12 8.128e-14 -11.729 -13.090 -1.361 (0) + Ni(OH)2(HPO4)-2 5.948e-13 2.717e-13 -12.226 -12.566 -0.340 (0) + Ni(CO3)2-2 1.781e-13 8.137e-14 -12.749 -13.090 -0.340 (0) + Ni(NH3)3+2 1.697e-14 7.753e-15 -13.770 -14.111 -0.340 (0) + Ni(NH3)4+2 8.782e-19 4.012e-19 -18.056 -18.397 -0.340 (0) + Ni(NO3)+ 2.856e-24 2.349e-24 -23.544 -23.629 -0.085 (0) + Ni(NO3)2 0.000e+00 0.000e+00 -45.466 -45.466 0.000 (0) + NiHS+ 0.000e+00 0.000e+00 -62.810 -62.895 -0.085 (0) + Ni(S2O3) 0.000e+00 0.000e+00 -72.149 -72.149 0.000 (0) + Ni(HS)2 0.000e+00 0.000e+00 -122.298 -122.298 0.000 (0) +Np(3) 7.502e-25 + Np+3 3.850e-25 6.609e-26 -24.415 -25.180 -0.765 (0) + Np(OH)+2 2.292e-25 1.047e-25 -24.640 -24.980 -0.340 (0) + Np(SO4)+ 8.532e-26 7.017e-26 -25.069 -25.154 -0.085 (0) + Np(CO3)+ 4.231e-26 3.479e-26 -25.374 -25.459 -0.085 (0) + Np(PO4) 6.562e-27 6.562e-27 -26.183 -26.183 0.000 (0) + Np(HPO4)+ 1.236e-27 1.016e-27 -26.908 -26.993 -0.085 (0) + Np(SO4)2- 4.756e-28 3.909e-28 -27.323 -27.408 -0.085 (0) + Np(OH)2+ 8.034e-29 6.601e-29 -28.095 -28.180 -0.085 (0) + Np(CO3)2- 4.055e-29 3.333e-29 -28.392 -28.477 -0.085 (0) + Np(H2PO4)+2 4.143e-30 1.893e-30 -29.383 -29.723 -0.340 (0) + Np(PO4)2-3 4.892e-31 8.393e-32 -30.311 -31.076 -0.766 (0) + Np(HPO4)2- 2.685e-31 2.208e-31 -30.571 -30.656 -0.085 (0) + Np(OH)3 6.596e-32 6.596e-32 -31.181 -31.181 0.000 (0) + Np(CO3)3-3 2.511e-33 4.307e-34 -32.600 -33.366 -0.766 (0) +Np(4) 6.846e-06 + Np(OH)4 6.592e-06 6.592e-06 -5.181 -5.181 0.000 (0) + Np(OH)3+ 2.537e-07 2.086e-07 -6.596 -6.681 -0.085 (0) + Np(OH)2(CO3)2-2 3.037e-10 1.388e-10 -9.518 -9.858 -0.340 (0) + Np(OH)2+2 6.453e-11 2.948e-11 -10.190 -10.530 -0.340 (0) + Np(OH)+3 2.724e-17 4.676e-18 -16.565 -17.330 -0.765 (0) + NpF4 1.825e-18 1.825e-18 -17.739 -17.739 0.000 (0) + NpF2+2 5.699e-19 2.605e-19 -18.244 -18.584 -0.340 (0) + Np(CO3)4-4 2.326e-19 1.013e-20 -18.633 -19.995 -1.361 (0) + NpF3+ 1.408e-19 1.157e-19 -18.852 -18.936 -0.085 (0) + NpF+3 1.391e-20 2.387e-21 -19.857 -20.622 -0.766 (0) + Np(SO4)2 6.055e-22 6.055e-22 -21.218 -21.218 0.000 (0) + Np(SO4)+2 4.132e-22 1.889e-22 -21.384 -21.724 -0.340 (0) + Np+4 3.025e-24 1.319e-25 -23.519 -24.880 -1.361 (0) + NpCl+3 1.829e-26 3.139e-27 -25.738 -26.503 -0.766 (0) + NpBr+3 1.319e-26 2.263e-27 -25.880 -26.645 -0.766 (0) + Np(CO3)5-6 1.119e-26 9.701e-30 -25.951 -29.013 -3.062 (0) + NpI+3 1.259e-28 2.160e-29 -27.900 -28.666 -0.766 (0) + Np(NO3)+3 0.000e+00 0.000e+00 -42.951 -43.717 -0.766 (0) +Np(5) 9.932e-04 + NpO2+ 9.876e-04 8.121e-04 -3.005 -3.090 -0.085 (0) + NpO2(SO4)- 3.986e-06 3.278e-06 -5.399 -5.484 -0.085 (0) + NpO2(CO3)- 1.014e-06 8.335e-07 -5.994 -6.079 -0.085 (0) + NpO2F 4.049e-07 4.049e-07 -6.393 -6.393 0.000 (0) + NpO2Cl 7.181e-08 7.181e-08 -7.144 -7.144 0.000 (0) + NpO2(HPO4)- 6.333e-08 5.206e-08 -7.198 -7.284 -0.085 (0) + NpO2(OH) 4.067e-08 4.067e-08 -7.391 -7.391 0.000 (0) + NpO2(H2PO4) 2.379e-09 2.379e-09 -8.624 -8.624 0.000 (0) + NpO2F2- 3.092e-11 2.542e-11 -10.510 -10.595 -0.085 (0) + NpO2(CO3)2-3 2.033e-12 3.485e-13 -11.692 -12.458 -0.766 (0) + NpO2(OH)2- 2.478e-13 2.037e-13 -12.606 -12.691 -0.085 (0) + Ca(NpO2(OH)2)+ 1.078e-13 8.862e-14 -12.967 -13.052 -0.085 (0) + NpO2(CO3)2OH-4 1.157e-16 5.035e-18 -15.937 -17.298 -1.361 (0) + NpO2(CO3)3-5 4.904e-20 3.661e-22 -19.309 -21.436 -2.127 (0) + Ca3(NpO2(OH)5)+2 2.313e-33 1.056e-33 -32.636 -32.976 -0.340 (0) +Np(6) 5.101e-17 + NpO2(OH)+ 2.015e-17 1.657e-17 -16.696 -16.781 -0.085 (0) + NpO2CO3 1.702e-17 1.702e-17 -16.769 -16.769 0.000 (0) + NpO2(OH)2 1.285e-17 1.285e-17 -16.891 -16.891 0.000 (0) + NpO2+2 4.567e-19 2.087e-19 -18.340 -18.680 -0.340 (0) + NpO2F+ 1.872e-19 1.540e-19 -18.728 -18.813 -0.085 (0) + NpO2(OH)3- 1.600e-19 1.314e-19 -18.796 -18.881 -0.085 (0) + NpO2(SO4) 8.046e-20 8.046e-20 -19.094 -19.094 0.000 (0) + NpO2(CO3)2-2 5.788e-20 2.644e-20 -19.237 -19.578 -0.340 (0) + NpO2(HPO4) 2.379e-20 2.379e-20 -19.624 -19.624 0.000 (0) + NpO2(CO3)(OH)2-2 1.049e-20 4.790e-21 -19.979 -20.320 -0.340 (0) + NpO2F2 3.275e-21 3.275e-21 -20.485 -20.485 0.000 (0) + NpO2(SO4)2-2 9.373e-22 4.281e-22 -21.028 -21.368 -0.340 (0) + NpO2(CO3)3-4 5.432e-22 2.364e-23 -21.265 -22.626 -1.361 (0) + NpO2Cl+ 4.797e-22 3.946e-22 -21.319 -21.404 -0.085 (0) + NpO2H2PO4+ 6.188e-23 5.087e-23 -22.208 -22.294 -0.085 (0) + NpO2(OH)4-2 4.559e-23 2.082e-23 -22.341 -22.682 -0.340 (0) + NpO2(HPO4)2-2 7.476e-24 3.415e-24 -23.126 -23.467 -0.340 (0) + (UO2)2(NpO2)(CO3)6-6 2.989e-26 2.592e-29 -25.524 -28.586 -3.062 (0) + (NpO2)2CO3(OH)3- 9.880e-27 8.122e-27 -26.005 -26.090 -0.085 (0) + (NpO2)2(OH)2+2 5.118e-30 2.337e-30 -29.291 -29.631 -0.340 (0) + (NpO2)3(OH)5+ 8.368e-39 6.877e-39 -38.077 -38.163 -0.085 (0) + NpO2(NO3)+ 5.855e-40 4.815e-40 -39.233 -39.317 -0.085 (0) + (NpO2)3(CO3)6-6 0.000e+00 0.000e+00 -49.241 -52.303 -3.063 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -41.991 -41.991 0.000 (0) P 1.000e-03 - Ho(PO4) 3.796e-04 3.796e-04 -3.421 -3.421 0.000 (0) - Eu(PO4) 1.956e-04 1.956e-04 -3.709 -3.709 0.000 (0) - Sm(PO4) 1.682e-04 1.682e-04 -3.774 -3.774 0.000 (0) - CmPO4 9.270e-05 9.270e-05 -4.033 -4.033 0.000 (0) - AmPO4 7.513e-05 7.513e-05 -4.124 -4.124 0.000 (0) - Eu(HPO4)+ 1.679e-05 1.385e-05 -4.775 -4.859 -0.084 (0) - Ho(HPO4)+ 1.633e-05 1.347e-05 -4.787 -4.871 -0.084 (0) - Sm(HPO4)+ 1.444e-05 1.191e-05 -4.840 -4.924 -0.084 (0) - Cm(HPO4)+ 1.025e-05 8.454e-06 -4.989 -5.073 -0.084 (0) - CdHPO4 1.009e-05 1.009e-05 -4.996 -4.996 0.000 (0) - Am(HPO4)+ 9.541e-06 7.867e-06 -5.020 -5.104 -0.084 (0) - Ho(PO4)2-3 1.734e-06 3.056e-07 -5.761 -6.515 -0.754 (0) - Mn(HPO4) 1.183e-06 1.183e-06 -5.927 -5.927 0.000 (0) - HPO4-2 7.782e-07 3.597e-07 -6.109 -6.444 -0.335 (0) - H2(PO4)- 7.076e-07 5.833e-07 -6.150 -6.234 -0.084 (0) - Eu(PO4)2-3 5.142e-07 9.064e-08 -6.289 -7.043 -0.754 (0) - UO2(PO4)- 4.708e-07 3.882e-07 -6.327 -6.411 -0.084 (0) - Cr(OH)3(H2PO4)- 4.110e-07 3.389e-07 -6.386 -6.470 -0.084 (0) - NpO2HPO4- 3.178e-07 2.621e-07 -6.498 -6.582 -0.084 (0) - Sm(PO4)2-3 3.059e-07 5.392e-08 -6.514 -7.268 -0.754 (0) - Cr(HPO4)+ 2.659e-07 2.193e-07 -6.575 -6.659 -0.084 (0) - Fe(HPO4) 2.386e-07 2.386e-07 -6.622 -6.622 0.000 (0) - CoHPO4 1.863e-07 1.863e-07 -6.730 -6.730 0.000 (0) - Ni(HPO4) 1.653e-07 1.653e-07 -6.782 -6.782 0.000 (0) - PbHPO4 1.517e-07 1.517e-07 -6.819 -6.819 0.000 (0) - Mg(HPO4) 1.328e-07 1.328e-07 -6.877 -6.877 0.000 (0) - Am(H2PO4)+2 9.347e-08 4.323e-08 -7.029 -7.364 -0.335 (0) - UO2(HPO4) 8.894e-08 8.894e-08 -7.051 -7.051 0.000 (0) - Ca(HPO4) 8.693e-08 8.693e-08 -7.061 -7.061 0.000 (0) - Cm(PO4)2-3 8.257e-08 1.455e-08 -7.083 -7.837 -0.754 (0) - Ho(HPO4)2- 7.395e-08 6.098e-08 -7.131 -7.215 -0.084 (0) - Cr(OH)3(HPO4)-2 7.001e-08 3.237e-08 -7.155 -7.490 -0.335 (0) - Fe(H2PO4)+ 5.774e-08 4.761e-08 -7.239 -7.322 -0.084 (0) - Am(PO4)2-3 5.316e-08 9.370e-09 -7.274 -8.028 -0.754 (0) - Sr(HPO4) 5.275e-08 5.275e-08 -7.278 -7.278 0.000 (0) - Eu(HPO4)2- 4.798e-08 3.956e-08 -7.319 -7.403 -0.084 (0) - Sm(HPO4)2- 3.277e-08 2.703e-08 -7.484 -7.568 -0.084 (0) - Eu(H2PO4)+2 2.434e-08 1.126e-08 -7.614 -7.949 -0.335 (0) - Sm(H2PO4)+2 2.348e-08 1.086e-08 -7.629 -7.964 -0.335 (0) - Cm(H2PO4)+2 2.301e-08 1.064e-08 -7.638 -7.973 -0.335 (0) - Cd(H2PO4)+ 1.852e-08 1.527e-08 -7.732 -7.816 -0.084 (0) - Cm(HPO4)2- 1.848e-08 1.524e-08 -7.733 -7.817 -0.084 (0) - Am(HPO4)2- 1.498e-08 1.235e-08 -7.824 -7.908 -0.084 (0) - Ho(H2PO4)+2 1.493e-08 6.907e-09 -7.826 -8.161 -0.335 (0) - Ca(H2PO4)+ 7.997e-09 6.594e-09 -8.097 -8.181 -0.084 (0) - Pb(H2PO4)+ 7.492e-09 6.178e-09 -8.125 -8.209 -0.084 (0) - Mg(H2PO4)+ 4.752e-09 3.919e-09 -8.323 -8.407 -0.084 (0) - Na(HPO4)- 2.666e-09 2.199e-09 -8.574 -8.658 -0.084 (0) - Ca(PO4)- 2.471e-09 2.038e-09 -8.607 -8.691 -0.084 (0) - K(HPO4)- 2.322e-09 1.915e-09 -8.634 -8.718 -0.084 (0) - Sr(H2PO4)+ 2.168e-09 1.788e-09 -8.664 -8.748 -0.084 (0) - KH2PO4 1.325e-09 1.325e-09 -8.878 -8.878 0.000 (0) - NaH2PO4 1.236e-09 1.236e-09 -8.908 -8.908 0.000 (0) - PuPO4 9.134e-10 9.134e-10 -9.039 -9.039 0.000 (0) - Sr(PO4)- 8.831e-10 7.282e-10 -9.054 -9.138 -0.084 (0) - Pu(HPO4)+ 1.394e-10 1.150e-10 -9.856 -9.939 -0.084 (0) - Mg(PO4)- 6.264e-11 5.166e-11 -10.203 -10.287 -0.084 (0) - Fe(HPO4)+ 4.915e-11 4.053e-11 -10.309 -10.392 -0.084 (0) - Cr(OH)3(PO4)-3 4.017e-11 7.081e-12 -10.396 -11.150 -0.754 (0) - Mn(HPO4)2-2 2.061e-11 9.529e-12 -10.686 -11.021 -0.335 (0) - UO2(H2PO4)+ 1.832e-11 1.510e-11 -10.737 -10.821 -0.084 (0) - PO4-3 9.120e-12 1.607e-12 -11.040 -11.794 -0.754 (0) - H3(PO4) 8.052e-12 8.052e-12 -11.094 -11.094 0.000 (0) - Ni(OH)2(HPO4)-2 2.969e-12 1.373e-12 -11.527 -11.862 -0.335 (0) - Cr(OH)3(H2PO4)2-2 2.143e-12 9.909e-13 -11.669 -12.004 -0.335 (0) - PuO2(HPO4)- 9.202e-13 7.588e-13 -12.036 -12.120 -0.084 (0) - Pu(PO4)2-3 4.681e-13 8.252e-14 -12.330 -13.083 -0.754 (0) - Pu(H2PO4)+2 2.604e-13 1.204e-13 -12.584 -12.919 -0.335 (0) - Pu(HPO4)2- 1.863e-13 1.537e-13 -12.730 -12.813 -0.084 (0) - Cr(H2PO4)+2 9.682e-14 4.477e-14 -13.014 -13.349 -0.335 (0) - NaPO4-2 8.855e-14 4.094e-14 -13.053 -13.388 -0.335 (0) - KPO4-2 5.717e-14 2.643e-14 -13.243 -13.578 -0.335 (0) - Fe(H2PO4)+2 5.404e-14 2.499e-14 -13.267 -13.602 -0.335 (0) - Cr(OH)4(HPO4)(H2PO4)-4 2.728e-15 1.247e-16 -14.564 -15.904 -1.340 (0) - UO2(H2PO4)2 4.027e-16 4.027e-16 -15.395 -15.395 0.000 (0) - Th(H2PO4)+3 3.339e-16 5.885e-17 -15.476 -16.230 -0.754 (0) - Th(H2PO4)2+2 5.764e-18 2.665e-18 -17.239 -17.574 -0.335 (0) - UO2(H3PO4)+2 1.426e-18 6.593e-19 -17.846 -18.181 -0.335 (0) - NpO2(HPO4) 1.198e-19 1.198e-19 -18.921 -18.921 0.000 (0) - UO2(H2PO4)(H3PO4)+ 4.998e-22 4.121e-22 -21.301 -21.385 -0.084 (0) - NpO2H2PO4+ 3.106e-22 2.561e-22 -21.508 -21.592 -0.084 (0) - NpO2(HPO4)2-2 1.860e-22 8.598e-23 -21.730 -22.066 -0.335 (0) - HCrPO7-2 1.497e-22 6.921e-23 -21.825 -22.160 -0.335 (0) - Th(H3PO4)+4 3.547e-24 1.621e-25 -23.450 -24.790 -1.340 (0) - Th(H3PO4)(H2PO4)+3 2.509e-25 4.423e-26 -24.601 -25.354 -0.754 (0) - NpPO4 5.740e-26 5.740e-26 -25.241 -25.241 0.000 (0) - NpHPO4+ 7.810e-27 6.440e-27 -26.107 -26.191 -0.084 (0) - H2CrPO7- 3.749e-27 3.092e-27 -26.426 -26.510 -0.084 (0) - SnPO4- 5.221e-28 4.305e-28 -27.282 -27.366 -0.084 (0) - Np(PO4)2-3 3.456e-29 6.093e-30 -28.461 -29.215 -0.754 (0) - Np(HPO4)2- 1.144e-29 9.436e-30 -28.941 -29.025 -0.084 (0) - PuH3PO4+4 1.177e-30 5.378e-32 -29.929 -31.269 -1.340 (0) - SnHPO4 3.048e-31 3.048e-31 -30.516 -30.516 0.000 (0) -Pa(4) 1.042e-20 - Pa(OH)3+ 1.042e-20 8.589e-21 -19.982 -20.066 -0.084 (0) - Pa(OH)2+2 5.614e-26 2.596e-26 -25.251 -25.586 -0.335 (0) - Pa(OH)+3 1.067e-31 1.882e-32 -30.972 -31.725 -0.754 (0) - Pa+4 5.951e-39 2.721e-40 -38.225 -39.565 -1.340 (0) + Fe(PO4) 7.558e-04 7.558e-04 -3.122 -3.122 0.000 (0) + Ho(PO4) 1.060e-04 1.060e-04 -3.975 -3.975 0.000 (0) + Eu(PO4) 4.529e-05 4.529e-05 -4.344 -4.344 0.000 (0) + Sm(PO4) 3.813e-05 3.813e-05 -4.419 -4.419 0.000 (0) + Cm(PO4) 2.001e-05 2.001e-05 -4.699 -4.699 0.000 (0) + Am(PO4) 1.561e-05 1.561e-05 -4.807 -4.807 0.000 (0) + Ho(HPO4)+ 4.573e-06 3.760e-06 -5.340 -5.425 -0.085 (0) + Eu(HPO4)+ 3.900e-06 3.206e-06 -5.409 -5.494 -0.085 (0) + Sm(HPO4)+ 3.283e-06 2.699e-06 -5.484 -5.569 -0.085 (0) + Cm(HPO4)+ 2.220e-06 1.825e-06 -5.654 -5.739 -0.085 (0) + CdHPO4 2.013e-06 2.013e-06 -5.696 -5.696 0.000 (0) + Am(HPO4)+ 1.988e-06 1.634e-06 -5.702 -5.787 -0.085 (0) + Mn(HPO4) 2.374e-07 2.374e-07 -6.625 -6.625 0.000 (0) + HPO4-2 1.575e-07 7.193e-08 -6.803 -7.143 -0.340 (0) + H2(PO4)- 1.419e-07 1.167e-07 -6.848 -6.933 -0.085 (0) + Ho(PO4)2-3 9.944e-08 1.706e-08 -7.002 -7.768 -0.766 (0) + Cr(OH)3(H2PO4)- 8.246e-08 6.779e-08 -7.084 -7.169 -0.085 (0) + NpO2(HPO4)- 6.333e-08 5.206e-08 -7.198 -7.284 -0.085 (0) + Cr(HPO4)+ 5.334e-08 4.386e-08 -7.273 -7.358 -0.085 (0) + CoHPO4 3.683e-08 3.683e-08 -7.434 -7.434 0.000 (0) + Ni(HPO4) 3.271e-08 3.271e-08 -7.485 -7.485 0.000 (0) + Mg(HPO4) 2.625e-08 2.625e-08 -7.581 -7.581 0.000 (0) + Eu(PO4)2-3 2.446e-08 4.197e-09 -7.612 -8.377 -0.766 (0) + Ca(HPO4) 1.719e-08 1.719e-08 -7.765 -7.765 0.000 (0) + UO2(HPO4) 1.566e-08 1.566e-08 -7.805 -7.805 0.000 (0) + Sm(PO4)2-3 1.425e-08 2.444e-09 -7.846 -8.612 -0.766 (0) + Cr(OH)3(HPO4)-2 1.417e-08 6.474e-09 -7.849 -8.189 -0.340 (0) + Sr(HPO4) 1.043e-08 1.043e-08 -7.982 -7.982 0.000 (0) + PbHPO4 1.007e-08 1.007e-08 -7.997 -7.997 0.000 (0) + Fe(HPO4) 7.558e-09 7.558e-09 -8.122 -8.122 0.000 (0) + Eu(H2PO4)+2 5.703e-09 2.606e-09 -8.244 -8.584 -0.340 (0) + Am(H2PO4)+2 5.667e-09 2.590e-09 -8.247 -8.587 -0.340 (0) + Cm(H2PO4)+2 5.640e-09 2.577e-09 -8.249 -8.589 -0.340 (0) + Sm(H2PO4)+2 5.387e-09 2.462e-09 -8.269 -8.609 -0.340 (0) + Ho(H2PO4)+2 4.219e-09 1.928e-09 -8.375 -8.715 -0.340 (0) + Ho(HPO4)2- 4.141e-09 3.404e-09 -8.383 -8.468 -0.085 (0) + Cm(PO4)2-3 3.834e-09 6.578e-10 -8.416 -9.182 -0.766 (0) + Cd(H2PO4)+ 3.706e-09 3.046e-09 -8.431 -8.516 -0.085 (0) + NpO2(H2PO4) 2.379e-09 2.379e-09 -8.624 -8.624 0.000 (0) + Am(PO4)2-3 2.375e-09 4.075e-10 -8.624 -9.390 -0.766 (0) + Eu(HPO4)2- 2.228e-09 1.832e-09 -8.652 -8.737 -0.085 (0) + Fe(H2PO4)+ 1.877e-09 1.543e-09 -8.727 -8.812 -0.085 (0) + Ca(H2PO4)+ 1.587e-09 1.304e-09 -8.800 -8.885 -0.085 (0) + Sm(HPO4)2- 1.490e-09 1.225e-09 -8.827 -8.912 -0.085 (0) + Mg(H2PO4)+ 9.424e-10 7.748e-10 -9.026 -9.111 -0.085 (0) + Cm(HPO4)2- 8.187e-10 6.731e-10 -9.087 -9.172 -0.085 (0) + Am(HPO4)2- 6.386e-10 5.250e-10 -9.195 -9.280 -0.085 (0) + Na(HPO4)- 5.332e-10 4.384e-10 -9.273 -9.358 -0.085 (0) + UO2(PO4)- 5.011e-10 4.120e-10 -9.300 -9.385 -0.085 (0) + Pb(H2PO4)+ 4.992e-10 4.104e-10 -9.302 -9.387 -0.085 (0) + Ca(PO4)- 4.903e-10 4.031e-10 -9.310 -9.395 -0.085 (0) + K(HPO4)- 4.644e-10 3.818e-10 -9.333 -9.418 -0.085 (0) + Sr(H2PO4)+ 4.299e-10 3.534e-10 -9.367 -9.452 -0.085 (0) + HgPO4- 2.689e-10 2.211e-10 -9.570 -9.655 -0.085 (0) + NaH2PO4 2.465e-10 2.465e-10 -9.608 -9.608 0.000 (0) + Pu(PO4) 1.866e-10 1.866e-10 -9.729 -9.729 0.000 (0) + Sr(PO4)- 1.751e-10 1.440e-10 -9.757 -9.842 -0.085 (0) + Pu(HPO4)+ 2.857e-11 2.349e-11 -10.544 -10.629 -0.085 (0) + Mg(PO4)- 1.242e-11 1.021e-11 -10.906 -10.991 -0.085 (0) + Cr(OH)3(PO4)-3 8.255e-12 1.416e-12 -11.083 -11.849 -0.766 (0) + HgHPO4 6.832e-12 6.832e-12 -11.165 -11.165 0.000 (0) + UO2(H2PO4)+ 3.235e-12 2.660e-12 -11.490 -11.575 -0.085 (0) + PO4-3 1.874e-12 3.213e-13 -11.727 -12.493 -0.766 (0) + H3(PO4) 1.610e-12 1.610e-12 -11.793 -11.793 0.000 (0) + Mn(HPO4)2-2 8.367e-13 3.823e-13 -12.077 -12.418 -0.340 (0) + Ni(OH)2(HPO4)-2 5.948e-13 2.717e-13 -12.226 -12.566 -0.340 (0) + PuO2(HPO4)- 1.842e-13 1.515e-13 -12.735 -12.820 -0.085 (0) + Cr(OH)3(H2PO4)2-2 8.676e-14 3.963e-14 -13.062 -13.402 -0.340 (0) + Pu(H2PO4)+2 5.261e-14 2.404e-14 -13.279 -13.619 -0.340 (0) + Pu(PO4)2-3 2.010e-14 3.449e-15 -13.697 -14.462 -0.766 (0) + Cr(H2PO4)+2 1.960e-14 8.954e-15 -13.708 -14.048 -0.340 (0) + NaPO4-2 1.787e-14 8.163e-15 -13.748 -14.088 -0.340 (0) + KPO4-2 1.154e-14 5.270e-15 -13.938 -14.278 -0.340 (0) + Pu(HPO4)2- 7.635e-15 6.277e-15 -14.117 -14.202 -0.085 (0) + Fe(H2PO4)+2 1.617e-15 7.386e-16 -14.791 -15.132 -0.340 (0) + Cr(OH)4(HPO4)(H2PO4)-4 1.145e-16 4.986e-18 -15.941 -17.302 -1.361 (0) + Th(H2PO4)+3 6.777e-17 1.163e-17 -16.169 -16.935 -0.766 (0) + UO2(H2PO4)2 1.418e-17 1.418e-17 -16.848 -16.848 0.000 (0) + UO2(H3PO4)+2 2.542e-19 1.161e-19 -18.595 -18.935 -0.340 (0) + Th(H2PO4)2+2 2.305e-19 1.053e-19 -18.637 -18.978 -0.340 (0) + NpO2(HPO4) 2.379e-20 2.379e-20 -19.624 -19.624 0.000 (0) + NpO2H2PO4+ 6.188e-23 5.087e-23 -22.208 -22.294 -0.085 (0) + HCrPO7-2 3.030e-23 1.384e-23 -22.519 -22.859 -0.340 (0) + UO2(H2PO4)(H3PO4)+ 1.765e-23 1.451e-23 -22.753 -22.838 -0.085 (0) + NpO2(HPO4)2-2 7.476e-24 3.415e-24 -23.126 -23.467 -0.340 (0) + Th(H3PO4)+4 7.352e-25 3.203e-26 -24.134 -25.495 -1.361 (0) + Th(H3PO4)(H2PO4)+3 1.018e-26 1.747e-27 -25.992 -26.758 -0.766 (0) + Np(PO4) 6.562e-27 6.562e-27 -26.183 -26.183 0.000 (0) + Np(HPO4)+ 1.236e-27 1.016e-27 -26.908 -26.993 -0.085 (0) + H2CrPO7- 7.520e-28 6.183e-28 -27.124 -27.209 -0.085 (0) + SnPO4- 1.047e-28 8.608e-29 -27.980 -28.065 -0.085 (0) + Np(H2PO4)+2 4.143e-30 1.893e-30 -29.383 -29.723 -0.340 (0) + Np(PO4)2-3 4.892e-31 8.393e-32 -30.311 -31.076 -0.766 (0) + Np(HPO4)2- 2.685e-31 2.208e-31 -30.571 -30.656 -0.085 (0) + PuH3PO4+4 2.465e-31 1.074e-32 -30.608 -31.969 -1.361 (0) + SnHPO4 6.094e-32 6.094e-32 -31.215 -31.215 0.000 (0) +Pa(4) 1.043e-20 + Pa(OH)3+ 1.043e-20 8.576e-21 -19.982 -20.067 -0.085 (0) + Pa(OH)2+2 5.672e-26 2.591e-26 -25.246 -25.586 -0.340 (0) + Pa(OH)+3 1.095e-31 1.879e-32 -30.961 -31.726 -0.766 (0) + Pa+4 6.234e-39 2.717e-40 -38.205 -39.566 -1.361 (0) Pa(5) 1.000e-03 - PaO2+ 5.470e-04 4.511e-04 -3.262 -3.346 -0.084 (0) - PaO2(OH) 4.508e-04 4.508e-04 -3.346 -3.346 0.000 (0) - PaO2(OH)2- 2.175e-06 1.793e-06 -5.663 -5.746 -0.084 (0) - PaO(OH)+2 1.734e-09 8.022e-10 -8.761 -9.096 -0.335 (0) - PaO(SO4)+ 1.537e-16 1.267e-16 -15.813 -15.897 -0.084 (0) - PaO(SO4)2- 4.120e-17 3.397e-17 -16.385 -16.469 -0.084 (0) - PaO(SO4)3-3 1.560e-18 2.751e-19 -17.807 -18.561 -0.754 (0) + PaO2+ 5.478e-04 4.503e-04 -3.261 -3.346 -0.085 (0) + PaO2(OH) 4.500e-04 4.500e-04 -3.347 -3.347 0.000 (0) + PaO2(OH)2- 2.178e-06 1.791e-06 -5.662 -5.747 -0.085 (0) + PaO(OH)+2 1.752e-09 8.008e-10 -8.756 -9.096 -0.340 (0) + PaO(SO4)+ 1.496e-16 1.230e-16 -15.825 -15.910 -0.085 (0) + PaO(SO4)2- 3.898e-17 3.204e-17 -16.409 -16.494 -0.085 (0) + PaO(SO4)3-3 1.470e-18 2.522e-19 -17.833 -18.598 -0.766 (0) Pb 1.000e-03 - Pb+2 7.242e-04 3.349e-04 -3.140 -3.475 -0.335 (0) - Pb(OH)+ 1.254e-04 1.034e-04 -3.902 -3.985 -0.084 (0) - Pb(SO4) 4.605e-05 4.605e-05 -4.337 -4.337 0.000 (0) - Pb(B(OH)4)+ 3.365e-05 2.775e-05 -4.473 -4.557 -0.084 (0) - Pb(CO3) 1.949e-05 1.949e-05 -4.710 -4.710 0.000 (0) - PbBr+ 9.794e-06 8.076e-06 -5.009 -5.093 -0.084 (0) - PbCl+ 8.489e-06 7.000e-06 -5.071 -5.155 -0.084 (0) - Pb4(OH)4+4 6.437e-06 2.941e-07 -5.191 -6.531 -1.340 (0) - PbF+ 1.581e-06 1.304e-06 -5.801 -5.885 -0.084 (0) - Pb6(OH)8+4 6.420e-07 2.934e-08 -6.192 -7.533 -1.340 (0) - Pb2(OH)+3 4.201e-07 7.406e-08 -6.377 -7.130 -0.754 (0) - Pb(OH)2 3.753e-07 3.753e-07 -6.426 -6.426 0.000 (0) - PbI+ 2.004e-07 1.652e-07 -6.698 -6.782 -0.084 (0) - PbHPO4 1.517e-07 1.517e-07 -6.819 -6.819 0.000 (0) - Pb(SO4)2-2 9.269e-08 4.281e-08 -7.033 -7.368 -0.336 (0) - PbCl2 1.929e-08 1.929e-08 -7.715 -7.715 0.000 (0) - Pb(H2PO4)+ 7.492e-09 6.178e-09 -8.125 -8.209 -0.084 (0) - PbBr2 6.159e-09 6.159e-09 -8.211 -8.211 0.000 (0) - Pb(SeO3) 3.487e-10 3.487e-10 -9.457 -9.457 0.000 (0) - Pb(CO3)2-2 3.308e-10 1.529e-10 -9.480 -9.816 -0.335 (0) - Pb(OH)3- 2.557e-10 2.109e-10 -9.592 -9.676 -0.084 (0) - PbF2 1.499e-10 1.499e-10 -9.824 -9.824 0.000 (0) - PbBr3- 3.594e-11 2.963e-11 -10.444 -10.528 -0.084 (0) - PbI2 1.263e-11 1.263e-11 -10.899 -10.899 0.000 (0) - Pb(B(OH)4)3- 8.780e-12 7.240e-12 -11.056 -11.140 -0.084 (0) - PbCl3- 8.695e-12 7.170e-12 -11.061 -11.144 -0.084 (0) - Pb(OH)4-2 9.093e-15 4.204e-15 -14.041 -14.376 -0.335 (0) - PbCl4-2 6.036e-15 2.791e-15 -14.219 -14.554 -0.335 (0) - PbI3- 3.617e-16 2.983e-16 -15.442 -15.525 -0.084 (0) - PbI4-2 2.903e-21 1.342e-21 -20.537 -20.872 -0.335 (0) - Pb(NO3)+ 5.838e-24 4.814e-24 -23.234 -23.317 -0.084 (0) - Pb(NO3)2 0.000e+00 0.000e+00 -43.800 -43.800 0.000 (0) - Pb(HS)2 0.000e+00 0.000e+00 -118.447 -118.447 0.000 (0) - Pb(HS)3- 0.000e+00 0.000e+00 -182.104 -182.188 -0.084 (0) + Pb(SeO3) 6.650e-04 6.650e-04 -3.177 -3.177 0.000 (0) + Pb+2 2.435e-04 1.113e-04 -3.614 -3.954 -0.340 (0) + Pb(OH)+ 4.179e-05 3.436e-05 -4.379 -4.464 -0.085 (0) + Pb(B(OH)4)+ 1.505e-05 1.237e-05 -4.823 -4.908 -0.085 (0) + Pb(SO4) 1.487e-05 1.487e-05 -4.828 -4.828 0.000 (0) + Pb(CO3) 1.252e-05 1.252e-05 -4.902 -4.902 0.000 (0) + PbBr+ 3.280e-06 2.697e-06 -5.484 -5.569 -0.085 (0) + PbCl+ 2.805e-06 2.306e-06 -5.552 -5.637 -0.085 (0) + PbF+ 5.001e-07 4.113e-07 -6.301 -6.386 -0.085 (0) + Pb(OH)2 1.247e-07 1.247e-07 -6.904 -6.904 0.000 (0) + Pb4(OH)4+4 8.224e-08 3.582e-09 -7.085 -8.446 -1.361 (0) + PbI+ 6.694e-08 5.504e-08 -7.174 -7.259 -0.085 (0) + Pb2(OH)+3 4.763e-08 8.173e-09 -7.322 -8.088 -0.766 (0) + Pb(SO4)2-2 2.945e-08 1.344e-08 -7.531 -7.872 -0.341 (0) + PbHPO4 1.007e-08 1.007e-08 -7.997 -7.997 0.000 (0) + PbCl2 6.303e-09 6.303e-09 -8.200 -8.200 0.000 (0) + PbBr2 2.067e-09 2.067e-09 -8.685 -8.685 0.000 (0) + Pb6(OH)8+4 9.050e-10 3.942e-11 -9.043 -10.404 -1.361 (0) + Pb(H2PO4)+ 4.992e-10 4.104e-10 -9.302 -9.387 -0.085 (0) + Pb(CO3)2-2 4.161e-10 1.901e-10 -9.381 -9.721 -0.340 (0) + Pb(OH)3- 8.522e-11 7.006e-11 -10.069 -10.155 -0.085 (0) + PbF2 4.486e-11 4.486e-11 -10.348 -10.348 0.000 (0) + PbBr3- 1.216e-11 9.996e-12 -10.915 -11.000 -0.085 (0) + Pb(B(OH)4)3- 7.071e-12 5.813e-12 -11.151 -11.236 -0.085 (0) + PbI2 4.217e-12 4.217e-12 -11.375 -11.375 0.000 (0) + PbCl3- 2.826e-12 2.323e-12 -11.549 -11.634 -0.085 (0) + Pb(OH)4-2 3.058e-15 1.397e-15 -14.515 -14.855 -0.340 (0) + PbCl4-2 1.963e-15 8.969e-16 -14.707 -15.047 -0.340 (0) + PbI3- 1.214e-16 9.984e-17 -15.916 -16.001 -0.085 (0) + PbI4-2 9.860e-22 4.504e-22 -21.006 -21.346 -0.340 (0) + Pb(NO3)+ 2.847e-24 2.341e-24 -23.546 -23.631 -0.085 (0) + Pb(NO3)2 0.000e+00 0.000e+00 -43.948 -43.948 0.000 (0) + Pb(HS)2 0.000e+00 0.000e+00 -118.950 -118.950 0.000 (0) + Pb(HS)3- 0.000e+00 0.000e+00 -182.617 -182.702 -0.085 (0) Pd 1.000e-03 - Pd(OH)2 8.095e-04 8.095e-04 -3.092 -3.092 0.000 (0) - Pd(NH3)4+2 1.687e-04 7.798e-05 -3.773 -4.108 -0.335 (0) - Pd(NH3)3+2 2.132e-05 9.855e-06 -4.671 -5.006 -0.335 (0) - Pd(NH3)2+2 5.375e-07 2.485e-07 -6.270 -6.605 -0.335 (0) - Pd(OH)+ 8.361e-09 6.894e-09 -8.078 -8.162 -0.084 (0) - PdI+ 7.866e-09 6.486e-09 -8.104 -8.188 -0.084 (0) - Pd(OH)3- 7.107e-09 5.860e-09 -8.148 -8.232 -0.084 (0) - Pd(NH3)+2 5.396e-10 2.495e-10 -9.268 -9.603 -0.335 (0) - PdI2 4.219e-10 4.219e-10 -9.375 -9.375 0.000 (0) - PdBr3- 3.796e-10 3.131e-10 -9.421 -9.504 -0.084 (0) - PdI4-2 3.363e-10 1.555e-10 -9.473 -9.808 -0.335 (0) - PdBr2 1.328e-10 1.328e-10 -9.877 -9.877 0.000 (0) - PdI3- 3.328e-11 2.744e-11 -10.478 -10.562 -0.084 (0) - PdBr+ 1.717e-11 1.416e-11 -10.765 -10.849 -0.084 (0) - PdBr4-2 7.461e-12 3.450e-12 -11.127 -11.462 -0.335 (0) - PdCl+ 5.789e-12 4.775e-12 -11.237 -11.321 -0.084 (0) - PdCl2 5.743e-12 5.743e-12 -11.241 -11.241 0.000 (0) - PdCl3- 2.104e-12 1.735e-12 -11.677 -11.761 -0.084 (0) - Pd+2 1.081e-13 4.998e-14 -12.966 -13.301 -0.335 (0) - PdCl3(OH)-2 9.641e-14 4.457e-14 -13.016 -13.351 -0.335 (0) - PdCl4-2 1.797e-14 8.310e-15 -13.745 -14.080 -0.335 (0) - Pd(SO4) 8.454e-15 8.454e-15 -14.073 -14.073 0.000 (0) - Pd(OH)4-2 4.706e-15 2.176e-15 -14.327 -14.662 -0.335 (0) - Pd(CO3) 1.966e-15 1.966e-15 -14.706 -14.706 0.000 (0) - Pd(SO4)2-2 6.926e-17 3.201e-17 -16.160 -16.495 -0.335 (0) - Pd(CO3)2-2 1.240e-17 5.732e-18 -16.907 -17.242 -0.335 (0) -Pu(3) 1.511e-08 - Pu+3 7.384e-09 1.302e-09 -8.132 -8.885 -0.754 (0) - Pu(OH)+2 3.544e-09 1.638e-09 -8.450 -8.786 -0.335 (0) - Pu(SO4)+ 2.671e-09 2.203e-09 -8.573 -8.657 -0.084 (0) - PuPO4 9.134e-10 9.134e-10 -9.039 -9.039 0.000 (0) - Pu(CO3)+ 4.010e-10 3.307e-10 -9.397 -9.481 -0.084 (0) - Pu(HPO4)+ 1.394e-10 1.150e-10 -9.856 -9.939 -0.084 (0) - Pu(SO4)2- 3.429e-11 2.827e-11 -10.465 -10.549 -0.084 (0) - Pu(OH)2+ 1.987e-11 1.637e-11 -10.702 -10.786 -0.084 (0) - Pu(PO4)2-3 4.681e-13 8.252e-14 -12.330 -13.083 -0.754 (0) - Pu(H2PO4)+2 2.604e-13 1.204e-13 -12.584 -12.919 -0.335 (0) - Pu(HPO4)2- 1.863e-13 1.537e-13 -12.730 -12.813 -0.084 (0) - Pu(CO3)2- 1.854e-13 1.529e-13 -12.732 -12.816 -0.084 (0) - PuI+2 1.831e-13 8.471e-14 -12.737 -13.072 -0.335 (0) - Pu(OH)3 6.515e-14 6.515e-14 -13.186 -13.186 0.000 (0) - Pu(CO3)3-3 3.657e-17 6.443e-18 -16.437 -17.191 -0.754 (0) - Pu(NO3)+2 7.536e-29 3.486e-29 -28.123 -28.458 -0.335 (0) + Pd(OH)2 8.231e-04 8.231e-04 -3.085 -3.085 0.000 (0) + Pd(NH3)4+2 1.592e-04 7.271e-05 -3.798 -4.138 -0.340 (0) + Pd(NH3)3+2 1.730e-05 7.902e-06 -4.762 -5.102 -0.340 (0) + Pd(NH3)2+2 3.750e-07 1.713e-07 -6.426 -6.766 -0.340 (0) + Pd(OH)3- 1.024e-08 8.418e-09 -7.990 -8.075 -0.085 (0) + Pd(OH)+ 4.274e-09 3.514e-09 -8.369 -8.454 -0.085 (0) + PdI+ 4.031e-09 3.314e-09 -8.395 -8.480 -0.085 (0) + Pd(NH3)+2 3.237e-10 1.479e-10 -9.490 -9.830 -0.340 (0) + PdI2 2.161e-10 2.161e-10 -9.665 -9.665 0.000 (0) + PdBr3- 1.971e-10 1.620e-10 -9.705 -9.790 -0.085 (0) + PdI4-2 1.752e-10 8.005e-11 -9.756 -10.097 -0.340 (0) + PdBr2 6.840e-11 6.840e-11 -10.165 -10.165 0.000 (0) + PdI3- 1.714e-11 1.409e-11 -10.766 -10.851 -0.085 (0) + PdBr+ 8.819e-12 7.253e-12 -11.055 -11.139 -0.085 (0) + PdBr4-2 3.928e-12 1.795e-12 -11.406 -11.746 -0.340 (0) + PdCl2 3.795e-12 3.795e-12 -11.421 -11.421 0.000 (0) + PdCl+ 2.331e-12 1.917e-12 -11.632 -11.717 -0.085 (0) + PdCl3- 1.124e-12 9.244e-13 -11.949 -12.034 -0.085 (0) + PdCl4-2 2.008e-13 9.172e-14 -12.697 -13.038 -0.340 (0) + PdCl3(OH)-2 6.249e-14 2.855e-14 -13.204 -13.544 -0.340 (0) + Pd+2 5.573e-14 2.547e-14 -13.254 -13.594 -0.340 (0) + Pd(SO4) 4.188e-15 4.188e-15 -14.378 -14.378 0.000 (0) + Pd(CO3) 1.938e-15 1.938e-15 -14.713 -14.713 0.000 (0) + Pd(SO4)2-2 3.375e-17 1.542e-17 -16.472 -16.812 -0.340 (0) + Pd(CO3)2-2 2.393e-17 1.093e-17 -16.621 -16.961 -0.340 (0) +Pu(3) 3.012e-08 + Pu(OH)+2 1.879e-08 8.584e-09 -7.726 -8.066 -0.340 (0) + Pu+3 7.573e-09 1.300e-09 -8.121 -8.886 -0.765 (0) + Pu(SO4)+ 2.599e-09 2.138e-09 -8.585 -8.670 -0.085 (0) + Pu(CO3)+ 7.767e-10 6.387e-10 -9.110 -9.195 -0.085 (0) + Pu(PO4) 1.866e-10 1.866e-10 -9.729 -9.729 0.000 (0) + Pu(OH)2+ 1.255e-10 1.031e-10 -9.901 -9.987 -0.085 (0) + Pu(SO4)2- 3.244e-11 2.666e-11 -10.489 -10.574 -0.085 (0) + Pu(HPO4)+ 2.857e-11 2.349e-11 -10.544 -10.629 -0.085 (0) + Pu(CO3)2- 6.948e-13 5.710e-13 -12.158 -12.243 -0.085 (0) + PuI+2 1.855e-13 8.478e-14 -12.732 -13.072 -0.340 (0) + Pu(H2PO4)+2 5.261e-14 2.404e-14 -13.279 -13.619 -0.340 (0) + Pu(PO4)2-3 2.010e-14 3.449e-15 -13.697 -14.462 -0.766 (0) + Pu(OH)3 8.187e-15 8.187e-15 -14.087 -14.087 0.000 (0) + Pu(HPO4)2- 7.635e-15 6.277e-15 -14.117 -14.202 -0.085 (0) + Pu(CO3)3-3 1.713e-17 2.938e-18 -16.766 -17.532 -0.766 (0) + Pu(NO3)+2 1.115e-28 5.094e-29 -27.953 -28.293 -0.340 (0) Pu(4) 1.000e-03 - Pu(OH)4 8.387e-04 8.387e-04 -3.076 -3.076 0.000 (0) - Pu(OH)3+ 1.613e-04 1.330e-04 -3.792 -3.876 -0.084 (0) - Pu(OH)2+2 2.286e-08 1.057e-08 -7.641 -7.976 -0.335 (0) - Pu(CO3)2(OH)2-2 1.119e-08 5.173e-09 -7.951 -8.286 -0.335 (0) - Pu(OH)+3 5.999e-15 1.058e-15 -14.222 -14.976 -0.754 (0) - PuF2+2 1.260e-16 5.830e-17 -15.899 -16.234 -0.335 (0) - PuF3+ 3.801e-17 3.135e-17 -16.420 -16.504 -0.084 (0) - Pu(CO3)4-4 6.669e-18 3.047e-19 -17.176 -18.516 -1.340 (0) - PuF+3 2.182e-18 3.847e-19 -17.661 -18.415 -0.754 (0) - Pu(SO4)2 1.590e-19 1.590e-19 -18.799 -18.799 0.000 (0) - Pu(SO4)+2 9.286e-20 4.295e-20 -19.032 -19.367 -0.335 (0) - Pu+4 5.814e-22 2.659e-23 -21.236 -22.575 -1.340 (0) - PuCl+3 7.221e-24 1.273e-24 -23.141 -23.895 -0.754 (0) - PuBr+3 2.889e-24 5.093e-25 -23.539 -24.293 -0.754 (0) - Pu(CO3)5-6 8.201e-26 7.918e-29 -25.086 -28.101 -3.015 (0) - PuI+3 3.248e-26 5.727e-27 -25.488 -26.242 -0.754 (0) - PuH3PO4+4 1.177e-30 5.378e-32 -29.929 -31.269 -1.340 (0) - Pu(NO3)+3 0.000e+00 0.000e+00 -40.774 -41.528 -0.754 (0) -Pu(5) 1.144e-08 - PuO2+ 1.142e-08 9.424e-09 -7.942 -8.026 -0.084 (0) - PuO2CO3- 8.769e-12 7.228e-12 -11.057 -11.141 -0.084 (0) - PuO2(SO4)- 6.561e-12 5.401e-12 -11.183 -11.267 -0.084 (0) - PuO2F 3.124e-12 3.124e-12 -11.505 -11.505 0.000 (0) - PuO2(HPO4)- 9.202e-13 7.588e-13 -12.036 -12.120 -0.084 (0) - PuO2OH 4.720e-13 4.720e-13 -12.326 -12.326 0.000 (0) - PuO2(CO3)3-5 2.472e-26 1.989e-28 -25.607 -27.701 -2.094 (0) -Pu(6) 9.522e-19 - PuO2(OH)+ 5.467e-19 4.508e-19 -18.262 -18.346 -0.084 (0) - PuO2(CO3) 2.624e-19 2.624e-19 -18.581 -18.581 0.000 (0) - PuO2(OH)2 8.988e-20 8.988e-20 -19.046 -19.046 0.000 (0) - PuO2+2 3.084e-20 1.426e-20 -19.511 -19.846 -0.335 (0) - PuO2F+ 1.313e-20 1.083e-20 -19.882 -19.965 -0.084 (0) - PuO2(SO4) 7.121e-21 7.121e-21 -20.147 -20.147 0.000 (0) - PuO2(OSi(OH)3)+ 1.419e-21 1.170e-21 -20.848 -20.932 -0.084 (0) - PuO2(CO3)2-2 5.243e-22 2.420e-22 -21.280 -21.616 -0.336 (0) - PuO2F2 1.110e-22 1.110e-22 -21.955 -21.955 0.000 (0) - PuO2(SO4)2-2 3.357e-23 1.552e-23 -22.474 -22.809 -0.335 (0) - PuO2Cl+ 2.228e-23 1.838e-23 -22.652 -22.736 -0.083 (0) - PuO2F3- 6.158e-25 5.078e-25 -24.211 -24.294 -0.084 (0) - PuO2(CO3)3-4 6.151e-26 2.809e-27 -25.211 -26.551 -1.340 (0) - PuO2Cl2 5.816e-28 5.816e-28 -27.235 -27.235 0.000 (0) - PuO2(CO3)6(UO2)2-6 3.504e-29 3.383e-32 -28.455 -31.471 -3.015 (0) - (PuO2)2(OH)2+2 1.390e-33 6.425e-34 -32.857 -33.192 -0.335 (0) - PuO2NO3+ 0.000e+00 0.000e+00 -40.565 -40.648 -0.084 (0) - (PuO2)3(CO3)6-6 0.000e+00 0.000e+00 -59.913 -62.929 -3.016 (0) + Pu(OH)4 8.373e-04 8.373e-04 -3.077 -3.077 0.000 (0) + Pu(OH)3+ 1.615e-04 1.328e-04 -3.792 -3.877 -0.085 (0) + Pu(OH)2(CO3)2-2 1.192e-06 5.446e-07 -5.924 -6.264 -0.340 (0) + Pu(OH)2+2 2.310e-08 1.055e-08 -7.636 -7.977 -0.340 (0) + Pu(OH)+3 6.152e-15 1.056e-15 -14.211 -14.976 -0.765 (0) + PuF2+2 1.147e-16 5.243e-17 -15.940 -16.280 -0.340 (0) + Pu(CO3)4-4 9.780e-17 4.259e-18 -16.010 -17.371 -1.361 (0) + PuF3+ 3.253e-17 2.675e-17 -16.488 -16.573 -0.085 (0) + PuF+3 2.124e-18 3.646e-19 -17.673 -18.438 -0.765 (0) + Pu(SO4)2 1.499e-19 1.499e-19 -18.824 -18.824 0.000 (0) + Pu(SO4)+2 9.119e-20 4.168e-20 -19.040 -19.380 -0.340 (0) + Pu+4 6.094e-22 2.654e-23 -21.215 -22.576 -1.361 (0) + PuCl+3 7.345e-24 1.261e-24 -23.134 -23.899 -0.765 (0) + PuBr+3 2.978e-24 5.111e-25 -23.526 -24.292 -0.765 (0) + Pu(CO3)5-6 2.470e-24 2.141e-27 -23.607 -26.669 -3.062 (0) + PuI+3 3.340e-26 5.732e-27 -25.476 -26.242 -0.765 (0) + PuH3PO4+4 2.465e-31 1.074e-32 -30.608 -31.969 -1.361 (0) + Ca4Pu(OH)8+4 2.326e-36 1.013e-37 -35.633 -36.994 -1.361 (0) + Pu(NO3)+3 0.000e+00 0.000e+00 -40.597 -41.363 -0.766 (0) +Pu(5) 1.150e-08 + PuO2+ 1.144e-08 9.406e-09 -7.942 -8.027 -0.085 (0) + PuO2(SO4)- 4.212e-11 3.462e-11 -10.375 -10.461 -0.085 (0) + PuO2(CO3)- 1.380e-11 1.134e-11 -10.860 -10.945 -0.085 (0) + PuO2F 2.959e-12 2.959e-12 -11.529 -11.529 0.000 (0) + PuO2OH 4.711e-13 4.711e-13 -12.327 -12.327 0.000 (0) + PuO2(HPO4)- 1.842e-13 1.515e-13 -12.735 -12.820 -0.085 (0) + PuO2(CO3)2-3 1.519e-17 2.607e-18 -16.818 -17.584 -0.766 (0) + PuO2(CO3)3-5 7.318e-25 5.463e-27 -24.136 -26.263 -2.127 (0) +Pu(6) 1.198e-18 + PuO2(OH)+ 5.473e-19 4.499e-19 -18.262 -18.347 -0.085 (0) + PuO2(CO3) 5.067e-19 5.067e-19 -18.295 -18.295 0.000 (0) + PuO2(OH)2 8.971e-20 8.971e-20 -19.047 -19.047 0.000 (0) + PuO2+2 3.115e-20 1.424e-20 -19.507 -19.847 -0.340 (0) + PuO2F+ 1.248e-20 1.026e-20 -19.904 -19.989 -0.085 (0) + PuO2(SO4) 6.908e-21 6.908e-21 -20.161 -20.161 0.000 (0) + PuO2(CO3)2-2 1.982e-21 9.038e-22 -20.703 -21.044 -0.341 (0) + PuO2(OSi(OH)3)+ 1.262e-21 1.037e-21 -20.899 -20.984 -0.085 (0) + PuO2F2 9.977e-23 9.977e-23 -22.001 -22.001 0.000 (0) + PuO2(SO4)2-2 3.204e-23 1.463e-23 -22.494 -22.835 -0.340 (0) + PuO2Cl+ 2.212e-23 1.820e-23 -22.655 -22.740 -0.085 (0) + PuO2(OH)3- 1.728e-23 1.421e-23 -22.762 -22.847 -0.085 (0) + PuO2F3- 5.270e-25 4.333e-25 -24.278 -24.363 -0.085 (0) + PuO2(CO3)3-4 4.662e-25 2.030e-26 -24.331 -25.693 -1.361 (0) + PuO2(CO3)6(UO2)2-6 1.583e-27 1.372e-30 -26.801 -29.863 -3.062 (0) + PuO2Cl2 5.710e-28 5.710e-28 -27.243 -27.243 0.000 (0) + (PuO2)2(OH)2+2 1.402e-33 6.401e-34 -32.853 -33.194 -0.340 (0) + PuO2NO3+ 0.000e+00 0.000e+00 -40.399 -40.484 -0.085 (0) + (PuO2)3(CO3)6-6 0.000e+00 0.000e+00 -53.169 -56.232 -3.063 (0) Ra 1.000e-03 - Ra+2 9.472e-04 4.379e-04 -3.024 -3.359 -0.335 (0) - Ra(SO4) 5.244e-05 5.244e-05 -4.280 -4.280 0.000 (0) - RaCl+ 3.202e-07 2.640e-07 -6.495 -6.578 -0.084 (0) - RaF+ 3.355e-08 2.766e-08 -7.474 -7.558 -0.084 (0) - Ra(HCO3)+ 2.570e-08 2.119e-08 -7.590 -7.674 -0.084 (0) - Ra(CO3) 8.057e-10 8.057e-10 -9.094 -9.094 0.000 (0) - RaCl2 2.004e-10 2.004e-10 -9.698 -9.698 0.000 (0) - Ra(OH)+ 1.717e-10 1.416e-10 -9.765 -9.849 -0.084 (0) - Ra(OH)2 3.723e-18 3.723e-18 -17.429 -17.429 0.000 (0) + Ra+2 9.491e-04 4.336e-04 -3.023 -3.363 -0.340 (0) + Ra(SO4) 5.047e-05 5.047e-05 -4.297 -4.297 0.000 (0) + RaCl+ 3.153e-07 2.592e-07 -6.501 -6.586 -0.085 (0) + Ra(HCO3)+ 4.937e-08 4.059e-08 -7.307 -7.392 -0.085 (0) + RaF+ 3.162e-08 2.599e-08 -7.500 -7.585 -0.085 (0) + Ra(CO3) 1.543e-09 1.543e-09 -8.812 -8.812 0.000 (0) + RaCl2 1.951e-10 1.951e-10 -9.710 -9.710 0.000 (0) + Ra(OH)+ 1.706e-10 1.402e-10 -9.768 -9.853 -0.085 (0) + Ra(OH)2 3.686e-18 3.686e-18 -17.433 -17.433 0.000 (0) Rb 1.000e-03 - Rb+ 9.998e-04 8.244e-04 -3.000 -3.084 -0.084 (0) - RbF 1.502e-07 1.502e-07 -6.823 -6.823 0.000 (0) - RbCl 6.114e-08 6.114e-08 -7.214 -7.214 0.000 (0) - RbBr 2.283e-08 2.283e-08 -7.642 -7.642 0.000 (0) - RbI 6.157e-10 6.157e-10 -9.211 -9.211 0.000 (0) - RbOH 4.528e-11 4.528e-11 -10.344 -10.344 0.000 (0) + Rb+ 9.998e-04 8.219e-04 -3.000 -3.085 -0.085 (0) + RbF 1.421e-07 1.421e-07 -6.847 -6.847 0.000 (0) + RbCl 6.046e-08 6.046e-08 -7.219 -7.219 0.000 (0) + RbBr 2.287e-08 2.287e-08 -7.641 -7.641 0.000 (0) + RbI 6.154e-10 6.154e-10 -9.211 -9.211 0.000 (0) + RbOH 4.514e-11 4.514e-11 -10.345 -10.345 0.000 (0) S(-2) 0.000e+00 - Ag(HS) 0.000e+00 0.000e+00 -55.661 -55.661 0.000 (0) - CdHS+ 0.000e+00 0.000e+00 -60.909 -60.993 -0.084 (0) - CoHS+ 0.000e+00 0.000e+00 -62.583 -62.667 -0.084 (0) - NiHS+ 0.000e+00 0.000e+00 -62.795 -62.879 -0.084 (0) - Fe(HS)+ 0.000e+00 0.000e+00 -64.345 -64.429 -0.084 (0) - HS- 0.000e+00 0.000e+00 -64.907 -64.991 -0.084 (0) - H2S 0.000e+00 0.000e+00 -65.001 -65.001 0.000 (0) - S-2 0.000e+00 0.000e+00 -74.756 -75.091 -0.335 (0) - Ag(HS)2- 0.000e+00 0.000e+00 -116.168 -116.252 -0.084 (0) - S2-2 0.000e+00 0.000e+00 -118.187 -118.522 -0.335 (0) - Pb(HS)2 0.000e+00 0.000e+00 -118.447 -118.447 0.000 (0) - Cd(HS)2 0.000e+00 0.000e+00 -118.934 -118.934 0.000 (0) - Ni(HS)2 0.000e+00 0.000e+00 -122.270 -122.270 0.000 (0) - Co(HS)2 0.000e+00 0.000e+00 -124.558 -124.558 0.000 (0) - Fe(HS)2 0.000e+00 0.000e+00 -127.310 -127.310 0.000 (0) - S3-2 0.000e+00 0.000e+00 -164.148 -164.483 -0.335 (0) - Pb(HS)3- 0.000e+00 0.000e+00 -182.104 -182.188 -0.084 (0) - S4-2 0.000e+00 0.000e+00 -211.209 -211.544 -0.335 (0) - Sb2HS4- 0.000e+00 0.000e+00 -243.224 -243.308 -0.084 (0) - Sb2H2S4 0.000e+00 0.000e+00 -245.398 -245.398 0.000 (0) - Sb2S4-2 0.000e+00 0.000e+00 -245.493 -245.828 -0.335 (0) - S5-2 0.000e+00 0.000e+00 -258.489 -258.824 -0.335 (0) + HgS 0.000e+00 0.000e+00 -45.595 -45.595 0.000 (0) + Hg(HS)+ 0.000e+00 0.000e+00 -48.510 -48.595 -0.085 (0) + Ag(HS) 0.000e+00 0.000e+00 -55.675 -55.675 0.000 (0) + CuHS 0.000e+00 0.000e+00 -57.392 -57.392 0.000 (0) + CdHS+ 0.000e+00 0.000e+00 -60.921 -61.006 -0.085 (0) + CoHS+ 0.000e+00 0.000e+00 -62.599 -62.684 -0.085 (0) + NiHS+ 0.000e+00 0.000e+00 -62.810 -62.895 -0.085 (0) + HS- 0.000e+00 0.000e+00 -64.918 -65.003 -0.085 (0) + H2S 0.000e+00 0.000e+00 -65.013 -65.013 0.000 (0) + Fe(HS)+ 0.000e+00 0.000e+00 -65.156 -65.241 -0.085 (0) + S-2 0.000e+00 0.000e+00 -74.763 -75.103 -0.340 (0) + HgS(HS)- 0.000e+00 0.000e+00 -105.013 -105.098 -0.085 (0) + HgS2-2 0.000e+00 0.000e+00 -106.258 -106.598 -0.340 (0) + Hg(HS)2 0.000e+00 0.000e+00 -106.598 -106.598 0.000 (0) + Ag(HS)2- 0.000e+00 0.000e+00 -116.193 -116.278 -0.085 (0) + Cu(HS)2- 0.000e+00 0.000e+00 -118.130 -118.215 -0.085 (0) + S2-2 0.000e+00 0.000e+00 -118.206 -118.546 -0.340 (0) + Pb(HS)2 0.000e+00 0.000e+00 -118.950 -118.950 0.000 (0) + Cd(HS)2 0.000e+00 0.000e+00 -118.959 -118.959 0.000 (0) + Ni(HS)2 0.000e+00 0.000e+00 -122.298 -122.298 0.000 (0) + Co(HS)2 0.000e+00 0.000e+00 -124.587 -124.587 0.000 (0) + CH3HgSH 0.000e+00 0.000e+00 -126.613 -126.613 0.000 (0) + Fe(HS)2 0.000e+00 0.000e+00 -128.134 -128.134 0.000 (0) + CH3HgS- 0.000e+00 0.000e+00 -130.028 -130.113 -0.085 (0) + S3-2 0.000e+00 0.000e+00 -164.179 -164.519 -0.340 (0) + Cu2S(HS)2-2 0.000e+00 0.000e+00 -168.577 -168.918 -0.340 (0) + Pb(HS)3- 0.000e+00 0.000e+00 -182.617 -182.702 -0.085 (0) + S4-2 0.000e+00 0.000e+00 -211.251 -211.592 -0.340 (0) + Sb2HS4- 0.000e+00 0.000e+00 -243.273 -243.359 -0.085 (0) + Sb2H2S4 0.000e+00 0.000e+00 -245.449 -245.449 0.000 (0) + Sb2S4-2 0.000e+00 0.000e+00 -245.538 -245.879 -0.340 (0) + S5-2 0.000e+00 0.000e+00 -258.544 -258.885 -0.340 (0) S(2) 0.000e+00 - Ag(S2O3)- 0.000e+00 0.000e+00 -66.208 -66.292 -0.084 (0) - S2O3-2 0.000e+00 0.000e+00 -70.467 -70.802 -0.335 (0) - Cd(S2O3) 0.000e+00 0.000e+00 -71.724 -71.724 0.000 (0) - CoS2O3 0.000e+00 0.000e+00 -72.098 -72.098 0.000 (0) - Sr(S2O3) 0.000e+00 0.000e+00 -72.106 -72.106 0.000 (0) - Ni(S2O3) 0.000e+00 0.000e+00 -72.130 -72.130 0.000 (0) - Ca(S2O3) 0.000e+00 0.000e+00 -72.259 -72.259 0.000 (0) - Mg(S2O3) 0.000e+00 0.000e+00 -72.325 -72.325 0.000 (0) - Mn(S2O3) 0.000e+00 0.000e+00 -72.335 -72.335 0.000 (0) - Na(S2O3)- 0.000e+00 0.000e+00 -73.192 -73.276 -0.084 (0) - UO2(S2O3) 0.000e+00 0.000e+00 -75.849 -75.849 0.000 (0) - H(S2O3)- 0.000e+00 0.000e+00 -75.999 -76.082 -0.084 (0) - FeS2O3+ 0.000e+00 0.000e+00 -79.607 -79.690 -0.084 (0) - H2(S2O3) 0.000e+00 0.000e+00 -82.482 -82.482 0.000 (0) - Ag(S2O3)2-3 0.000e+00 0.000e+00 -131.931 -132.684 -0.754 (0) + CuS2O3- 0.000e+00 0.000e+00 -65.991 -66.076 -0.085 (0) + Ag(S2O3)- 0.000e+00 0.000e+00 -66.224 -66.309 -0.085 (0) + S2O3-2 0.000e+00 0.000e+00 -70.476 -70.817 -0.340 (0) + Cd(S2O3) 0.000e+00 0.000e+00 -71.740 -71.740 0.000 (0) + CoS2O3 0.000e+00 0.000e+00 -72.117 -72.117 0.000 (0) + Sr(S2O3) 0.000e+00 0.000e+00 -72.125 -72.125 0.000 (0) + Ni(S2O3) 0.000e+00 0.000e+00 -72.149 -72.149 0.000 (0) + Mg(S2O3) 0.000e+00 0.000e+00 -72.344 -72.344 0.000 (0) + Mn(S2O3) 0.000e+00 0.000e+00 -72.348 -72.348 0.000 (0) + Ca(S2O3) 0.000e+00 0.000e+00 -72.828 -72.828 0.000 (0) + Na(S2O3)- 0.000e+00 0.000e+00 -73.207 -73.292 -0.085 (0) + UO2(S2O3) 0.000e+00 0.000e+00 -75.919 -75.919 0.000 (0) + H(S2O3)- 0.000e+00 0.000e+00 -76.012 -76.097 -0.085 (0) + FeS2O3+ 0.000e+00 0.000e+00 -80.460 -80.545 -0.085 (0) + H2(S2O3) 0.000e+00 0.000e+00 -82.497 -82.497 0.000 (0) + Ag(S2O3)2-3 0.000e+00 0.000e+00 -131.950 -132.716 -0.766 (0) S(3) 0.000e+00 - S2O4-2 0.000e+00 0.000e+00 -76.327 -76.662 -0.335 (0) - HS2O4- 0.000e+00 0.000e+00 -81.079 -81.162 -0.084 (0) - H2S2O4 0.000e+00 0.000e+00 -87.862 -87.862 0.000 (0) -S(4) 3.876e-29 - Ag(SO3)- 1.872e-29 1.543e-29 -28.728 -28.812 -0.084 (0) - SO3-2 1.080e-29 4.993e-30 -28.967 -29.302 -0.335 (0) - H(SO3)- 8.956e-30 7.385e-30 -29.048 -29.132 -0.084 (0) - UO2(SO3) 2.828e-31 2.828e-31 -30.548 -30.548 0.000 (0) - SO2 5.354e-35 5.354e-35 -34.271 -34.271 0.000 (0) - H2(SO3) 5.350e-35 5.350e-35 -34.272 -34.272 0.000 (0) - S2O5-2 0.000e+00 0.000e+00 -59.418 -59.753 -0.335 (0) - S3O6-2 0.000e+00 0.000e+00 -100.749 -101.084 -0.335 (0) - S4O6-2 0.000e+00 0.000e+00 -134.070 -134.405 -0.335 (0) - S5O6-2 0.000e+00 0.000e+00 -196.791 -197.126 -0.335 (0) + S2O4-2 0.000e+00 0.000e+00 -76.347 -76.687 -0.340 (0) + HS2O4- 0.000e+00 0.000e+00 -81.102 -81.187 -0.085 (0) + H2S2O4 0.000e+00 0.000e+00 -87.887 -87.887 0.000 (0) +S(4) 4.973e-29 + Ag(SO3)- 3.012e-29 2.476e-29 -28.521 -28.606 -0.085 (0) + SO3-2 1.063e-29 4.856e-30 -28.973 -29.314 -0.340 (0) + H(SO3)- 8.736e-30 7.182e-30 -29.059 -29.144 -0.085 (0) + UO2(SO3) 2.422e-31 2.422e-31 -30.616 -30.616 0.000 (0) + SO2 5.206e-35 5.206e-35 -34.283 -34.283 0.000 (0) + H2(SO3) 5.203e-35 5.203e-35 -34.284 -34.284 0.000 (0) + S2O5-2 0.000e+00 0.000e+00 -59.437 -59.777 -0.340 (0) + S3O6-2 0.000e+00 0.000e+00 -100.780 -101.120 -0.340 (0) + S4O6-2 0.000e+00 0.000e+00 -134.113 -134.453 -0.340 (0) + S5O6-2 0.000e+00 0.000e+00 -196.836 -197.176 -0.340 (0) S(6) 1.000e-03 - SO4-2 4.502e-04 2.081e-04 -3.347 -3.682 -0.335 (0) - Sm(SO4)+ 6.635e-05 5.473e-05 -4.178 -4.262 -0.084 (0) - Eu(SO4)+ 6.129e-05 5.055e-05 -4.213 -4.296 -0.084 (0) - Am(SO4)+ 5.270e-05 4.347e-05 -4.278 -4.362 -0.084 (0) - Ra(SO4) 5.244e-05 5.244e-05 -4.280 -4.280 0.000 (0) - CmSO4+ 5.165e-05 4.260e-05 -4.287 -4.371 -0.084 (0) - Pb(SO4) 4.605e-05 4.605e-05 -4.337 -4.337 0.000 (0) - Ba(SO4) 4.601e-05 4.601e-05 -4.337 -4.337 0.000 (0) - Ho(SO4)+ 3.761e-05 3.102e-05 -4.425 -4.508 -0.084 (0) - Cd(SO4) 2.025e-05 2.025e-05 -4.694 -4.694 0.000 (0) - Ni(SO4) 1.908e-05 1.908e-05 -4.719 -4.719 0.000 (0) - Sr(SO4) 1.882e-05 1.882e-05 -4.725 -4.725 0.000 (0) - CoSO4 1.873e-05 1.873e-05 -4.727 -4.727 0.000 (0) - Ca(SO4) 1.869e-05 1.869e-05 -4.728 -4.728 0.000 (0) - Mg(SO4) 1.605e-05 1.605e-05 -4.795 -4.795 0.000 (0) - Mn(SO4) 1.366e-05 1.366e-05 -4.864 -4.864 0.000 (0) - Fe(SO4) 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - Sm(SO4)2- 6.923e-07 5.708e-07 -6.160 -6.244 -0.084 (0) - Eu(SO4)2- 6.396e-07 5.273e-07 -6.194 -6.278 -0.084 (0) - NpO2(SO4)- 5.693e-07 4.686e-07 -6.245 -6.329 -0.084 (0) - Ho(SO4)2- 2.476e-07 2.041e-07 -6.606 -6.690 -0.084 (0) - Am(SO4)2- 1.446e-07 1.193e-07 -6.840 -6.924 -0.084 (0) - Cm(SO4)2- 1.417e-07 1.169e-07 -6.848 -6.932 -0.084 (0) - Ag(SO4)- 1.154e-07 9.514e-08 -6.938 -7.022 -0.084 (0) - Cd(SO4)2-2 1.071e-07 4.950e-08 -6.970 -7.305 -0.335 (0) - Pb(SO4)2-2 9.269e-08 4.281e-08 -7.033 -7.368 -0.336 (0) - Ni(SO4)2-2 3.927e-08 1.815e-08 -7.406 -7.741 -0.335 (0) - UO2(SO4) 4.183e-09 4.183e-09 -8.379 -8.379 0.000 (0) - Pu(SO4)+ 2.671e-09 2.203e-09 -8.573 -8.657 -0.084 (0) - H(SO4)- 2.410e-09 1.987e-09 -8.618 -8.702 -0.084 (0) - CrSO4+ 2.173e-09 1.792e-09 -8.663 -8.747 -0.084 (0) - Al(SO4)+ 1.110e-09 9.152e-10 -8.955 -9.038 -0.084 (0) - Pu(SO4)2- 3.429e-11 2.827e-11 -10.465 -10.549 -0.084 (0) - UO2(SO4)2-2 1.840e-11 8.506e-12 -10.735 -11.070 -0.335 (0) - PuO2(SO4)- 6.561e-12 5.401e-12 -11.183 -11.267 -0.084 (0) - Fe(HSO4)+ 4.941e-12 4.075e-12 -11.306 -11.390 -0.084 (0) - Fe(SO4)+ 5.174e-13 4.267e-13 -12.286 -12.370 -0.084 (0) - Th(SO4)+2 1.726e-13 7.982e-14 -12.763 -13.098 -0.335 (0) - Th(SO4)2 5.501e-14 5.501e-14 -13.260 -13.260 0.000 (0) - Pd(SO4) 8.454e-15 8.454e-15 -14.073 -14.073 0.000 (0) - UO2(SO4)3-4 2.939e-15 1.343e-16 -14.532 -15.872 -1.340 (0) - Fe(SO4)2- 2.149e-15 1.772e-15 -14.668 -14.752 -0.084 (0) - Th(SO4)3-2 2.843e-16 1.314e-16 -15.546 -15.881 -0.335 (0) - PaO(SO4)+ 1.537e-16 1.267e-16 -15.813 -15.897 -0.084 (0) - Pd(SO4)2-2 6.926e-17 3.201e-17 -16.160 -16.495 -0.335 (0) - PaO(SO4)2- 4.120e-17 3.397e-17 -16.385 -16.469 -0.084 (0) - Hf(SO4)2 8.780e-18 8.780e-18 -17.056 -17.056 0.000 (0) - HfSO4+2 8.133e-18 3.760e-18 -17.090 -17.425 -0.335 (0) - PaO(SO4)3-3 1.560e-18 2.751e-19 -17.807 -18.561 -0.754 (0) - FeHSO4+2 2.163e-19 1.000e-19 -18.665 -19.000 -0.335 (0) - Pu(SO4)2 1.590e-19 1.590e-19 -18.799 -18.799 0.000 (0) - Pu(SO4)+2 9.286e-20 4.295e-20 -19.032 -19.367 -0.335 (0) - NpO2(SO4) 8.334e-20 8.334e-20 -19.079 -19.079 0.000 (0) - PuO2(SO4) 7.121e-21 7.121e-21 -20.147 -20.147 0.000 (0) - NpO2(SO4)2-2 9.870e-22 4.562e-22 -21.006 -21.341 -0.335 (0) - Np(SO4)2 6.450e-22 6.450e-22 -21.190 -21.190 0.000 (0) - Np(SO4)+2 4.228e-22 1.956e-22 -21.374 -21.709 -0.335 (0) - PuO2(SO4)2-2 3.357e-23 1.552e-23 -22.474 -22.809 -0.335 (0) - Np(SO4)+ 1.216e-25 1.003e-25 -24.915 -24.999 -0.084 (0) - Zr(SO4)2 1.510e-27 1.510e-27 -26.821 -26.821 0.000 (0) - Np(SO4)2- 1.269e-27 1.046e-27 -26.897 -26.980 -0.084 (0) - ZrSO4+2 4.961e-28 2.294e-28 -27.304 -27.639 -0.335 (0) - Zr(SO4)3-2 3.910e-28 1.808e-28 -27.408 -27.743 -0.335 (0) - U(SO4)+2 2.672e-32 1.236e-32 -31.573 -31.908 -0.335 (0) - U(SO4)2 2.189e-32 2.189e-32 -31.660 -31.660 0.000 (0) - Sn(SO4) 1.501e-34 1.501e-34 -33.824 -33.824 0.000 (0) - HSO5- 0.000e+00 0.000e+00 -48.808 -48.892 -0.084 (0) - S2O8-2 0.000e+00 0.000e+00 -64.408 -64.743 -0.335 (0) -Sb(3) 2.382e-08 - Sb(OH)3 2.382e-08 2.382e-08 -7.623 -7.623 0.000 (0) - Sb(OH)4- 4.370e-13 3.603e-13 -12.360 -12.443 -0.084 (0) - Sb(OH)2+ 6.181e-14 5.097e-14 -13.209 -13.293 -0.084 (0) - Sb(OH)+2 2.835e-21 1.311e-21 -20.547 -20.882 -0.335 (0) - SbF3 3.462e-25 3.462e-25 -24.461 -24.461 0.000 (0) - SbF2+ 3.331e-26 2.747e-26 -25.477 -25.561 -0.084 (0) - SbF+2 2.531e-27 1.170e-27 -26.597 -26.932 -0.335 (0) - Sb+3 2.521e-29 4.445e-30 -28.598 -29.352 -0.754 (0) - SbCl+2 2.472e-29 1.143e-29 -28.607 -28.942 -0.335 (0) - SbCl2+ 3.105e-32 2.560e-32 -31.508 -31.592 -0.084 (0) - Sb2HS4- 0.000e+00 0.000e+00 -243.224 -243.308 -0.084 (0) - Sb2H2S4 0.000e+00 0.000e+00 -245.398 -245.398 0.000 (0) - Sb2S4-2 0.000e+00 0.000e+00 -245.493 -245.828 -0.335 (0) + SO4-2 4.429e-04 2.023e-04 -3.354 -3.694 -0.340 (0) + Sm(SO4)+ 7.333e-05 6.031e-05 -4.135 -4.220 -0.085 (0) + Eu(SO4)+ 6.919e-05 5.690e-05 -4.160 -4.245 -0.085 (0) + Am(SO4)+ 5.988e-05 4.924e-05 -4.223 -4.308 -0.085 (0) + Cm(SO4)+ 5.959e-05 4.901e-05 -4.225 -4.310 -0.085 (0) + Ho(SO4)+ 5.118e-05 4.209e-05 -4.291 -4.376 -0.085 (0) + Ra(SO4) 5.047e-05 5.047e-05 -4.297 -4.297 0.000 (0) + Ba(SO4) 4.427e-05 4.427e-05 -4.354 -4.354 0.000 (0) + Cd(SO4) 1.963e-05 1.963e-05 -4.707 -4.707 0.000 (0) + Ni(SO4) 1.835e-05 1.835e-05 -4.736 -4.736 0.000 (0) + Sr(SO4) 1.809e-05 1.809e-05 -4.743 -4.743 0.000 (0) + CoSO4 1.800e-05 1.800e-05 -4.745 -4.745 0.000 (0) + Ca(SO4) 1.797e-05 1.797e-05 -4.746 -4.746 0.000 (0) + Mg(SO4) 1.543e-05 1.543e-05 -4.812 -4.812 0.000 (0) + Pb(SO4) 1.487e-05 1.487e-05 -4.828 -4.828 0.000 (0) + Mn(SO4) 1.332e-05 1.332e-05 -4.875 -4.875 0.000 (0) + NpO2(SO4)- 3.986e-06 3.278e-06 -5.399 -5.484 -0.085 (0) + CuSO4 2.492e-06 2.492e-06 -5.603 -5.603 0.000 (0) + Fe(SO4) 1.471e-06 1.471e-06 -5.833 -5.833 0.000 (0) + Sm(SO4)2- 7.438e-07 6.114e-07 -6.129 -6.214 -0.085 (0) + Eu(SO4)2- 7.018e-07 5.769e-07 -6.154 -6.239 -0.085 (0) + Am(SO4)2- 3.832e-07 3.150e-07 -6.417 -6.502 -0.085 (0) + Cm(SO4)2- 3.814e-07 3.135e-07 -6.419 -6.504 -0.085 (0) + Ho(SO4)2- 3.276e-07 2.693e-07 -6.485 -6.570 -0.085 (0) + Ag(SO4)- 1.118e-07 9.193e-08 -6.951 -7.037 -0.085 (0) + Cd(SO4)2-2 1.021e-07 4.665e-08 -6.991 -7.331 -0.340 (0) + Ni(SO4)2-2 3.717e-08 1.697e-08 -7.430 -7.770 -0.340 (0) + BeSO4 3.251e-08 3.251e-08 -7.488 -7.488 0.000 (0) + Pb(SO4)2-2 2.945e-08 1.344e-08 -7.531 -7.872 -0.341 (0) + UO2(SO4) 3.581e-09 3.581e-09 -8.446 -8.446 0.000 (0) + Pu(SO4)+ 2.599e-09 2.138e-09 -8.585 -8.670 -0.085 (0) + H(SO4)- 2.350e-09 1.932e-09 -8.629 -8.714 -0.085 (0) + CrSO4+ 2.119e-09 1.742e-09 -8.674 -8.759 -0.085 (0) + Al(SO4)+ 1.103e-09 9.066e-10 -8.958 -9.043 -0.085 (0) + Be(SO4)2-2 3.007e-10 1.374e-10 -9.522 -9.862 -0.340 (0) + PuO2(SO4)- 4.212e-11 3.462e-11 -10.375 -10.461 -0.085 (0) + Pu(SO4)2- 3.244e-11 2.666e-11 -10.489 -10.574 -0.085 (0) + UO2(SO4)2-2 1.550e-11 7.078e-12 -10.810 -11.150 -0.340 (0) + Be(SO4)3-4 1.084e-11 4.720e-13 -10.965 -12.326 -1.361 (0) + Th(SO4)+2 1.678e-13 7.666e-14 -12.775 -13.115 -0.340 (0) + Fe(SO4)+ 1.029e-13 8.462e-14 -12.987 -13.073 -0.085 (0) + Th(SO4)2 5.135e-14 5.135e-14 -13.289 -13.289 0.000 (0) + Pd(SO4) 4.188e-15 4.188e-15 -14.378 -14.378 0.000 (0) + UO2(SO4)3-4 2.494e-15 1.086e-16 -14.603 -15.964 -1.361 (0) + Fe(SO4)2- 1.943e-15 1.598e-15 -14.711 -14.797 -0.085 (0) + HgSO4 7.828e-16 7.828e-16 -15.106 -15.106 0.000 (0) + Th(SO4)3-2 2.611e-16 1.193e-16 -15.583 -15.923 -0.340 (0) + PaO(SO4)+ 1.496e-16 1.230e-16 -15.825 -15.910 -0.085 (0) + PaO(SO4)2- 3.898e-17 3.204e-17 -16.409 -16.494 -0.085 (0) + Pd(SO4)2-2 3.375e-17 1.542e-17 -16.472 -16.812 -0.340 (0) + Hf(SO4)2 8.295e-18 8.295e-18 -17.081 -17.081 0.000 (0) + HfSO4+2 8.000e-18 3.655e-18 -17.097 -17.437 -0.340 (0) + PaO(SO4)3-3 1.470e-18 2.522e-19 -17.833 -18.598 -0.766 (0) + Pu(SO4)2 1.499e-19 1.499e-19 -18.824 -18.824 0.000 (0) + Pu(SO4)+2 9.119e-20 4.168e-20 -19.040 -19.380 -0.340 (0) + NpO2(SO4) 8.046e-20 8.046e-20 -19.094 -19.094 0.000 (0) + PuO2(SO4) 6.908e-21 6.908e-21 -20.161 -20.161 0.000 (0) + NpO2(SO4)2-2 9.373e-22 4.281e-22 -21.028 -21.368 -0.340 (0) + Np(SO4)2 6.055e-22 6.055e-22 -21.218 -21.218 0.000 (0) + Np(SO4)+2 4.132e-22 1.889e-22 -21.384 -21.724 -0.340 (0) + PuO2(SO4)2-2 3.204e-23 1.463e-23 -22.494 -22.835 -0.340 (0) + Np(SO4)+ 8.532e-26 7.017e-26 -25.069 -25.154 -0.085 (0) + Zr(SO4)2 1.426e-27 1.426e-27 -26.846 -26.846 0.000 (0) + ZrSO4+2 4.880e-28 2.229e-28 -27.312 -27.652 -0.340 (0) + Np(SO4)2- 4.756e-28 3.909e-28 -27.323 -27.408 -0.085 (0) + Zr(SO4)3-2 3.634e-28 1.660e-28 -27.440 -27.780 -0.340 (0) + U(SO4)+2 2.315e-32 1.058e-32 -31.635 -31.975 -0.340 (0) + U(SO4)2 1.822e-32 1.822e-32 -31.740 -31.740 0.000 (0) + Sn(SO4) 1.459e-34 1.459e-34 -33.836 -33.836 0.000 (0) + HSO5- 0.000e+00 0.000e+00 -48.819 -48.904 -0.085 (0) + S2O8-2 0.000e+00 0.000e+00 -64.428 -64.768 -0.340 (0) + CH3HgSO4- 0.000e+00 0.000e+00 -77.079 -77.164 -0.085 (0) +Sb(3) 2.376e-08 + Sb(OH)3 2.375e-08 2.375e-08 -7.624 -7.624 0.000 (0) + Sb(OH)4- 4.370e-13 3.593e-13 -12.359 -12.445 -0.085 (0) + Sb(OH)2+ 6.181e-14 5.082e-14 -13.209 -13.294 -0.085 (0) + Sb(OH)+2 2.861e-21 1.307e-21 -20.543 -20.884 -0.340 (0) + SbF3 2.951e-25 2.951e-25 -24.530 -24.530 0.000 (0) + SbF2+ 3.001e-26 2.467e-26 -25.523 -25.608 -0.085 (0) + SbF+2 2.424e-27 1.108e-27 -26.615 -26.956 -0.340 (0) + Sb+3 2.583e-29 4.432e-30 -28.588 -29.353 -0.766 (0) + SbCl+2 2.474e-29 1.130e-29 -28.607 -28.947 -0.340 (0) + SbCl2+ 3.054e-32 2.511e-32 -31.515 -31.600 -0.085 (0) + Sb2HS4- 0.000e+00 0.000e+00 -243.273 -243.359 -0.085 (0) + Sb2H2S4 0.000e+00 0.000e+00 -245.449 -245.449 0.000 (0) + Sb2S4-2 0.000e+00 0.000e+00 -245.538 -245.879 -0.340 (0) Sb(5) 1.000e-03 - Sb(OH)6- 9.999e-04 8.245e-04 -3.000 -3.084 -0.084 (0) - Sb(OH)5 4.330e-08 4.330e-08 -7.364 -7.364 0.000 (0) - Sb(OH)4+ 2.888e-18 2.381e-18 -17.539 -17.623 -0.084 (0) - Sb12(OH)67-7 6.457e-30 5.081e-34 -29.190 -33.294 -4.104 (0) - Sb12(OH)66-6 3.479e-32 3.359e-35 -31.459 -34.474 -3.015 (0) - Sb12(OH)65-5 2.821e-35 2.273e-37 -34.550 -36.643 -2.094 (0) - Sb12(OH)64-4 2.075e-39 0.000e+00 -38.683 -40.023 -1.340 (0) -Se(-2) 1.000e-03 - HgSe 1.000e-03 1.000e-03 -3.000 -3.000 0.000 (0) - HSe- 7.980e-32 6.580e-32 -31.098 -31.182 -0.084 (0) - HgSe2-2 1.560e-32 7.215e-33 -31.807 -32.142 -0.335 (0) - H2Se 4.658e-35 4.658e-35 -34.332 -34.332 0.000 (0) - Se-2 1.751e-39 8.095e-40 -38.757 -39.092 -0.335 (0) - Se2-2 0.000e+00 0.000e+00 -44.528 -44.864 -0.335 (0) - Se3-2 0.000e+00 0.000e+00 -50.970 -51.305 -0.335 (0) - Se4-2 0.000e+00 0.000e+00 -59.012 -59.347 -0.335 (0) -Se(4) 4.069e-10 - Pb(SeO3) 3.487e-10 3.487e-10 -9.457 -9.457 0.000 (0) - H(SeO3)- 5.387e-11 4.442e-11 -10.269 -10.352 -0.084 (0) - SeO3-2 4.195e-12 1.939e-12 -11.377 -11.712 -0.335 (0) - Ag(SeO3)- 7.103e-14 5.857e-14 -13.149 -13.232 -0.084 (0) - Fe(SeO3)+ 5.409e-14 4.460e-14 -13.267 -13.351 -0.084 (0) - H2(SeO3) 1.939e-15 1.939e-15 -14.712 -14.712 0.000 (0) - Fe(HSeO3)+2 1.529e-19 7.069e-20 -18.816 -19.151 -0.335 (0) - Hg(SeO3)2-2 2.249e-25 1.040e-25 -24.648 -24.983 -0.335 (0) -Se(6) 5.373e-18 - SeO4-2 3.824e-18 1.767e-18 -17.418 -17.753 -0.335 (0) - Co(SeO4) 3.996e-19 3.996e-19 -18.398 -18.398 0.000 (0) - Ni(SeO4) 3.385e-19 3.385e-19 -18.470 -18.470 0.000 (0) - Mn(SeO4) 1.756e-19 1.756e-19 -18.755 -18.755 0.000 (0) - Fe(SeO4) 1.511e-19 1.511e-19 -18.821 -18.821 0.000 (0) - Cd(SeO4) 1.366e-19 1.366e-19 -18.865 -18.865 0.000 (0) - Mg(SeO4) 1.272e-19 1.272e-19 -18.895 -18.895 0.000 (0) - Zn(SeO4) 1.182e-19 1.182e-19 -18.928 -18.928 0.000 (0) - Ca(SeO4) 7.773e-20 7.773e-20 -19.109 -19.109 0.000 (0) - Cu(SeO4) 2.428e-20 2.428e-20 -19.615 -19.615 0.000 (0) - UO2(SeO4) 1.382e-23 1.382e-23 -22.859 -22.859 0.000 (0) - H(SeO4)- 1.205e-23 9.939e-24 -22.919 -23.003 -0.084 (0) - UO2(SeO4)2-2 1.210e-40 0.000e+00 -39.917 -40.252 -0.335 (0) + Sb(OH)6- 9.999e-04 8.221e-04 -3.000 -3.085 -0.085 (0) + Sb(OH)5 4.317e-08 4.317e-08 -7.365 -7.365 0.000 (0) + Sb(OH)4+ 2.888e-18 2.374e-18 -17.539 -17.625 -0.085 (0) + Sb12(OH)67-7 7.214e-30 4.902e-34 -29.142 -33.310 -4.168 (0) + Sb12(OH)66-6 3.739e-32 3.241e-35 -31.427 -34.489 -3.062 (0) + Sb12(OH)65-5 2.933e-35 2.192e-37 -34.533 -36.659 -2.126 (0) + Sb12(OH)64-4 2.100e-39 0.000e+00 -38.678 -40.039 -1.361 (0) +Se(-2) 4.599e-25 + HSe- 4.596e-25 3.779e-25 -24.338 -24.423 -0.085 (0) + H2Se 2.675e-28 2.675e-28 -27.573 -27.573 0.000 (0) + Se3-2 2.053e-31 9.377e-32 -30.688 -31.028 -0.340 (0) + Se2-2 9.884e-32 4.515e-32 -31.005 -31.345 -0.340 (0) + Se4-2 1.071e-32 4.891e-33 -31.970 -32.311 -0.340 (0) + Se-2 1.018e-32 4.649e-33 -31.992 -32.333 -0.340 (0) +Se(4) 1.000e-03 + Pb(SeO3) 6.650e-04 6.650e-04 -3.177 -3.177 0.000 (0) + H(SeO3)- 3.101e-04 2.550e-04 -3.508 -3.593 -0.085 (0) + SeO3-2 2.437e-05 1.113e-05 -4.613 -4.953 -0.340 (0) + Ag(SeO3)- 4.065e-07 3.342e-07 -6.391 -6.476 -0.085 (0) + Fe(SeO3)+ 4.499e-08 3.698e-08 -7.347 -7.432 -0.085 (0) + H2(SeO3) 1.113e-08 1.113e-08 -7.953 -7.953 0.000 (0) + UO2HSeO3+ 7.237e-09 5.950e-09 -8.140 -8.225 -0.085 (0) + UO2(HSeO3)2 2.636e-10 2.636e-10 -9.579 -9.579 0.000 (0) + Fe(HSeO3)+2 1.283e-13 5.862e-14 -12.892 -13.232 -0.340 (0) +Se(6) 3.026e-11 + SeO4-2 2.221e-11 1.014e-11 -10.653 -10.994 -0.340 (0) + Co(SeO4) 2.267e-12 2.267e-12 -11.644 -11.644 0.000 (0) + Ni(SeO4) 1.923e-12 1.923e-12 -11.716 -11.716 0.000 (0) + Mn(SeO4) 1.011e-12 1.011e-12 -11.995 -11.995 0.000 (0) + Cd(SeO4) 7.819e-13 7.819e-13 -12.107 -12.107 0.000 (0) + Mg(SeO4) 7.220e-13 7.220e-13 -12.141 -12.141 0.000 (0) + Zn(SeO4) 6.701e-13 6.701e-13 -12.174 -12.174 0.000 (0) + Ca(SeO4) 4.413e-13 4.413e-13 -12.355 -12.355 0.000 (0) + Fe(SeO4) 1.373e-13 1.373e-13 -12.862 -12.862 0.000 (0) + Cu(SeO4) 9.702e-14 9.702e-14 -13.013 -13.013 0.000 (0) + UO2(SeO4) 1.082e-16 1.082e-16 -15.966 -15.966 0.000 (0) + H(SeO4)- 6.939e-17 5.705e-17 -16.159 -16.244 -0.085 (0) + UO2(SeO4)2-2 3.025e-26 1.382e-26 -25.519 -25.860 -0.340 (0) Si 1.000e-03 - AmOSi(OH)3+2 2.811e-04 1.300e-04 -3.551 -3.886 -0.335 (0) - CmSiO(OH)3+2 2.755e-04 1.274e-04 -3.560 -3.895 -0.335 (0) - SmSiO(OH)3+2 1.545e-04 7.143e-05 -3.811 -4.146 -0.335 (0) - EuSiO(OH)3+2 1.427e-04 6.598e-05 -3.846 -4.181 -0.335 (0) - HoSiO(OH)3+2 1.102e-04 5.097e-05 -3.958 -4.293 -0.335 (0) - H4(SiO4) 3.581e-05 3.581e-05 -4.446 -4.446 0.000 (0) - UO2SiO(OH)3+ 8.931e-08 7.364e-08 -7.049 -7.133 -0.084 (0) - H3(SiO4)- 6.278e-08 5.176e-08 -7.202 -7.286 -0.084 (0) - AlH3SiO4+2 9.599e-09 4.438e-09 -8.018 -8.353 -0.335 (0) - Mg(H3SiO4)+ 5.187e-10 4.277e-10 -9.285 -9.369 -0.084 (0) - Fe(H3SiO4)+2 2.889e-10 1.336e-10 -9.539 -9.874 -0.335 (0) - Ca(H3SiO4)+ 2.825e-10 2.329e-10 -9.549 -9.633 -0.084 (0) - Si2O2(OH)5- 4.921e-11 4.057e-11 -10.308 -10.392 -0.084 (0) - H2(SiO4)-2 5.611e-14 2.594e-14 -13.251 -13.586 -0.335 (0) - Si2O3(OH)4-2 1.105e-14 5.107e-15 -13.957 -14.292 -0.335 (0) - Si4O6(OH)6-2 8.952e-20 4.139e-20 -19.048 -19.383 -0.335 (0) - PuO2(OSi(OH)3)+ 1.419e-21 1.170e-21 -20.848 -20.932 -0.084 (0) - Si3O6(OH)3-3 1.308e-21 2.305e-22 -20.883 -21.637 -0.754 (0) - Si3O5(OH)5-3 1.039e-21 1.830e-22 -20.984 -21.738 -0.754 (0) - Si4O7(OH)6-4 2.862e-28 1.308e-29 -27.543 -28.883 -1.340 (0) - Si4O8(OH)4-4 2.277e-28 1.040e-29 -27.643 -28.983 -1.340 (0) - Si6O15-6 0.000e+00 0.000e+00 -43.459 -46.474 -3.015 (0) + AmSiO(OH)3+2 2.625e-04 1.199e-04 -3.581 -3.921 -0.340 (0) + CmSiO(OH)3+2 2.612e-04 1.193e-04 -3.583 -3.923 -0.340 (0) + SmSiO(OH)3+2 1.574e-04 7.192e-05 -3.803 -4.143 -0.340 (0) + EuSiO(OH)3+2 1.485e-04 6.786e-05 -3.828 -4.168 -0.340 (0) + HoSiO(OH)3+2 1.384e-04 6.320e-05 -3.859 -4.199 -0.340 (0) + H4(SiO4) 3.180e-05 3.180e-05 -4.498 -4.498 0.000 (0) + UO2SiO(OH)3+ 6.391e-08 5.254e-08 -7.194 -7.280 -0.085 (0) + H3(SiO4)- 5.593e-08 4.597e-08 -7.252 -7.338 -0.085 (0) + AlH3SiO4+2 8.794e-09 4.017e-09 -8.056 -8.396 -0.340 (0) + Mg(H3SiO4)+ 4.569e-10 3.757e-10 -9.340 -9.425 -0.085 (0) + Ca(H3SiO4)+ 2.489e-10 2.046e-10 -9.604 -9.689 -0.085 (0) + Si2O2(OH)5- 3.894e-11 3.201e-11 -10.410 -10.495 -0.085 (0) + Fe(H3SiO4)+2 3.752e-11 1.714e-11 -10.426 -10.766 -0.340 (0) + H2(SiO4)-2 5.045e-14 2.304e-14 -13.297 -13.638 -0.340 (0) + Si2O3(OH)4-2 8.824e-15 4.030e-15 -14.054 -14.395 -0.340 (0) + Si4O6(OH)6-2 5.641e-20 2.577e-20 -19.249 -19.589 -0.340 (0) + PuO2(OSi(OH)3)+ 1.262e-21 1.037e-21 -20.899 -20.984 -0.085 (0) + Si3O6(OH)3-3 9.421e-22 1.616e-22 -21.026 -21.792 -0.766 (0) + Si3O5(OH)5-3 7.478e-22 1.282e-22 -21.126 -21.892 -0.766 (0) + Si4O7(OH)6-4 1.870e-28 8.143e-30 -27.728 -29.089 -1.361 (0) + Si4O8(OH)4-4 1.487e-28 6.473e-30 -27.828 -29.189 -1.361 (0) + Si6O15-6 0.000e+00 0.000e+00 -43.720 -46.783 -3.062 (0) Sm 1.000e-03 - Sm+3 4.715e-04 8.316e-05 -3.326 -4.080 -0.754 (0) - Sm(PO4) 1.682e-04 1.682e-04 -3.774 -3.774 0.000 (0) - SmSiO(OH)3+2 1.545e-04 7.143e-05 -3.811 -4.146 -0.335 (0) - Sm(SO4)+ 6.635e-05 5.473e-05 -4.178 -4.262 -0.084 (0) - SmF+2 6.099e-05 2.821e-05 -4.215 -4.550 -0.335 (0) - Sm(CO3)+ 3.701e-05 3.053e-05 -4.432 -4.515 -0.084 (0) - Sm(OH)+2 2.263e-05 1.046e-05 -4.645 -4.980 -0.335 (0) - Sm(HPO4)+ 1.444e-05 1.191e-05 -4.840 -4.924 -0.084 (0) - Sm(OH)2+ 2.011e-06 1.657e-06 -5.697 -5.781 -0.084 (0) - SmCl+2 7.161e-07 3.312e-07 -6.145 -6.480 -0.335 (0) - Sm(SO4)2- 6.923e-07 5.708e-07 -6.160 -6.244 -0.084 (0) - Sm(PO4)2-3 3.059e-07 5.392e-08 -6.514 -7.268 -0.754 (0) - Sm(HCO3)+2 2.817e-07 1.302e-07 -6.550 -6.885 -0.335 (0) - SmBr+2 1.470e-07 6.795e-08 -6.833 -7.168 -0.335 (0) - SmF2+ 1.188e-07 9.793e-08 -6.925 -7.009 -0.084 (0) - Sm(HPO4)2- 3.277e-08 2.703e-08 -7.484 -7.568 -0.084 (0) - Sm(H2PO4)+2 2.348e-08 1.086e-08 -7.629 -7.964 -0.335 (0) - Sm(CO3)2- 2.155e-08 1.776e-08 -7.667 -7.751 -0.084 (0) - Sm(OH)3 5.236e-10 5.236e-10 -9.281 -9.281 0.000 (0) - Ca(Sm(OH)3)+2 3.957e-13 1.830e-13 -12.403 -12.738 -0.335 (0) - Sm(CO3)3-3 5.866e-14 1.033e-14 -13.232 -13.986 -0.754 (0) - Sm(OH)4- 2.007e-17 1.655e-17 -16.697 -16.781 -0.084 (0) - Ca2(Sm(OH)4)+3 5.743e-20 1.012e-20 -19.241 -19.995 -0.754 (0) - Sm(NO3)+2 1.788e-24 8.270e-25 -23.748 -24.082 -0.335 (0) - Ca3(Sm(OH)6)+3 7.977e-33 1.406e-33 -32.098 -32.852 -0.754 (0) -Sn(2) 1.082e-27 - Sn(OH)2 5.591e-28 5.591e-28 -27.252 -27.252 0.000 (0) - SnPO4- 5.221e-28 4.305e-28 -27.282 -27.366 -0.084 (0) - Sn(OH)+ 9.584e-31 7.903e-31 -30.018 -30.102 -0.084 (0) - SnHPO4 3.048e-31 3.048e-31 -30.516 -30.516 0.000 (0) - Sn(OH)Cl 1.614e-33 1.614e-33 -32.792 -32.792 0.000 (0) - SnF+ 1.209e-33 9.967e-34 -32.918 -33.001 -0.084 (0) - Sn+2 5.794e-34 2.680e-34 -33.237 -33.572 -0.335 (0) - Sn(SO4) 1.501e-34 1.501e-34 -33.824 -33.824 0.000 (0) - SnF2 9.100e-35 9.100e-35 -34.041 -34.041 0.000 (0) - SnCl+ 8.166e-36 6.734e-36 -35.088 -35.172 -0.084 (0) - SnBr+ 3.343e-36 2.756e-36 -35.476 -35.560 -0.084 (0) - SnF3- 9.404e-37 7.754e-37 -36.027 -36.110 -0.084 (0) - SnI+ 9.226e-38 7.608e-38 -37.035 -37.119 -0.084 (0) - SnCl2 2.283e-38 2.283e-38 -37.642 -37.642 0.000 (0) - SnBr2 5.789e-39 5.789e-39 -38.237 -38.237 0.000 (0) - SnCl3- 0.000e+00 0.000e+00 -40.718 -40.801 -0.084 (0) - SnI2 0.000e+00 0.000e+00 -41.455 -41.455 0.000 (0) - SnBr3- 0.000e+00 0.000e+00 -41.511 -41.595 -0.084 (0) - SnCl4-2 0.000e+00 0.000e+00 -43.686 -44.021 -0.335 (0) - Sn(OH)3- 0.000e+00 0.000e+00 -73.679 -73.763 -0.084 (0) - Sn3(OH)4+2 0.000e+00 0.000e+00 -77.982 -78.317 -0.335 (0) + Sm+3 5.492e-04 9.427e-05 -3.260 -4.026 -0.765 (0) + SmSiO(OH)3+2 1.574e-04 7.192e-05 -3.803 -4.143 -0.340 (0) + Sm(CO3)+ 8.141e-05 6.695e-05 -4.089 -4.174 -0.085 (0) + Sm(SO4)+ 7.333e-05 6.031e-05 -4.135 -4.220 -0.085 (0) + SmF+2 6.641e-05 3.035e-05 -4.178 -4.518 -0.340 (0) + Sm(PO4) 3.813e-05 3.813e-05 -4.419 -4.419 0.000 (0) + Sm(OH)+2 2.596e-05 1.186e-05 -4.586 -4.926 -0.340 (0) + Sm(HPO4)+ 3.283e-06 2.699e-06 -5.484 -5.569 -0.085 (0) + Sm(OH)2+ 2.286e-06 1.879e-06 -5.641 -5.726 -0.085 (0) + SmCl+2 8.148e-07 3.724e-07 -6.089 -6.429 -0.340 (0) + Sm(SO4)2- 7.438e-07 6.114e-07 -6.129 -6.214 -0.085 (0) + Sm(HCO3)+2 6.251e-07 2.856e-07 -6.204 -6.544 -0.340 (0) + SmBr+2 1.695e-07 7.743e-08 -6.771 -7.111 -0.340 (0) + SmF2+ 1.216e-07 9.999e-08 -6.915 -7.000 -0.085 (0) + Sm(CO3)2- 9.168e-08 7.535e-08 -7.038 -7.123 -0.085 (0) + Sm(PO4)2-3 1.425e-08 2.444e-09 -7.846 -8.612 -0.766 (0) + Sm(H2PO4)+2 5.387e-09 2.462e-09 -8.269 -8.609 -0.340 (0) + Sm(HPO4)2- 1.490e-09 1.225e-09 -8.827 -8.912 -0.085 (0) + Sm(OH)3 5.937e-10 5.937e-10 -9.226 -9.226 0.000 (0) + Sm(CO3)3-3 4.945e-13 8.480e-14 -12.306 -13.072 -0.766 (0) + Ca(Sm(OH)3)+2 4.490e-13 2.051e-13 -12.348 -12.688 -0.340 (0) + Sm(OH)4- 2.282e-17 1.876e-17 -16.642 -16.727 -0.085 (0) + Ca2(Sm(OH)4)+3 6.543e-20 1.123e-20 -19.184 -19.950 -0.766 (0) + Sm(NO3)+2 3.003e-24 1.372e-24 -23.523 -23.863 -0.340 (0) + Ca3(Sm(OH)6)+3 8.989e-33 1.542e-33 -32.046 -32.812 -0.766 (0) +Sn(2) 6.769e-28 + Sn(OH)2 5.591e-28 5.591e-28 -27.253 -27.253 0.000 (0) + SnPO4- 1.047e-28 8.608e-29 -27.980 -28.065 -0.085 (0) + Sn(OH)3- 1.208e-29 9.936e-30 -28.918 -29.003 -0.085 (0) + Sn(OH)+ 9.612e-31 7.902e-31 -30.017 -30.102 -0.085 (0) + SnHPO4 6.094e-32 6.094e-32 -31.215 -31.215 0.000 (0) + Sn(OH)Cl 1.601e-33 1.601e-33 -32.796 -32.796 0.000 (0) + SnF+ 1.150e-33 9.459e-34 -32.939 -33.024 -0.085 (0) + Sn+2 5.863e-34 2.679e-34 -33.232 -33.572 -0.340 (0) + Sn(SO4) 1.459e-34 1.459e-34 -33.836 -33.836 0.000 (0) + SnF2 8.196e-35 8.196e-35 -34.086 -34.086 0.000 (0) + SnCl+ 8.123e-36 6.678e-36 -35.090 -35.175 -0.085 (0) + SnBr+ 3.370e-36 2.770e-36 -35.472 -35.557 -0.085 (0) + SnF3- 8.062e-37 6.628e-37 -36.094 -36.179 -0.085 (0) + SnI+ 9.277e-38 7.627e-38 -37.033 -37.118 -0.085 (0) + SnCl2 2.245e-38 2.245e-38 -37.649 -37.649 0.000 (0) + SnBr2 5.848e-39 5.848e-39 -38.233 -38.233 0.000 (0) + SnCl3- 0.000e+00 0.000e+00 -40.727 -40.812 -0.085 (0) + SnI2 0.000e+00 0.000e+00 -41.453 -41.453 0.000 (0) + SnBr3- 0.000e+00 0.000e+00 -41.504 -41.588 -0.085 (0) + SnCl4-2 0.000e+00 0.000e+00 -43.695 -44.036 -0.340 (0) + Sn3(OH)4+2 0.000e+00 0.000e+00 -77.977 -78.317 -0.340 (0) Sn(4) 1.000e-03 - Sn(OH)4 9.704e-04 9.704e-04 -3.013 -3.013 0.000 (0) - Sn(OH)5- 2.954e-05 2.436e-05 -4.530 -4.613 -0.084 (0) - Sn(OH)6-2 4.482e-08 2.072e-08 -7.349 -7.684 -0.335 (0) - Sn+4 6.141e-38 2.806e-39 -37.212 -38.552 -1.340 (0) + Sn(OH)4 9.703e-04 9.703e-04 -3.013 -3.013 0.000 (0) + Sn(OH)5- 2.963e-05 2.436e-05 -4.528 -4.613 -0.085 (0) + Sn(OH)6-2 4.535e-08 2.072e-08 -7.343 -7.684 -0.340 (0) + Sn+4 6.441e-38 2.806e-39 -37.191 -38.552 -1.361 (0) Sr 1.000e-03 - Sr+2 9.803e-04 4.532e-04 -3.009 -3.344 -0.335 (0) - Sr(SO4) 1.882e-05 1.882e-05 -4.725 -4.725 0.000 (0) - SrCl+ 7.084e-07 5.842e-07 -6.150 -6.233 -0.084 (0) - Sr(HCO3)+ 1.035e-07 8.533e-08 -6.985 -7.069 -0.084 (0) - Sr(HPO4) 5.275e-08 5.275e-08 -7.278 -7.278 0.000 (0) - SrF+ 2.294e-08 1.892e-08 -7.639 -7.723 -0.084 (0) - SrB(OH)4+ 1.019e-08 8.406e-09 -7.992 -8.075 -0.084 (0) - SrI+ 3.920e-09 3.233e-09 -8.407 -8.490 -0.084 (0) - Sr(H2PO4)+ 2.168e-09 1.788e-09 -8.664 -8.748 -0.084 (0) - Sr(CO3) 1.703e-09 1.703e-09 -8.769 -8.769 0.000 (0) - Sr(PO4)- 8.831e-10 7.282e-10 -9.054 -9.138 -0.084 (0) - Sr(NH3)+2 3.465e-10 1.602e-10 -9.460 -9.795 -0.335 (0) - Sr(OH)+ 2.817e-10 2.323e-10 -9.550 -9.634 -0.084 (0) - SrF2 2.076e-11 2.076e-11 -10.683 -10.683 0.000 (0) - SrI2 1.103e-14 1.103e-14 -13.957 -13.957 0.000 (0) - Sr(NO3)+ 2.739e-24 2.259e-24 -23.562 -23.646 -0.084 (0) - Sr(NO3)2 0.000e+00 0.000e+00 -44.838 -44.838 0.000 (0) - Sr(IO3)+ 0.000e+00 0.000e+00 -53.777 -53.861 -0.084 (0) - Sr(S2O3) 0.000e+00 0.000e+00 -72.106 -72.106 0.000 (0) - Sr(IO3)2 0.000e+00 0.000e+00 -105.589 -105.589 0.000 (0) -Tc(4) 2.223e-14 - TcO(OH)2 2.220e-14 2.220e-14 -13.654 -13.654 0.000 (0) - Tc(OH)2CO3 2.352e-17 2.352e-17 -16.629 -16.629 0.000 (0) - (TcO)(OH)3- 4.264e-18 3.516e-18 -17.370 -17.454 -0.084 (0) - TcO(OH)+ 1.661e-18 1.370e-18 -17.780 -17.863 -0.084 (0) - Tc(OH)3CO3- 1.429e-18 1.178e-18 -17.845 -17.929 -0.084 (0) - TcO+2 1.828e-25 8.452e-26 -24.738 -25.073 -0.335 (0) -Tc(6) 2.826e-18 - TcO4-2 2.826e-18 1.307e-18 -17.549 -17.884 -0.335 (0) + Sr+2 9.810e-04 4.481e-04 -3.008 -3.349 -0.340 (0) + Sr(SO4) 1.809e-05 1.809e-05 -4.743 -4.743 0.000 (0) + SrCl+ 6.967e-07 5.728e-07 -6.157 -6.242 -0.085 (0) + Sr(HCO3)+ 1.985e-07 1.632e-07 -6.702 -6.787 -0.085 (0) + SrF+ 2.159e-08 1.775e-08 -7.666 -7.751 -0.085 (0) + SrB(OH)4+ 1.357e-08 1.115e-08 -7.867 -7.953 -0.085 (0) + Sr(HPO4) 1.043e-08 1.043e-08 -7.982 -7.982 0.000 (0) + SrI+ 3.898e-09 3.204e-09 -8.409 -8.494 -0.085 (0) + Sr(CO3) 3.257e-09 3.257e-09 -8.487 -8.487 0.000 (0) + Sr2UO2(CO3)3 1.798e-09 1.798e-09 -8.745 -8.745 0.000 (0) + SrUO2(CO3)3-2 1.392e-09 6.359e-10 -8.856 -9.197 -0.340 (0) + Sr(H2PO4)+ 4.299e-10 3.534e-10 -9.367 -9.452 -0.085 (0) + Sr(NH3)+2 4.032e-10 1.842e-10 -9.394 -9.735 -0.340 (0) + Sr(OH)+ 2.794e-10 2.297e-10 -9.554 -9.639 -0.085 (0) + Sr(PO4)- 1.751e-10 1.440e-10 -9.757 -9.842 -0.085 (0) + SrF2 1.849e-11 1.849e-11 -10.733 -10.733 0.000 (0) + SrI2 1.097e-14 1.097e-14 -13.960 -13.960 0.000 (0) + Sr(NO3)+ 3.977e-24 3.269e-24 -23.400 -23.486 -0.085 (0) + Sr(NO3)2 0.000e+00 0.000e+00 -44.512 -44.512 0.000 (0) + Sr(IO3)+ 0.000e+00 0.000e+00 -53.780 -53.865 -0.085 (0) + Sr(S2O3) 0.000e+00 0.000e+00 -72.125 -72.125 0.000 (0) + Sr(IO3)2 0.000e+00 0.000e+00 -105.592 -105.592 0.000 (0) +Tc(4) 1.220e-13 + TcO(OH)2 1.217e-13 1.217e-13 -12.915 -12.915 0.000 (0) + TcCO3(OH)2 2.437e-16 2.437e-16 -15.613 -15.613 0.000 (0) + TcO(OH)3- 1.779e-17 1.462e-17 -16.750 -16.835 -0.085 (0) + TcCO3(OH)3- 1.485e-17 1.221e-17 -16.828 -16.913 -0.085 (0) + Tc2O2(OH)2+2 3.174e-27 1.449e-27 -26.498 -26.839 -0.341 (0) +Tc(6) 2.852e-18 + TcO4-2 2.852e-18 1.303e-18 -17.545 -17.885 -0.340 (0) Tc(7) 1.000e-03 - TcO4- 1.000e-03 8.246e-04 -3.000 -3.084 -0.084 (0) + TcO4- 1.000e-03 8.221e-04 -3.000 -3.085 -0.085 (0) Th 1.000e-03 - Th4(OH)12+4 2.465e-04 1.127e-05 -3.608 -4.948 -1.340 (0) - Th(OH)4 1.030e-05 1.030e-05 -4.987 -4.987 0.000 (0) - Th(OH)3+ 3.138e-06 2.588e-06 -5.503 -5.587 -0.084 (0) - Th(OH)3(CO3)- 3.644e-07 3.005e-07 -6.438 -6.522 -0.084 (0) - Th(OH)2(CO3) 4.765e-08 4.765e-08 -7.322 -7.322 0.000 (0) - Th(OH)2+2 3.533e-08 1.634e-08 -7.452 -7.787 -0.335 (0) - ThF4 1.887e-09 1.887e-09 -8.724 -8.724 0.000 (0) - ThF3+ 1.346e-09 1.110e-09 -8.871 -8.955 -0.084 (0) - Th(OH)2(CO3)2-2 1.197e-09 5.532e-10 -8.922 -9.257 -0.335 (0) - ThF2+2 1.047e-09 4.840e-10 -8.980 -9.315 -0.335 (0) - Th(OH)+3 4.647e-11 8.195e-12 -10.333 -11.086 -0.754 (0) - ThF+3 2.281e-11 4.021e-12 -10.642 -11.396 -0.754 (0) - Th(OH)4(CO3)-2 8.178e-12 3.780e-12 -11.087 -11.422 -0.335 (0) - Th(SO4)+2 1.726e-13 7.982e-14 -12.763 -13.098 -0.335 (0) - Th(SO4)2 5.501e-14 5.501e-14 -13.260 -13.260 0.000 (0) - Th+4 5.666e-15 2.593e-16 -14.247 -15.586 -1.339 (0) - Th2(OH)3+5 1.320e-15 1.064e-17 -14.880 -16.973 -2.094 (0) - Th(H2PO4)+3 3.339e-16 5.885e-17 -15.476 -16.230 -0.754 (0) - Th(SO4)3-2 2.843e-16 1.314e-16 -15.546 -15.881 -0.335 (0) - ThCl+3 5.588e-17 9.864e-18 -16.253 -17.006 -0.753 (0) - Th(H2PO4)2+2 5.764e-18 2.665e-18 -17.239 -17.574 -0.335 (0) - Th(OH)(CO3)4-5 1.468e-18 1.182e-20 -17.833 -19.927 -2.094 (0) - Th6(OH)15+9 2.901e-19 4.775e-26 -18.537 -25.321 -6.784 (0) - Th2(OH)2+6 8.749e-21 8.455e-24 -20.058 -23.073 -3.015 (0) - Th4(OH)8+8 4.100e-22 1.790e-27 -21.387 -26.747 -5.360 (0) - Th(CO3)5-6 1.792e-23 1.729e-26 -22.747 -25.762 -3.016 (0) - Th(H3PO4)+4 3.547e-24 1.621e-25 -23.450 -24.790 -1.340 (0) - Th6(OH)14+10 1.132e-24 4.776e-33 -23.946 -32.321 -8.375 (0) - Th(H3PO4)(H2PO4)+3 2.509e-25 4.423e-26 -24.601 -25.354 -0.754 (0) - Th(NO3)+3 3.675e-35 6.478e-36 -34.435 -35.189 -0.754 (0) - Ca4Th(OH)8+4 1.678e-35 7.667e-37 -34.775 -36.115 -1.340 (0) - Th(NO3)2+2 0.000e+00 0.000e+00 -54.756 -55.091 -0.335 (0) + Th4(OH)12+4 2.465e-04 1.074e-05 -3.608 -4.969 -1.361 (0) + Th(OH)4 1.017e-05 1.017e-05 -4.993 -4.993 0.000 (0) + Th(OH)3+ 3.110e-06 2.557e-06 -5.507 -5.592 -0.085 (0) + Th(OH)3(CO3)- 6.986e-07 5.743e-07 -6.156 -6.241 -0.085 (0) + Th(OH)2(CO3) 9.107e-08 9.107e-08 -7.041 -7.041 0.000 (0) + Th(OH)2+2 3.533e-08 1.615e-08 -7.452 -7.792 -0.340 (0) + Th(OH)2(CO3)2-2 4.478e-09 2.045e-09 -8.349 -8.689 -0.340 (0) + ThF4 1.513e-09 1.513e-09 -8.820 -8.820 0.000 (0) + ThF3+ 1.140e-09 9.375e-10 -8.943 -9.028 -0.085 (0) + ThF2+2 9.428e-10 4.307e-10 -9.026 -9.366 -0.340 (0) + Th(OH)+3 4.717e-11 8.097e-12 -10.326 -11.092 -0.765 (0) + ThF+3 2.197e-11 3.770e-12 -10.658 -11.424 -0.766 (0) + Th(OH)4(CO3)-2 1.582e-11 7.225e-12 -10.801 -11.141 -0.340 (0) + Th(SO4)+2 1.678e-13 7.666e-14 -12.775 -13.115 -0.340 (0) + Th(SO4)2 5.135e-14 5.135e-14 -13.289 -13.289 0.000 (0) + Th+4 5.879e-15 2.562e-16 -14.231 -15.591 -1.361 (0) + Th2(OH)3+5 1.389e-15 1.038e-17 -14.857 -16.984 -2.126 (0) + Th(SO4)3-2 2.611e-16 1.193e-16 -15.583 -15.923 -0.340 (0) + Th(H2PO4)+3 6.777e-17 1.163e-17 -16.169 -16.935 -0.766 (0) + ThCl+3 5.626e-17 9.665e-18 -16.250 -17.015 -0.765 (0) + Th(OH)(CO3)4-5 2.190e-17 1.636e-19 -16.660 -18.786 -2.127 (0) + Th6(OH)15+9 3.440e-19 4.441e-26 -18.463 -25.353 -6.889 (0) + Th(H2PO4)2+2 2.305e-19 1.053e-19 -18.637 -18.978 -0.340 (0) + Th2(OH)2+6 9.514e-21 8.254e-24 -20.022 -23.083 -3.062 (0) + Th(CO3)5-6 5.342e-22 4.627e-25 -21.272 -24.335 -3.062 (0) + Th4(OH)8+8 4.735e-22 1.707e-27 -21.325 -26.768 -5.443 (0) + Th6(OH)14+10 1.422e-24 4.443e-33 -23.847 -32.352 -8.505 (0) + Th(H3PO4)+4 7.352e-25 3.203e-26 -24.134 -25.495 -1.361 (0) + Th(H3PO4)(H2PO4)+3 1.018e-26 1.747e-27 -25.992 -26.758 -0.766 (0) + Th(NO3)+3 5.460e-35 9.368e-36 -34.263 -35.028 -0.766 (0) + Ca4Th(OH)8+4 1.665e-35 7.250e-37 -34.779 -36.140 -1.361 (0) + Th(NO3)2+2 0.000e+00 0.000e+00 -54.425 -54.765 -0.340 (0) U(3) 0.000e+00 - U+3 0.000e+00 0.000e+00 -47.403 -48.157 -0.754 (0) -U(4) 1.595e-17 - U(OH)4 1.558e-17 1.558e-17 -16.808 -16.808 0.000 (0) - U(OH)3+ 3.771e-19 3.110e-19 -18.424 -18.507 -0.084 (0) - U(OH)2+2 2.679e-22 1.239e-22 -21.572 -21.907 -0.335 (0) - UF3+ 1.345e-27 1.109e-27 -26.871 -26.955 -0.084 (0) - UF4 6.540e-28 6.540e-28 -27.184 -27.184 0.000 (0) - UF2+2 5.364e-28 2.481e-28 -27.271 -27.605 -0.335 (0) - U(OH)+3 2.552e-28 4.501e-29 -27.593 -28.347 -0.754 (0) - UF+3 4.873e-30 8.592e-31 -29.312 -30.066 -0.754 (0) - UF5- 4.073e-31 3.358e-31 -30.390 -30.474 -0.084 (0) - U(CO3)4-4 5.164e-32 2.359e-33 -31.287 -32.627 -1.340 (0) - U(SO4)+2 2.672e-32 1.236e-32 -31.573 -31.908 -0.335 (0) - U(SO4)2 2.189e-32 2.189e-32 -31.660 -31.660 0.000 (0) - UF6-2 1.785e-33 8.252e-34 -32.748 -33.083 -0.335 (0) - U+4 3.415e-34 1.562e-35 -33.467 -34.806 -1.340 (0) - UCl+3 3.528e-36 6.221e-37 -35.452 -36.206 -0.754 (0) - UBr+3 1.229e-36 2.167e-37 -35.910 -36.664 -0.754 (0) - UI+3 8.141e-39 1.435e-39 -38.089 -38.843 -0.754 (0) - U(CO3)5-6 1.079e-39 0.000e+00 -38.967 -41.982 -3.016 (0) - U(NO3)+3 0.000e+00 0.000e+00 -53.485 -54.239 -0.754 (0) - U(NO3)2+2 0.000e+00 0.000e+00 -73.976 -74.311 -0.335 (0) -U(5) 5.209e-11 - UO2+ 5.209e-11 4.297e-11 -10.283 -10.367 -0.084 (0) - UO2(CO3)3-5 9.377e-27 7.543e-29 -26.028 -28.122 -2.095 (0) + U+3 0.000e+00 0.000e+00 -47.446 -48.211 -0.765 (0) +U(4) 1.383e-17 + U(OH)4 1.372e-17 1.372e-17 -16.863 -16.863 0.000 (0) + U(OH)3+ 1.054e-19 8.664e-20 -18.977 -19.062 -0.085 (0) + U(OH)2(CO3)2-2 8.728e-23 3.987e-23 -22.059 -22.399 -0.340 (0) + U(OH)2+2 3.786e-23 1.730e-23 -22.422 -22.762 -0.340 (0) + UF3+ 1.016e-27 8.354e-28 -26.993 -27.078 -0.085 (0) + UF4 4.674e-28 4.674e-28 -27.330 -27.330 0.000 (0) + UF2+2 4.308e-28 1.968e-28 -27.366 -27.706 -0.340 (0) + U(OH)+3 2.310e-28 3.965e-29 -27.636 -28.402 -0.765 (0) + UF+3 4.186e-30 7.184e-31 -29.378 -30.144 -0.765 (0) + U(CO3)4-4 6.682e-31 2.910e-32 -30.175 -31.536 -1.361 (0) + UF5- 2.770e-31 2.278e-31 -30.557 -30.643 -0.085 (0) + U(SO4)+2 2.315e-32 1.058e-32 -31.635 -31.975 -0.340 (0) + U(SO4)2 1.822e-32 1.822e-32 -31.740 -31.740 0.000 (0) + UF6-2 1.163e-33 5.312e-34 -32.934 -33.275 -0.340 (0) + U+4 3.156e-34 1.376e-35 -33.501 -34.861 -1.361 (0) + UCl+3 3.167e-36 5.434e-37 -35.499 -36.265 -0.765 (0) + UBr+3 1.118e-36 1.919e-37 -35.951 -36.717 -0.766 (0) + U(CO3)5-6 2.868e-38 0.000e+00 -37.542 -40.605 -3.062 (0) + UI+3 7.386e-39 1.267e-39 -38.132 -38.897 -0.766 (0) + U(NO3)+3 0.000e+00 0.000e+00 -53.363 -54.128 -0.766 (0) + U(NO3)2+2 0.000e+00 0.000e+00 -73.695 -74.035 -0.340 (0) +U(5) 4.601e-11 + UO2+ 4.601e-11 3.784e-11 -10.337 -10.422 -0.085 (0) + UO2(CO3)3-5 6.443e-26 4.808e-28 -25.191 -27.318 -2.127 (0) U(6) 1.000e-03 - (UO2)2(CO3)(OH)3- 1.968e-04 1.623e-04 -3.706 -3.790 -0.084 (0) - (UO2)3(OH)5+ 9.798e-05 8.093e-05 -4.009 -4.092 -0.083 (0) - (UO2)4(OH)7+ 6.230e-05 5.137e-05 -4.205 -4.289 -0.084 (0) - UO2(HAsO4) 5.854e-05 5.854e-05 -4.233 -4.233 0.000 (0) - UO2(OH)2 1.006e-06 1.006e-06 -5.997 -5.997 0.000 (0) - UO2(OH)+ 9.697e-07 7.996e-07 -6.013 -6.097 -0.084 (0) - UO2(CO3) 7.211e-07 7.211e-07 -6.142 -6.142 0.000 (0) - UO2(PO4)- 4.708e-07 3.882e-07 -6.327 -6.411 -0.084 (0) - (UO2)3(OH)7- 2.195e-07 1.810e-07 -6.659 -6.742 -0.084 (0) - (UO2)2(OH)2+2 1.048e-07 4.851e-08 -6.980 -7.314 -0.334 (0) - UO2(OH)3- 9.687e-08 7.986e-08 -7.014 -7.098 -0.084 (0) - UO2SiO(OH)3+ 8.931e-08 7.364e-08 -7.049 -7.133 -0.084 (0) - UO2(HPO4) 8.894e-08 8.894e-08 -7.051 -7.051 0.000 (0) - (UO2)3(OH)4+2 7.816e-08 3.617e-08 -7.107 -7.442 -0.335 (0) - UO2F+ 5.217e-08 4.302e-08 -7.283 -7.366 -0.084 (0) - UO2(CO3)2-2 4.245e-08 1.962e-08 -7.372 -7.707 -0.335 (0) - UO2+2 3.075e-08 1.423e-08 -7.512 -7.847 -0.335 (0) - UO2(H2AsO4)+ 1.125e-08 9.277e-09 -7.949 -8.033 -0.084 (0) - UO2F2 4.209e-09 4.209e-09 -8.376 -8.376 0.000 (0) - UO2(SO4) 4.183e-09 4.183e-09 -8.379 -8.379 0.000 (0) - CaUO2(CO3)3-2 4.035e-09 1.865e-09 -8.394 -8.729 -0.335 (0) - Ca2UO2(CO3)3 2.717e-09 2.717e-09 -8.566 -8.566 0.000 (0) - UO2(CO3)3-4 4.243e-10 1.939e-11 -9.372 -10.712 -1.340 (0) - (UO2)3(CO3)(OH)3+ 9.273e-11 7.646e-11 -10.033 -10.117 -0.084 (0) - UO2(H2AsO4)2 2.464e-11 2.464e-11 -10.608 -10.608 0.000 (0) - (UO2)2(OH)+3 2.290e-11 4.037e-12 -10.640 -11.394 -0.754 (0) - UO2Cl+ 1.936e-11 1.597e-11 -10.713 -10.797 -0.084 (0) - UO2(SO4)2-2 1.840e-11 8.506e-12 -10.735 -11.070 -0.335 (0) - UO2(H2PO4)+ 1.832e-11 1.510e-11 -10.737 -10.821 -0.084 (0) - UO2Br+ 1.377e-11 1.136e-11 -10.861 -10.945 -0.084 (0) - UO2F3- 1.255e-11 1.034e-11 -10.901 -10.985 -0.084 (0) - UO2(OH)4-2 1.222e-12 5.650e-13 -11.913 -12.248 -0.335 (0) - UO2F4-2 4.078e-15 1.884e-15 -14.390 -14.725 -0.335 (0) - UO2(SO4)3-4 2.939e-15 1.343e-16 -14.532 -15.872 -1.340 (0) - (UO2)11(CO3)6(OH)12-2 1.085e-15 5.015e-16 -14.965 -15.300 -0.335 (0) - UO2Cl2 6.510e-16 6.510e-16 -15.186 -15.186 0.000 (0) - UO2(H2PO4)2 4.027e-16 4.027e-16 -15.395 -15.395 0.000 (0) - (UO2)3(CO3)6-6 1.156e-16 1.117e-19 -15.937 -18.952 -3.015 (0) - UO2(H3PO4)+2 1.426e-18 6.593e-19 -17.846 -18.181 -0.335 (0) - UO2(H2PO4)(H3PO4)+ 4.998e-22 4.121e-22 -21.301 -21.385 -0.084 (0) - UO2(SeO4) 1.382e-23 1.382e-23 -22.859 -22.859 0.000 (0) - (UO2)2(NpO2)(CO3)6-6 6.649e-28 6.421e-31 -27.177 -30.192 -3.015 (0) - PuO2(CO3)6(UO2)2-6 3.504e-29 3.383e-32 -28.455 -31.471 -3.015 (0) - UO2(NO3)+ 2.718e-29 2.243e-29 -28.566 -28.649 -0.084 (0) - UO2(SO3) 2.828e-31 2.828e-31 -30.548 -30.548 0.000 (0) - UO2(SeO4)2-2 1.210e-40 0.000e+00 -39.917 -40.252 -0.335 (0) - UO2IO3+ 0.000e+00 0.000e+00 -56.611 -56.694 -0.084 (0) - UO2(S2O3) 0.000e+00 0.000e+00 -75.849 -75.849 0.000 (0) - UO2BrO3+ 0.000e+00 0.000e+00 -90.621 -90.705 -0.084 (0) - UO2ClO3+ 0.000e+00 0.000e+00 -90.624 -90.707 -0.084 (0) - UO2(IO3)2 0.000e+00 0.000e+00 -105.962 -105.962 0.000 (0) + (UO2)2(CO3)(OH)3- 2.962e-04 2.435e-04 -3.528 -3.614 -0.085 (0) + (UO2)3(OH)5+ 6.713e-05 5.528e-05 -4.173 -4.257 -0.084 (0) + UO2(HAsO4) 5.156e-05 5.156e-05 -4.288 -4.288 0.000 (0) + (UO2)4(OH)7+ 3.759e-05 3.090e-05 -4.425 -4.510 -0.085 (0) + UO2(CO3) 1.228e-06 1.228e-06 -5.911 -5.911 0.000 (0) + UO2(OH)2 8.860e-07 8.860e-07 -6.053 -6.053 0.000 (0) + UO2(OH)+ 8.566e-07 7.042e-07 -6.067 -6.152 -0.085 (0) + UO2CO3F- 1.707e-07 1.403e-07 -6.768 -6.853 -0.085 (0) + (UO2)3(OH)7- 1.503e-07 1.236e-07 -6.823 -6.908 -0.085 (0) + UO2(CO3)2-2 1.416e-07 6.466e-08 -6.849 -7.189 -0.340 (0) + UO2(OH)3- 8.560e-08 7.033e-08 -7.068 -7.153 -0.085 (0) + (UO2)2(OH)2+2 8.223e-08 3.762e-08 -7.085 -7.425 -0.340 (0) + UO2SiO(OH)3+ 6.391e-08 5.254e-08 -7.194 -7.280 -0.085 (0) + (UO2)3(OH)4+2 5.403e-08 2.471e-08 -7.267 -7.607 -0.340 (0) + UO2F+ 4.373e-08 3.596e-08 -7.359 -7.444 -0.085 (0) + UO2+2 2.740e-08 1.253e-08 -7.562 -7.902 -0.340 (0) + Ca2UO2(CO3)3 2.133e-08 2.133e-08 -7.671 -7.671 0.000 (0) + CaUO2(CO3)3-2 1.701e-08 7.771e-09 -7.769 -8.110 -0.340 (0) + UO2(HPO4) 1.566e-08 1.566e-08 -7.805 -7.805 0.000 (0) + UO2(H2AsO4)+ 9.940e-09 8.172e-09 -8.003 -8.088 -0.085 (0) + UO2HSeO3+ 7.237e-09 5.950e-09 -8.140 -8.225 -0.085 (0) + UO2(SO4) 3.581e-09 3.581e-09 -8.446 -8.446 0.000 (0) + UO2F2 3.339e-09 3.339e-09 -8.476 -8.476 0.000 (0) + UO2(CO3)3-4 2.838e-09 1.236e-10 -8.547 -9.908 -1.361 (0) + MgUO2(CO3)3-2 2.783e-09 1.271e-09 -8.555 -8.896 -0.340 (0) + Ba2UO2(CO3)3 1.915e-09 1.915e-09 -8.718 -8.718 0.000 (0) + Sr2UO2(CO3)3 1.798e-09 1.798e-09 -8.745 -8.745 0.000 (0) + SrUO2(CO3)3-2 1.392e-09 6.359e-10 -8.856 -9.197 -0.340 (0) + BaUO2(CO3)3-2 6.797e-10 3.105e-10 -9.168 -9.508 -0.340 (0) + UO2(PO4)- 5.011e-10 4.120e-10 -9.300 -9.385 -0.085 (0) + UO2CO3F2-2 4.520e-10 2.065e-10 -9.345 -9.685 -0.340 (0) + UO2(HSeO3)2 2.636e-10 2.636e-10 -9.579 -9.579 0.000 (0) + (UO2)3(CO3)(OH)3+ 1.229e-10 1.010e-10 -9.910 -9.996 -0.085 (0) + UO2(H2AsO4)2 2.171e-11 2.171e-11 -10.663 -10.663 0.000 (0) + (UO2)2(OH)+3 1.825e-11 3.131e-12 -10.739 -11.504 -0.766 (0) + UO2Cl+ 1.696e-11 1.395e-11 -10.771 -10.855 -0.085 (0) + UO2(SO4)2-2 1.550e-11 7.078e-12 -10.810 -11.150 -0.340 (0) + UO2Br+ 1.223e-11 1.006e-11 -10.913 -10.998 -0.085 (0) + UO2F3- 9.474e-12 7.787e-12 -11.023 -11.109 -0.085 (0) + Mg2UO2(CO3)3 4.535e-12 4.535e-12 -11.343 -11.343 0.000 (0) + UO2(H2PO4)+ 3.235e-12 2.660e-12 -11.490 -11.575 -0.085 (0) + UO2(OH)4-2 1.089e-12 4.976e-13 -11.963 -12.303 -0.340 (0) + UO2CO3F3-3 1.542e-13 2.647e-14 -12.812 -13.577 -0.766 (0) + (UO2)11(CO3)6(OH)12-2 1.327e-14 6.061e-15 -13.877 -14.217 -0.340 (0) + (UO2)3(CO3)6-6 4.610e-15 3.999e-18 -14.336 -17.398 -3.062 (0) + UO2F4-2 2.949e-15 1.346e-15 -14.530 -14.871 -0.341 (0) + UO2(SO4)3-4 2.494e-15 1.086e-16 -14.603 -15.964 -1.361 (0) + UO2Cl2 5.639e-16 5.639e-16 -15.249 -15.249 0.000 (0) + UO2(SeO4) 1.082e-16 1.082e-16 -15.966 -15.966 0.000 (0) + UO2(H2PO4)2 1.418e-17 1.418e-17 -16.848 -16.848 0.000 (0) + UO2(H3PO4)+2 2.542e-19 1.161e-19 -18.595 -18.935 -0.340 (0) + UO2(H2PO4)(H3PO4)+ 1.765e-23 1.451e-23 -22.753 -22.838 -0.085 (0) + UO2(SeO4)2-2 3.025e-26 1.382e-26 -25.519 -25.860 -0.340 (0) + (UO2)2(NpO2)(CO3)6-6 2.989e-26 2.592e-29 -25.524 -28.586 -3.062 (0) + PuO2(CO3)6(UO2)2-6 1.583e-27 1.372e-30 -26.801 -29.863 -3.062 (0) + UO2(NO3)+ 1.803e-29 1.483e-29 -28.744 -28.829 -0.085 (0) + UO2(SO3) 2.422e-31 2.422e-31 -30.616 -30.616 0.000 (0) + UO2IO3+ 0.000e+00 0.000e+00 -56.663 -56.749 -0.085 (0) + UO2(S2O3) 0.000e+00 0.000e+00 -75.919 -75.919 0.000 (0) + UO2(IO3)2 0.000e+00 0.000e+00 -106.015 -106.015 0.000 (0) Zn 1.000e-03 - Zn+2 1.000e-03 4.625e-04 -3.000 -3.335 -0.335 (0) - Zn(SeO4) 1.182e-19 1.182e-19 -18.928 -18.928 0.000 (0) + Zn+2 1.000e-03 4.570e-04 -3.000 -3.340 -0.340 (0) + Zn(SeO4) 6.701e-13 6.701e-13 -12.174 -12.174 0.000 (0) Zr 1.000e-03 Zr4(OH)16 2.479e-04 2.479e-04 -3.606 -3.606 0.000 (0) Zr(OH)4 6.473e-06 6.473e-06 -5.189 -5.189 0.000 (0) - Zr4(OH)15+ 4.660e-07 3.843e-07 -6.332 -6.415 -0.084 (0) - Zr(OH)2+2 2.073e-16 9.586e-17 -15.683 -16.018 -0.335 (0) - Zr(OH)6-2 2.166e-18 1.001e-18 -17.664 -17.999 -0.335 (0) - ZrF4 2.479e-20 2.479e-20 -19.606 -19.606 0.000 (0) - Zr(CO3)4-4 2.002e-20 9.149e-22 -19.698 -21.039 -1.340 (0) - ZrF5- 1.943e-20 1.602e-20 -19.711 -19.795 -0.084 (0) - ZrF3+ 5.853e-21 4.827e-21 -20.233 -20.316 -0.084 (0) - ZrF6-2 2.346e-21 1.084e-21 -20.630 -20.965 -0.335 (0) - ZrF2+2 3.375e-22 1.560e-22 -21.472 -21.807 -0.335 (0) - Zr(OH)+3 1.191e-23 2.099e-24 -22.924 -23.678 -0.754 (0) - ZrF+3 1.572e-25 2.771e-26 -24.803 -25.557 -0.754 (0) - Zr(SO4)2 1.510e-27 1.510e-27 -26.821 -26.821 0.000 (0) - ZrSO4+2 4.961e-28 2.294e-28 -27.304 -27.639 -0.335 (0) - Zr(SO4)3-2 3.910e-28 1.808e-28 -27.408 -27.743 -0.335 (0) - Zr+4 2.195e-30 1.005e-31 -29.658 -30.998 -1.339 (0) - ZrCl+3 1.684e-32 2.968e-33 -31.774 -32.528 -0.754 (0) - ZrCl2+2 1.852e-35 8.563e-36 -34.732 -35.067 -0.335 (0) - ZrNO3+3 0.000e+00 0.000e+00 -49.556 -50.310 -0.754 (0) - Zr3(OH)4+8 0.000e+00 0.000e+00 -59.234 -64.594 -5.360 (0) - Zr(NO3)2+2 0.000e+00 0.000e+00 -69.828 -70.163 -0.335 (0) + Zr4(OH)15+ 4.673e-07 3.842e-07 -6.330 -6.415 -0.085 (0) + Zr(OH)2+2 2.098e-16 9.586e-17 -15.678 -16.018 -0.340 (0) + Zr(OH)6-2 2.192e-18 1.001e-18 -17.659 -17.999 -0.340 (0) + Zr(CO3)4-4 2.941e-19 1.281e-20 -18.531 -19.892 -1.361 (0) + ZrF4 2.011e-20 2.011e-20 -19.697 -19.697 0.000 (0) + ZrF5- 1.501e-20 1.233e-20 -19.824 -19.909 -0.085 (0) + ZrF3+ 5.019e-21 4.126e-21 -20.299 -20.384 -0.085 (0) + ZrF6-2 1.735e-21 7.924e-22 -20.761 -21.101 -0.340 (0) + ZrF2+2 3.076e-22 1.405e-22 -21.512 -21.852 -0.340 (0) + Zr(OH)+3 1.223e-23 2.099e-24 -22.913 -23.678 -0.766 (0) + ZrF+3 1.533e-25 2.630e-26 -24.814 -25.580 -0.766 (0) + Zr(SO4)2 1.426e-27 1.426e-27 -26.846 -26.846 0.000 (0) + ZrSO4+2 4.880e-28 2.229e-28 -27.312 -27.652 -0.340 (0) + Zr(SO4)3-2 3.634e-28 1.660e-28 -27.440 -27.780 -0.340 (0) + Zr+4 2.303e-30 1.005e-31 -29.638 -30.998 -1.360 (0) + ZrCl+3 1.715e-32 2.943e-33 -31.766 -32.531 -0.766 (0) + ZrCl2+2 1.843e-35 8.422e-36 -34.734 -35.075 -0.340 (0) + ZrNO3+3 0.000e+00 0.000e+00 -49.379 -50.145 -0.766 (0) + Zr3(OH)4+8 0.000e+00 0.000e+00 -59.151 -64.595 -5.444 (0) + Zr(NO3)2+2 0.000e+00 0.000e+00 -69.491 -69.832 -0.340 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - (UO2)2(As2O7)(cr) -16.97 -45.98 -29.01 (UO2)2(As2O7) - (UO2)3(AsO4)2(cr) -12.43 -39.83 -27.40 (UO2)3(AsO4)2 - (UO2)3(PO4)2(cr) -10.81 -8.01 2.80 (UO2)3(PO4)2 - (UO2)3(PO4)2:4H2O(cr) 6.14 -8.01 -14.15 (UO2)3(PO4)2:4H2O - (UO2)3(PO4)2:6H2O(s) 2.19 -8.01 -10.20 (UO2)3(PO4)2:6H2O - Acanthite -31.36 -67.43 -36.07 Ag2S - Acmite 2.32 3.24 0.92 NaFeSi2O6 - Afwillite -26.38 23.04 49.42 Ca3Si2O4(OH)6 + (HgOH)3PO4(s) -10.41 -14.21 -3.80 (HgOH)3PO4 + (NH4)4NpO2(CO3)3(cr) -29.57 -93.87 -64.30 (NH4)4NpO2(CO3)3 + (PuO2)3(PO4)2:4H2O(am) -35.56 -45.41 -9.85 (PuO2)3(PO4)2:4H2O + (UO2)2(As2O7)(cr) -17.09 -46.10 -29.01 (UO2)2(As2O7) + (UO2)3(AsO4)2(cr) -12.60 -40.00 -27.40 (UO2)3(AsO4)2 + (UO2)3(PO4)2(cr) -12.37 -9.57 2.80 (UO2)3(PO4)2 + (UO2)3(PO4)2:4H2O(cr) 0.67 -9.57 -10.24 (UO2)3(PO4)2:4H2O + (UO2)3(PO4)2:6H2O(s) 0.63 -9.57 -10.20 (UO2)3(PO4)2:6H2O + Acanthite -31.38 -67.45 -36.07 Ag2S + Acmite 1.40 2.29 0.89 NaFeSi2O6 + Afwillite -26.50 22.92 49.42 Ca3Si2O4(OH)6 + Ag(cr) 4.79 -8.72 -13.51 Ag Ag(OH)(s) -4.02 2.28 6.30 Ag(OH) - Ag(s) 4.79 12.78 7.98 Ag - Ag2(CO3)(s) -6.63 -17.68 -11.05 Ag2(CO3) - Ag2(MoO4)(s) -1.32 -12.78 -11.46 Ag2(MoO4) - Ag2(SeO3)(s) -5.35 -21.15 -15.80 Ag2(SeO3) - Ag2(SeO4)(s) -19.33 -27.19 -7.86 Ag2(SeO4) - Ag2(SO4)(s) -8.11 -13.12 -5.01 Ag2(SO4) - Ag2Se(alfa) 9.23 -33.62 -42.85 Ag2Se - Ag3(PO4)(s) -8.40 -6.39 2.01 Ag3(PO4) + Ag2(CO3)(s) -6.34 -17.39 -11.05 Ag2(CO3) + Ag2(MoO4)(s) -1.33 -12.79 -11.46 Ag2(MoO4) + Ag2(SeO3)(s) 1.40 -14.40 -15.80 Ag2(SeO3) + Ag2(SeO4)(s) -12.58 -20.44 -7.86 Ag2(SeO4) + Ag2(SO4)(s) -8.13 -13.14 -5.01 Ag2(SO4) + Ag2Se(alfa) 15.98 -26.87 -42.85 Ag2Se + Ag3(PO4)(s) -9.11 -7.10 2.01 Ag3(PO4) AgBr(s) 4.25 -8.04 -12.29 AgBr - AgCl(cr) 1.91 -7.84 -9.75 AgCl + AgCl(cr) 1.90 -7.85 -9.75 AgCl AgI(s) 6.03 -10.01 -16.04 AgI - Al(PO4)(cr) 2.18 -0.76 -2.94 Al(PO4) - Al(PO4):2H2O(s) 1.75 -0.76 -2.51 Al(PO4):2H2O - Al(s) -105.96 43.96 149.92 Al - Al2(OH)(PO4)2(s) 25.36 -12.02 -37.38 Al2(OH)(PO4)2 - Alabandite -62.32 -61.42 0.90 MnS - Alamosite -0.09 6.08 6.17 PbSiO3 - Albite-high -1.09 3.05 4.14 NaAlSi3O8 - Albite-low 0.31 3.05 2.74 NaAlSi3O8 - Am(CO3)(OH)(am) 0.83 -5.37 -6.20 Am(CO3)(OH) - Am(CO3)(OH)(cr) 6.14 -5.37 -11.51 Am(CO3)(OH) - Am(CO3)(OH):0.5H2O(cr) 3.03 -5.37 -8.40 Am(CO3)(OH):0.5H2O - Am(CO3)2Na:5H2O(s) -2.69 -23.69 -21.00 Am(CO3)2Na:5H2O - Am(cr) -121.02 48.35 169.38 Am - Am(OH)3(am) -0.03 16.87 16.90 Am(OH)3 - Am(OH)3(cr) 1.27 16.87 15.60 Am(OH)3 - Am(PO4):xH2O(am) 8.87 3.64 -5.23 Am(PO4) - Am2(CO3)3(cr) 0.43 -32.97 -33.40 Am2(CO3)3 - Am2O3(cr) -19.41 33.74 53.15 Am2O3 - AmBr3(cr) -38.01 -14.08 23.93 AmBr3 - AmCl3(cr) -28.77 -13.49 15.28 AmCl3 - AmCl6Cs2Na(cr) -44.66 -32.10 12.56 AmCl6Cs2Na - Amesite 14.21 83.63 69.42 Mg4Al4Si2O10(OH)8 - Amesite-Fe 24.84 81.89 57.04 Fe4Al4Si2O10(OH)8 - AmF3(cr) -4.77 -18.17 -13.40 AmF3 - AmI3(cr) -45.29 -19.99 25.30 AmI3 - AmO2(cr) -6.34 6.37 12.71 AmO2 - AmO2OH(am) -24.80 -19.50 5.30 AmO2OH - AmOBr(cr) -9.43 6.55 15.98 AmOBr - AmOCl(cr) -5.51 6.75 12.26 AmOCl - Analcime 0.64 7.29 6.65 Na0.99Al0.99Si2.01O6:H2O - Anapaite 0.02 5.04 5.02 Ca2Fe(PO4)2:4H2O - Anglesite 0.69 -7.16 -7.85 Pb(SO4) - Anhydrite -2.60 -7.04 -4.44 Ca(SO4) - Annite 0.95 33.72 32.77 KFe3Si3AlO10(OH)2 - Anorthite 1.39 26.70 25.31 CaAl2Si2O8 - Antarcticite -13.54 -9.60 3.94 CaCl2:6H2O - Antigorite -139.79 360.38 500.16 Mg48Si34O85(OH)62 - Aragonite -3.28 -11.59 -8.31 CaCO3 - Arcanite -8.00 -9.85 -1.85 K2SO4 - Artinite -10.73 -0.92 9.81 Mg2(CO3)(OH)2:3H2O - As(s) -31.55 23.33 54.89 As + Al(cr) -105.95 -20.52 85.43 Al + Al(PO4)(cr) 2.17 -1.45 -3.62 Al(PO4) + Al(PO4):2H2O(s) 1.06 -1.45 -2.51 Al(PO4):2H2O + Alabandite -62.33 -61.43 0.90 MnS + Alamosite -0.62 5.55 6.17 PbSiO3 + Albite-high -1.23 2.91 4.14 NaAlSi3O8 + Albite-low 0.17 2.91 2.74 NaAlSi3O8 + Am(cr) -121.00 -16.11 104.89 Am + Am(OH)3(am) -0.01 16.89 16.90 Am(OH)3 + Am(OH)3(cr) 1.29 16.89 15.60 Am(OH)3 + Am(PO4):0.5H2O(am) 8.18 2.95 -5.23 Am(PO4):0.5H2O + Am2(CO3)3(s) 1.33 -32.07 -33.40 Am2(CO3)3 + Am2O3(cr) -19.35 33.77 53.12 Am2O3 + AmBr3(cr) -37.99 -14.06 23.93 AmBr3 + AmCl3(cr) -28.77 -13.48 15.29 AmCl3 + AmCl6Cs2Na(cr) -44.67 -32.11 12.56 AmCl6Cs2Na + AmCO3OH(cr) 6.45 -5.06 -11.51 Am(CO3)(OH) + AmCO3OH(s) 1.14 -5.06 -6.20 Am(CO3)(OH) + AmCO3OH:0.5H2O(s) 3.34 -5.06 -8.40 Am(CO3)(OH):0.5H2O + Amesite 14.15 83.54 69.39 Mg4Al4Si2O10(OH)8 + Amesite-Fe 21.51 78.61 57.10 Fe4Al4Si2O10(OH)8 + AmF3(cr) -4.82 -18.22 -13.40 AmF3 + AmI3(cr) -45.27 -19.97 25.30 AmI3 + AmO2(cr) -6.44 27.89 34.33 AmO2 + AmO2OH(am) -24.78 -19.48 5.30 AmO2OH + AmOBr(cr) -9.41 6.57 15.98 AmOBr + AmOCl(cr) -5.50 6.76 12.26 AmOCl + Analcime 0.55 7.19 6.64 Na0.99Al0.99Si2.01O6:H2O + Andersonite -9.48 -41.28 -31.80 Na2CaUO2(CO3)3:6H2O + Anglesite 0.20 -7.65 -7.85 Pb(SO4) + Anhydrite -2.62 -7.06 -4.44 Ca(SO4) + Annite -1.65 31.17 32.82 KFe3Si3AlO10(OH)2 + Anorthite 1.30 26.61 25.31 CaAl2Si2O8 + Antarcticite -13.55 -9.61 3.94 CaCl2:6H2O + Antigorite -141.50 358.39 499.89 Mg48Si34O85(OH)62 + Antlerite 2.74 11.65 8.91 Cu3SO4(OH)4 + Aragonite -3.00 -11.31 -8.31 CaCO3 + Arcanite -8.01 -9.86 -1.85 K2SO4 + Artinite -10.46 -0.65 9.81 Mg2(CO3)(OH)2:3H2O + As(cr) -31.55 -84.14 -52.59 As As2O5(s) -22.95 -58.29 -35.34 As2O5 - B(cr) -82.21 18.20 100.42 B - B(OH)3(cr) -3.97 -13.28 -9.31 B(OH)3 - B2O3(am) -15.93 -26.56 -10.63 B2O3 - B2O3(cr) -13.82 -26.56 -12.74 B2O3 - Ba(cr) -109.06 31.63 140.69 Ba + Azurite 2.35 -14.56 -16.91 Cu3(CO3)2(OH)2 + B(cr) -82.08 -46.15 35.93 B + B(OH)3(cr) -3.84 -13.15 -9.31 B(OH)3 + B2O3(am) -15.68 -26.31 -10.63 B2O3 + B2O3(cr) -13.57 -26.31 -12.74 B2O3 + Ba(cr) -109.06 -11.36 97.70 Ba Ba(OH)2:8H2O(cr) -13.23 10.64 23.87 Ba(OH)2:8H2O - Ba(SeO3)(s) -8.57 -15.07 -6.50 Ba(SeO3) - Ba(SeO4)(cr) -13.55 -21.11 -7.56 Ba(SeO4) - BaCl2(cr) -11.90 -9.60 2.30 BaCl2 - BaCl2:2H2O(s) -9.26 -9.60 -0.34 BaCl2:2H2O - BaCl2:H2O(s) -9.88 -9.60 0.28 BaCl2:H2O - BaF2(cr) -6.39 -12.71 -6.32 BaF2 - BaHPO4(s) -2.40 -2.59 -0.19 BaHPO4 - BaMoO4(s) 1.14 -6.69 -7.83 BaMoO4 + Ba(SeO3)(s) -1.81 -8.31 -6.50 Ba(SeO3) + Ba(SeO4)(cr) -6.79 -14.35 -7.56 Ba(SeO4) + BaCl2(cr) -11.91 -9.61 2.30 BaCl2 + BaCl2:2H2O(s) -9.27 -9.61 -0.34 BaCl2:2H2O + BaCl2:H2O(s) -9.89 -9.61 0.28 BaCl2:H2O + BaF2(cr) -6.44 -12.76 -6.32 BaF2 + BaHPO4(s) -3.10 -3.29 -0.19 BaHPO4 + BaMoO4(s) 1.13 -6.70 -7.83 BaMoO4 BaO(cr) -37.43 10.64 48.07 BaO - Barite 2.93 -7.04 -9.97 Ba(SO4) - BaS(s) -77.01 -61.35 15.66 BaS - Bassanite -3.12 -7.04 -3.92 CaSO4:0.5H2O - Bassetite -2.87 -3.94 -1.07 Fe(UO2)2(PO4)2 - Becquerelite(nat) 18.56 47.56 29.00 Ca(UO2)6O4(OH)6:8H2O - Becquerelite(syn) 7.06 47.56 40.50 Ca(UO2)6O4(OH)6:8H2O - Beidellite-Ca 8.95 14.72 5.77 Ca0.17Al2.34Si3.66O10(OH)2 - Beidellite-K 9.65 14.25 4.60 K0.34Al2.34Si3.66O10(OH)2 - Beidellite-Mg 9.50 14.73 5.23 Mg0.17Al2.34Si3.66O10(OH)2 - Beidellite-Na 9.15 14.25 5.10 Na0.34Al2.34Si3.66O10(OH)2 - Beidellite_SBld-1 8.69 16.28 7.59 Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2 - Beidellite_SBld-1(4.576H2O) 11.99 16.28 4.29 Ca0.185K0.104Si3.574Al2.238Mg0.090Fe0.112O10(OH)2:4.576H2O - Berlinite -0.19 -0.76 -0.57 Al(PO4) - Berndtite -116.97 -154.53 -37.56 SnS2 - Berthierine(FeII) 6.38 40.94 34.56 (Fe2Al)(SiAl)O5(OH)4 - Berthierine(FeIII) 4.22 33.02 28.80 (Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4 - Berthierine_ISGS 4.54 32.47 27.93 (Si1.332Al0.668)(Al0.976Fe0.182Fe1.44Mg0.157)O5(OH)4 - Berthierine_Lorraine 23.18 24.21 1.03 Fe0.608Fe0.936Mg0.37Al1.052Si1.52O5(OH)4 - Bieberite -4.68 -7.03 -2.35 CoSO4:7H2O - Bischofite -14.04 -9.58 4.46 MgCl2:6H2O - Bloedite -14.52 -16.87 -2.35 Na2Mg(SO4)2:4H2O - Boehmite 4.85 12.47 7.62 AlO(OH) - Brucite -6.44 10.66 17.10 Mg(OH)2 - Brushite -3.19 -2.59 0.60 Ca(HPO4):2H2O + Barite 2.92 -7.05 -9.97 Ba(SO4) + BaS(s) -77.02 -61.36 15.66 BaS + Bassanite -3.14 -7.06 -3.92 CaSO4:0.5H2O + Bassetite -5.18 -6.25 -1.07 Fe(UO2)2(PO4)2 + Be(cr) -80.44 -13.82 66.62 Be + Be(OH)2(alpha,cr) 1.28 8.18 6.90 Be(OH)2 + Be(OH)2(beta,cr) 2.28 8.18 5.90 Be(OH)2 + BeCl2(alpha,cr) -46.49 -12.07 34.42 BeCl2 + BeCl2(beta,cr) -45.92 -12.07 33.85 BeCl2 + Becquerelite(nat) 18.22 47.22 29.00 Ca(UO2)6O4(OH)6:8H2O + Becquerelite(syn) 6.72 47.22 40.50 Ca(UO2)6O4(OH)6:8H2O + BeF2(alfa,cr) -8.91 -15.23 -6.32 BeF2 + Beidellite-Ca 8.79 14.56 5.77 Ca0.17Al2.34Si3.66O10(OH)2 + Beidellite-K 9.48 14.08 4.60 K0.34Al2.34Si3.66O10(OH)2 + Beidellite-Mg 9.33 14.56 5.23 Mg0.17Al2.34Si3.66O10(OH)2 + Beidellite-Na 8.98 14.08 5.10 Na0.34Al2.34Si3.66O10(OH)2 + Beidellite_SBld-1 8.44 16.02 7.58 Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2 + Beidellite_SBld-1(4.576H2O) 11.76 16.02 4.26 Ca0.185K0.104Si3.574Al2.238Mg0.090Fe0.112O10(OH)2:4.576H2O + BeO(cr) 1.46 8.18 6.72 BeO + Berlinite -0.88 -1.45 -0.57 Al(PO4) + Berndtite -117.00 -154.56 -37.56 SnS2 + Berthierine(FeII) 4.70 39.31 34.61 (Fe2Al)(SiAl)O5(OH)4 + Berthierine(FeIII) 1.96 30.81 28.85 (Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4 + Berthierine_ISGS 3.17 31.11 27.94 (Si1.332Al0.668)(Al0.976Fe0.182Fe1.44Mg0.157)O5(OH)4 + Berthierine_Lorraine 21.85 22.86 1.01 Fe0.608Fe0.936Mg0.37Al1.052Si1.52O5(OH)4 + BeSO4(alfa,cr) -15.64 -9.52 6.12 BeSO4 + Bieberite -4.70 -7.05 -2.35 CoSO4:7H2O + Bischofite -14.06 -9.60 4.46 MgCl2:6H2O + Bloedite -14.56 -16.91 -2.35 Na2Mg(SO4)2:4H2O + Boehmite 4.86 12.48 7.62 AlO(OH) + Br2(l) 37.76 1.37 -36.39 Br2 + Brochantite 5.89 21.43 15.54 Cu4SO4(OH)6 + Brucite -6.45 10.65 17.10 Mg(OH)2 + Brushite -3.90 -3.30 0.60 Ca(HPO4):2H2O Bunsenite -1.87 10.61 12.48 NiO - Burkeite -33.33 -34.10 -0.77 Na6(CO3)(SO4)2 - C(cr) -34.08 19.75 53.83 C - C2SH(alpha) -18.70 16.84 35.54 Ca2(HSiO4)(OH) - C3AH6 -23.45 56.87 80.32 Ca3Al2(OH)12 - C3FH6 -24.04 48.35 72.39 Ca3Fe2(OH)12 + Burkeite -33.08 -33.85 -0.77 Na6(CO3)(SO4)2 + C(cr) -33.80 -65.95 -32.15 C + C2SH(alpha) -18.76 16.78 35.54 Ca2(HSiO4)(OH) + C3AH6 -23.44 56.88 80.32 Ca3Al2(OH)12 + C3FH6 -25.67 46.66 72.33 Ca3Fe2(OH)12 C4AH13 -36.14 67.51 103.65 Ca4Al2(OH)14:6H2O - C4FH13 -36.17 58.99 95.16 Ca4Fe2(OH)14:6H2O - Ca(HPO4)(s) -2.89 -2.59 0.30 Ca(HPO4) - Ca(NO3)2(s) -51.05 -45.16 5.89 Ca(NO3)2 - Ca(s) -108.21 31.63 139.84 Ca - Ca(SeO3):H2O(s) -8.67 -15.07 -6.40 Ca(SeO3):H2O - Ca(SeO4):2H2O(s) -18.43 -21.11 -2.68 Ca(SeO4):2H2O - Ca(SO3)(s) -26.16 -32.66 -6.50 Ca(SO3) - Ca2Cl2(OH)2:H2O(s) -25.48 1.05 26.53 Ca2Cl2(OH)2:H2O - Ca2Fe2O5(s) -19.05 37.71 56.76 Ca2Fe2O5 - Ca2ZrSi3O12(cr) 117.22 -37.03 -154.25 Ca2ZrSi3O12 - Ca3(AsO4)2:xH2O -5.36 -26.36 -21.00 Ca3(AsO4)2 - Ca3(PO4)2(alfa) -4.76 5.46 10.22 Ca3(PO4)2 - Ca3B2O6(s) -35.21 5.37 40.58 Ca3B2O6 - Ca3ZrSi2O9(cr) -27.83 20.04 47.87 Ca3ZrSi2O9 + C4FH13 -37.79 57.29 95.08 Ca4Fe2(OH)14:6H2O + Ca(cr) -108.21 -11.36 96.85 Ca + Ca(HPO4)(s) -3.59 -3.29 0.30 Ca(HPO4) + Ca(NO3)2(s) -50.73 -44.84 5.89 Ca(NO3)2 + Ca(SeO3):H2O(s) -1.92 -8.32 -6.40 Ca(SeO3):H2O + Ca(SeO4):2H2O(s) -11.68 -14.36 -2.68 Ca(SeO4):2H2O + Ca(SO3)(s) -26.18 -32.68 -6.50 Ca(SO3) + Ca0.5NpO2(OH)2:1.3H2O(cr) -3.07 9.23 12.30 Ca0.5NpO2(OH)2:1.3H2O + Ca2Cl2(OH)2:H2O(s) -25.50 1.03 26.53 Ca2Cl2(OH)2:H2O + Ca2Fe2O5(s) -20.72 36.02 56.74 Ca2Fe2O5 + Ca2ZrSi3O12(cr) 117.06 48.79 -68.27 Ca2ZrSi3O12 + Ca3(AsO4)2:xH2O -5.38 -26.38 -21.00 Ca3(AsO4)2 + Ca3(PO4)2(alfa) -6.17 4.05 10.22 Ca3(PO4)2 + Ca3B2O6(s) -34.97 5.61 40.58 Ca3B2O6 + Ca3ZrSi2O9(cr) -27.95 19.92 47.87 Ca3ZrSi2O9 Ca4Al2O6(CrO4):15H2O(s) -33.14 38.22 71.36 Ca4Al2O6(CrO4):15H2O - Ca4Cl2(OH)6:13H2O(s) -46.40 22.33 68.73 Ca4Cl2(OH)6:13H2O - Ca4H(PO4)3:2.5H2O(s) -8.94 2.87 11.81 Ca4H(PO4)3:2.5H2O - Ca6(Al(OH)6)2(CrO4)3:26H2O(s) -59.37 0.91 60.28 Ca6(Al(OH)6)2(CrO4)3:26H2O - CaB2O4(s) -13.74 -15.92 -2.18 CaB2O4 - CaB4O7(s) -19.04 -42.48 -23.44 CaB4O7 - CaCl2:2H2O(cr) -17.55 -9.60 7.95 CaCl2:2H2O - CaCl2:4H2O(cr) -14.95 -9.60 5.35 CaCl2:4H2O - CaCl2:H2O(s) -17.45 -9.60 7.85 CaCl2:H2O - CaCO3:H2O(s) -3.99 -11.59 -7.60 CaCO3:H2O - CaCrO4(s) -15.50 -18.65 -3.15 CaCrO4 - Cadmoselite -8.88 -27.56 -18.68 CdSe - CaF2:6H2O(s) -7.24 -12.72 -5.48 CaF2:6H2O - CaFe2O4(s) 5.83 27.07 21.24 CaFe2O4 + Ca4Cl2(OH)6:13H2O(s) -46.43 22.30 68.73 Ca4Cl2(OH)6:13H2O + Ca4H(PO4)3:2.5H2O(s) -11.06 0.75 11.81 Ca4H(PO4)3:2.5H2O + Ca6(Al(OH)6)2(CrO4)3:26H2O(s) -59.38 0.90 60.28 Ca6(Al(OH)6)2(CrO4)3:26H2O + CaB2O4(s) -13.49 -15.67 -2.18 CaB2O4 + CaB4O7(s) -18.53 -41.97 -23.44 CaB4O7 + CaCl2:2H2O(cr) -17.56 -9.61 7.95 CaCl2:2H2O + CaCl2:4H2O(cr) -14.96 -9.61 5.35 CaCl2:4H2O + CaCl2:H2O(s) -17.46 -9.61 7.85 CaCl2:H2O + CaCO3:H2O(s) -3.71 -11.31 -7.60 CaCO3:H2O + CaCrO4(s) -15.51 -18.66 -3.15 CaCrO4 + Cadmoselite -2.13 -20.81 -18.68 CdSe + CaF2:6H2O(s) -7.29 -12.77 -5.48 CaF2:6H2O + CaFe2O4(s) 4.14 25.38 21.24 CaFe2O4 CaI2(s) -36.43 -13.93 22.50 CaI2 - Calcite -3.11 -11.59 -8.48 CaCO3 - CaMg3(CO3)4(s) -15.52 -46.33 -30.81 CaMg3(CO3)4 - CaMoO4(s) 1.21 -6.69 -7.90 CaMoO4 + Calcite -2.83 -11.31 -8.48 CaCO3 + CaMg3(CO3)4(s) -14.39 -45.20 -30.81 CaMg3(CO3)4 + CaMoO4(s) 1.20 -6.70 -7.90 CaMoO4 CaO(cr) -22.06 10.64 32.70 CaO - Carnallite -20.12 -15.79 4.33 KMgCl3:6H2O - CaSn(OH)6(s) 0.83 0.09 -0.74 CaSn(OH)6 + Carnallite -20.13 -15.80 4.33 KMgCl3:6H2O + CaSn(OH)6(s) 0.82 0.08 -0.74 CaSn(OH)6 Cassiterite 5.05 -10.55 -15.60 SnO2 - Cattierite -91.35 -154.32 -62.97 CoS2 - CaU2O7:3H2O(cr) -0.45 22.95 23.40 CaU2O7:3H2O - Cd(CO3)(s) 0.48 -11.62 -12.10 Cd(CO3) - Cd(cr) -25.00 31.61 56.61 Cd + Cattierite -91.38 -111.36 -19.98 CoS2 + CaU2O7:3H2O(cr) -0.57 22.83 23.40 CaU2O7:3H2O + Cd(CO3)(s) 0.77 -11.33 -12.10 Cd(CO3) + Cd(cr) -25.00 -11.38 13.62 Cd Cd(OH)2(s) -3.24 10.62 13.86 Cd(OH)2 - Cd(SO4)(cr) -6.90 -7.06 -0.16 Cd(SO4) - Cd(SO4):2.67H2O(cr) -5.51 -7.06 -1.55 Cd(SO4):2.67H2O + Cd(SO4)(cr) -6.92 -7.08 -0.16 Cd(SO4) + Cd(SO4):2.67H2O(cr) -5.53 -7.08 -1.55 Cd(SO4):2.67H2O Cd3(AsO4)2(s) 6.18 -26.44 -32.62 Cd3(AsO4)2 - Cd3(PO4)2(s) -3.58 5.39 8.97 Cd3(PO4)2 - Cd5(PO4)3Cl(cr) -9.40 3.27 12.67 Cd5(PO4)3Cl - Cd5(PO4)3OH(cr) -6.45 13.39 19.84 Cd5(PO4)3OH - CdB2O4(s) -7.30 -15.94 -8.64 CdB2O4 - CdCl2(s) -8.96 -9.62 -0.66 CdCl2 - CdCl2:2.5H2O(s) -7.72 -9.62 -1.90 CdCl2:2.5H2O - CdCl2:H2O(cr) -7.93 -9.62 -1.69 CdCl2:H2O + Cd3(PO4)2(s) -4.99 3.98 8.97 Cd3(PO4)2 + Cd5(PO4)3Cl(cr) -11.51 1.16 12.67 Cd5(PO4)3Cl + Cd5(PO4)3OH(cr) -8.56 11.28 19.84 Cd5(PO4)3OH + CdB2O4(s) -7.05 -15.69 -8.64 CdB2O4 + CdCl2(s) -8.97 -9.63 -0.66 CdCl2 + CdCl2:2.5H2O(s) -7.73 -9.63 -1.90 CdCl2:2.5H2O + CdCl2:H2O(cr) -7.94 -9.63 -1.69 CdCl2:H2O CdO(s) -4.48 10.62 15.10 CdO - CdS(s) -46.55 -61.37 -14.82 CdS - CdSiO3(cr) -1.62 6.17 7.79 CdSiO3 - Celadonite-Fe -1.39 8.83 10.22 KFeAlSi4O10(OH)2 - Celadonite-Mg -0.96 9.26 10.22 KMgAlSi4O10(OH)2 - Celestite -0.41 -7.03 -6.62 Sr(SO4) - Cerussite 1.58 -11.71 -13.29 Pb(CO3) - CH4(g) -69.18 61.73 130.91 CH4 - Chabazite 6.26 17.80 11.54 CaAl2Si4O12:6H2O - Chamosite 15.12 62.72 47.60 Fe5Al2Si3O10(OH)8 - Chloroapatite -1.82 3.39 5.21 Ca5Cl(PO4)3 - Chromite 17.75 32.87 15.12 FeCr2O4 - Cl2(g) -44.22 -41.23 2.99 Cl2 - Clarkeite 0.67 10.07 9.40 Na(UO2)O(OH) - Claudetite -20.77 -22.23 -1.46 As2O3 - Clausthalite -7.13 -27.66 -20.53 PbSe - Clinochlore 3.17 64.89 61.72 Mg5Al2Si3O10(OH)8 - Clinoptilolite_Ca 0.14 -2.21 -2.35 Ca0.55(Si4.9Al1.1)O12:3.9H2O - Clinoptilolite_K -2.53 -3.76 -1.23 K1.1(Si4.9Al1.1)O12:2.7H2O - Clinoptilolite_Na -3.67 -3.76 -0.09 Na1.1(Si4.9Al1.1)O12:3.5H2O - Cm(CO3)(OH)(cr) 4.97 -5.37 -10.34 Cm(CO3)(OH) - Cm(CO3)(OH):0.5H2O(s) 2.41 -5.37 -7.78 Cm(CO3)(OH):0.5H2O - Cm(cr) -120.45 48.35 168.80 Cm - Cm(OH)3(am) -1.04 16.86 17.90 Cm(OH)3 - Cm(OH)3(cr) 1.26 16.86 15.60 Cm(OH)3 - Cm(PO4):xH2O(s) 8.60 3.63 -4.97 Cm(PO4) - Cm2(CO3)3(am) 0.92 -32.98 -33.90 Cm2(CO3)3 - Cm2O3(cr) -19.38 33.72 53.10 Cm2O3 - CmCl3(cr) -28.57 -13.50 15.07 CmCl3 - CmF3(cr) -5.02 -18.18 -13.16 CmF3 - CmOCl(cr) -2.75 6.74 9.49 CmOCl - CmOHCO3(am) 0.75 -5.37 -6.12 CmOHCO3 - Co(cr) -21.09 31.64 52.73 Co - Co(FeO2)2(alpha) 26.31 27.08 0.77 Co(FeO2)2 - CO(g) -29.59 -1.24 28.35 CO + CdS(s) -46.57 -61.39 -14.82 CdS + CdSiO3(cr) -1.67 6.12 7.79 CdSiO3 + Celadonite-Fe 1.38 7.83 6.45 KFeAlSi4O10(OH)2 + Celadonite-Mg -1.14 9.06 10.20 KMgAlSi4O10(OH)2 + Celestite -0.42 -7.04 -6.62 Sr(SO4) + Cerussite 1.39 -11.90 -13.29 Pb(CO3) + CH4(g) -68.90 -109.95 -41.05 CH4 + Chabazite 6.09 17.61 11.52 CaAl2Si4O12:6H2O + Chalcanthite -5.22 -7.91 -2.69 CuSO4:5H2O + Chalcocite -34.76 -68.78 -34.02 Cu2S + Chalcocyanite -10.85 -7.91 2.94 CuSO4 + Chamosite 10.90 58.58 47.68 Fe5Al2Si3O10(OH)8 + Chloroapatite -3.94 1.27 5.21 Ca5Cl(PO4)3 + Chromite 16.93 32.07 15.14 FeCr2O4 + Chukanovite -6.08 -3.11 2.97 Fe2(OH)2CO3 + Cinnabar -32.92 -72.10 -39.18 HgS + Cl2(g) -44.23 1.75 45.98 Cl2 + Clarkeite 0.61 10.01 9.40 Na(UO2)O(OH) + Claudetite -20.79 -22.25 -1.46 As2O3 + Clausthalite -0.85 -21.38 -20.53 PbSe + Clinochlore 3.05 64.73 61.68 Mg5Al2Si3O10(OH)8 + Clinoptilolite_Ca -0.11 -2.46 -2.35 Ca0.55(Si4.9Al1.1)O12:3.9H2O + Clinoptilolite_K -2.77 -4.00 -1.23 K1.1(Si4.9Al1.1)O12:2.7H2O + Clinoptilolite_Na -3.91 -4.00 -0.09 Na1.1(Si4.9Al1.1)O12:3.5H2O + Cm(cr) -120.43 -16.12 104.31 Cm + Cm(OH)3(am) -0.92 16.88 17.80 Cm(OH)3 + Cm(OH)3(cr) 1.21 16.88 15.67 Cm(OH)3 + Cm(PO4):0.5H2O(am) 7.92 2.95 -4.97 Cm(PO4):0.5H2O + Cm2(CO3)3(s) 2.22 -32.08 -34.30 Cm2(CO3)3 + Cm2O3(cr) -19.20 33.77 52.97 Cm2O3 + CmCl3(cr) -28.56 -13.49 15.07 CmCl3 + CmCO3OH(cr) 5.28 -5.06 -10.34 Cm(CO3)(OH) + CmCO3OH(s) 1.09 -5.06 -6.15 CmOHCO3 + CmCO3OH:0.5H2O(s) 2.66 -5.06 -7.72 Cm(CO3)(OH):0.5H2O + CmF3(cr) -5.06 -18.22 -13.16 CmF3 + CmOCl(cr) -2.73 6.76 9.49 CmOCl + Co(cr) -21.09 -11.35 9.74 Co + Co(FeO2)2(alpha) 24.66 25.39 0.73 Co(FeO2)2 + CO(g) -29.31 -43.95 -14.64 CO Co(OH)2(s,blue) -3.15 10.65 13.80 Co(OH)2 Co(OH)2(s,rose1) -1.55 10.65 12.20 Co(OH)2 Co(OH)2(s,rose2) -2.55 10.65 13.20 Co(OH)2 - Co(SeO3):2H2O(s) -7.16 -15.06 -7.90 Co(SeO3):2H2O - Co(SeO4):6H2O(s) -19.34 -21.10 -1.76 Co(SeO4):6H2O - Co0.84Se(cr) -16.41 -32.59 -16.18 Co0.84Se - CO2(g) -4.08 -22.23 -18.15 CO2 - Co2SiO4(s) 9.51 16.86 7.35 Co2SiO4 - Co3(AsO4)2(s) 1.23 -26.33 -27.56 Co3(AsO4)2 - Co3(PO4)2(s) 1.13 5.49 4.36 Co3(PO4)2 - Co3O4(s) -0.90 10.97 11.87 Co3O4 - CoCl2(s) -18.06 -9.59 8.47 CoCl2 - CoCl2:6H2O(s) -12.13 -9.59 2.54 CoCl2:6H2O - CoF2(s) -11.31 -12.70 -1.39 CoF2 - Coffinite -3.45 -11.25 -7.80 U(SiO4) - Coffinite(am) -9.75 -11.25 -1.50 U(SiO4) - CoHPO4(s) -3.07 -2.58 0.49 CoHPO4 - Compreignacite 8.95 44.75 35.80 K2(UO2)6O4(OH)6:7H2O + Co(SeO3):2H2O(s) -0.40 -8.30 -7.90 Co(SeO3):2H2O + Co(SeO4):6H2O(s) -12.59 -14.35 -1.76 Co(SeO4):6H2O + Co0.84Se(cr) -9.66 -18.96 -9.30 Co0.84Se + CO2(g) -3.80 -21.95 -18.15 CO2 + Co2SiO4(s) 9.45 16.80 7.35 Co2SiO4 + Co3(AsO4)2(s) 1.22 -26.34 -27.56 Co3(AsO4)2 + Co3(PO4)2(s) -0.28 4.08 4.36 Co3(PO4)2 + Co3O4(s) -0.91 53.95 54.86 Co3O4 + CoCl2(s) -18.07 -9.60 8.47 CoCl2 + CoCl2:6H2O(s) -12.14 -9.60 2.54 CoCl2:6H2O + CoF2(s) -11.37 -12.76 -1.39 CoF2 + Coffinite -6.89 -11.36 -4.47 U(SiO4) + CoHPO4(s) -3.77 -3.28 0.49 CoHPO4 + Compreignacite 8.61 44.41 35.80 K2(UO2)6O4(OH)6:7H2O CoO(s) -3.12 10.65 13.77 CoO - Corundum 6.65 24.95 18.30 Al2O3 - CoS(alpha) -53.90 -61.34 -7.44 CoS - CoS(beta) -50.27 -61.34 -11.07 CoS - CoSe2(cr) -20.62 -86.70 -66.08 CoSe2 - CoSO4(s) -10.04 -7.03 3.01 CoSO4 - CoSO4:6H2O(s) -4.83 -7.03 -2.20 CoSO4:6H2O - CoSO4:H2O(s) -5.98 -7.03 -1.05 CoSO4:H2O - Cotunnite -4.90 -9.71 -4.81 PbCl2 + Corundum 6.66 24.96 18.30 Al2O3 + CoS(alpha) -53.91 -61.35 -7.44 CoS + CoS(beta) -50.28 -61.35 -11.07 CoS + CoSe2(cr) -7.11 -30.20 -23.09 CoSe2 + CoSO4(s) -10.05 -7.04 3.01 CoSO4 + CoSO4:6H2O(s) -4.85 -7.05 -2.20 CoSO4:6H2O + CoSO4:H2O(s) -6.00 -7.05 -1.05 CoSO4:H2O + Cotunnite -5.39 -10.20 -4.81 PbCl2 + Covellite -40.16 -62.22 -22.06 CuS + Cr(cr) -55.98 -95.29 -39.31 Cr Cr(OH)2(cr) -17.08 -6.08 11.00 Cr(OH)2 - Cr(OH)2(H2PO4)(s) -2.80 -1.91 0.89 Cr(OH)2(H2PO4) + Cr(OH)2(H2PO4)(s) -3.50 -2.61 0.89 Cr(OH)2(H2PO4) Cr(OH)3(cr) 3.82 11.32 7.50 Cr(OH)3 - Cr(s) -55.98 33.67 89.66 Cr - Cr2(SO4)3(s) -34.78 -30.40 4.38 Cr2(SO4)3 + Cr2(SO4)3(s) -34.81 -30.43 4.38 Cr2(SO4)3 Cr2O3(cr) 14.90 22.65 7.75 Cr2O3 - Cr2S3(s) -196.58 -193.32 3.26 Cr2S3 - CrCl2(cr) -39.04 -26.31 12.73 CrCl2 - CrCl3(cr) -39.22 -19.03 20.19 CrCl3 - Cristobalite -1.29 -4.45 -3.16 SiO2 - CrO2(cr) 0.38 -8.31 -8.69 CrO2 + Cr2S3(s) -196.62 -193.36 3.26 Cr2S3 + CrCl2(cr) -39.05 -26.32 12.73 CrCl2 + CrCl3(cr) -39.24 -19.05 20.19 CrCl3 + Cristobalite -1.34 -4.50 -3.16 SiO2 + CrO2(cr) 0.38 -51.30 -51.68 CrO2 CrO3(cr) -26.28 -29.30 -3.02 CrO3 - Crocoite -6.22 -18.77 -12.55 PbCrO4 - Cronstedtite-Th 16.31 32.42 16.11 Fe4SiO5(OH)4 - CrPO4(green) 1.15 -1.91 -3.06 CrPO4 - CrPO4(purple) -4.47 -1.91 2.56 CrPO4 - CrS(s) -79.73 -78.07 1.66 CrS - Cs(s) -58.14 14.41 72.56 Cs - Cs2(CO3)(s) -24.30 -14.40 9.90 Cs2(CO3) - Cs2(SO4)(s) -10.43 -9.85 0.58 Cs2(SO4) - Cs2MoO4(s) -11.71 -9.50 2.21 Cs2MoO4 + Crocoite -6.70 -19.25 -12.55 PbCrO4 + Cronstedtite-Th 12.98 29.09 16.11 Fe4SiO5(OH)4 + CrPO4(green) 0.45 -2.61 -3.06 CrPO4 + CrPO4(purple) -5.17 -2.61 2.56 CrPO4 + CrS(s) -79.74 -78.08 1.66 CrS + Cs(cr) -58.15 -7.09 51.06 Cs + Cs2(CO3)(s) -24.02 -14.12 9.90 Cs2(CO3) + Cs2(SO4)(s) -10.45 -9.87 0.58 Cs2(SO4) + Cs2MoO4(s) -11.72 -9.51 2.21 Cs2MoO4 Cs2O(s) -81.85 7.83 89.68 Cs2O CsBr(cr) -7.12 -6.40 0.72 CsBr - CsCl(cr) -7.75 -6.20 1.55 CsCl - CSH0.8 -6.98 4.07 11.05 Ca0.8SiO2.8:1.54H2O - CSH1.2 -10.97 8.33 19.30 Ca1.2SiO3.2:2.06H2O - CSH1.6 -15.42 12.58 28.00 Ca1.6SiO3.6:2.58H2O - Cu(cr) -0.67 30.93 31.60 Cu - Cu(SeO3):2H2O(s) -6.28 -15.78 -9.50 Cu(SeO3):2H2O - Cu(SeO4):5H2O(s) -19.38 -21.82 -2.44 Cu(SeO4):5H2O - Cu2Se(alfa) 10.86 -35.03 -45.89 Cu2Se - Cu3(AsO4)2(s) 6.40 -28.48 -34.88 Cu3(AsO4)2 - CuSe(alfa) -2.78 -28.24 -25.46 CuSe - CuSe(beta) -3.11 -28.24 -25.13 CuSe - Dawsonite 0.15 -5.85 -6.00 NaAl(CO3)(OH)2 - Diaspore 5.61 12.47 6.86 AlO(OH) - Dickite 6.66 16.05 9.39 Al2Si2O5(OH)4 - Dolomite -6.05 -23.17 -17.12 CaMg(CO3)2 - Downeyite -17.56 -25.71 -8.15 SeO2 - Eastonite 7.44 53.76 46.32 KMg2Al3Si2O10(OH)2 - Epsonite -5.15 -7.03 -1.88 Mg(SO4):7H2O - Ettringite -21.22 35.75 56.97 Ca6Al2(SO4)3(OH)12:26H2O - Ettringite-Fe -27.32 27.23 54.55 Ca6Fe2(SO4)3(OH)12:26H2O - Eu(CO3)(OH)(cr) 4.28 -5.35 -9.63 Eu(CO3)(OH) - Eu(CO3)(OH):0.5H2O(s) 2.45 -5.35 -7.80 Eu(CO3)(OH):0.5H2O - Eu(cr) -116.75 48.37 165.12 Eu - Eu(NO3)3:6H2O(s) -68.66 -66.82 1.84 Eu(NO3)3:6H2O - Eu(OH)3(am) -0.72 16.88 17.60 Eu(OH)3 - Eu(OH)3(cr) 1.42 16.88 15.46 Eu(OH)3 - Eu(PO4):xH2O(s) 8.49 3.65 -4.84 Eu(PO4) - Eu2(CO3)3:3H2O(s) 2.06 -32.94 -35.00 Eu2(CO3)3:3H2O - Eu2(SO4)3:8H2O(s) -9.08 -19.28 -10.20 Eu2(SO4)3:8H2O - Eu2O3(cubic) -18.63 33.77 52.40 Eu2O3 - Eu2O3(monoclinic) -19.70 33.77 53.47 Eu2O3 - Eu3O4(s) -53.36 61.15 114.51 Eu3O4 - EuBr3(s) -44.26 -14.07 30.19 EuBr3 - EuCl(OH)2(s) -2.36 6.77 9.13 EuCl(OH)2 - EuCl2(s) -25.57 7.14 32.71 EuCl2 - EuCl3(s) -33.19 -13.47 19.72 EuCl3 - EuCl3:6H2O(s) -18.68 -13.48 5.20 EuCl3:6H2O - EuF3(s) 0.35 -18.15 -18.50 EuF3 - EuF3:0.5H2O(s) -0.95 -18.15 -17.20 EuF3:0.5H2O - EuO(s) -38.88 27.38 66.27 EuO - EuOCl(s) -9.04 6.77 15.81 EuOCl - EuPO4:H2O(cr) 10.09 3.65 -6.44 EuPO4:H2O - EuSO4(s) -9.28 9.70 18.97 EuSO4 - Fayalite -3.51 16.00 19.51 Fe2(SiO4) - Fe(OH)2(cr) -2.54 10.22 12.76 Fe(OH)2 - Fe(PO4)(cr) 1.22 -5.02 -6.24 Fe(PO4) - Fe(s) -27.64 31.21 58.85 Fe - Fe1.04Se(beta) -25.03 -26.71 -1.68 Fe1.04Se - Fe2(SeO3)3:6H2O(s) -19.14 -60.72 -41.58 Fe2(SeO3)3:6H2O - Fe3Se4(gamma) -74.46 -143.05 -68.59 Fe3Se4 - Fe5(OH)(PO4)3(s) 413.73 11.41 -402.32 Fe5(OH)(PO4)3 - Fe7Se8(alfa) -176.30 -254.89 -78.59 Fe7Se8 - FeAl2O4(s) 7.97 35.17 27.20 FeAl2O4 - FeMoO4(s) 1.24 -7.11 -8.35 FeMoO4 - FeO(s) -3.15 10.22 13.37 FeO - Ferrihydrite(am) 5.67 8.21 2.54 Fe(OH)3 - Ferroselite -27.01 -87.13 -60.12 FeSe2 - Ferrosilite -26.93 5.78 32.71 FeSiO3 - Ferryhydrite 7.02 8.21 1.19 Fe(OH)3 - FeS(am) -58.82 -61.77 -2.95 FeS - Fluorapatite 2.74 1.83 -0.91 Ca5F(PO4)3 - Fluorite -2.12 -12.72 -10.60 CaF2 - Foshagite -36.72 29.24 65.96 Ca4Si3O9(OH)2:0.5H2O - Friedel-salt -27.65 47.28 74.93 Ca4Al2(OH)12Cl2:4H2O - Galena -46.63 -61.47 -14.84 PbS - Gaylussite -16.57 -26.00 -9.43 CaNa2(CO3)2:5H2O - Gibbsite 4.73 12.47 7.74 Al(OH)3 - Gismondine 14.38 53.39 39.01 Ca2Al4Si4O16:9H2O - Glaserite -31.79 -39.40 -7.61 Na2K6(SO4)4 - Glauberite -18.86 -16.89 1.97 Na2Ca(SO4)2 - Glauconite 6.13 7.99 1.86 (K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 - Goethite 7.82 8.21 0.39 FeOOH - Greenalite 0.00 21.77 21.77 Fe3Si2O5(OH)4 - Gypsum -2.43 -7.04 -4.61 CaSO4:2H2O - Gyrolite -14.39 7.95 22.34 Ca2Si3O7.5(OH):2H2O - H2(g) -22.00 20.99 42.99 H2 + CsCl(cr) -7.76 -6.21 1.55 CsCl + CSH0.8 -7.04 4.01 11.05 Ca0.8SiO2.8:1.54H2O + CSH1.2 -11.03 8.27 19.30 Ca1.2SiO3.2:2.06H2O + CSH1.6 -15.48 12.52 28.00 Ca1.6SiO3.6:2.58H2O + Cu(cr) -0.83 -12.22 -11.39 Cu + Cu(OH)2(s) 1.14 9.78 8.64 Cu(OH)2 + Cu(SeO3):2H2O(s) 0.33 -9.17 -9.50 Cu(SeO3):2H2O + Cu(SeO4):5H2O(s) -12.77 -15.21 -2.44 Cu(SeO4):5H2O + Cu1.75S(cr) -35.92 -67.14 -31.22 Cu1.75S + Cu1.934S(cr) -35.02 -68.35 -33.33 Cu1.934S + Cu2Cl(OH)3(am) 1.98 9.44 7.46 Cu2Cl(OH)3 + Cu2Cl(OH)3(s) 2.54 9.44 6.90 Cu2Cl(OH)3 + Cu2O(cr) 3.84 3.22 -0.62 Cu2O + Cu2Se(alfa) 17.69 -28.20 -45.89 Cu2Se + Cu3(AsO4)2(s) 5.93 -28.95 -34.88 Cu3(AsO4)2 + CuCl(s) -1.69 -8.51 -6.82 CuCl + CuCO3(s) -0.72 -12.17 -11.45 CuCO3 + CuO(s) 2.15 9.78 7.63 CuO + CuSe(alfa) 3.82 -21.64 -25.46 CuSe + CuSe(beta) 3.49 -21.64 -25.13 CuSe + Dawsonite 0.45 -5.55 -6.00 NaAl(CO3)(OH)2 + Diaspore 5.61 12.48 6.87 AlO(OH) + Dickite 6.58 15.97 9.39 Al2Si2O5(OH)4 + Dolomite -5.48 -22.61 -17.13 CaMg(CO3)2 + Downeyite -10.80 -18.95 -8.15 SeO2 + Eastonite 7.37 53.67 46.30 KMg2Al3Si2O10(OH)2 + Epsonite -5.16 -7.04 -1.88 Mg(SO4):7H2O + Ettringite -21.27 35.70 56.97 Ca6Al2(SO4)3(OH)12:26H2O + Ettringite-Fe -29.07 25.48 54.55 Ca6Fe2(SO4)3(OH)12:26H2O + Eu(cr) -116.69 -16.05 100.64 Eu + Eu(NO3)3:6H2O(s) -68.10 -66.26 1.84 Eu(NO3)3:6H2O + Eu(OH)3(am) -0.65 16.95 17.60 Eu(OH)3 + Eu(OH)3(cr) 1.49 16.95 15.46 Eu(OH)3 + Eu(PO4):xH2O(s) 7.86 3.02 -4.84 Eu(PO4) + Eu2(CO3)3(s) 3.05 -31.95 -35.00 Eu2(CO3)3 + Eu2(SO4)3:8H2O(s) -8.99 -19.19 -10.20 Eu2(SO4)3:8H2O + Eu2O3(cubic) -18.50 33.90 52.40 Eu2O3 + Eu2O3(monoclinic) -19.57 33.90 53.47 Eu2O3 + Eu3O4(s) -53.17 39.85 93.02 Eu3O4 + EuBr3(s) -44.19 -14.00 30.19 EuBr3 + EuCl(OH)2(s) -2.30 6.83 9.13 EuCl(OH)2 + EuCl2(s) -25.52 -14.30 11.22 EuCl2 + EuCl3(s) -33.14 -13.42 19.72 EuCl3 + EuCl3:6H2O(s) -18.62 -13.42 5.20 EuCl3:6H2O + EuCO3OH(cr) 4.63 -5.00 -9.63 Eu(CO3)(OH) + EuCO3OH:0.5H2O(s) 2.80 -5.00 -7.80 Eu(CO3)(OH):0.5H2O + EuF3(s) 0.34 -18.16 -18.50 EuF3 + EuF3:0.5H2O(s) -0.96 -18.16 -17.20 EuF3:0.5H2O + EuO(s) -38.82 5.95 44.77 EuO + EuOCl(s) -8.98 6.83 15.81 EuOCl + EuPO4:H2O(cr) 9.46 3.02 -6.44 EuPO4:H2O + EuSO4(s) -9.22 -11.74 -2.52 EuSO4 + F2(g) -100.04 -1.40 98.64 F2 + Fayalite -5.20 14.35 19.55 Fe2(SiO4) + Fe(alpha,cr) -28.47 -12.58 15.89 Fe + Fe(OH)2(cr) -3.36 9.42 12.78 Fe(OH)2 + Fe(PO4)(cr) -5.17 -6.56 -1.39 Fe(PO4) + Fe0.932O(s) -3.23 10.28 13.51 Fe0.932O + Fe1.04Se(beta) -19.12 -22.50 -3.38 Fe1.04Se + Fe2(SeO3)3:6H2O(s) -0.54 -42.12 -41.58 Fe2(SeO3)3:6H2O + Fe3O4(s) 11.56 24.16 12.60 Fe3O4 + Fe3Se4(gamma) -49.90 -75.43 -25.53 Fe3Se4 + Fe7Se8(alfa) -127.99 -163.43 -35.44 Fe7Se8 + FeAl2O4(s) 7.18 34.38 27.20 FeAl2O4 + FeF2(cr) -11.22 -13.98 -2.76 FeF2 + FeMoO4(s) 0.40 -7.92 -8.32 FeMoO4 + FeO(s) -3.97 9.42 13.39 FeO + Ferrihydrite(am) 3.45 7.37 3.92 Fe(OH)3 + Ferrihydrite(cr) 6.15 7.37 1.22 Fe(OH)3 + Ferrihydrite(s) 4.59 7.37 2.78 Fe(OH)3 + Ferroselite -14.32 -31.42 -17.10 FeSe2 + Ferrosilite -27.79 4.92 32.71 FeSiO3 + FeS(am) -59.63 -62.58 -2.95 FeS + Fluorapatite 0.60 -0.31 -0.91 Ca5F(PO4)3 + Fluorite -2.17 -12.77 -10.60 CaF2 + Foshagite -36.90 29.06 65.96 Ca4Si3O9(OH)2:0.5H2O + Friedel-salt -27.66 47.27 74.93 Ca4Al2(OH)12Cl2:4H2O + Galena -47.12 -61.96 -14.84 PbS + Gaylussite -16.00 -25.43 -9.43 CaNa2(CO3)2:5H2O + Gibbsite 4.74 12.48 7.74 Al(OH)3 + Gismondine 14.24 53.21 38.97 Ca2Al4Si4O16:9H2O + Glaserite -31.85 -39.46 -7.61 Na2K6(SO4)4 + Glauberite -18.89 -16.92 1.97 Na2Ca(SO4)2 + Glauconite 4.70 6.54 1.84 (K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 + Goethite 7.20 7.37 0.17 FeOOH + GR-Cl -3.24 38.56 41.80 Fe3Fe(OH)8Cl + GR-CO3 1.08 56.58 55.50 Fe4Fe2(OH)12CO3:2H2O + GR-SO4 2.53 60.83 58.30 Fe4Fe2(OH)12SO4 + Greenalite -2.55 19.27 21.82 Fe3Si2O5(OH)4 + Greigite -222.72 -237.75 -15.03 Fe3S4 + Gypsum -2.45 -7.06 -4.61 CaSO4:2H2O + Gyrolite -14.56 7.78 22.34 Ca2Si3O7.5(OH):2H2O + H2(g) -22.00 -22.00 0.00 H2 H2MoO4(s) -4.17 -17.34 -13.17 H2MoO4 - H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -63.99 -71.99 -8.00 H2S - Halite -7.79 -6.20 1.59 NaCl - Halloysite 5.73 16.05 10.32 Al2Si2O5(OH)4 - Hausmannite -7.62 10.71 18.33 Mn3O4 - HBeidellite-Ca 12.61 14.72 2.11 Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O - HBeidellite-K 12.01 14.25 2.24 K0.34Al2.34Si3.66O10(OH)2:1.96H2O - HBeidellite-Mg 12.49 14.73 2.24 Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O - HBeidellite-Na 12.39 14.25 1.86 Na0.34Al2.34Si3.66O10(OH)2:3.84H2O + H2O(g) -1.50 -43.00 -41.50 H2O + H2S(g) -64.00 -72.00 -8.00 H2S + Halite -7.80 -6.21 1.59 NaCl + Halloysite 5.65 15.97 10.32 Al2Si2O5(OH)4 + Hausmannite -7.62 53.70 61.32 Mn3O4 + HBeidellite-Ca 12.46 14.55 2.09 Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O + HBeidellite-K 11.86 14.08 2.22 K0.34Al2.34Si3.66O10(OH)2:1.96H2O + HBeidellite-Mg 12.35 14.56 2.21 Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O + HBeidellite-Na 12.25 14.08 1.83 Na0.34Al2.34Si3.66O10(OH)2:3.84H2O HCl(g) -16.41 -10.12 6.29 HCl - Heazlewoodite -116.92 -91.16 25.76 Ni3S2 - Hematite 17.44 16.42 -1.02 Fe2O3 - Hemicarboaluminate -60.41 112.79 173.20 Ca6O6:Al4O6:CaCO3:Ca(OH)2:21H2O - Herzenbergite -75.35 -91.56 -16.21 SnS - Heulandite_Ca 5.12 7.58 2.46 Ca1.07Al2.14Si6.86O18:6.17H2O - Heulandite_Na 1.77 4.57 2.80 Na2.14Al2.14Si6.86O18:6.17H2O - Hexahydrite -5.39 -7.03 -1.64 Mg(SO4):6H2O - Hf(HPO4)2:H2O(s) 2.78 -18.27 -21.05 Hf(HPO4)2:H2O + Heazlewoodite -116.95 -134.18 -17.23 Ni3S2 + Hematite(cr) 15.57 14.74 -0.83 Fe2O3 + Hematite(s) 14.84 14.74 -0.10 Fe2O3 + Hemicarboaluminate -60.12 113.08 173.20 Ca6O6:Al4O6:CaCO3:Ca(OH)2:21H2O + Herzenbergite -75.36 -91.57 -16.21 SnS + Heulandite_Ca 4.78 7.24 2.46 Ca1.07Al2.14Si6.86O18:6.17H2O + Heulandite_Na 1.44 4.24 2.80 Na2.14Al2.14Si6.86O18:6.17H2O + Hexahydrite -5.40 -7.04 -1.64 Mg(SO4):6H2O + Hf(cr) -133.00 -35.80 97.20 Hf + Hf(HPO4)2:H2O(s) 1.38 -19.67 -21.05 Hf(HPO4)2:H2O HfO2(am) 7.30 8.20 0.90 HfO2 - HfO2(cr) 13.80 8.20 -5.60 HfO2 - Hg2SeO3(s) -6.54 -21.74 -15.20 Hg2SeO3 - HgSeO3(s) -11.92 -28.12 -16.20 HgSeO3 - Hillebrandite -20.11 16.84 36.95 Ca2SiO3(OH)2:0.17H2O - HMontmorillonite-BCCa 6.15 8.35 2.20 Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O - HMontmorillonite-BCK 5.79 7.88 2.09 K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O - HMontmorillonite-BCMg 6.01 8.36 2.35 Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O - HMontmorillonite-BCNa 6.09 7.88 1.79 Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O - HMontmorillonite-HCCa 3.09 9.27 6.18 Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O - HMontmorillonite-HCK 4.16 8.42 4.26 K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O - HMontmorillonite-HCMg 2.77 9.27 6.50 Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O - HMontmorillonite-HCNa 3.86 8.42 4.56 Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O - HNontronite-Ca 10.44 7.61 -2.83 Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O - HNontronite-K 9.83 7.13 -2.70 K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O - HNontronite-Mg 10.14 7.61 -2.53 Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O - HNontronite-Na 10.22 7.13 -3.09 Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O - Ho(cr) -134.54 48.26 182.79 Ho - Ho(OH)3(am) -0.71 16.77 17.48 Ho(OH)3 - Ho(OH)3(s) 1.34 16.77 15.43 Ho(OH)3 - Ho(PO4):xH2O(s) 8.18 3.54 -4.64 Ho(PO4) - Ho2(CO3)3(cr) 0.64 -33.16 -33.80 Ho2(CO3)3 - Ho2O3(s) -13.86 33.55 47.41 Ho2O3 - HoCl3:6H2O(s) -18.98 -13.59 5.39 HoCl3:6H2O - HoF3:0.5H2O(s) -1.87 -18.27 -16.40 HoF3:0.5H2O - HoPO4:H2O(cr) 9.10 3.54 -5.56 HoPO4:H2O - HSaponite-Ca -6.64 21.75 28.39 Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O - HSaponite-FeCa -6.67 21.31 27.98 Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O - HSaponite-FeK -7.27 20.84 28.11 K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O - HSaponite-FeMg -6.75 21.32 28.07 Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O - HSaponite-FeNa -6.88 20.84 27.72 Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O - HSaponite-K -7.25 21.27 28.52 K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O - HSaponite-Mg -6.76 21.75 28.51 Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O - HSaponite-Na -6.86 21.27 28.13 Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O - HVermiculite-Ca -64.54 33.31 97.85 Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:4.45H2O - HVermiculite-K -55.60 32.11 87.71 K0.86Mg3.00Si3.14Al0.86O10(OH)2:1.96H2O - HVermiculite-Mg -34.89 33.32 68.21 Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:4.61H2O - HVermiculite-Na -64.44 32.10 96.55 Na0.86Mg3.00Si3.14Al0.86O10(OH)2:3.84H2O - Hydrocerussite 5.01 -12.90 -17.91 Pb3(CO3)2(OH)2 - Hydrophilite -21.37 -9.60 11.77 CaCl2 + HfO2(cr) 13.82 8.20 -5.62 HfO2 + Hg(CH3)2(g) -135.31 -144.13 -8.82 Hg(CH3)2 + Hg(l) -50.94 -22.09 28.85 Hg + Hg2Cl2(s) 6.21 -11.64 -17.85 Hg2Cl2 + Hg3(PO4)2(s) -15.13 -28.14 -13.01 Hg3(PO4)2 + HgCl2(s) -5.77 -20.34 -14.57 HgCl2 + HgCO3:2HgO(s) -10.75 -22.23 -11.48 HgCO3:2HgO + HgHPO4(s) -6.87 -14.03 -7.16 HgHPO4 + HgO(s) -2.46 -0.09 2.37 HgO + Hillebrandite -20.17 16.78 36.95 Ca2SiO3(OH)2:0.17H2O + HMontmorillonite-BCCa 5.98 8.16 2.18 Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O + HMontmorillonite-BCK 5.61 7.68 2.07 K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O + HMontmorillonite-BCMg 5.83 8.16 2.33 Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O + HMontmorillonite-BCNa 5.91 7.68 1.77 Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O + HMontmorillonite-HCCa 2.92 9.07 6.15 Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O + HMontmorillonite-HCK 3.98 8.22 4.24 K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O + HMontmorillonite-HCMg 2.60 9.07 6.47 Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O + HMontmorillonite-HCNa 3.68 8.22 4.54 Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O + HNontronite-Ca 8.91 6.02 -2.89 Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O + HNontronite-K 5.16 5.54 0.38 K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O + HNontronite-Mg 8.61 6.02 -2.59 Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O + HNontronite-Na 8.68 5.54 -3.14 Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O + Ho(cr) -134.39 -16.08 118.31 Ho + Ho(OH)3(am) -0.56 16.92 17.48 Ho(OH)3 + Ho(OH)3(s) 1.49 16.92 15.43 Ho(OH)3 + Ho(PO4):xH2O(s) 7.63 2.99 -4.64 Ho(PO4) + Ho2(CO3)3(s) 1.79 -32.01 -33.80 Ho2(CO3)3 + Ho2O3(s) -13.57 33.84 47.41 Ho2O3 + HoCl3:6H2O(s) -18.84 -13.45 5.39 HoCl3:6H2O + HoF3:0.5H2O(s) -1.79 -18.19 -16.40 HoF3:0.5H2O + HoPO4:H2O(cr) 8.54 2.98 -5.56 HoPO4:H2O + HSaponite-Ca -6.81 21.55 28.36 Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O + HSaponite-FeCa -7.65 20.32 27.97 Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O + HSaponite-FeK -8.27 19.84 28.11 K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O + HSaponite-FeMg -7.75 20.32 28.07 Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O + HSaponite-FeNa -7.88 19.84 27.72 Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O + HSaponite-K -7.42 21.07 28.49 K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O + HSaponite-Mg -6.93 21.55 28.48 Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O + HSaponite-Na -6.96 21.07 28.03 Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O + HVermiculite-Ca -64.68 33.14 97.82 Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:4.45H2O + HVermiculite-K -55.74 31.94 87.68 K0.86Mg3.00Si3.14Al0.86O10(OH)2:1.96H2O + HVermiculite-Mg -35.03 33.15 68.18 Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:4.61H2O + HVermiculite-Na -64.59 31.93 96.52 Na0.86Mg3.00Si3.14Al0.86O10(OH)2:3.84H2O + Hydrocerussite 4.15 -13.76 -17.91 Pb3(CO3)2(OH)2 + Hydrophilite -21.38 -9.61 11.77 CaCl2 Hydrotalcite -6.17 67.57 73.74 Mg4Al2(OH)14:3H2O - Hydrotalcite-CO3 -5.52 45.34 50.86 Mg4Al2(OH)12CO3:2H2O - Hydroxyapatite -0.84 13.51 14.35 Ca5(OH)(PO4)3 - Illite-Al 11.85 24.87 13.02 K0.85Al2.85Si3.15O10(OH)2 - Illite-FeII 10.63 20.08 9.45 K0.85Fe0.25Al2.35Si3.4O10(OH)2 - illite-FeIII 11.44 23.81 12.37 K0.85Fe0.25Al2.6Si3.15O10(OH)2 - Illite-Mg 9.18 20.19 11.01 K0.85Mg0.25Al2.35Si3.4O10(OH)2 - Illite-Smec_ISCz-1(2.996H2O) 2.85 16.50 13.65 (Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.996H2O - Illite/smectiteISCz-1 6.14 17.04 10.90 (Ca0.092K0.439)(Si3.559Al0.441)(Al1.728Fe0.011Fe0.034Mg0.255)O10(OH)2 - Illite_Imt-2 7.83 19.37 11.54 (Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2 - Jaffeite -59.09 54.97 114.06 Ca6(Si2O7)(OH)6 - Jennite -78.22 69.11 147.33 Ca9Si6O16(OH)10:6(H2O) - K(cr) -56.57 14.41 70.99 K - K(NO3)(s) -23.89 -23.99 -0.10 K(NO3) - K(OH)(s) -20.68 3.92 24.60 K(OH) - K(TcO4)(s) -3.89 -6.17 -2.28 K(TcO4) - K-carbonate -17.43 -14.40 3.03 K2CO3:1.5H2O - K-trona -23.62 -32.72 -9.10 K2NaH(CO3)2:2H2O - K2CO3(cr) -19.81 -14.40 5.41 K2CO3 + Hydrotalcite-CO3 -5.24 45.62 50.86 Mg4Al2(OH)12CO3:2H2O + Hydroxyapatite -2.96 11.39 14.35 Ca5(OH)(PO4)3 + I2(cr) -20.69 -2.57 18.12 I2 + Illite-Al 11.71 24.73 13.02 K0.85Al2.85Si3.15O10(OH)2 + Illite-FeII 10.26 19.72 9.46 K0.85Fe0.25Al2.35Si3.4O10(OH)2 + Illite-FeIII 11.10 23.46 12.36 K0.85Fe0.25Al2.6Si3.15O10(OH)2 + Illite-Mg 9.02 20.03 11.01 K0.85Mg0.25Al2.35Si3.4O10(OH)2 + Illite-Smec_ISCz-1(2.996H2O) 2.67 16.28 13.61 (Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.996H2O + Illite/smectite 5.94 16.83 10.89 (Ca0.092K0.439)(Si3.559Al0.441)(Al1.728Fe0.011Fe0.034Mg0.255)O10(OH)2 + Illite_Imt-2 7.38 18.90 11.52 (Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2 + Jaffeite -59.23 54.83 114.06 Ca6(Si2O7)(OH)6 + Jennite -78.57 68.76 147.33 Ca9Si6O16(OH)10:6H2O + K(cr) -56.58 -7.09 49.49 K + K(NO3)(s) -23.72 -23.82 -0.10 K(NO3) + K(OH)(s) -20.69 3.91 24.60 K(OH) + K-Boltwoodite 1.04 5.52 4.48 K(UO2)(SiO3OH):H2O + K-carbonate -17.15 -14.12 3.03 K2CO3:1.5H2O + K-trona -23.05 -32.15 -9.10 K2NaH(CO3)2:2H2O + K2CO3(cr) -19.53 -14.12 5.41 K2CO3 K2O(s) -76.28 7.83 84.11 K2O - K4NpO2(CO3)3(s) -29.32 -55.72 -26.40 K4NpO2(CO3)3 - Kainite -13.04 -13.23 -0.19 KMgCl(SO4):3H2O - KAl(SO4)2(s) -22.71 -18.97 3.74 KAl(SO4)2 - KAl(SO4)2:12H2O(s) -12.30 -18.98 -6.68 KAl(SO4)2:12H2O - Kalicinite -8.26 -18.32 -10.06 KHCO3 - Kaolinite 9.54 16.05 6.51 Al2(Si2O5)(OH)4 - Katoite -18.73 52.43 71.16 Ca3Al2(SiO4)(OH)8 + K3NpO2(CO3)2(cr) -12.78 -28.24 -15.46 K3NpO2(CO3)2 + K4NpO2(CO3)3(cr) -27.94 -54.87 -26.93 K4NpO2(CO3)3 + Kainite -13.06 -13.25 -0.19 KMgCl(SO4):3H2O + KAl(OH)4 -7.82 16.40 24.22 KAl(OH)4 + KAl(SO4)2(s) -22.73 -18.99 3.74 KAl(SO4)2 + KAl(SO4)2:12H2O(s) -12.32 -19.00 -6.68 KAl(SO4)2:12H2O + Kalicinite -7.97 -18.03 -10.06 KHCO3 + Kaolinite 9.47 15.97 6.50 Al2(Si2O5)(OH)4 + Katoite -18.78 52.38 71.16 Ca3Al2(SiO4)(OH)8 KBr(s) -7.53 -6.40 1.13 KBr - KFe(CrO4)2:2H2O(s) -27.07 -46.46 -19.39 KFe(CrO4)2:2H2O - KFe3(CrO4)2(OH)6(cr) -11.64 -30.04 -18.40 KFe3(CrO4)2(OH)6 - KH2PO4(cr) -8.95 -9.32 -0.37 KH2PO4 + KFe(CrO4)2:2H2O(s) -27.92 -47.31 -19.39 KFe(CrO4)2:2H2O + KFe3(CrO4)2(OH)6(cr) -14.16 -32.56 -18.40 KFe3(CrO4)2(OH)6 + KH2PO4 -9.58 -10.02 -0.44 KH2PO4 + KH2PO4(cr) -9.65 -10.02 -0.37 KH2PO4 KI(s) -10.11 -8.37 1.74 KI - Lanarkite 0.74 3.37 2.63 PbSO4:PbO - Lansfordite -6.54 -11.58 -5.04 Mg(CO3):5H2O - Laumontite 6.11 17.81 11.70 CaAl2Si4O12:4H2O - Laurionite -0.22 0.40 0.62 PbClOH - Lawrencite -18.91 -10.02 8.89 FeCl2 - Leonhardtite -6.14 -7.03 -0.89 MgSO4:4H2O - Leonite -12.89 -16.87 -3.98 K2Mg(SO4)2:4H2O - Lepidocrocite 7.46 8.21 0.75 FeOOH - Linnaeite -191.24 -276.99 -85.75 Co3S4 - Litharge -2.11 10.52 12.63 PbO - Lizardite -10.02 23.08 33.10 Mg3Si2O5(OH)4 - Mackinawite -58.17 -61.77 -3.60 FeS - Maghemite(disord) 13.11 16.42 3.31 Fe2O3 - Maghemite(ord) 12.90 16.42 3.52 Fe2O3 - Magnesite(nat) -2.67 -11.58 -8.91 MgCO3 - Magnesite(syn) -3.48 -11.58 -8.10 Mg(CO3) - Magnetite 16.23 26.64 10.41 Fe3O4 - Manganite -3.70 0.07 3.77 MnOOH - Margarite 14.64 51.64 37.00 CaAl4Si2O10(OH)2 - Massicot -2.22 10.52 12.74 PbO - Melanterite -5.25 -7.46 -2.21 FeSO4:7H2O - Mercallite -12.37 -13.77 -1.40 KHSO4 - Merlinoite_K -1.16 8.33 9.49 K1.04Al1.04Si1.96O6:1.69H2O - Merlinoite_Na -1.97 8.33 10.30 Na1.04Al1.04Si1.96O6:2.27H2O - Mg(cr) -91.12 31.65 122.77 Mg - Mg(HPO4):3H2O(s) -3.99 -2.58 1.41 Mg(HPO4):3H2O - Mg(NO3)2(s) -60.65 -45.15 15.50 Mg(NO3)2 - Mg(NO3)2:6H2O(s) -47.73 -45.15 2.58 Mg(NO3)2:6H2O - Mg(SeO3):6H2O(s) -9.24 -15.06 -5.82 Mg(SeO3):6H2O - Mg(SeO4):6H2O(s) -19.96 -21.10 -1.13 Mg(SeO4):6H2O - Mg(SO4)(s) -16.12 -7.02 9.10 Mg(SO4) - Mg(SO4):H2O(s) -6.90 -7.02 -0.12 Mg(SO4):H2O - Mg-oxychlorur -14.84 11.19 26.03 Mg2Cl(OH)3:4H2O - Mg3(PO4)2(cr) -10.32 5.50 15.82 Mg3(PO4)2 - Mg3(PO4)2:22H2O(s) -10.50 5.50 16.00 Mg3(PO4)2:22H2O - Mg3(PO4)2:8H2O(s) -8.40 5.50 13.90 Mg3(PO4)2:8H2O - Mg5(CO3)4(OH)2:4H2O(s) -25.35 -35.66 -10.31 Mg5(CO3)4(OH)2:4H2O + KNpO2CO3(cr) -0.97 -14.12 -13.15 KNpO2CO3 + KTcO4(cr) -3.88 -6.17 -2.29 KTcO4 + Lanarkite -0.23 2.40 2.63 PbSO4:PbO + Langite 3.94 21.43 17.49 Cu4SO4(OH)6:H2O + Lansfordite -6.26 -11.30 -5.04 Mg(CO3):5H2O + Laumontite 5.94 17.61 11.67 CaAl2Si4O12:4H2O + Laurionite -0.70 -0.08 0.62 PbClOH + Lawrencite -19.76 -10.83 8.93 FeCl2 + Leonhardtite -6.15 -7.04 -0.89 MgSO4:4H2O + Leonite -12.93 -16.91 -3.98 K2Mg(SO4)2:4H2O + Lepidocrocite 5.51 7.37 1.86 FeOOH + Li(cr) -58.40 -7.08 51.32 Li + Liebigite -6.17 -38.47 -32.30 Ca2UO2(CO3)3:10H2O + Linnaeite -191.30 -234.06 -42.76 Co3S4 + Litharge -2.58 10.05 12.63 PbO + Lizardite -10.12 22.96 33.08 Mg3Si2O5(OH)4 + Mackinawite -59.39 -62.58 -3.19 FeS + Maghemite 11.95 14.74 2.79 Fe2O3 + Magnesite(nat) -2.39 -11.30 -8.91 MgCO3 + Magnesite(syn) -3.20 -11.30 -8.10 Mg(CO3) + Magnetite 13.82 24.16 10.34 Fe3O4 + Malachite 2.79 -2.39 -5.18 Cu2CO3(OH)2 + Manganite -3.70 21.57 25.27 MnOOH + Margarite 14.58 51.57 36.99 CaAl4Si2O10(OH)2 + Massicot -2.69 10.05 12.74 PbO + Melanterite -5.99 -8.27 -2.28 FeSO4:7H2O + Mercallite -12.38 -13.78 -1.40 KHSO4 + Merlinoite_K -1.23 8.24 9.47 K1.04Al1.04Si1.96O6:1.69H2O + Merlinoite_Na -2.05 8.24 10.29 Na1.04Al1.04Si1.96O6:2.27H2O + Metacinnabar -33.57 -72.10 -38.53 HgS + Metaschoepite 0.75 6.10 5.35 UO3:2H2O + Mg(cr) -91.13 -11.35 79.78 Mg + Mg(HPO4):3H2O(s) -4.69 -3.28 1.41 Mg(HPO4):3H2O + Mg(NO3)2(s) -60.32 -44.82 15.50 Mg(NO3)2 + Mg(NO3)2:6H2O(s) -47.40 -44.82 2.58 Mg(NO3)2:6H2O + Mg(SeO3):6H2O(s) -2.48 -8.30 -5.82 Mg(SeO3):6H2O + Mg(SeO4):6H2O(s) -13.21 -14.34 -1.13 Mg(SeO4):6H2O + Mg(SO4)(s) -16.14 -7.04 9.10 Mg(SO4) + Mg(SO4):H2O(s) -6.92 -7.04 -0.12 Mg(SO4):H2O + Mg-oxychlorur -14.85 11.18 26.03 Mg2Cl(OH)3:4H2O + Mg3(PO4)2(cr) -11.73 4.09 15.82 Mg3(PO4)2 + Mg3(PO4)2:22H2O(s) -11.92 4.08 16.00 Mg3(PO4)2:22H2O + Mg3(PO4)2:8H2O(s) -9.81 4.09 13.90 Mg3(PO4)2:8H2O + Mg5(CO3)4(OH)2:4H2O(s) -24.22 -34.53 -10.31 Mg5(CO3)4(OH)2:4H2O MgBr2(s) -37.78 -9.98 27.80 MgBr2 MgBr2:6H2O(s) -15.20 -9.98 5.22 MgBr2:6H2O - MgCl2(s) -31.61 -9.58 22.03 MgCl2 - MgCl2:2H2O(s) -22.48 -9.58 12.90 MgCl2:2H2O - MgCl2:4H2O(s) -17.02 -9.58 7.44 MgCl2:4H2O - MgCl2:H2O(s) -25.80 -9.58 16.22 MgCl2:H2O - MgCrO4(s) 68.35 -18.64 -86.99 MgCrO4 - MgF2(cr) -3.48 -12.70 -9.22 MgF2 + MgCl2(s) -31.62 -9.59 22.03 MgCl2 + MgCl2:2H2O(s) -22.50 -9.60 12.90 MgCl2:2H2O + MgCl2:4H2O(s) -17.04 -9.60 7.44 MgCl2:4H2O + MgCl2:H2O(s) -25.81 -9.59 16.22 MgCl2:H2O + MgCr2O4(s) 11.13 33.30 22.17 MgCr2O4 + MgF2(cr) -3.53 -12.75 -9.22 MgF2 MgI2(s) -48.92 -13.92 35.00 MgI2 - MgMoO4(s) -6.04 -6.68 -0.64 MgMoO4 - Microcline 3.00 3.05 0.05 KAlSi3O8 - Millerite -51.25 -61.38 -10.13 NiS - Minium -19.96 10.58 30.54 Pb3O4 - Minnesotaite -2.05 12.88 14.93 Fe3Si4O10(OH)2 - Mirabilite -8.62 -9.85 -1.23 Na2SO4:10H2O - Mn(H2SiO4)(s) -6.32 6.12 12.44 Mn(H2SiO4) - Mn(HPO4)(s) 3.07 -2.67 -5.74 Mn(HPO4) - Mn(SeO3):2H2O(cr) -7.55 -15.15 -7.60 Mn(SeO3):2H2O - Mn(SO4)(s) -4.43 -7.11 -2.68 Mn(SO4) - Mn3(PO4)2(s) -10.09 5.23 15.32 Mn3(PO4)2 - Mn3(PO4)2:3H2O(s) 2.91 5.23 2.32 Mn3(PO4)2:3H2O - MnCl2:2H2O(s) -13.65 -9.67 3.98 MnCl2:2H2O - MnCl2:4H2O(s) -12.38 -9.67 2.71 MnCl2:4H2O - MnCl2:H2O(s) -15.20 -9.67 5.53 MnCl2:H2O + MgMoO4(s) -6.05 -6.69 -0.64 MgMoO4 + Microcline 2.85 2.91 0.05 KAlSi3O8 + Millerite -51.27 -61.40 -10.13 NiS + Minium -21.39 52.14 73.53 Pb3O4 + Minnesotaite -4.71 10.28 14.99 Fe3Si4O10(OH)2 + Mirabilite -8.64 -9.87 -1.23 Na2SO4:10H2O + Mn(cr) -51.42 -11.43 39.99 Mn + Mn(H2SiO4)(s) -6.37 6.07 12.44 Mn(H2SiO4) + Mn(HPO4)(s) 2.38 -3.36 -5.74 Mn(HPO4) + Mn(SeO3):2H2O(cr) -0.79 -8.39 -7.60 Mn(SeO3):2H2O + Mn(SO4)(s) -4.45 -7.13 -2.68 Mn(SO4) + Mn3(PO4)2(s) -11.48 3.84 15.32 Mn3(PO4)2 + Mn3(PO4)2:3H2O(s) 1.52 3.84 2.32 Mn3(PO4)2:3H2O + MnCl2:2H2O(s) -13.66 -9.68 3.98 MnCl2:2H2O + MnCl2:4H2O(s) -12.39 -9.68 2.71 MnCl2:4H2O + MnCl2:H2O(s) -15.21 -9.68 5.53 MnCl2:H2O MnO(s) -7.33 10.57 17.90 MnO - MnO2(s) -9.43 -10.42 -0.99 MnO2 - MnSe(alfa) -27.91 -27.61 0.30 MnSe - MnSe2(cr) -35.65 -86.79 -51.14 MnSe2 - Mo(s) -63.75 45.64 109.39 Mo - Mo3O8(s) -10.44 -31.01 -20.57 Mo3O8 - Monocarboaluminate -25.02 45.28 70.30 (CaO)3Al2O3:CaCO3:10.68H2O - Monosulfate-Fe -24.74 41.31 66.05 Ca4Fe2(SO4)(OH)12:6H2O - Monosulfoaluminate -23.24 49.83 73.07 Ca4Al2(SO4)(OH)12:6H2O - Montmorillonite-BCCa 4.16 8.36 4.20 Ca0.17Mg0.34Al1.66Si4O10(OH)2 - Montmorillonite-BCK 5.07 7.88 2.81 K0.34Mg0.34Al1.66Si4O10(OH)2 - Montmorillonite-BCMg 4.67 8.36 3.69 Mg0.17Mg0.34Al1.66Si4O10(OH)2 - Montmorillonite-BCNa 4.49 7.88 3.39 Na0.34Mg0.34Al1.66Si4O10(OH)2 - Montmorillonite-HCCa 2.38 9.27 6.89 Ca0.3Mg0.6Al1.4Si4O10(OH)2 - Montmorillonite-HCK 3.99 8.42 4.43 K0.6Mg0.6Al1.4Si4O10(OH)2 - Montmorillonite-HCMg 3.29 9.27 5.98 Mg0.3Mg0.6Al1.4Si4O10(OH)2 - Montmorillonite-HCNa 2.97 8.42 5.45 Na0.6Mg0.6Al1.4Si4O10(OH)2 - MoO2(s) -9.45 3.66 13.11 MoO2 + MnO2(s) -9.43 32.57 42.00 MnO2 + MnSe(alfa) -21.18 -20.85 0.33 MnSe + MnSe2(cr) -22.16 -30.28 -8.12 MnSe2 + Mo(cr) -63.76 -83.34 -19.58 Mo + Mo3O8(s) -10.46 -74.02 -63.56 Mo3O8 + Monocarboaluminate -24.74 45.56 70.30 (CaO)3Al2O3:CaCO3:10.68H2O + Monosulfate-Fe -26.45 39.60 66.05 Ca4Fe2(SO4)(OH)12:6H2O + Monosulfoaluminate -23.25 49.82 73.07 Ca4Al2(SO4)(OH)12:6H2O + Montmorillonite-BCCa 3.96 8.16 4.20 Ca0.17Mg0.34Al1.66Si4O10(OH)2 + Montmorillonite-BCK 4.87 7.68 2.81 K0.34Mg0.34Al1.66Si4O10(OH)2 + Montmorillonite-BCMg 4.47 8.16 3.69 Mg0.17Mg0.34Al1.66Si4O10(OH)2 + Montmorillonite-BCNa 4.29 7.68 3.39 Na0.34Mg0.34Al1.66Si4O10(OH)2 + Montmorillonite-HCCa 2.18 9.07 6.89 Ca0.3Mg0.6Al1.4Si4O10(OH)2 + Montmorillonite-HCK 3.80 8.23 4.43 K0.6Mg0.6Al1.4Si4O10(OH)2 + Montmorillonite-HCMg 3.09 9.07 5.98 Mg0.3Mg0.6Al1.4Si4O10(OH)2 + Montmorillonite-HCNa 2.78 8.23 5.45 Na0.6Mg0.6Al1.4Si4O10(OH)2 + MoO2(s) -9.46 -39.34 -29.88 MoO2 MoO3(s) -5.36 -17.34 -11.98 MoO3 - Mordenite_Ca -0.85 -3.77 -2.92 Ca0.515Al1.03Si4.97O12:3.1H2O - Mordenite_Oregon -2.12 -6.28 -4.16 Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O - MoS2(s) -113.41 -140.33 -26.92 MoS2 - MoS3(s) -165.24 -233.31 -68.07 MoS3 - Muscovite 14.96 28.00 13.04 KAl3Si3O10(OH)2 - Na(cr) -52.97 14.41 67.38 Na - Na(NO3)(s) -25.08 -23.99 1.09 Na(NO3) - Na(TcO4):4H2O(s) -6.96 -6.17 0.79 Na(TcO4):4H2O - Na2(CO3)(cr) -15.52 -14.40 1.12 Na2(CO3) - Na2B4O7(cr) -29.23 -45.29 -16.06 Na2B4O7 - Na2B4O7:10H2O(s) -20.71 -45.29 -24.58 Na2B4O7:10H2O - Na2CO3:7H2O(s) -13.94 -14.40 -0.46 Na2CO3:7H2O - Na2HPO4(cr) -14.64 -5.40 9.24 Na2HPO4 + Mordenite_Ca -1.10 -4.02 -2.92 Ca0.515Al1.03Si4.97O12:3.1H2O + Mordenite_Oregon -2.35 -6.53 -4.18 Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O + MoS2(s) -113.44 -183.35 -69.91 MoS2 + MoS3(s) -165.28 -233.35 -68.07 MoS3 + Muscovite 14.85 27.87 13.02 KAl3Si3O10(OH)2 + N2(g) 44.98 -165.47 -210.45 N2 + Na(cr) -52.98 -7.09 45.89 Na + Na(NO3)(s) -24.91 -23.82 1.09 Na(NO3) + Na-Boltwoodite -0.29 5.52 5.81 Na(UO2)(SiO3OH):H2O + Na2(CO3)(cr) -15.24 -14.12 1.12 Na2(CO3) + Na2B4O7(cr) -28.72 -44.78 -16.06 Na2B4O7 + Na2B4O7:10H2O(s) -20.21 -44.79 -24.58 Na2B4O7:10H2O + Na2CO3:7H2O(s) -13.66 -14.12 -0.46 Na2CO3:7H2O + Na2HPO4(cr) -15.34 -6.10 9.24 Na2HPO4 + Na2Np2O7(cr) -26.73 -1.53 25.20 Na2Np2O7 Na2O(cr) -59.63 7.83 67.46 Na2O - Na2ZrSi2O7(cr) -7.80 -4.06 3.74 Na2ZrSi2O7 - Na2ZrSi3O9:2H2O(cr) -24.08 -8.50 15.58 Na2ZrSi3O9:2H2O - Na2ZrSi4O11(cr) 0.61 -12.95 -13.56 Na2ZrSi4O11 - Na2ZrSi6O15:3H2O(cr) -38.30 -21.84 16.46 Na2ZrSi6O15:3H2O - Na2ZrSiO5(cr) -12.80 0.39 13.19 Na2ZrSiO5 - Na3PO4(cr) -25.01 -1.49 23.52 Na3PO4 - Na4Zr2Si3O12(cr) -19.18 -3.67 15.51 Na4Zr2Si3O12 - Na6Th(CO3)5:12H2O(cr) -33.07 -75.27 -42.20 Na6Th(CO3)5:12H2O - NaAmO2CO3(s) -26.92 -37.82 -10.90 NaAmO2CO3 - NaBO2(s) -12.98 -9.36 3.62 NaBO2 - NaCm(CO3)2:5H2O(s) -2.69 -23.69 -21.00 NaCm(CO3)2:5H2O - NaEu(CO3)2:5H2O(s) -2.77 -23.67 -20.90 NaEu(CO3)2:5H2O - NaF(s) -7.28 -7.76 -0.48 NaF - NaH2PO4(cr) -11.62 -9.32 2.30 NaH2PO4 - Nahcolite -7.58 -18.32 -10.74 Na(HCO3) - NaHo(CO3)2:5H2O(s) -3.28 -23.78 -20.50 NaHo(CO3)2:5H2O + Na2U2O7:H2O(cr) -4.38 20.02 24.40 Na2U2O7:H2O + Na2ZrSi2O7(cr) -7.90 -4.16 3.74 Na2ZrSi2O7 + Na2ZrSi3O9:2H2O(cr) -24.24 -8.66 15.58 Na2ZrSi3O9:2H2O + Na2ZrSi4O11(cr) 0.40 -13.16 -13.56 Na2ZrSi4O11 + Na2ZrSi6O15:3H2O(cr) -38.61 -22.15 16.46 Na2ZrSi6O15:3H2O + Na2ZrSiO5(cr) -12.86 0.33 13.19 Na2ZrSiO5 + Na3NpO2(CO3)2(cr) -14.02 -28.24 -14.22 Na3NpO2(CO3)2 + Na3PO4(cr) -25.71 -2.19 23.52 Na3PO4 + Na4Zr2Si3O12(cr) -19.33 -3.83 15.50 Na4Zr2Si3O12 + Na6Th(CO3)5:12H2O(cr) -31.65 -73.85 -42.20 Na6Th(CO3)5:12H2O + NaAm(CO3)2:5H2O(s) -2.10 -23.10 -21.00 NaAm(CO3)2:5H2O + NaAmO2CO3(s) -26.62 -37.52 -10.90 NaAmO2CO3 + NaBO2(s) -12.86 -9.24 3.62 NaBO2 + NaCm(CO3)2:5H2O(s) -2.16 -23.10 -20.94 NaCm(CO3)2:5H2O + NaEu(CO3)2:5H2O(s) -2.43 -23.03 -20.60 NaEu(CO3)2:5H2O + NaF(s) -7.31 -7.79 -0.48 NaF + NaH2PO4(cr) -12.32 -10.02 2.30 NaH2PO4 + Nahcolite -7.29 -18.03 -10.74 Na(HCO3) + NaHo(CO3)2:5H2O(s) -3.10 -23.07 -19.97 NaHo(CO3)2:5H2O NaNbO3(s) -2.52 -6.18 -3.66 NaNbO3 - NaSm(CO3)2:5H2O(s) -2.65 -23.64 -20.99 NaSm(CO3)2:5H2O - Natrolite 0.11 19.44 19.33 Na2(Al2Si3)O10:2H2O - Natron -13.58 -14.41 -0.83 Na2(CO3):10H2O - Nb(cr) -106.92 42.38 149.30 Nb - Nb2O5(s) 8.19 -20.19 -28.38 Nb2O5 - Nesquehonite -6.48 -11.58 -5.10 Mg(CO3):3H2O - Ni(BO2)2(s) -7.25 -15.95 -8.70 Ni(BO2)2 - Ni(CO3):5.5H2O(cr) -4.10 -11.62 -7.52 Ni(CO3):5.5H2O - Ni(IO3)2(beta) -100.65 -105.08 -4.43 Ni(IO3)2 - Ni(IO3)2:2H2O(cr) -99.94 -105.08 -5.14 Ni(IO3)2:2H2O + NaNpO2CO3:3.5H2O(cr) -3.13 -14.13 -11.00 NaNpO2CO3:3.5H2O + NaSm(CO3)2:5H2O(s) -2.02 -23.01 -20.99 NaSm(CO3)2:5H2O + NaTcO4:4H2O(s) -6.96 -6.17 0.79 NaTcO4:4H2O + Natrolite -0.01 19.30 19.31 Na2(Al2Si3)O10:2H2O + Natron -13.29 -14.12 -0.83 Na2(CO3):10H2O + Nb(cr) -106.92 -65.10 41.82 Nb + Nb2O5(s) 8.18 -20.20 -28.38 Nb2O5 + Nesquehonite -6.20 -11.30 -5.10 Mg(CO3):3H2O + Ni(BO2)2(s) -7.00 -15.70 -8.70 Ni(BO2)2 + Ni(CO3)(cr) -0.35 -11.34 -10.99 Ni(CO3) + Ni(CO3):5.5H2O(cr) -3.82 -11.34 -7.52 Ni(CO3):5.5H2O + Ni(cr) -19.41 -11.39 8.02 Ni + Ni(IO3)2(beta) -100.66 -105.09 -4.43 Ni(IO3)2 + Ni(IO3)2:2H2O(cr) -99.95 -105.09 -5.14 Ni(IO3)2:2H2O Ni(OH)2(s) -0.42 10.61 11.03 Ni(OH)2 - Ni(s) -19.41 31.60 51.01 Ni - Ni(SeO3):2H2O(cr) -9.30 -15.10 -5.80 Ni(SeO3):2H2O - Ni(SeO4):6H2O(s) -19.76 -21.14 -1.38 Ni(SeO4):6H2O - Ni(SO4)(cr) -11.82 -7.07 4.75 Ni(SO4) - Ni(SO4):6H2O(s) -4.82 -7.07 -2.25 Ni(SO4):6H2O - Ni(SO4):7H2O(s) -4.80 -7.07 -2.27 Ni(SO4):7H2O - Ni0.88Se(cr) -13.44 -31.36 -17.92 Ni0.88Se - Ni11As8(cr) -340.50 534.27 874.76 Ni11As8 - Ni3(AsO3)2(s) -18.97 15.53 34.50 Ni3(AsO3)2 - Ni3(AsO4)2:8H2O(s) 1.64 -26.46 -28.10 Ni3(AsO4)2:8H2O - Ni3(PO4)2(cr) -4.88 5.37 10.25 Ni3(PO4)2 - Ni5As2(cr) -118.50 204.67 323.17 Ni5As2 - NiAs(cr) -39.29 54.93 94.22 NiAs + Ni(SeO3):2H2O(cr) -2.55 -8.35 -5.80 Ni(SeO3):2H2O + Ni(SeO4):6H2O(s) -13.01 -14.39 -1.38 Ni(SeO4):6H2O + Ni(SiO3)(s) 7.89 6.11 -1.78 Ni(SiO3) + Ni(SO4)(cr) -11.84 -7.09 4.75 Ni(SO4) + Ni(SO4):6H2O(s) -4.84 -7.09 -2.25 Ni(SO4):6H2O + Ni(SO4):7H2O(s) -4.82 -7.09 -2.27 Ni(SO4):7H2O + Ni0.88Se(cr) -6.69 -19.45 -12.76 Ni0.88Se + Ni11As8(cr) -340.54 -798.47 -457.93 Ni11As8 + Ni3(AsO3)2(s) -18.99 -70.47 -51.48 Ni3(AsO3)2 + Ni3(AsO4)2:8H2O(s) 1.63 -26.47 -28.10 Ni3(AsO4)2:8H2O + Ni3(PO4)2(cr) -6.29 3.96 10.25 Ni3(PO4)2 + Ni3O4(s) -11.68 53.82 65.50 Ni3O4 + Ni5As2(cr) -118.52 -225.25 -106.73 Ni5As2 + NiAs(cr) -39.30 -95.54 -56.24 NiAs NiBr2(s) -20.19 -10.02 10.17 NiBr2 - NiCl2(s) -18.30 -9.63 8.67 NiCl2 - NiCl2:2H2O(s) -14.55 -9.63 4.92 NiCl2:2H2O - NiCl2:4H2O(s) -13.45 -9.63 3.82 NiCl2:4H2O - NiCl2:6H2O(s) -12.67 -9.63 3.04 NiCl2:6H2O - NiF2(s) -12.57 -12.75 -0.18 NiF2 + NiCl2(s) -18.31 -9.64 8.67 NiCl2 + NiCl2:2H2O(s) -14.56 -9.64 4.92 NiCl2:2H2O + NiCl2:4H2O(s) -13.46 -9.64 3.82 NiCl2:4H2O + NiCl2:6H2O(s) -12.68 -9.64 3.04 NiCl2:6H2O + NiF2(s) -12.62 -12.80 -0.18 NiF2 NiI2(s) -23.57 -13.96 9.61 NiI2 - NiSe2(cr) -16.85 -86.74 -69.89 NiSe2 - Nontronite-Ca 10.44 7.61 -2.83 Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 - Nontronite-K 11.13 7.13 -4.00 K0.34Fe1.67Al0.67Si3.66O10(OH)2 - Nontronite-Mg 10.98 7.61 -3.37 Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 - Nontronite-Na 10.63 7.13 -3.50 Na0.34Fe1.67Al0.67Si3.66O10(OH)2 - Nontronite_Nau-2 10.77 12.12 1.35 Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 - Np(CO3)(OH)(s) -20.35 -26.41 -6.06 Np(CO3)(OH) - Np(cr) -127.03 27.31 154.33 Np - Np(HPO4)2(s) -7.29 -23.35 -16.06 Np(HPO4)2 + NiSe2(cr) -3.34 -30.24 -26.90 NiSe2 + Nontronite-Ca 8.88 6.02 -2.86 Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 + Nontronite-K 9.57 5.54 -4.03 K0.34Fe1.67Al0.67Si3.66O10(OH)2 + Nontronite-Mg 9.43 6.02 -3.41 Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 + Nontronite-Na 9.07 5.54 -3.53 Na0.34Fe1.67Al0.67Si3.66O10(OH)2 + Nontronite_Nau-2 9.23 10.53 1.30 Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 + Np(cr) -127.03 -37.18 89.85 Np + Np(HPO4)2(s) -8.69 -24.75 -16.06 Np(HPO4)2 Np(OH)3(s) -22.18 -4.18 18.00 Np(OH)3 - Np2O5(cr) 4.12 7.82 3.70 Np2O5 - NpO2(CO3)(s) -12.31 -26.91 -14.60 NpO2(CO3) - NpO2(CO3)2Na3(s) -14.59 -28.81 -14.22 NpO2(CO3)2Na3 - NpO2(CO3)Na:3.5H2O(s) -3.41 -14.41 -11.00 NpO2(CO3)Na:3.5H2O - NpO2(NH4)4(CO3)3(s) -68.18 -94.99 -26.81 NpO2(NH4)4(CO3)3 - NpO2(s) 12.87 3.12 -9.75 NpO2 + Np2O5(cr) 4.75 7.82 3.07 Np2O5 + NpCO3OH(s) -19.78 -26.13 -6.35 Np(CO3)(OH) + NpO2(cr) 12.87 3.12 -9.75 NpO2 + NpO2(OH)2:H2O(cr) -10.15 -4.68 5.47 NpO2(OH)2:H2O NpO2:2H2O(am) 3.82 3.12 -0.70 NpO2:2H2O - NpO2OH(am,aged) -0.79 3.91 4.70 NpO2OH - NpO2OH(am,fresh) -1.39 3.91 5.30 NpO2OH - NpO3:H2O(cr) -10.15 -4.68 5.47 NpO3:H2O - O2(g) -39.08 -41.98 -2.90 O2 - Okenite -7.43 1.75 9.18 CaSi2O5:2H2O - Orpiment -190.80 -232.28 -41.48 As2S3 - P(cr) -101.27 39.24 140.51 P - Pa(cr) -154.32 30.41 184.73 Pa + NpO2CO3(cr) -11.80 -26.63 -14.83 NpO2CO3 + NpO2OH(am) -1.39 3.91 5.30 NpO2OH + O2(g) -39.09 -41.99 -2.90 O2 + Okenite -7.54 1.64 9.18 CaSi2O5:2H2O + Olivine -2.96 16.72 19.68 Ni2(SiO4) + Orpiment -190.84 -318.30 -127.46 As2S3 + P(cr) -101.97 -68.93 33.04 P + Pa(cr) -154.32 -55.57 98.75 Pa Pa2O5(s) 11.31 7.31 -4.00 Pa2O5 PaO2(s) -12.17 -11.57 0.60 PaO2 - Paragonite 11.20 28.00 16.80 NaAl3Si3O10(OH)2 - Paralaurionite -0.22 0.40 0.62 PbCl(OH) - Pb(cr) -15.73 31.51 47.24 Pb - Pb(H2PO4)2(cr) -6.10 -15.94 -9.84 Pb(H2PO4)2 - Pb(HPO4)(s) 1.54 -2.71 -4.25 Pb(HPO4) - Pb(OH)2(s) -2.99 10.52 13.51 Pb(OH)2 - Pb(SeO3)(s) -2.69 -15.19 -12.50 Pb(SeO3) - Pb(SeO4)(s) -14.33 -21.23 -6.90 Pb(SeO4) - Pb2(SiO4)(s) 0.71 16.60 15.89 Pb2(SiO4) - Pb3(AsO4)2(s) 8.68 -26.72 -35.40 Pb3(AsO4)2 - Pb3(PO4)2(s) 10.37 5.11 -5.26 Pb3(PO4)2 - Pb4O(PO4)2(cr) 13.39 15.63 2.24 Pb4O(PO4)2 - PbB2O4(s) -5.17 -16.04 -10.87 PbB2O4 - PbF2(s) -5.31 -12.83 -7.52 PbF2 - PbI2(cr) -6.00 -14.05 -8.05 PbI2 - PbMoO4(s) 8.99 -6.81 -15.80 PbMoO4 - PbSiO3(Glass) -0.52 6.08 6.60 PbSiO3 - Pd(cr) 11.73 21.69 9.96 Pd - Pd(OH)2(s) 2.31 0.70 -1.61 Pd(OH)2 - PdBr2(cr) -6.63 -19.94 -13.31 PdBr2 - PdCl2(cr) -10.34 -19.54 -9.20 PdCl2 - PdI2(cr) 2.00 -23.87 -25.87 PdI2 - PdO(s) 6.72 0.70 -6.02 PdO - PdS(s) -24.43 -71.29 -46.86 PdS - PdSe(s) 11.63 -37.48 -49.11 PdSe - Pentahydrite -5.75 -7.03 -1.28 MgSO4:5H2O - Periclase -10.92 10.66 21.58 MgO - Phillipsite_Ca 2.14 4.46 2.32 Ca0.5AlSi3O8:3H2O - Phillipsite_K 3.01 3.05 0.04 KAlSi3O8:3H2O - Phillipsite_Na 1.60 3.05 1.45 NaAlSi3O8:3H2O - Phlogopite_K -6.08 35.02 41.10 KMg3Si3AlO10(OH)2 - Phlogopite_Na -9.18 35.02 44.20 NaMg3AlSi3O10(OH)2 - Phosgenite -41.32 -21.42 19.90 Pb2(CO3)Cl2 - Picromerite -12.55 -16.88 -4.33 K2Mg(SO4)2:6H2O - Pirssonite -17.09 -26.00 -8.91 Na2Ca(CO3)2:2H2O - Plattnerite -17.08 -10.47 6.61 PbO2 - Plumbogummite 8.23 21.47 13.24 PbAl3(PO4)2(OH)5:H2O - Plumbonacrite 13.93 -28.16 -42.09 Pb10(CO3)6O(OH)6 - Polydymite -194.86 -277.12 -82.26 Ni3S4 - Polyhalite -17.21 -30.95 -13.74 K2MgCa2(SO4)4:2H2O + Paragonite 11.08 27.87 16.79 NaAl3Si3O10(OH)2 + Paralaurionite -0.70 -0.08 0.62 PbCl(OH) + Pb(cr) -16.20 -11.95 4.25 Pb + Pb(H2PO4)2(cr) -7.98 -17.82 -9.84 Pb(H2PO4)2 + Pb(HPO4)(s) 0.36 -3.89 -4.25 Pb(HPO4) + Pb(OH)2(s) -3.46 10.05 13.51 Pb(OH)2 + Pb(SeO3)(s) 3.59 -8.91 -12.50 Pb(SeO3) + Pb(SeO4)(s) -8.05 -14.95 -6.90 Pb(SeO4) + Pb2(SiO4)(s) -0.29 15.60 15.89 Pb2(SiO4) + Pb3(AsO4)2(s) 7.25 -28.15 -35.40 Pb3(AsO4)2 + Pb3(PO4)2(s) 7.53 2.27 -5.26 Pb3(PO4)2 + Pb4O(PO4)2(cr) 10.08 12.32 2.24 Pb4O(PO4)2 + PbB2O4(s) -5.39 -16.26 -10.87 PbB2O4 + PbF2(s) -5.84 -13.36 -7.52 PbF2 + PbI2(cr) -6.48 -14.53 -8.05 PbI2 + PbMoO4(s) 8.51 -7.29 -15.80 PbMoO4 + PbSiO3(Glass) -1.05 5.55 6.60 PbSiO3 + Pd(cr) 11.44 -21.59 -33.03 Pd + Pd(OH)2(am) 3.99 0.41 -3.58 Pd(OH)2 + PdBr2(cr) -6.91 -20.22 -13.31 PdBr2 + PdCl2(cr) -10.64 -19.84 -9.20 PdCl2 + PdI2(cr) 1.70 -24.17 -25.87 PdI2 + PdO(s) 6.43 0.41 -6.02 PdO + PdS(s) -24.74 -71.60 -46.86 PdS + PdSe(s) 18.09 -31.02 -49.11 PdSe + Pentahydrite -5.76 -7.04 -1.28 MgSO4:5H2O + Periclase -10.93 10.65 21.58 MgO + Phillipsite_Ca 1.99 4.31 2.32 Ca0.5AlSi3O8:3H2O + Phillipsite_K 2.86 2.90 0.04 KAlSi3O8:3H2O + Phillipsite_Na 1.45 2.90 1.45 NaAlSi3O8:3H2O + Phlogopite_K -6.22 34.86 41.08 KMg3Si3AlO10(OH)2 + Phlogopite_Na -9.32 34.86 44.18 NaMg3AlSi3O10(OH)2 + Phosgenite -42.00 -22.10 19.90 Pb2(CO3)Cl2 + Picromerite -12.58 -16.91 -4.33 K2Mg(SO4)2:6H2O + Pirssonite -16.52 -25.43 -8.91 Na2Ca(CO3)2:2H2O + Plattnerite -17.55 32.05 49.60 PbO2 + Plumbogummite 6.38 19.62 13.24 PbAl3(PO4)2(OH)5:H2O + Plumbonacrite 10.86 -31.23 -42.09 Pb10(CO3)6O(OH)6 + Polydymite -194.92 -234.19 -39.27 Ni3S4 + Polyhalite -17.28 -31.02 -13.74 K2MgCa2(SO4)4:2H2O Portlandite -12.17 10.64 22.81 Ca(OH)2 - Pu(CO3)(OH)(s) -4.38 -10.12 -5.74 Pu(CO3)(OH) - Pu(cr) -122.32 43.60 165.91 Pu - Pu(HPO4)2(am,hyd) -5.01 -21.04 -16.03 Pu(HPO4)2 - Pu(OH)3(cr) -3.69 12.11 15.80 Pu(OH)3 - Pu(OH)4(am) 6.22 5.42 -0.80 Pu(OH)4 - Pu(PO4)(s,hyd) 3.92 -1.12 -5.04 Pu(PO4) + Pu(cr) -122.32 -20.89 101.43 Pu + Pu(HPO4)2(am,hyd) -6.41 -22.44 -16.03 Pu(HPO4)2 + Pu(OH)3(am) -2.47 12.11 14.58 Pu(OH)3 + Pu(PO4)(am) 3.06 -1.82 -4.88 Pu(PO4) Pu2O3(s) -26.40 24.23 50.63 Pu2O3 - PuAs(s) -111.55 80.45 192.00 PuAs - PuF4(s) -15.22 -41.29 -26.07 PuF4 - PuO2(CO3)(s) -13.43 -28.08 -14.65 PuO2(CO3) - PuO2(coll,hyd) 5.22 5.42 0.20 PuO2 - PuO2(OH)(s) -6.03 -1.03 5.00 PuO2(OH) - PuO2(OH)2:H2O(s) -11.35 -5.85 5.50 PuO2(OH)2:H2O - PuO2(s) 13.45 5.42 -8.03 PuO2 - PuO2:2H2O(am) 7.79 5.42 -2.37 PuO2:2H2O - Pyrite -95.97 -154.75 -58.78 FeS2 + PuAs(s) -111.57 -155.99 -44.42 PuAs + PuCO3OH(s) -3.56 -9.83 -6.27 Pu(CO3)(OH) + PuF4(s) -15.31 -41.38 -26.07 PuF4 + PuO2(CO3)(cr) -12.98 -27.80 -14.82 PuO2(CO3) + PuO2(coll) 5.22 5.42 0.20 PuO2 + PuO2(cr) 13.45 5.42 -8.03 PuO2 + PuO2(OH)2:H2O(am) -11.02 -5.85 5.17 PuO2(OH)2:H2O + PuO2:2H2O(am) 7.75 5.42 -2.33 PuO2:2H2O + PuO2OH(am) -6.03 -1.03 5.00 PuO2OH + Pyrite -95.76 -112.58 -16.82 FeS2 Pyrochroite -4.73 10.57 15.30 Mn(OH)2 - Pyromorphite 28.55 2.80 -25.75 Pb5Cl(PO4)3 - Pyromorphite-Br 22.05 2.60 -19.45 Pb5Br(PO4)3 - Pyromorphite-F 14.34 1.24 -13.10 Pb5F(PO4)3 - Pyromorphite-OH 17.07 12.92 -4.15 Pb5(OH)(PO4)3 - Pyrophyllite 7.58 7.16 -0.42 Al2Si4O10(OH)2 - Pyrrhotite -54.65 -65.83 -11.18 Fe0.87S - Quartz -0.71 -4.45 -3.74 SiO2 - Ra(CO3)(s) -3.29 -11.59 -8.30 Ra(CO3) - Ra(cr) -109.80 31.63 141.43 Ra - Ra(NO3)2(s) -42.95 -45.16 -2.21 Ra(NO3)2 + Pyromorphite 24.06 -1.69 -25.75 Pb5Cl(PO4)3 + Pyromorphite-Br 17.57 -1.88 -19.45 Pb5Br(PO4)3 + Pyromorphite-F 9.83 -3.27 -13.10 Pb5F(PO4)3 + Pyromorphite-OH 12.58 8.43 -4.15 Pb5(OH)(PO4)3 + Pyrophyllite 7.41 6.97 -0.44 Al2Si4O10(OH)2 + Pyrrhotite -55.63 -60.95 -5.32 Fe0.87S + Quartz -0.76 -4.50 -3.74 SiO2 + Ra(CO3)(s) -3.01 -11.31 -8.30 Ra(CO3) + Ra(cr) -109.80 -11.36 98.44 Ra + Ra(NO3)2(s) -42.63 -44.84 -2.21 Ra(NO3)2 Ra(OH)2(s) -20.35 10.64 30.99 Ra(OH)2 - Ra(SO4)(s) 3.22 -7.04 -10.26 Ra(SO4) - RaCl2:2H2O(s) -8.87 -9.60 -0.73 RaCl2:2H2O - Rb(s) -56.84 14.41 71.25 Rb - Rb2MoO4(s) -12.60 -9.50 3.10 Rb2MoO4 - Realgar -67.08 -69.65 -2.58 AsS - Rhodochrosite -0.54 -11.67 -11.13 Mn(CO3) - Rhodochrosite(syn) -1.15 -11.67 -10.52 Mn(CO3) - Ripidolite_Cca-2 8.88 70.23 61.35 (Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 + Ra(SO4)(s) 3.20 -7.06 -10.26 Ra(SO4) + RaCl2:2H2O(s) -8.88 -9.61 -0.73 RaCl2:2H2O + Rb(cr) -56.85 -7.09 49.76 Rb + Rb2MoO4(s) -12.61 -9.51 3.10 Rb2MoO4 + Realgar -67.09 -134.15 -67.06 AsS + Rhodochrosite -0.25 -11.38 -11.13 Mn(CO3) + Rhodochrosite(syn) -0.89 -11.38 -10.49 Mn(CO3) + Ripidolite_Cca-2 7.20 68.55 61.35 (Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 Romarchite -21.16 -19.57 1.59 SnO - Rutherfordine -1.32 -16.08 -14.76 (UO2)(CO3) - S(cr) -47.85 -92.98 -45.13 S - Sacchite -18.44 -9.67 8.77 MnCl2 - Sanidine 2.47 3.05 0.58 KAlSi3O8 - Saponite-Ca -7.59 21.75 29.34 Ca0.17Mg3Al0.34Si3.66O10(OH)2 - Saponite-FeCa -5.24 21.31 26.55 Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 - Saponite-FeK -4.54 20.84 25.38 K0.34Mg2FeAl0.34Si3.66O10(OH)2 - Saponite-FeMg -4.68 21.32 26.00 Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 - Saponite-FeNa -4.86 20.84 25.70 Na0.34Mg2FeAl0.34Si3.66O10(OH)2 - Saponite-K -6.90 21.27 28.17 K0.34Mg3Al0.34Si3.66O10(OH)2 - Saponite-Mg -7.04 21.75 28.79 Mg0.17Mg3Al0.34Si3.66O10(OH)2 - Saponite-Na -7.40 21.27 28.67 Na0.34Mg3Al0.34Si3.66O10(OH)2 - Saponite_SapCa -8.43 23.04 31.47 (Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2 - Saponite_SapCa(4.151H2O) -5.27 23.03 28.30 (Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O - Sb(cr) -28.95 23.86 52.81 Sb + Rutherfordine -1.09 -15.85 -14.76 (UO2)(CO3) + S(cr) -47.86 -50.00 -2.14 S + Sacchite -18.45 -9.68 8.77 MnCl2 + Sanidine 2.33 2.91 0.58 KAlSi3O8 + Saponite-Ca -7.79 21.55 29.34 Ca0.17Mg3Al0.34Si3.66O10(OH)2 + Saponite-FeCa -4.16 20.32 24.48 Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 + Saponite-FeK -5.56 19.84 25.40 K0.34Mg2FeAl0.34Si3.66O10(OH)2 + Saponite-FeMg -5.71 20.32 26.03 Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 + Saponite-FeNa -5.89 19.84 25.73 Na0.34Mg2FeAl0.34Si3.66O10(OH)2 + Saponite-K -7.10 21.07 28.17 K0.34Mg3Al0.34Si3.66O10(OH)2 + Saponite-Mg -7.24 21.55 28.79 Mg0.17Mg3Al0.34Si3.66O10(OH)2 + Saponite-Na -7.60 21.07 28.67 Na0.34Mg3Al0.34Si3.66O10(OH)2 + Saponite_SapCa -8.65 22.80 31.45 (Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2 + Saponite_SapCa(4.151H2O) -5.48 22.79 28.27 (Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O + Sb(cr) -28.95 -40.62 -11.67 Sb Sb2O5(s) -7.33 -14.73 -7.40 Sb2O5 - Schoepite 0.19 6.15 5.96 UO3:2H2O - Schoepite(des) 1.15 6.15 5.00 UO3:0.9H2O - Scolecite 5.60 22.25 16.65 CaAl2Si3O10:3H2O - Se(s) -8.56 -59.17 -50.61 Se - Se3U(cr) -90.12 -108.39 -18.27 Se3U - SeO3(cr) -52.11 -31.75 20.36 SeO3 - SeU(cr) -104.33 -24.00 80.33 SeU - Si(cr) -111.63 37.53 149.17 Si - Siderite -1.21 -12.01 -10.80 Fe(CO3) - Siderophyllite 12.32 52.89 40.57 KFe2Al3Si2O10(OH)2 - SiO2(am) -1.74 -4.45 -2.71 SiO2 - Sm(cr) -132.70 48.40 181.11 Sm - Sm(OH)3(am) -0.93 16.92 17.85 Sm(OH)3 - Sm(OH)3(s) 0.79 16.92 16.13 Sm(OH)3 - Sm2(CO3)3(s) 1.63 -32.87 -34.50 Sm2(CO3)3 - Sm2(SO4)3(s) -9.41 -19.21 -9.80 Sm2(SO4)3 - Sm2O3(s) -9.27 33.84 43.11 Sm2O3 - SmCl3:6H2O(s) -18.24 -13.44 4.80 SmCl3:6H2O - Smectite_MX80(3.989H2O) 10.65 12.43 1.78 (Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:3.989H2O - Smectite_MX80(5.189H2O) 10.99 12.43 1.44 (Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:5.189H2O - SmectiteMX80 7.16 12.43 5.27 Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.173Fe0.035)O10(OH)2 - SmF3:0.5H2O(s) -0.62 -18.12 -17.50 SmF3:0.5H2O - SmOHCO3(cr) 4.91 -5.32 -10.23 SmOHCO3 - SmOHCO3:0.5H2O(cr) 1.99 -5.32 -7.31 SmOHCO3:0.5H2O - SmPO4:H2O(am) 8.69 3.69 -5.00 SmPO4:H2O - SmPO4:H2O(cr) 10.36 3.69 -6.67 SmPO4:H2O - Sn(cr)(alfa) -46.39 1.42 47.81 Sn - Sn(cr)(beta) -46.37 1.42 47.79 Sn + Schwertmannite(cr) 32.55 41.27 8.72 Fe8O8(OH)6SO4 + Scolecite 5.48 22.11 16.63 CaAl2Si3O10:3H2O + Se(s) -1.80 -9.42 -7.62 Se + Se3U(cr) -69.90 -88.17 -18.27 Se3U + SeO3(cr) -45.35 -24.99 20.36 SeO3 + SeU(cr) -97.62 -60.28 37.34 SeU + Si(cr) -111.69 -48.50 63.19 Si + Siderite -1.85 -12.53 -10.68 Fe(CO3) + Siderophyllite 10.61 51.21 40.60 KFe2Al3Si2O10(OH)2 + SiO2(am) -1.79 -4.50 -2.71 SiO2 + Sm(cr) -132.65 -16.03 116.62 Sm + Sm(OH)3(am) -0.88 16.97 17.85 Sm(OH)3 + Sm(OH)3(s) 0.84 16.97 16.13 Sm(OH)3 + Sm2(CO3)3(s) 2.60 -31.90 -34.50 Sm2(CO3)3 + Sm2(SO4)3(s) -9.33 -19.13 -9.80 Sm2(SO4)3 + Sm2O3(s) -9.16 33.95 43.11 Sm2O3 + SmCl3:6H2O(s) -18.20 -13.40 4.80 SmCl3:6H2O + SmCO3OH(cr) 5.26 -4.97 -10.23 SmOHCO3 + SmCO3OH:0.5H2O(s) 2.34 -4.97 -7.31 SmOHCO3:0.5H2O + Smectite 6.82 12.08 5.26 Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.173Fe0.035)O10(OH)2 + Smectite_MX80(3.989H2O) 10.33 12.08 1.75 (Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:3.989H2O + Smectite_MX80(5.189H2O) 10.67 12.08 1.41 (Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:5.189H2O + SmF3:0.5H2O(s) -0.63 -18.13 -17.50 SmF3:0.5H2O + SmPO4:H2O(am) 8.04 3.04 -5.00 SmPO4:H2O + SmPO4:H2O(cr) 9.71 3.04 -6.67 SmPO4:H2O + Sn(cr,alfa) -46.39 -41.57 4.82 Sn + Sn(cr,beta) -46.37 -41.57 4.80 Sn Sn(OH)4(s) -9.27 -10.55 -1.28 Sn(OH)4 - Sn(OH)Cl(s) -27.27 -29.69 -2.42 Sn(OH)Cl + Sn(OH)Cl(s) -27.28 -29.70 -2.42 Sn(OH)Cl SnO2(am) 4.22 -10.55 -14.77 SnO2 - SnSe(alfa) -36.08 -57.75 -21.67 SnSe - SnSe2(s) -43.15 -116.93 -73.78 SnSe2 - SO2(g) -34.36 -43.30 -8.94 SO2 - Soddyite(synt1) 3.96 7.86 3.90 (UO2)2SiO4:2H2O - Soddyite(synt2) 1.43 7.86 6.43 (UO2)2SiO4:2H2O - Sodium-compreignacite 5.35 44.75 39.40 Na2(UO2)6O4(OH)6:7H2O - Sphaerocobaltite -0.38 -11.58 -11.20 CoCO3 - Sr(cr) -110.13 31.65 141.78 Sr - Sr(HPO4)(s) -2.86 -2.58 0.28 Sr(HPO4) - Sr(NO3)2(cr) -45.55 -45.15 0.40 Sr(NO3)2 - Sr(NO3)2:2H2O(s) -45.20 -45.15 0.05 Sr(NO3)2:2H2O - Sr(NO3)2:4H2O(s) -44.28 -45.15 -0.87 Sr(NO3)2:4H2O - Sr(OH)2(s) -16.85 10.66 27.51 Sr(OH)2 + SnSe(alfa) -29.32 -50.99 -21.67 SnSe + SnSe2(s) -29.63 -60.42 -30.79 SnSe2 + SO2(g) -34.37 -43.31 -8.94 SO2 + Soddyite 1.95 7.70 5.75 (UO2)2SiO4:2H2O + Sodium-compreignacite 5.01 44.41 39.40 Na2(UO2)6O4(OH)6:7H2O + Sphaerocobaltite -0.10 -11.30 -11.20 CoCO3 + Sr(cr) -110.14 -11.35 98.79 Sr + Sr(HPO4)(s) -3.56 -3.28 0.28 Sr(HPO4) + Sr(NO3)2(cr) -45.22 -44.82 0.40 Sr(NO3)2 + Sr(NO3)2:2H2O(s) -44.87 -44.82 0.05 Sr(NO3)2:2H2O + Sr(NO3)2:4H2O(s) -43.95 -44.82 -0.87 Sr(NO3)2:4H2O + Sr(OH)2(s) -16.86 10.65 27.51 Sr(OH)2 Sr(OH)2:8H2O(s) -13.67 10.65 24.32 Sr(OH)2:8H2O - Sr(SeO3)(cr) -8.76 -15.06 -6.30 Sr(SeO3) - Sr(SeO4)(s) -16.75 -21.10 -4.35 Sr(SeO4) - Sr2SiO4(s) -26.38 16.87 43.25 Sr2SiO4 - Sr3(AsO4)2(s) -10.24 -26.32 -16.08 Sr3(AsO4)2 - Sr3(PO4)2(s) -5.03 5.50 10.53 Sr3(PO4)2 - Sr5(PO4)3(OH)(s) 6.41 13.58 7.17 Sr5(PO4)3(OH) + Sr(SeO3)(cr) -2.00 -8.30 -6.30 Sr(SeO3) + Sr(SeO4)(s) -9.99 -14.34 -4.35 Sr(SeO4) + Sr2SiO4(s) -26.44 16.81 43.25 Sr2SiO4 + Sr3(AsO4)2(s) -10.26 -26.34 -16.08 Sr3(AsO4)2 + Sr3(PO4)2(s) -6.44 4.09 10.53 Sr3(PO4)2 + Sr5(PO4)3(OH)(s) 4.29 11.46 7.17 Sr5(PO4)3(OH) SrBr2(s) -22.48 -9.98 12.50 SrBr2 SrBr2:6H2O(s) -12.80 -9.98 2.82 SrBr2:6H2O SrBr2:H2O(s) -18.78 -9.98 8.80 SrBr2:H2O - SrCl2(s) -17.70 -9.58 8.12 SrCl2 - SrCl2:2H2O(s) -13.05 -9.58 3.47 SrCl2:2H2O - SrCl2:6H2O(s) -11.19 -9.58 1.61 SrCl2:6H2O - SrCl2:H2O(s) -14.49 -9.58 4.91 SrCl2:H2O + SrCl2(s) -17.72 -9.60 8.12 SrCl2 + SrCl2:2H2O(s) -13.07 -9.60 3.47 SrCl2:2H2O + SrCl2:6H2O(s) -11.21 -9.60 1.61 SrCl2:6H2O + SrCl2:H2O(s) -14.51 -9.60 4.91 SrCl2:H2O SrCrO4(s) -13.99 -18.64 -4.65 SrCrO4 - SrF2(cr) -4.16 -12.70 -8.54 SrF2 - SrMoO4(s) -0.09 -6.68 -6.59 SrMoO4 - SrO(cr) -31.32 10.66 41.98 SrO - SrS(s) -76.01 -61.33 14.68 SrS - SrSiO3(s) -6.95 6.21 13.16 SrSiO3 - SrZrSi2O7(cr) -6.43 -1.23 5.20 SrZrSi2O7 - Stellerite 1.95 8.94 6.99 Ca2Al4Si14O36:14H2O - Stibnite -175.19 -231.22 -56.03 Sb2S3 - Stilbite 6.72 29.77 23.05 NaCa2(Al5Si13)O36:16H2O - Stilleite -15.47 -27.52 -12.05 ZnSe - Stratlingite -7.88 41.78 49.66 Ca2Al2SiO3(OH)8:4H2O - Strontianite -2.31 -11.58 -9.27 Sr(CO3) - Sudoite 19.91 57.87 37.96 Mg2Al4Si3O10(OH)8 - Sylvite -7.07 -6.20 0.87 KCl - Syngenite -9.44 -16.89 -7.45 K2Ca(SO4)2:6H2O - Tachyhydrite -46.14 -28.76 17.38 Mg2CaCl6:12H2O - Talc -10.75 14.19 24.94 Mg3Si4O10(OH)2 - Tc(cr) -32.57 28.33 60.90 Tc - Tc2O7(s) -35.48 -20.17 15.31 Tc2O7 - Tc2O7:H2O(s) -34.27 -20.17 14.10 Tc2O7:H2O - TcO2(cr) -4.51 -13.65 -9.14 TcO2 - TcO2:1.63H2O(s) -5.25 -13.65 -8.40 TcO2:1.63H2O - Th(cr) -155.06 54.39 209.45 Th - Th(HPO4)2(s) 2.06 -14.05 -16.11 Th(HPO4)2 - Th(SO4)2:9H2O(cr) -11.70 -22.95 -11.25 Th(SO4)2:9H2O - Thermonatrite -14.88 -14.40 0.48 Na2(CO3):H2O - Thernardite -9.49 -9.85 -0.36 Na2SO4 - ThF4(cr) -15.19 -34.30 -19.11 ThF4 + SrF2(cr) -4.21 -12.75 -8.54 SrF2 + SrMoO4(s) -0.10 -6.69 -6.59 SrMoO4 + SrO(cr) -31.33 10.65 41.98 SrO + SrS(s) -76.03 -61.35 14.68 SrS + SrSiO3(s) -7.01 6.15 13.16 SrSiO3 + SrZrSi2O7(cr) -6.54 -1.34 5.20 SrZrSi2O7 + Stellerite 1.32 8.24 6.92 Ca2Al4Si14O36:14H2O + Stibnite -175.23 -231.26 -56.03 Sb2S3 + Stilbite 6.16 29.13 22.97 NaCa2(Al5Si13)O36:16H2O + Stilleite -8.71 -20.76 -12.05 ZnSe + Stratlingite -7.92 41.74 49.66 Ca2Al2SiO3(OH)8:4H2O + Strontianite -2.03 -11.30 -9.27 Sr(CO3) + Sudoite 19.81 57.74 37.93 Mg2Al4Si3O10(OH)8 + Sylvite -7.08 -6.21 0.87 KCl + Syngenite -9.47 -16.92 -7.45 K2Ca(SO4)2:6H2O + Tachyhydrite -46.18 -28.80 17.38 Mg2CaCl6:12H2O + Talc -10.95 13.97 24.92 Mg3Si4O10(OH)2 + Tc(cr) -32.57 -56.91 -24.34 Tc + Tc2O7(cr) -35.48 -20.17 15.31 Tc2O7 + Tc2O7:H2O(s) -34.28 -20.17 14.11 Tc2O7:H2O + TcO2(aged) -4.19 -12.91 -8.72 TcO2 + TcO2(cr) -3.76 -12.91 -9.15 TcO2 + TcO2(fresh) -5.25 -12.91 -7.66 TcO2 + Th(cr) -155.06 -31.59 123.47 Th + Th(HPO4)2(s) 0.65 -15.46 -16.11 Th(HPO4)2 + Th(SO4)2:9H2O(cr) -11.73 -22.98 -11.25 Th(SO4)2:9H2O + Thenardite -9.50 -9.86 -0.36 Na2SO4 + Thermonatrite -14.60 -14.12 0.48 Na2(CO3):H2O + ThF4(cr) -3.77 -34.40 -30.63 ThF4 ThO2(aged) 3.91 12.41 8.50 ThO2 ThO2(coll) 1.31 12.41 11.10 ThO2 ThO2(cr) 10.64 12.41 1.77 ThO2 ThO2(fresh) 3.11 12.41 9.30 ThO2 ThO2(mcr) 9.41 12.41 3.00 ThO2 - Tiemannite 4.84 -40.59 -45.43 HgSe - Tobermorite-11A -39.04 26.54 65.58 Ca5Si6O16.5(OH):5H2O - Tobermorite-14A -36.40 26.54 62.94 Ca5Si6O16.5(OH):10H2O - Trevorite 17.63 27.03 9.40 Fe2NiO4 - Troilite -56.46 -61.77 -5.31 FeS - Trona -21.34 -32.72 -11.38 Na3H(CO3)2:2H2O - Truscottite -55.93 21.15 77.08 Ca7Si12O29(OH)4:H2O - U(cr) -143.64 35.17 178.81 U - U(HPO4)2:4H2O(s) -17.21 -33.28 -16.07 U(HPO4)2:4H2O - U(OH)2(SO4)(cr) -21.32 -24.49 -3.17 U(OH)2(SO4) - U(SO4)2(cr) -30.49 -42.17 -11.68 U(SO4)2 - U(SO4)2:4H2O(cr) -30.45 -42.17 -11.72 U(SO4)2:4H2O - U(SO4)2:8H2O(cr) -29.40 -42.17 -12.77 U(SO4)2:8H2O - U2O7Ba(cr) 1.56 22.95 21.39 U2O7Ba - U2O7Ba2(cr) -20.80 14.55 35.35 U2O7Ba2 - U2O7Na2(s) -2.46 20.14 22.60 U2O7Na2 - U3As4(s) -429.95 300.69 730.64 U3As4 - UAs(s) -133.48 92.45 225.94 UAs - UAs2(s) -162.42 115.78 278.20 UAs2 - UO2(CO3)3Mg2:18H2O(s) -10.23 -39.24 -29.01 UO2(CO3)3Mg2:18H2O - UO2(CO3)3Na4(cr) -17.71 -44.89 -27.18 UO2(CO3)3Na4 - UO2(HPO4):4H2O(cr) -2.44 -7.08 -4.64 UO2(HPO4):4H2O - UO2(OH)2(beta) 1.22 6.15 4.93 UO2(OH)2 - UO2(SO3)(cr) -21.32 -37.15 -15.83 UO2(SO3) - UO2(SO4)(cr) -13.42 -11.53 1.89 UO2(SO4) - UO2(SO4):2.5H2O(cr) -9.94 -11.53 -1.59 UO2(SO4):2.5H2O - UO2(SO4):3.5H2O(cr) -9.94 -11.53 -1.59 UO2(SO4):3.5H2O - UO2(SO4):3H2O(cr) -10.03 -11.53 -1.50 UO2(SO4):3H2O - UO2.25(s) -0.31 -12.05 -11.75 UO2.25 - UO2.34(beta) 0.04 -13.94 -13.99 UO2.34 - UO2.67(s) 1.08 -20.87 -21.95 UO2.67 - UO2:2H2O(am) -8.31 -6.81 1.50 UO2:2H2O - UO3(alfa) -3.37 6.15 9.52 UO3 - UO3(beta) -2.15 6.15 8.30 UO3 - UO3Na(s) -7.79 0.55 8.34 UO3Na - UO4Ba(s) -0.84 16.80 17.64 UO4Ba - UO4Ca(cr) 0.87 16.80 15.93 UO4Ca - UO4Li2(s) -13.95 13.99 27.94 UO4Li2 - UO4Mg(cr) -6.42 16.81 23.23 UO4Mg - UO4Na2(alfa) -16.04 13.99 30.03 UO4Na2 - UO4Na3(cr) -47.90 8.38 56.28 UO4Na3 - UO4Sr(alfa) -2.35 16.81 19.16 UO4Sr - UO6Ba3(cr) -54.61 38.09 92.70 UO6Ba3 - Uraninite -1.96 -6.81 -4.85 UO2 - Uranophane 4.64 14.06 9.42 Ca(UO2)2(SiO3OH)2:5H2O - US2(cr) -148.36 -150.79 -2.43 US2 - USe2(beta) -85.99 -83.17 2.82 USe2 - Vaesite -93.40 -154.36 -60.96 NiS2 + Tobermorite-11A -39.37 26.21 65.58 Ca5Si6O16.5(OH):5H2O + Tobermorite-14A -36.73 26.21 62.94 Ca5Si6O16.5(OH):10H2O + Trevorite 15.92 25.35 9.43 Fe2NiO4 + Troilite -58.59 -62.58 -3.99 FeS + Trona -20.77 -32.15 -11.38 Na3H(CO3)2:2H2O + Truscottite -56.58 20.50 77.08 Ca7Si12O29(OH)4:H2O + U(cr) -143.69 -50.86 92.83 U + U(HPO4)2:4H2O(s) -18.66 -34.73 -16.07 U(HPO4)2:4H2O + U(OH)2(SO4)(cr) -21.39 -24.56 -3.17 U(OH)2(SO4) + U(SO4)2(cr) -30.57 -42.25 -11.68 U(SO4)2 + U(SO4)2:4H2O(cr) -30.54 -42.25 -11.71 U(SO4)2:4H2O + U(SO4)2:8H2O(s) -29.48 -42.25 -12.77 U(SO4)2:8H2O + U2O7Ba(cr) 1.45 22.84 21.39 U2O7Ba + U2O7Ba2(cr) -20.91 14.44 35.35 U2O7Ba2 + U2O7Na2(s) -2.57 20.03 22.60 U2O7Na2 + U3As4(s) -430.19 -516.28 -86.09 U3As4 + UAs(s) -133.57 -144.05 -10.48 UAs + UAs2(s) -162.51 -228.19 -65.68 UAs2 + UO2(CO3)3Mg2:18H2O(s) -9.44 -38.45 -29.01 UO2(CO3)3Mg2:18H2O + UO2(CO3)3Na4(cr) -16.91 -44.09 -27.18 UO2(CO3)3Na4 + UO2(HPO4):4H2O(cr) -3.20 -7.84 -4.64 UO2(HPO4):4H2O + UO2(OH)2(beta) 1.17 6.10 4.93 UO2(OH)2 + UO2(SO3)(cr) -21.17 -37.22 -16.05 UO2(SO3) + UO2(SO4)(cr) -13.49 -11.60 1.89 UO2(SO4) + UO2(SO4):2.5H2O(cr) -10.01 -11.60 -1.59 UO2(SO4):2.5H2O + UO2(SO4):3.5H2O(cr) -10.01 -11.60 -1.59 UO2(SO4):3.5H2O + UO2(SO4):3H2O(cr) -10.10 -11.60 -1.50 UO2(SO4):3H2O + UO2.25(s) -0.36 -1.36 -1.00 UO2.25 + UO2.34(beta) -0.33 0.62 0.95 UO2.34 + UO2.67(s) 0.88 7.88 7.00 UO2.67 + UO2:2H2O(am) -8.36 -6.86 1.50 UO2:2H2O + UO3(alfa) -3.42 6.10 9.52 UO3 + UO3(beta) -2.20 6.10 8.30 UO3 + UO3:0.9H2O(s) 1.10 6.10 5.00 UO3:0.9H2O + UO3Na(s) -7.85 0.49 8.34 UO3Na + UO4Ba(s) -0.90 16.74 17.64 UO4Ba + UO4Ca(cr) 0.81 16.74 15.93 UO4Ca + UO4Li2(s) -14.01 13.93 27.94 UO4Li2 + UO4Mg(cr) -6.48 16.75 23.23 UO4Mg + UO4Na2(alfa) -16.10 13.93 30.03 UO4Na2 + UO4Na3(cr) -47.96 8.32 56.28 UO4Na3 + UO4Sr(alfa) -2.41 16.75 19.16 UO4Sr + UO6Ba3(cr) -54.68 38.02 92.70 UO6Ba3 + Uraninite -2.01 -6.86 -4.85 UO2 + Uranophane 2.32 13.84 11.52 Ca(UO2)2(SiO3OH)2:5H2O + US2(cr) -148.44 -150.87 -2.43 US2 + USe2(beta) -72.53 -69.71 2.82 USe2 + Vaesite -93.43 -111.40 -17.97 NiS2 Valentinite -6.77 -15.25 -8.48 Sb2O3 - Vaterite -3.69 -11.59 -7.90 CaCO3 - Vermiculite-Ca -6.24 33.31 39.55 Ca0.43Mg3Si3.14Al0.86O10(OH)2 - Vermiculite-K -5.33 32.11 37.44 K0.86Mg3.00Si3.14Al0.86O10(OH)2 - Vermiculite-Mg -4.72 33.32 38.04 Mg0.43Mg3Si3.14Al0.86O10(OH)2 - Vermiculite-Na -6.28 32.11 38.39 Na0.86Mg3.00Si3.14Al0.86O10(OH)2 - Vermiculite_SO -7.07 38.84 45.91 (Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2 - Vivianite 1.07 4.19 3.12 Fe3(PO4)2:8H2O - Wairakite 3.37 17.81 14.44 CaAl2Si4O12:2H2O - Witherite -3.03 -11.59 -8.56 Ba(CO3) - Xonotlite -54.16 37.18 91.34 Ca6Si6O17(OH)2 - Zeolite_CaP 8.24 53.39 45.15 Ca2Al4Si4O16:9H2O - Zn(SeO4):6H2O(s) -19.55 -21.09 -1.54 Zn(SeO4):6H2O - Zn3(AsO4)2(s) 1.15 -26.30 -27.45 Zn3(AsO4)2 - ZnB2O4(s) -5.71 -15.90 -10.19 ZnB2O4 - Zr(cr) -139.59 38.98 178.57 Zr - Zr(HPO4)2(alfa) 2.80 -29.47 -32.27 Zr(HPO4)2 - Zr(HPO4)2:H2O(cr) -2.39 -29.47 -27.08 Zr(HPO4)2:H2O + Vaterite -3.41 -11.31 -7.90 CaCO3 + Vermiculite-Ca -6.41 33.14 39.55 Ca0.43Mg3Si3.14Al0.86O10(OH)2 + Vermiculite-K -5.50 31.94 37.44 K0.86Mg3.00Si3.14Al0.86O10(OH)2 + Vermiculite-Mg -4.89 33.15 38.04 Mg0.43Mg3Si3.14Al0.86O10(OH)2 + Vermiculite-Na -6.45 31.94 38.39 Na0.86Mg3.00Si3.14Al0.86O10(OH)2 + Vermiculite_SO -7.40 38.48 45.88 (Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2 + Vivianite -2.72 0.40 3.12 Fe3(PO4)2:8H2O + Wairakite 3.19 17.61 14.42 CaAl2Si4O12:2H2O + Witherite -2.75 -11.31 -8.56 Ba(CO3) + Xonotlite -54.49 36.85 91.34 Ca6Si6O17(OH)2 + Zeolite_CaP 8.06 53.21 45.15 Ca2Al4Si4O16:9H2O + Zn(cr) -37.13 -11.34 25.79 Zn + Zn(SeO4):6H2O(s) -12.80 -14.34 -1.54 Zn(SeO4):6H2O + Zn3(AsO4)2(s) 1.14 -26.31 -27.45 Zn3(AsO4)2 + ZnB2O4(s) -5.46 -15.65 -10.19 ZnB2O4 + Zr(cr) -139.59 -47.00 92.59 Zr + Zr(HPO4)2(alfa) 1.41 -30.86 -32.27 Zr(HPO4)2 + Zr(HPO4)2:H2O(cr) -3.78 -30.86 -27.08 Zr(HPO4)2:H2O Zr(OH)4(am,aged) 2.55 -3.00 -5.55 Zr(OH)4 Zr(OH)4(am,fresh) 0.24 -3.00 -3.24 Zr(OH)4 - Zr(SO4)2(cr) -39.60 -38.36 1.24 Zr(SO4)2 - Zr(SO4)2:4H2O(s) -30.71 -38.36 -7.65 Zr(SO4)2:4H2O - ZrBr4(cr) -82.79 -44.27 38.52 ZrBr4 - ZrCl(s) -115.36 18.37 133.72 ZrCl - ZrCl2(s) -96.89 -2.25 94.64 ZrCl2 - ZrCl3(s) -85.08 -22.86 62.22 ZrCl3 - ZrCl4(s) -72.08 -43.48 28.60 ZrCl4 - ZrF2(s) -80.97 -5.37 75.60 ZrF2 - ZrF3(s) -51.84 -27.54 24.29 ZrF3 - ZrF4(beta) -22.47 -49.72 -27.25 ZrF4 + Zr(SO4)2(cr) -39.63 -38.39 1.24 Zr(SO4)2 + Zr(SO4)2:4H2O(s) -30.74 -38.39 -7.65 Zr(SO4)2:4H2O + ZrBr4(cr) -82.78 -44.26 38.52 ZrBr4 + ZrCl(s) -115.36 -46.12 69.24 ZrCl + ZrCl2(s) -96.89 -45.24 51.65 ZrCl2 + ZrCl3(s) -85.09 -44.37 40.72 ZrCl3 + ZrCl4(s) -72.09 -43.49 28.60 ZrCl4 + ZrF2(s) -81.01 -48.40 32.61 ZrF2 + ZrF3(s) -51.90 -49.10 2.80 ZrF3 + ZrF4(beta) -22.56 -49.81 -27.25 ZrF4 ZrI4(cr) -96.73 -52.14 44.59 ZrI4 ZrO2(cr) 4.00 -3.00 -7.00 ZrO2 - ZrSiO4(s) 6.92 -7.44 -14.36 ZrSiO4 + ZrSiO4(s) 6.86 -7.50 -14.36 ZrSiO4 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. diff --git a/mytest/count_database_species_101.sel b/mytest/count_database_species_101.sel index 79402e9de..410915bdf 100644 --- a/mytest/count_database_species_101.sel +++ b/mytest/count_database_species_101.sel @@ -1,2 +1,2 @@ Mu SC - 0.047478197449 0.0000000000 + 0.049466546798 0.0000000000 diff --git a/mytest/sit_edl.out b/mytest/sit_edl.out index e1dfa4670..bbe528964 100644 --- a/mytest/sit_edl.out +++ b/mytest/sit_edl.out @@ -1,4 +1,3 @@ -WARNING: Database file from DATABASE keyword is used; command line argument ignored. Input file: sit_edl Output file: sit_edl.out Database file: ../database/sit.dat @@ -179,73 +178,65 @@ Initial solution 1. Activity of water = 1.000 Ionic strength (mol/kgw) = 3.765e-04 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 6.740e-05 + Total alkalinity (eq/kg) = 6.858e-05 Temperature (°C) = 25.00 - Electrical balance (eq) = -5.048e-17 + Electrical balance (eq) = -5.058e-17 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 10 Gamma iterations = 2 Osmotic coefficient = 0.99314 - Total H = 1.110214e+02 - Total O = 5.551200e+01 + Total H = 1.110190e+02 + Total O = 5.551077e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 6.271e-06 6.134e-06 -5.203 -5.212 -0.010 (0) + OH- 6.272e-06 6.134e-06 -5.203 -5.212 -0.010 (0) H+ 1.667e-09 1.630e-09 -8.778 -8.788 -0.010 0.00 H2O 5.551e+01 1.000e+00 1.744 -0.000 0.000 18.07 Al 7.000e-06 Al(OH)4- 6.968e-06 6.816e-06 -5.157 -5.166 -0.010 (0) Al(OH)3 3.131e-08 3.131e-08 -7.504 -7.504 0.000 (0) - NaAl(OH)4 1.970e-10 1.970e-10 -9.706 -9.706 0.000 (0) + NaAl(OH)4 1.969e-10 1.969e-10 -9.706 -9.706 0.000 (0) Al(OH)2+ 3.611e-11 3.532e-11 -10.442 -10.452 -0.010 (0) - KAl(OH)4 2.979e-11 2.979e-11 -10.526 -10.526 0.000 (0) Al(OH)+2 2.683e-14 2.456e-14 -13.571 -13.610 -0.038 (0) - AlH3SiO4+2 3.652e-15 3.343e-15 -14.437 -14.476 -0.038 (0) + AlH3SiO4+2 3.651e-15 3.342e-15 -14.438 -14.476 -0.038 (0) Al+3 4.355e-18 3.568e-18 -17.361 -17.448 -0.087 (0) - Al(SO4)+ 4.939e-19 4.830e-19 -18.306 -18.316 -0.010 (0) -H(0) 4.421e-29 - H2 2.211e-29 2.211e-29 -28.655 -28.655 0.000 (0) + Al(SO4)+ 4.938e-19 4.830e-19 -18.306 -18.316 -0.010 (0) +H(0) 4.420e-29 + H2 2.210e-29 2.210e-29 -28.656 -28.656 0.000 (0) K 1.000e-04 K+ 1.000e-04 9.781e-05 -4.000 -4.010 -0.010 (0) - KAl(OH)4 2.979e-11 2.979e-11 -10.526 -10.526 0.000 (0) Mo 5.500e-06 MoO4-2 5.500e-06 5.034e-06 -5.260 -5.298 -0.038 (0) HMoO4- 1.081e-10 1.057e-10 -9.966 -9.976 -0.010 (0) - H2MoO4 1.890e-15 1.890e-15 -14.724 -14.724 0.000 (0) + H2MoO4 1.889e-15 1.889e-15 -14.724 -14.724 0.000 (0) Mo2O5(OH)+ 2.982e-36 2.917e-36 -35.525 -35.535 -0.010 (0) Mo7O24-6 0.000e+00 0.000e+00 -56.693 -57.039 -0.346 (0) Mo7O23(OH)-5 0.000e+00 0.000e+00 -58.726 -58.967 -0.241 (0) - Mo7O22(OH)2-4 0.000e+00 0.000e+00 -62.100 -62.254 -0.154 (0) + Mo7O22(OH)2-4 0.000e+00 0.000e+00 -62.100 -62.255 -0.154 (0) Mo+3 0.000e+00 0.000e+00 -65.754 -65.840 -0.087 (0) Mo7O21(OH)3-3 0.000e+00 0.000e+00 -67.186 -67.272 -0.087 (0) - Mo19O59-4 0.000e+00 0.000e+00 -202.994 -203.148 -0.154 (0) + Mo19O59-4 0.000e+00 0.000e+00 -202.995 -203.148 -0.154 (0) N(5) 1.000e-05 NO3- 1.000e-05 9.781e-06 -5.000 -5.010 -0.010 (0) Na 1.700e-04 Na+ 1.700e-04 1.663e-04 -3.770 -3.779 -0.010 (0) - NaAl(OH)4 1.970e-10 1.970e-10 -9.706 -9.706 0.000 (0) -O(0) 2.966e-35 - O2 1.483e-35 1.483e-35 -34.829 -34.829 0.000 (0) - HSO5- 0.000e+00 0.000e+00 -47.451 -47.461 -0.010 (0) - Se2-2 0.000e+00 0.000e+00 -54.967 -55.005 -0.038 (0) - S2O8-2 0.000e+00 0.000e+00 -65.418 -65.457 -0.038 (0) - Mo+3 0.000e+00 0.000e+00 -65.754 -65.840 -0.087 (0) - Se3-2 0.000e+00 0.000e+00 -66.479 -66.518 -0.038 (0) - Se4-2 0.000e+00 0.000e+00 -79.592 -79.630 -0.038 (0) + NaAl(OH)4 1.969e-10 1.969e-10 -9.706 -9.706 0.000 (0) +O(0) 2.898e-35 + O2 1.449e-35 1.449e-35 -34.839 -34.839 0.000 (0) S(6) 1.000e-04 SO4-2 1.000e-04 9.152e-05 -4.000 -4.038 -0.038 (0) H(SO4)- 1.457e-11 1.425e-11 -10.837 -10.846 -0.010 (0) - Al(SO4)+ 4.939e-19 4.830e-19 -18.306 -18.316 -0.010 (0) + Al(SO4)+ 4.938e-19 4.830e-19 -18.306 -18.316 -0.010 (0) HSO5- 0.000e+00 0.000e+00 -47.451 -47.461 -0.010 (0) - S2O8-2 0.000e+00 0.000e+00 -65.418 -65.457 -0.038 (0) + S2O8-2 0.000e+00 0.000e+00 -65.419 -65.457 -0.038 (0) Sb(3) 2.446e-18 Sb(OH)3 2.444e-18 2.444e-18 -17.612 -17.612 0.000 (0) Sb(OH)4- 2.320e-21 2.269e-21 -20.635 -20.644 -0.010 (0) - Sb(OH)2+ 8.708e-26 8.517e-26 -25.060 -25.070 -0.010 (0) + Sb(OH)2+ 8.708e-26 8.518e-26 -25.060 -25.070 -0.010 (0) Sb(OH)+2 3.899e-35 3.569e-35 -34.409 -34.447 -0.038 (0) Sb+3 0.000e+00 0.000e+00 -44.619 -44.705 -0.087 (0) Sb(5) 2.000e-08 @@ -253,33 +244,33 @@ Sb(5) 2.000e-08 Sb(OH)5 1.674e-14 1.674e-14 -13.776 -13.776 0.000 (0) Sb(OH)4+ 1.533e-26 1.499e-26 -25.815 -25.824 -0.010 (0) Sb12(OH)67-7 0.000e+00 0.000e+00 -97.261 -97.732 -0.471 (0) - Sb12(OH)66-6 0.000e+00 0.000e+00 -100.353 -100.700 -0.346 (0) + Sb12(OH)66-6 0.000e+00 0.000e+00 -100.354 -100.700 -0.346 (0) Sb12(OH)65-5 0.000e+00 0.000e+00 -104.417 -104.657 -0.240 (0) Sb12(OH)64-4 0.000e+00 0.000e+00 -109.671 -109.825 -0.154 (0) -Se(-2) 9.316e-39 - HSe- 9.316e-39 9.112e-39 -38.031 -38.040 -0.010 (0) +Se(-2) 9.319e-39 + HSe- 9.319e-39 9.115e-39 -38.031 -38.040 -0.010 (0) H2Se 0.000e+00 0.000e+00 -42.978 -42.978 0.000 (0) - Se-2 0.000e+00 0.000e+00 -44.124 -44.163 -0.038 (0) - Se2-2 0.000e+00 0.000e+00 -54.967 -55.005 -0.038 (0) - Se3-2 0.000e+00 0.000e+00 -66.479 -66.518 -0.038 (0) - Se4-2 0.000e+00 0.000e+00 -79.592 -79.630 -0.038 (0) + Se-2 0.000e+00 0.000e+00 -44.124 -44.162 -0.038 (0) + Se2-2 0.000e+00 0.000e+00 -54.966 -55.005 -0.038 (0) + Se3-2 0.000e+00 0.000e+00 -66.479 -66.517 -0.038 (0) + Se4-2 0.000e+00 0.000e+00 -79.591 -79.630 -0.038 (0) Se(4) 1.297e-06 - SeO3-2 9.609e-07 8.794e-07 -6.017 -6.056 -0.038 (0) + SeO3-2 9.609e-07 8.795e-07 -6.017 -6.056 -0.038 (0) H(SeO3)- 3.358e-07 3.284e-07 -6.474 -6.484 -0.010 (0) H2(SeO3) 2.337e-13 2.337e-13 -12.631 -12.631 0.000 (0) Se(6) 3.298e-09 - SeO4-2 3.298e-09 3.019e-09 -8.482 -8.520 -0.038 (0) + SeO4-2 3.298e-09 3.018e-09 -8.482 -8.520 -0.038 (0) H(SeO4)- 2.829e-16 2.767e-16 -15.548 -15.558 -0.010 (0) Si 4.000e-04 H4(SiO4) 3.663e-04 3.663e-04 -3.436 -3.436 0.000 (0) H3(SiO4)- 3.320e-05 3.248e-05 -4.479 -4.488 -0.010 (0) Si2O2(OH)5- 2.661e-07 2.602e-07 -6.575 -6.585 -0.010 (0) Si2O3(OH)4-2 2.196e-09 2.010e-09 -8.658 -8.697 -0.038 (0) - H2(SiO4)-2 1.091e-09 9.984e-10 -8.962 -9.001 -0.038 (0) + H2(SiO4)-2 1.091e-09 9.985e-10 -8.962 -9.001 -0.038 (0) Si4O6(OH)6-2 1.859e-12 1.701e-12 -11.731 -11.769 -0.038 (0) Si3O6(OH)3-3 6.939e-14 5.685e-14 -13.159 -13.245 -0.087 (0) - Si3O5(OH)5-3 5.512e-14 4.515e-14 -13.259 -13.345 -0.087 (0) - AlH3SiO4+2 3.652e-15 3.343e-15 -14.437 -14.476 -0.038 (0) + Si3O5(OH)5-3 5.512e-14 4.516e-14 -13.259 -13.345 -0.087 (0) + AlH3SiO4+2 3.651e-15 3.342e-15 -14.438 -14.476 -0.038 (0) Si4O7(OH)6-4 2.885e-18 2.024e-18 -17.540 -17.694 -0.154 (0) Si4O8(OH)4-4 2.292e-18 1.608e-18 -17.640 -17.794 -0.154 (0) Si6O15-6 4.525e-30 2.039e-30 -29.344 -29.691 -0.346 (0) @@ -288,10 +279,10 @@ Si 4.000e-04 Phase SI** log IAP log K(298 K, 1 atm) - Al(s) -114.88 35.04 149.92 Al + Al(cr) -114.88 -29.45 85.43 Al Albite-high -0.52 3.62 4.14 NaAlSi3O8 Albite-low 0.88 3.62 2.74 NaAlSi3O8 - Analcime 0.23 6.88 6.65 Na0.99Al0.99Si2.01O6:H2O + Analcime 0.24 6.88 6.64 Na0.99Al0.99Si2.01O6:H2O Arcanite -10.21 -12.06 -1.85 K2SO4 Beidellite-K 5.31 9.91 4.60 K0.34Al2.34Si3.66O10(OH)2 Beidellite-Na 4.89 9.99 5.10 Na0.34Al2.34Si3.66O10(OH)2 @@ -300,54 +291,56 @@ Si 4.000e-04 Clinoptilolite_Na -1.43 -1.52 -0.09 Na1.1(Si4.9Al1.1)O12:3.5H2O Corundum -0.47 17.83 18.30 Al2O3 Cristobalite -0.28 -3.44 -3.16 SiO2 - Diaspore 2.06 8.92 6.86 AlO(OH) + Diaspore 2.05 8.92 6.87 AlO(OH) Dickite 1.57 10.96 9.39 Al2Si2O5(OH)4 Downeyite -15.48 -23.63 -8.15 SeO2 Gibbsite 1.18 8.92 7.74 Al(OH)3 Glaserite -40.16 -47.77 -7.61 Na2K6(SO4)4 - H2(g) -25.58 17.41 42.99 H2 + H2(g) -25.58 -25.58 0.00 H2 H2MoO4(s) -9.70 -22.87 -13.17 H2MoO4 - H2O(g) -1.50 -0.00 1.50 H2O + H2O(g) -1.50 -43.00 -41.50 H2O Halloysite 0.64 10.96 10.32 Al2Si2O5(OH)4 - HBeidellite-K 7.67 9.91 2.24 K0.34Al2.34Si3.66O10(OH)2:1.96H2O - HBeidellite-Na 8.13 9.99 1.86 Na0.34Al2.34Si3.66O10(OH)2:3.84H2O + HBeidellite-K 7.69 9.91 2.22 K0.34Al2.34Si3.66O10(OH)2:1.96H2O + HBeidellite-Na 8.16 9.99 1.83 Na0.34Al2.34Si3.66O10(OH)2:3.84H2O Heulandite_Na 3.43 6.23 2.80 Na2.14Al2.14Si6.86O18:6.17H2O Illite-Al 5.63 18.65 13.02 K0.85Al2.85Si3.15O10(OH)2 - K(cr) -57.50 13.49 70.99 K + K(cr) -57.50 -8.01 49.49 K K(NO3)(s) -8.92 -9.02 -0.10 K(NO3) K(OH)(s) -19.82 4.78 24.60 K(OH) K2O(s) -74.55 9.56 84.11 K2O + KAl(OH)4 -10.53 13.69 24.22 KAl(OH)4 KAl(SO4)2(s) -33.27 -29.53 3.74 KAl(SO4)2 KAl(SO4)2:12H2O(s) -22.85 -29.53 -6.68 KAl(SO4)2:12H2O - Kaolinite 4.45 10.96 6.51 Al2(Si2O5)(OH)4 + Kaolinite 4.46 10.96 6.50 Al2(Si2O5)(OH)4 Mercallite -15.44 -16.84 -1.40 KHSO4 - Merlinoite_K -1.98 7.51 9.49 K1.04Al1.04Si1.96O6:1.69H2O - Merlinoite_Na -2.55 7.75 10.30 Na1.04Al1.04Si1.96O6:2.27H2O + Merlinoite_K -1.96 7.51 9.47 K1.04Al1.04Si1.96O6:1.69H2O + Merlinoite_Na -2.54 7.75 10.29 Na1.04Al1.04Si1.96O6:2.27H2O Microcline 3.34 3.39 0.05 KAlSi3O8 Mirabilite -10.37 -11.60 -1.23 Na2SO4:10H2O - Mo(s) -80.02 29.37 109.39 Mo - Mo3O8(s) -30.64 -51.21 -20.57 Mo3O8 - MoO2(s) -18.57 -5.46 13.11 MoO2 + Mo(cr) -80.02 -99.60 -19.58 Mo + Mo3O8(s) -30.64 -94.20 -63.56 Mo3O8 + MoO2(s) -18.57 -48.45 -29.88 MoO2 MoO3(s) -10.89 -22.87 -11.98 MoO3 - Muscovite 8.18 21.22 13.04 KAl3Si3O10(OH)2 - Na(cr) -53.67 13.72 67.38 Na + Muscovite 8.20 21.22 13.02 KAl3Si3O10(OH)2 + N2(g) 54.98 -155.47 -210.45 N2 + Na(cr) -53.67 -7.78 45.89 Na Na(NO3)(s) -9.88 -8.79 1.09 Na(NO3) Na2O(cr) -57.44 10.02 67.46 Na2O - Natrolite -1.79 17.54 19.33 Na2(Al2Si3)O10:2H2O - O2(g) -31.93 -34.83 -2.90 O2 - Paragonite 4.65 21.45 16.80 NaAl3Si3O10(OH)2 + Natrolite -1.77 17.54 19.31 Na2(Al2Si3)O10:2H2O + O2(g) -31.94 -34.84 -2.90 O2 + Paragonite 4.66 21.45 16.79 NaAl3Si3O10(OH)2 Phillipsite_K 3.35 3.39 0.04 KAlSi3O8:3H2O Phillipsite_Na 2.17 3.62 1.45 NaAlSi3O8:3H2O - Pyrophyllite 4.51 4.09 -0.42 Al2Si4O10(OH)2 + Pyrophyllite 4.53 4.09 -0.44 Al2Si4O10(OH)2 Quartz 0.30 -3.44 -3.74 SiO2 Sanidine 2.81 3.39 0.58 KAlSi3O8 - Sb(cr) -44.31 8.51 52.81 Sb + Sb(cr) -44.31 -55.98 -11.67 Sb Sb2O5(s) -20.15 -27.55 -7.40 Sb2O5 - Se(s) -13.63 -64.24 -50.61 Se + Se(s) -13.63 -21.25 -7.62 Se SeO3(cr) -46.46 -26.10 20.36 SeO3 - Si(cr) -117.78 31.39 149.17 Si + Si(cr) -117.78 -54.59 63.19 Si SiO2(am) -0.73 -3.44 -2.71 SiO2 - Thernardite -11.24 -11.60 -0.36 Na2SO4 + Thenardite -11.24 -11.60 -0.36 Na2SO4 Valentinite -26.74 -35.22 -8.48 Sb2O3 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. @@ -381,6 +374,12 @@ Beginning of batch-reaction calculations. Reaction step 1. +WARNING: Maximum iterations exceeded, 200 + +WARNING: Numerical method failed with this set of convergence parameters. + +WARNING: Trying smaller step size, pe step size 10, 5 ... + Using solution 1. Using pure phase assemblage 1. @@ -389,12 +388,12 @@ Using pure phase assemblage 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Aragonite 0.00 -8.31 -8.31 4.960e-02 4.929e-02 -3.140e-04 +Aragonite 0.00 -8.31 -8.31 4.960e-02 4.929e-02 -3.141e-04 Brucite -5.10 12.00 17.10 0.000e+00 0 0.000e+00 -CO2(g) -3.40 -21.55 -18.15 1.000e+01 1.000e+01 -4.979e-04 -CaMgSr(CO3)2 0.00 2.75 2.75 2.850e-02 2.842e-02 -7.530e-05 +CO2(g) -3.40 -21.55 -18.15 1.000e+01 1.000e+01 -4.981e-04 +CaMgSr(CO3)2 0.00 2.75 2.75 2.850e-02 2.842e-02 -7.528e-05 Calcite 0.17 -8.31 -8.48 6.700e-01 6.700e-01 0.000e+00 -Ferrihydrite(am) -0.00 2.54 2.54 1.800e-03 1.800e-03 -5.738e-09 +Ferrihydrite(am) -0.00 3.92 3.92 1.800e-03 1.800e-03 -1.210e-07 Gibbsite -0.00 7.74 7.74 0.000e+00 6.884e-06 6.884e-06 Gypsum -1.64 -6.25 -4.61 9.000e-04 0 -9.000e-04 O2(g) -0.70 -3.60 -2.90 1.000e+01 1.000e+01 -2.518e-04 @@ -405,11 +404,11 @@ Strontianite -1.79 -11.06 -9.27 0.000e+00 0 0.000e+00 Elements Molality Moles Al 1.156e-07 1.156e-07 - C 9.625e-04 9.625e-04 + C 9.627e-04 9.627e-04 Ca 1.289e-03 1.289e-03 - Fe 5.738e-09 5.738e-09 + Fe 1.211e-07 1.211e-07 K 1.000e-04 1.000e-04 - Mg 7.304e-05 7.304e-05 + Mg 7.303e-05 7.303e-05 Mo 5.508e-06 5.508e-06 N 1.000e-05 1.000e-05 Na 1.700e-04 1.700e-04 @@ -422,20 +421,20 @@ Strontianite -1.79 -11.06 -9.27 0.000e+00 0 0.000e+00 ----------------------------Description of solution---------------------------- pH = 8.153 Charge balance - pe = 12.442 Adjusted to redox equilibrium + pe = 12.445 Adjusted to redox equilibrium Activity of water = 1.000 Ionic strength (mol/kgw) = 4.849e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.760e-04 - Total CO2 (mol/kg) = 9.625e-04 + Total CO2 (mol/kg) = 9.627e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.958e-13 + Electrical balance (eq) = -1.686e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 23 + Iterations = 25 (226 overall) Gamma iterations = 4 Osmotic coefficient = 0.94484 - Total H = 1.110250e+02 - Total O = 5.552028e+01 + Total H = 1.110225e+02 + Total O = 5.551905e+01 ----------------------------Distribution of species---------------------------- @@ -450,279 +449,258 @@ Al 1.156e-07 Al(OH)3 2.089e-09 2.089e-09 -8.680 -8.680 0.000 (0) Al(OH)2+ 1.095e-11 1.017e-11 -10.961 -10.993 -0.032 (0) NaAl(OH)4 2.889e-12 2.889e-12 -11.539 -11.539 0.000 (0) - KAl(OH)4 4.372e-13 4.372e-13 -12.359 -12.359 0.000 (0) - Al(OH)+2 4.102e-14 3.051e-14 -13.387 -13.516 -0.129 (0) + Al(OH)+2 4.103e-14 3.051e-14 -13.387 -13.516 -0.129 (0) AlH3SiO4+2 5.962e-15 4.434e-15 -14.225 -14.353 -0.129 (0) - Al+3 3.724e-17 1.913e-17 -16.429 -16.718 -0.289 (0) + Al+3 3.725e-17 1.913e-17 -16.429 -16.718 -0.289 (0) Al(SO4)+ 1.992e-17 1.850e-17 -16.701 -16.733 -0.032 (0) C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -148.120 -148.120 0.000 (0) -C(4) 9.625e-04 - HCO3- 9.223e-04 8.565e-04 -3.035 -3.067 -0.032 (0) + CH4 0.000e+00 0.000e+00 -148.400 -148.400 0.000 (0) + CH3- 0.000e+00 0.000e+00 -186.215 -186.247 -0.032 (0) +C(4) 9.627e-04 + HCO3- 9.224e-04 8.566e-04 -3.035 -3.067 -0.032 (0) CO2 1.349e-05 1.349e-05 -4.870 -4.870 0.000 (0) - Ca(HCO3)+ 9.984e-06 9.272e-06 -5.001 -5.033 -0.032 (0) + Ca(HCO3)+ 9.985e-06 9.272e-06 -5.001 -5.033 -0.032 (0) CaCO3 8.128e-06 8.128e-06 -5.090 -5.090 0.000 (0) CO3-2 7.660e-06 5.696e-06 -5.116 -5.244 -0.129 (0) Mg(HCO3)+ 5.018e-07 4.660e-07 -6.299 -6.332 -0.032 (0) Mg(CO3) 2.699e-07 2.699e-07 -6.569 -6.569 0.000 (0) + Fe(OH)CO3 1.175e-07 1.175e-07 -6.930 -6.930 0.000 (0) Na(HCO3) 7.598e-08 7.598e-08 -7.119 -7.119 0.000 (0) - Sr(HCO3)+ 2.112e-08 1.962e-08 -7.675 -7.707 -0.032 (0) + Sr(HCO3)+ 2.112e-08 1.961e-08 -7.675 -7.707 -0.032 (0) Na(CO3)- 1.802e-08 1.673e-08 -7.744 -7.776 -0.032 (0) - FeCO3OH 5.623e-09 5.623e-09 -8.250 -8.250 0.000 (0) Sr(CO3) 5.564e-09 5.564e-09 -8.255 -8.255 0.000 (0) - Fe(CO3)3-3 7.546e-14 3.875e-14 -13.122 -13.412 -0.289 (0) - Fe(CO3) 1.245e-21 1.245e-21 -20.905 -20.905 0.000 (0) - FeCO3OH- 3.630e-23 3.371e-23 -22.440 -22.472 -0.032 (0) - FeHCO3+ 1.133e-23 1.052e-23 -22.946 -22.978 -0.032 (0) - Fe(CO3)2-2 5.485e-25 4.079e-25 -24.261 -24.389 -0.129 (0) - CO 0.000e+00 0.000e+00 -51.140 -51.140 0.000 (0) + Fe(CO3)3-3 1.042e-12 5.351e-13 -11.982 -12.272 -0.289 (0) + FeCO3 1.237e-20 1.237e-20 -19.907 -19.907 0.000 (0) + Fe(CO3)2-2 5.582e-24 4.151e-24 -23.253 -23.382 -0.129 (0) + CO 0.000e+00 0.000e+00 -51.145 -51.145 0.000 (0) Ca 1.289e-03 Ca+2 1.156e-03 8.598e-04 -2.937 -3.066 -0.129 (0) Ca(SO4) 1.148e-04 1.148e-04 -3.940 -3.940 0.000 (0) - Ca(HCO3)+ 9.984e-06 9.272e-06 -5.001 -5.033 -0.032 (0) + Ca(HCO3)+ 9.985e-06 9.272e-06 -5.001 -5.033 -0.032 (0) CaCO3 8.128e-06 8.128e-06 -5.090 -5.090 0.000 (0) Ca(SeO4) 7.774e-08 7.774e-08 -7.109 -7.109 0.000 (0) Ca(H3SiO4)+ 7.615e-08 7.072e-08 -7.118 -7.150 -0.032 (0) Ca(OH)+ 2.185e-08 2.029e-08 -7.661 -7.693 -0.032 (0) - Ca(NH3)+2 0.000e+00 0.000e+00 -70.982 -71.111 -0.129 (0) - Ca(NH3)2+2 0.000e+00 0.000e+00 -139.527 -139.655 -0.129 (0) - Ca(S2O3) 0.000e+00 0.000e+00 -150.040 -150.040 0.000 (0) - Ca(NH3)3+2 0.000e+00 0.000e+00 -208.272 -208.400 -0.129 (0) - Ca(NH3)4+2 0.000e+00 0.000e+00 -277.317 -277.445 -0.129 (0) -Fe(2) 1.961e-21 - Fe(CO3) 1.245e-21 1.245e-21 -20.905 -20.905 0.000 (0) - Fe+2 5.999e-22 4.461e-22 -21.222 -21.351 -0.129 (0) - Fe(SO4) 4.624e-23 4.624e-23 -22.335 -22.335 0.000 (0) - FeCO3OH- 3.630e-23 3.371e-23 -22.440 -22.472 -0.032 (0) - Fe(OH)+ 2.160e-23 2.006e-23 -22.666 -22.698 -0.032 (0) - FeHCO3+ 1.133e-23 1.052e-23 -22.946 -22.978 -0.032 (0) - Fe(CO3)2-2 5.485e-25 4.079e-25 -24.261 -24.389 -0.129 (0) - Fe(SeO4) 2.069e-25 2.069e-25 -24.684 -24.684 0.000 (0) - Fe(OH)2 2.265e-26 2.265e-26 -25.645 -25.645 0.000 (0) - Fe(OH)3- 1.738e-29 1.614e-29 -28.760 -28.792 -0.032 (0) - Fe(HSO4)+ 2.596e-30 2.411e-30 -29.586 -29.618 -0.032 (0) - Fe(OH)4-2 2.450e-35 1.822e-35 -34.611 -34.739 -0.129 (0) - Fe(NH3)+2 0.000e+00 0.000e+00 -87.867 -87.995 -0.129 (0) - Fe(NH3)2+2 0.000e+00 0.000e+00 -155.012 -155.140 -0.129 (0) - Fe(HS)+ 0.000e+00 0.000e+00 -159.386 -159.418 -0.032 (0) - Fe(NH3)4+2 0.000e+00 0.000e+00 -289.402 -289.530 -0.129 (0) - Fe(HS)2 0.000e+00 0.000e+00 -299.715 -299.715 0.000 (0) -Fe(3) 5.738e-09 - FeCO3OH 5.623e-09 5.623e-09 -8.250 -8.250 0.000 (0) - Fe(OH)3 9.550e-11 9.550e-11 -10.020 -10.020 0.000 (0) - Fe(OH)4- 1.333e-11 1.238e-11 -10.875 -10.907 -0.032 (0) - Fe(OH)2+ 5.615e-12 5.215e-12 -11.251 -11.283 -0.032 (0) - Fe(CO3)3-3 7.546e-14 3.875e-14 -13.122 -13.412 -0.289 (0) - Fe(OH)+2 1.490e-16 1.108e-16 -15.827 -15.956 -0.129 (0) - Fe(H3SiO4)+2 2.067e-17 1.537e-17 -16.685 -16.813 -0.129 (0) - Fe(SO4)+ 1.070e-21 9.936e-22 -20.971 -21.003 -0.032 (0) - Fe+3 2.350e-22 1.207e-22 -21.629 -21.918 -0.289 (0) - Fe(SO4)2- 1.396e-23 1.297e-23 -22.855 -22.887 -0.032 (0) - Fe(NO3)+2 1.343e-26 9.988e-27 -25.872 -26.001 -0.129 (0) - FeHSO4+2 2.203e-29 1.638e-29 -28.657 -28.786 -0.129 (0) - Fe(SeO3)+ 1.175e-30 1.091e-30 -29.930 -29.962 -0.032 (0) - Fe2(OH)2+4 1.080e-30 3.303e-31 -29.967 -30.481 -0.515 (0) - Fe(HSeO3)+2 1.636e-37 1.216e-37 -36.786 -36.915 -0.129 (0) - Fe3(OH)4+5 2.291e-39 3.598e-40 -38.640 -39.444 -0.804 (0) - FeS2O3+ 0.000e+00 0.000e+00 -166.861 -166.893 -0.032 (0) + Ca(NH3)+2 0.000e+00 0.000e+00 -71.102 -71.231 -0.129 (0) + Ca(NH3)2+2 0.000e+00 0.000e+00 -139.767 -139.896 -0.129 (0) + Ca(S2O3) 0.000e+00 0.000e+00 -150.600 -150.600 0.000 (0) + Ca(NH3)3+2 0.000e+00 0.000e+00 -208.632 -208.761 -0.129 (0) + Ca(NH3)4+2 0.000e+00 0.000e+00 -277.797 -277.926 -0.129 (0) +Fe(2) 3.118e-20 + Fe+2 1.569e-20 1.167e-20 -19.804 -19.933 -0.129 (0) + FeCO3 1.237e-20 1.237e-20 -19.907 -19.907 0.000 (0) + Fe(SO4) 2.101e-21 2.101e-21 -20.677 -20.677 0.000 (0) + Fe(OH)+ 1.004e-21 9.327e-22 -20.998 -21.030 -0.032 (0) + Fe(CO3)2-2 5.582e-24 4.151e-24 -23.253 -23.382 -0.129 (0) + Fe(SeO4) 5.410e-24 5.410e-24 -23.267 -23.267 0.000 (0) + Fe(OH)2 3.408e-25 3.408e-25 -24.467 -24.467 0.000 (0) + Fe(OH)3- 5.217e-30 4.845e-30 -29.283 -29.315 -0.032 (0) + Fe(OH)4-2 3.067e-34 2.281e-34 -33.513 -33.642 -0.129 (0) + Fe(NH3)+2 0.000e+00 0.000e+00 -86.569 -86.698 -0.129 (0) + Fe(NH3)2+2 0.000e+00 0.000e+00 -153.834 -153.963 -0.129 (0) + Fe(HS)+ 0.000e+00 0.000e+00 -157.988 -158.020 -0.032 (0) + Fe(NH3)4+2 0.000e+00 0.000e+00 -288.464 -288.593 -0.129 (0) + Fe(HS)2 0.000e+00 0.000e+00 -298.338 -298.338 0.000 (0) +Fe(3) 1.211e-07 + Fe(OH)CO3 1.175e-07 1.175e-07 -6.930 -6.930 0.000 (0) + Fe(OH)3 2.291e-09 2.291e-09 -8.640 -8.640 0.000 (0) + Fe(OH)2+ 9.986e-10 9.273e-10 -9.001 -9.033 -0.032 (0) + Fe(OH)4- 3.198e-10 2.970e-10 -9.495 -9.527 -0.032 (0) + Fe(CO3)3-3 1.042e-12 5.351e-13 -11.982 -12.272 -0.289 (0) + Fe(OH)+2 3.918e-15 2.914e-15 -14.407 -14.536 -0.129 (0) + Fe(H3SiO4)+2 4.959e-16 3.688e-16 -15.305 -15.433 -0.129 (0) + Fe(SO4)+ 3.626e-20 3.367e-20 -19.441 -19.473 -0.032 (0) + Fe+3 5.637e-21 2.895e-21 -20.249 -20.538 -0.289 (0) + Fe(SO4)2- 2.213e-21 2.055e-21 -20.655 -20.687 -0.032 (0) + Fe(NO3)+2 3.222e-25 2.396e-25 -24.492 -24.620 -0.129 (0) + Fe2(OH)2+4 8.383e-28 2.564e-28 -27.077 -27.591 -0.515 (0) + Fe(SeO3)+ 2.787e-29 2.588e-29 -28.555 -28.587 -0.032 (0) + Fe3(OH)4+5 3.163e-35 4.967e-36 -34.500 -35.304 -0.804 (0) + Fe(HSeO3)+2 3.879e-36 2.885e-36 -35.411 -35.540 -0.129 (0) + FeS2O3+ 0.000e+00 0.000e+00 -165.491 -165.523 -0.032 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -44.270 -44.270 0.000 (0) + H2 0.000e+00 0.000e+00 -44.275 -44.275 0.000 (0) K 1.000e-04 K+ 1.000e-04 9.286e-05 -4.000 -4.032 -0.032 (0) - KAl(OH)4 4.372e-13 4.372e-13 -12.359 -12.359 0.000 (0) -Mg 7.304e-05 - Mg+2 6.672e-05 4.962e-05 -4.176 -4.304 -0.129 (0) - Mg(SO4) 5.511e-06 5.511e-06 -5.259 -5.259 0.000 (0) +Mg 7.303e-05 + Mg+2 6.671e-05 4.961e-05 -4.176 -4.304 -0.129 (0) + Mg(SO4) 5.510e-06 5.510e-06 -5.259 -5.259 0.000 (0) Mg(HCO3)+ 5.018e-07 4.660e-07 -6.299 -6.332 -0.032 (0) Mg(CO3) 2.699e-07 2.699e-07 -6.569 -6.569 0.000 (0) Mg(OH)+ 1.587e-08 1.474e-08 -7.799 -7.832 -0.032 (0) - Mg(H3SiO4)+ 7.815e-09 7.257e-09 -8.107 -8.139 -0.032 (0) - Mg(SeO4) 7.110e-09 7.110e-09 -8.148 -8.148 0.000 (0) - Mg4(OH)4+4 1.440e-24 4.403e-25 -23.842 -24.356 -0.515 (0) - Mg(NH3)+2 0.000e+00 0.000e+00 -72.021 -72.149 -0.129 (0) - Mg(S2O3) 0.000e+00 0.000e+00 -151.359 -151.359 0.000 (0) - Mg(NH3)3+2 0.000e+00 0.000e+00 -208.310 -208.439 -0.129 (0) - Mg(NH3)4+2 0.000e+00 0.000e+00 -276.955 -277.084 -0.129 (0) + Mg(H3SiO4)+ 7.813e-09 7.256e-09 -8.107 -8.139 -0.032 (0) + Mg(SeO4) 7.109e-09 7.109e-09 -8.148 -8.148 0.000 (0) + Mg4(OH)4+4 1.439e-24 4.400e-25 -23.842 -24.357 -0.515 (0) + Mg(NH3)+2 0.000e+00 0.000e+00 -72.141 -72.269 -0.129 (0) + Mg(NH3)2+2 0.000e+00 0.000e+00 -140.306 -140.434 -0.129 (0) + Mg(S2O3) 0.000e+00 0.000e+00 -151.369 -151.369 0.000 (0) + Mg(NH3)3+2 0.000e+00 0.000e+00 -208.671 -208.799 -0.129 (0) + Mg(NH3)4+2 0.000e+00 0.000e+00 -277.436 -277.564 -0.129 (0) Mo 5.508e-06 MoO4-2 5.508e-06 4.096e-06 -5.259 -5.388 -0.129 (0) - HMoO4- 3.997e-10 3.712e-10 -9.398 -9.430 -0.032 (0) + HMoO4- 3.997e-10 3.711e-10 -9.398 -9.430 -0.032 (0) H2MoO4 2.862e-14 2.862e-14 -13.543 -13.543 0.000 (0) Mo2O5(OH)+ 3.111e-33 2.889e-33 -32.507 -32.539 -0.032 (0) Mo7O24-6 0.000e+00 0.000e+00 -51.428 -52.586 -1.158 (0) Mo7O23(OH)-5 0.000e+00 0.000e+00 -53.075 -53.879 -0.804 (0) - Mo7O22(OH)2-4 0.000e+00 0.000e+00 -56.017 -56.532 -0.515 (0) + Mo7O22(OH)2-4 0.000e+00 0.000e+00 -56.017 -56.531 -0.515 (0) Mo7O21(OH)3-3 0.000e+00 0.000e+00 -60.625 -60.914 -0.290 (0) - Mo+3 0.000e+00 0.000e+00 -85.887 -86.177 -0.289 (0) - Mo19O59-4 0.000e+00 0.000e+00 -182.746 -183.261 -0.515 (0) + Mo+3 0.000e+00 0.000e+00 -85.895 -86.184 -0.289 (0) + Mo19O59-4 0.000e+00 0.000e+00 -182.746 -183.260 -0.515 (0) N(-3) 0.000e+00 - NH4+ 0.000e+00 0.000e+00 -66.836 -66.868 -0.032 (0) - NH3 0.000e+00 0.000e+00 -67.945 -67.945 0.000 (0) - Ca(NH3)+2 0.000e+00 0.000e+00 -70.982 -71.111 -0.129 (0) - Mg(NH3)+2 0.000e+00 0.000e+00 -72.021 -72.149 -0.129 (0) - Sr(NH3)+2 0.000e+00 0.000e+00 -74.186 -74.315 -0.129 (0) - Fe(NH3)+2 0.000e+00 0.000e+00 -87.867 -87.995 -0.129 (0) - Ca(NH3)2+2 0.000e+00 0.000e+00 -139.527 -139.655 -0.129 (0) - Fe(NH3)2+2 0.000e+00 0.000e+00 -155.012 -155.140 -0.129 (0) - Ca(NH3)3+2 0.000e+00 0.000e+00 -208.272 -208.400 -0.129 (0) - Mg(NH3)3+2 0.000e+00 0.000e+00 -208.310 -208.439 -0.129 (0) - Mg(NH3)4+2 0.000e+00 0.000e+00 -276.955 -277.084 -0.129 (0) - Ca(NH3)4+2 0.000e+00 0.000e+00 -277.317 -277.445 -0.129 (0) - Fe(NH3)4+2 0.000e+00 0.000e+00 -289.402 -289.530 -0.129 (0) + NH4+ 0.000e+00 0.000e+00 -66.946 -66.978 -0.032 (0) + NH3 0.000e+00 0.000e+00 -68.065 -68.065 0.000 (0) + Ca(NH3)+2 0.000e+00 0.000e+00 -71.102 -71.231 -0.129 (0) + Mg(NH3)+2 0.000e+00 0.000e+00 -72.141 -72.269 -0.129 (0) + Sr(NH3)+2 0.000e+00 0.000e+00 -74.307 -74.435 -0.129 (0) + Fe(NH3)+2 0.000e+00 0.000e+00 -86.569 -86.698 -0.129 (0) + Ca(NH3)2+2 0.000e+00 0.000e+00 -139.767 -139.896 -0.129 (0) + Mg(NH3)2+2 0.000e+00 0.000e+00 -140.306 -140.434 -0.129 (0) + Fe(NH3)2+2 0.000e+00 0.000e+00 -153.834 -153.963 -0.129 (0) + Ca(NH3)3+2 0.000e+00 0.000e+00 -208.632 -208.761 -0.129 (0) + Mg(NH3)3+2 0.000e+00 0.000e+00 -208.671 -208.799 -0.129 (0) + Mg(NH3)4+2 0.000e+00 0.000e+00 -277.436 -277.564 -0.129 (0) + Ca(NH3)4+2 0.000e+00 0.000e+00 -277.797 -277.926 -0.129 (0) + Fe(NH3)4+2 0.000e+00 0.000e+00 -288.464 -288.593 -0.129 (0) N(5) 1.000e-05 NO3- 1.000e-05 9.286e-06 -5.000 -5.032 -0.032 (0) - Sr(NO3)+ 6.024e-11 5.594e-11 -10.220 -10.252 -0.032 (0) - Sr(NO3)2 2.664e-16 2.664e-16 -15.574 -15.574 0.000 (0) - Fe(NO3)+2 1.343e-26 9.988e-27 -25.872 -26.001 -0.129 (0) + Sr(NO3)+ 6.023e-11 5.593e-11 -10.220 -10.252 -0.032 (0) + Sr(NO3)2 2.664e-16 2.664e-16 -15.575 -15.575 0.000 (0) + Fe(NO3)+2 3.222e-25 2.396e-25 -24.492 -24.620 -0.129 (0) Na 1.700e-04 Na+ 1.699e-04 1.577e-04 -3.770 -3.802 -0.032 (0) Na(HCO3) 7.598e-08 7.598e-08 -7.119 -7.119 0.000 (0) Na(CO3)- 1.802e-08 1.673e-08 -7.744 -7.776 -0.032 (0) NaAl(OH)4 2.889e-12 2.889e-12 -11.539 -11.539 0.000 (0) - Na(S2O3)- 0.000e+00 0.000e+00 -152.034 -152.067 -0.032 (0) + Na(S2O3)- 0.000e+00 0.000e+00 -152.044 -152.077 -0.032 (0) O(0) 5.024e-04 O2 2.512e-04 2.512e-04 -3.600 -3.600 0.000 (0) - HSO5- 4.731e-31 4.393e-31 -30.325 -30.357 -0.032 (0) - S2O8-2 0.000e+00 0.000e+00 -46.736 -46.864 -0.129 (0) - CO 0.000e+00 0.000e+00 -51.140 -51.140 0.000 (0) - Mo+3 0.000e+00 0.000e+00 -85.887 -86.177 -0.289 (0) - Se2-2 0.000e+00 0.000e+00 -157.955 -158.083 -0.129 (0) - S3O6-2 0.000e+00 0.000e+00 -180.836 -180.965 -0.129 (0) - Se3-2 0.000e+00 0.000e+00 -212.564 -212.693 -0.129 (0) - S2-2 0.000e+00 0.000e+00 -254.036 -254.165 -0.129 (0) - Se4-2 0.000e+00 0.000e+00 -268.773 -268.902 -0.129 (0) - S4O6-2 0.000e+00 0.000e+00 -273.537 -273.665 -0.129 (0) - S3-2 0.000e+00 0.000e+00 -359.376 -359.505 -0.129 (0) - S5O6-2 0.000e+00 0.000e+00 -395.637 -395.765 -0.129 (0) - S4-2 0.000e+00 0.000e+00 -465.817 -465.945 -0.129 (0) - S5-2 0.000e+00 0.000e+00 -572.477 -572.605 -0.129 (0) S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -142.375 -142.407 -0.032 (0) - H2S 0.000e+00 0.000e+00 -143.570 -143.570 0.000 (0) - S-2 0.000e+00 0.000e+00 -151.226 -151.355 -0.129 (0) - Fe(HS)+ 0.000e+00 0.000e+00 -159.386 -159.418 -0.032 (0) - S2-2 0.000e+00 0.000e+00 -254.036 -254.165 -0.129 (0) - Fe(HS)2 0.000e+00 0.000e+00 -299.715 -299.715 0.000 (0) - S3-2 0.000e+00 0.000e+00 -359.376 -359.505 -0.129 (0) - S4-2 0.000e+00 0.000e+00 -465.817 -465.945 -0.129 (0) - S5-2 0.000e+00 0.000e+00 -572.477 -572.605 -0.129 (0) - Sb2HS4- 0.000e+00 0.000e+00 -606.373 -606.405 -0.032 (0) - Sb2S4-2 0.000e+00 0.000e+00 -607.643 -607.772 -0.129 (0) - Sb2H2S4 0.000e+00 0.000e+00 -609.648 -609.648 0.000 (0) + HS- 0.000e+00 0.000e+00 -142.395 -142.427 -0.032 (0) + H2S 0.000e+00 0.000e+00 -143.590 -143.590 0.000 (0) + S-2 0.000e+00 0.000e+00 -151.246 -151.374 -0.129 (0) + Fe(HS)+ 0.000e+00 0.000e+00 -157.988 -158.020 -0.032 (0) + S2-2 0.000e+00 0.000e+00 -254.071 -254.199 -0.129 (0) + Fe(HS)2 0.000e+00 0.000e+00 -298.338 -298.338 0.000 (0) + S3-2 0.000e+00 0.000e+00 -359.426 -359.555 -0.129 (0) + S4-2 0.000e+00 0.000e+00 -465.881 -466.010 -0.129 (0) + S5-2 0.000e+00 0.000e+00 -572.556 -572.685 -0.129 (0) + Sb2HS4- 0.000e+00 0.000e+00 -606.462 -606.494 -0.032 (0) + Sb2S4-2 0.000e+00 0.000e+00 -607.733 -607.862 -0.129 (0) + Sb2H2S4 0.000e+00 0.000e+00 -609.737 -609.737 0.000 (0) S(2) 0.000e+00 - S2O3-2 0.000e+00 0.000e+00 -148.746 -148.875 -0.129 (0) - Ca(S2O3) 0.000e+00 0.000e+00 -150.040 -150.040 0.000 (0) - Mg(S2O3) 0.000e+00 0.000e+00 -151.359 -151.359 0.000 (0) - Na(S2O3)- 0.000e+00 0.000e+00 -152.034 -152.067 -0.032 (0) - Sr(S2O3) 0.000e+00 0.000e+00 -152.655 -152.655 0.000 (0) - H(S2O3)- 0.000e+00 0.000e+00 -155.275 -155.307 -0.032 (0) - H2(S2O3) 0.000e+00 0.000e+00 -162.860 -162.860 0.000 (0) - FeS2O3+ 0.000e+00 0.000e+00 -166.861 -166.893 -0.032 (0) + S2O3-2 0.000e+00 0.000e+00 -148.756 -148.884 -0.129 (0) + Ca(S2O3) 0.000e+00 0.000e+00 -150.600 -150.600 0.000 (0) + Mg(S2O3) 0.000e+00 0.000e+00 -151.369 -151.369 0.000 (0) + Na(S2O3)- 0.000e+00 0.000e+00 -152.044 -152.077 -0.032 (0) + Sr(S2O3) 0.000e+00 0.000e+00 -152.665 -152.665 0.000 (0) + H(S2O3)- 0.000e+00 0.000e+00 -155.285 -155.317 -0.032 (0) + H2(S2O3) 0.000e+00 0.000e+00 -162.870 -162.870 0.000 (0) + FeS2O3+ 0.000e+00 0.000e+00 -165.491 -165.523 -0.032 (0) S(3) 0.000e+00 - S2O4-2 0.000e+00 0.000e+00 -135.416 -135.544 -0.129 (0) - HS2O4- 0.000e+00 0.000e+00 -141.165 -141.197 -0.032 (0) - H2S2O4 0.000e+00 0.000e+00 -149.050 -149.050 0.000 (0) + S2O4-2 0.000e+00 0.000e+00 -135.431 -135.559 -0.129 (0) + HS2O4- 0.000e+00 0.000e+00 -141.180 -141.212 -0.032 (0) + H2S2O4 0.000e+00 0.000e+00 -149.065 -149.065 0.000 (0) S(4) 0.000e+00 - SO3-2 0.000e+00 0.000e+00 -47.866 -47.995 -0.129 (0) - H(SO3)- 0.000e+00 0.000e+00 -48.945 -48.977 -0.032 (0) - SO2 0.000e+00 0.000e+00 -55.270 -55.270 0.000 (0) - H2(SO3) 0.000e+00 0.000e+00 -55.270 -55.270 0.000 (0) - S2O5-2 0.000e+00 0.000e+00 -99.316 -99.445 -0.129 (0) - S3O6-2 0.000e+00 0.000e+00 -180.836 -180.965 -0.129 (0) - S4O6-2 0.000e+00 0.000e+00 -273.537 -273.665 -0.129 (0) - S5O6-2 0.000e+00 0.000e+00 -395.637 -395.765 -0.129 (0) + SO3-2 0.000e+00 0.000e+00 -47.871 -47.999 -0.129 (0) + H(SO3)- 0.000e+00 0.000e+00 -48.950 -48.982 -0.032 (0) + SO2 0.000e+00 0.000e+00 -55.275 -55.275 0.000 (0) + H2(SO3) 0.000e+00 0.000e+00 -55.275 -55.275 0.000 (0) + S2O5-2 0.000e+00 0.000e+00 -99.326 -99.454 -0.129 (0) + S3O6-2 0.000e+00 0.000e+00 -180.856 -180.984 -0.129 (0) + S4O6-2 0.000e+00 0.000e+00 -273.571 -273.699 -0.129 (0) + S5O6-2 0.000e+00 0.000e+00 -395.676 -395.805 -0.129 (0) S(6) 1.000e-03 SO4-2 8.795e-04 6.540e-04 -3.056 -3.184 -0.129 (0) Ca(SO4) 1.148e-04 1.148e-04 -3.940 -3.940 0.000 (0) - Mg(SO4) 5.511e-06 5.511e-06 -5.259 -5.259 0.000 (0) + Mg(SO4) 5.510e-06 5.510e-06 -5.259 -5.259 0.000 (0) Sr(SO4) 1.974e-07 1.974e-07 -6.705 -6.705 0.000 (0) H(SO4)- 4.731e-10 4.393e-10 -9.325 -9.357 -0.032 (0) Al(SO4)+ 1.992e-17 1.850e-17 -16.701 -16.733 -0.032 (0) - Fe(SO4)+ 1.070e-21 9.936e-22 -20.971 -21.003 -0.032 (0) - Fe(SO4) 4.624e-23 4.624e-23 -22.335 -22.335 0.000 (0) - Fe(SO4)2- 1.396e-23 1.297e-23 -22.855 -22.887 -0.032 (0) - FeHSO4+2 2.203e-29 1.638e-29 -28.657 -28.786 -0.129 (0) - Fe(HSO4)+ 2.596e-30 2.411e-30 -29.586 -29.618 -0.032 (0) - HSO5- 4.731e-31 4.393e-31 -30.325 -30.357 -0.032 (0) - S2O8-2 0.000e+00 0.000e+00 -46.736 -46.864 -0.129 (0) -Sb(3) 2.464e-33 - Sb(OH)3 2.463e-33 2.463e-33 -32.609 -32.609 0.000 (0) - Sb(OH)4- 5.707e-37 5.300e-37 -36.244 -36.276 -0.032 (0) - Sb(OH)2+ 3.989e-40 3.704e-40 -39.399 -39.431 -0.032 (0) - Sb(OH)+2 0.000e+00 0.000e+00 -48.045 -48.174 -0.129 (0) - Sb+3 0.000e+00 0.000e+00 -57.507 -57.797 -0.289 (0) - Sb2HS4- 0.000e+00 0.000e+00 -606.373 -606.405 -0.032 (0) - Sb2S4-2 0.000e+00 0.000e+00 -607.643 -607.772 -0.129 (0) - Sb2H2S4 0.000e+00 0.000e+00 -609.648 -609.648 0.000 (0) + Fe(SO4)+ 3.626e-20 3.367e-20 -19.441 -19.473 -0.032 (0) + Fe(SO4)2- 2.213e-21 2.055e-21 -20.655 -20.687 -0.032 (0) + Fe(SO4) 2.101e-21 2.101e-21 -20.677 -20.677 0.000 (0) + HSO5- 4.785e-31 4.444e-31 -30.320 -30.352 -0.032 (0) + S2O8-2 0.000e+00 0.000e+00 -46.731 -46.859 -0.129 (0) +Sb(3) 2.435e-33 + Sb(OH)3 2.435e-33 2.435e-33 -32.614 -32.614 0.000 (0) + Sb(OH)4- 5.642e-37 5.239e-37 -36.249 -36.281 -0.032 (0) + Sb(OH)2+ 3.943e-40 3.662e-40 -39.404 -39.436 -0.032 (0) + Sb(OH)+2 0.000e+00 0.000e+00 -48.050 -48.179 -0.129 (0) + Sb+3 0.000e+00 0.000e+00 -57.512 -57.802 -0.289 (0) + Sb2HS4- 0.000e+00 0.000e+00 -606.462 -606.494 -0.032 (0) + Sb2S4-2 0.000e+00 0.000e+00 -607.733 -607.862 -0.129 (0) + Sb2H2S4 0.000e+00 0.000e+00 -609.737 -609.737 0.000 (0) Sb(5) 2.025e-08 Sb(OH)6- 2.025e-08 1.880e-08 -7.694 -7.726 -0.032 (0) Sb(OH)5 6.941e-14 6.941e-14 -13.159 -13.159 0.000 (0) - Sb(OH)4+ 2.889e-25 2.683e-25 -24.539 -24.571 -0.032 (0) - Sb12(OH)67-7 0.000e+00 0.000e+00 -93.188 -94.763 -1.576 (0) + Sb(OH)4+ 2.890e-25 2.683e-25 -24.539 -24.571 -0.032 (0) + Sb12(OH)67-7 0.000e+00 0.000e+00 -93.187 -94.763 -1.576 (0) Sb12(OH)66-6 0.000e+00 0.000e+00 -95.938 -97.096 -1.158 (0) Sb12(OH)65-5 0.000e+00 0.000e+00 -99.615 -100.419 -0.804 (0) Sb12(OH)64-4 0.000e+00 0.000e+00 -104.437 -104.952 -0.515 (0) Se(-2) 0.000e+00 - HSe- 0.000e+00 0.000e+00 -97.354 -97.387 -0.032 (0) - H2Se 0.000e+00 0.000e+00 -101.689 -101.689 0.000 (0) - Se-2 0.000e+00 0.000e+00 -104.015 -104.144 -0.129 (0) - Se2-2 0.000e+00 0.000e+00 -157.955 -158.083 -0.129 (0) - Se3-2 0.000e+00 0.000e+00 -212.564 -212.693 -0.129 (0) - Se4-2 0.000e+00 0.000e+00 -268.773 -268.902 -0.129 (0) -Se(4) 1.971e-19 - H(SeO3)- 1.111e-19 1.031e-19 -18.954 -18.987 -0.032 (0) - SeO3-2 8.608e-20 6.401e-20 -19.065 -19.194 -0.129 (0) - H2(SeO3) 3.167e-25 3.167e-25 -24.499 -24.499 0.000 (0) - Fe(SeO3)+ 1.175e-30 1.091e-30 -29.930 -29.962 -0.032 (0) - Fe(HSeO3)+2 1.636e-37 1.216e-37 -36.786 -36.915 -0.129 (0) + HSe- 0.000e+00 0.000e+00 -97.374 -97.407 -0.032 (0) + H2Se 0.000e+00 0.000e+00 -101.709 -101.709 0.000 (0) + Se-2 0.000e+00 0.000e+00 -104.035 -104.164 -0.129 (0) + Se2-2 0.000e+00 0.000e+00 -157.989 -158.118 -0.129 (0) + Se3-2 0.000e+00 0.000e+00 -212.614 -212.742 -0.129 (0) + Se4-2 0.000e+00 0.000e+00 -268.838 -268.967 -0.129 (0) +Se(4) 1.949e-19 + H(SeO3)- 1.098e-19 1.020e-19 -18.959 -18.992 -0.032 (0) + SeO3-2 8.509e-20 6.328e-20 -19.070 -19.199 -0.129 (0) + H2(SeO3) 3.131e-25 3.131e-25 -24.504 -24.504 0.000 (0) + Fe(SeO3)+ 2.787e-29 2.588e-29 -28.555 -28.587 -0.032 (0) + Fe(HSeO3)+2 3.879e-36 2.885e-36 -35.411 -35.540 -0.129 (0) Se(6) 1.301e-06 SeO4-2 1.216e-06 9.041e-07 -5.915 -6.044 -0.129 (0) Ca(SeO4) 7.774e-08 7.774e-08 -7.109 -7.109 0.000 (0) - Mg(SeO4) 7.110e-09 7.110e-09 -8.148 -8.148 0.000 (0) + Mg(SeO4) 7.109e-09 7.109e-09 -8.148 -8.148 0.000 (0) H(SeO4)- 3.851e-13 3.576e-13 -12.414 -12.447 -0.032 (0) - Fe(SeO4) 2.069e-25 2.069e-25 -24.684 -24.684 0.000 (0) + Fe(SeO4) 5.410e-24 5.410e-24 -23.267 -23.267 0.000 (0) Si 4.000e-04 H4(SiO4) 3.911e-04 3.911e-04 -3.408 -3.408 0.000 (0) H3(SiO4)- 8.655e-06 8.037e-06 -5.063 -5.095 -0.032 (0) Ca(H3SiO4)+ 7.615e-08 7.072e-08 -7.118 -7.150 -0.032 (0) Si2O2(OH)5- 7.406e-08 6.877e-08 -7.130 -7.163 -0.032 (0) - Mg(H3SiO4)+ 7.815e-09 7.257e-09 -8.107 -8.139 -0.032 (0) + Mg(H3SiO4)+ 7.813e-09 7.256e-09 -8.107 -8.139 -0.032 (0) Si2O3(OH)4-2 1.655e-10 1.231e-10 -9.781 -9.910 -0.129 (0) H2(SiO4)-2 7.701e-11 5.727e-11 -10.113 -10.242 -0.129 (0) Si4O6(OH)6-2 1.598e-13 1.188e-13 -12.796 -12.925 -0.129 (0) AlH3SiO4+2 5.962e-15 4.434e-15 -14.225 -14.353 -0.129 (0) Si3O6(OH)3-3 1.678e-15 8.618e-16 -14.775 -15.065 -0.289 (0) Si3O5(OH)5-3 1.333e-15 6.845e-16 -14.875 -15.165 -0.289 (0) - Fe(H3SiO4)+2 2.067e-17 1.537e-17 -16.685 -16.813 -0.129 (0) - Si4O7(OH)6-4 2.483e-20 7.595e-21 -19.605 -20.119 -0.515 (0) + Fe(H3SiO4)+2 4.959e-16 3.688e-16 -15.305 -15.433 -0.129 (0) + Si4O7(OH)6-4 2.483e-20 7.594e-21 -19.605 -20.120 -0.515 (0) Si4O8(OH)4-4 1.973e-20 6.033e-21 -19.705 -20.219 -0.515 (0) - Si6O15-6 6.739e-33 4.687e-34 -32.171 -33.329 -1.158 (0) + Si6O15-6 6.738e-33 4.687e-34 -32.171 -33.329 -1.158 (0) Sr 2.259e-06 - Sr+2 2.035e-06 1.513e-06 -5.691 -5.820 -0.129 (0) + Sr+2 2.034e-06 1.513e-06 -5.692 -5.820 -0.129 (0) Sr(SO4) 1.974e-07 1.974e-07 -6.705 -6.705 0.000 (0) - Sr(HCO3)+ 2.112e-08 1.962e-08 -7.675 -7.707 -0.032 (0) + Sr(HCO3)+ 2.112e-08 1.961e-08 -7.675 -7.707 -0.032 (0) Sr(CO3) 5.564e-09 5.564e-09 -8.255 -8.255 0.000 (0) - Sr(NO3)+ 6.024e-11 5.594e-11 -10.220 -10.252 -0.032 (0) + Sr(NO3)+ 6.023e-11 5.593e-11 -10.220 -10.252 -0.032 (0) Sr(OH)+ 1.188e-11 1.103e-11 -10.925 -10.957 -0.032 (0) - Sr(NO3)2 2.664e-16 2.664e-16 -15.574 -15.574 0.000 (0) - Sr(NH3)+2 0.000e+00 0.000e+00 -74.186 -74.315 -0.129 (0) - Sr(S2O3) 0.000e+00 0.000e+00 -152.655 -152.655 0.000 (0) + Sr(NO3)2 2.664e-16 2.664e-16 -15.575 -15.575 0.000 (0) + Sr(NH3)+2 0.000e+00 0.000e+00 -74.307 -74.435 -0.129 (0) + Sr(S2O3) 0.000e+00 0.000e+00 -152.665 -152.665 0.000 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - Acmite -0.84 0.08 0.92 NaFeSi2O6 + Acmite 0.57 1.46 0.89 NaFeSi2O6 Afwillite -16.52 32.90 49.42 Ca3Si2O4(OH)6 - Al(s) -139.48 10.44 149.92 Al + Al(cr) -139.48 -54.05 85.43 Al Albite-high -2.27 1.87 4.14 NaAlSi3O8 Albite-low -0.87 1.87 2.74 NaAlSi3O8 - Amesite 2.73 72.15 69.42 Mg4Al4Si2O10(OH)8 - Amesite-Fe -53.08 3.96 57.04 Fe4Al4Si2O10(OH)8 - Analcime -1.53 5.12 6.65 Na0.99Al0.99Si2.01O6:H2O + Amesite 2.76 72.15 69.39 Mg4Al4Si2O10(OH)8 + Amesite-Fe -47.47 9.63 57.10 Fe4Al4Si2O10(OH)8 + Analcime -1.52 5.12 6.64 Na0.99Al0.99Si2.01O6:H2O Anhydrite -1.81 -6.25 -4.44 Ca(SO4) - Annite -46.27 -13.50 32.77 KFe3Si3AlO10(OH)2 + Annite -42.06 -9.24 32.82 KFe3Si3AlO10(OH)2 Anorthite -3.41 21.90 25.31 CaAl2Si2O8 - Antigorite -39.96 460.20 500.16 Mg48Si34O85(OH)62 + Antigorite -39.69 460.19 499.89 Mg48Si34O85(OH)62 Aragonite 0.00 -8.31 -8.31 CaCO3 Arcanite -9.40 -11.25 -1.85 K2SO4 Artinite -7.36 2.45 9.81 Mg2(CO3)(OH)2:3H2O @@ -731,168 +709,176 @@ Sr 2.259e-06 Beidellite-K 2.44 7.04 4.60 K0.34Al2.34Si3.66O10(OH)2 Beidellite-Mg 2.45 7.68 5.23 Mg0.17Al2.34Si3.66O10(OH)2 Beidellite-Na 2.02 7.12 5.10 Na0.34Al2.34Si3.66O10(OH)2 - Beidellite_SBld-1 1.80 9.39 7.59 Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2 - Beidellite_SBld-1(4.576H2O) 5.10 9.39 4.29 Ca0.185K0.104Si3.574Al2.238Mg0.090Fe0.112O10(OH)2:4.576H2O - Berthierine(FeII) -32.58 1.98 34.56 (Fe2Al)(SiAl)O5(OH)4 - Berthierine(FeIII) -36.67 -7.87 28.80 (Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4 - Berthierine_ISGS -24.66 3.27 27.93 (Si1.332Al0.668)(Al0.976Fe0.182Fe1.44Mg0.157)O5(OH)4 - Berthierine_Lorraine 5.68 6.71 1.03 Fe0.608Fe0.936Mg0.37Al1.052Si1.52O5(OH)4 + Beidellite_SBld-1 1.96 9.54 7.58 Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2 + Beidellite_SBld-1(4.576H2O) 5.28 9.54 4.26 Ca0.185K0.104Si3.574Al2.238Mg0.090Fe0.112O10(OH)2:4.576H2O + Berthierine(FeII) -29.79 4.82 34.61 (Fe2Al)(SiAl)O5(OH)4 + Berthierine(FeIII) -32.95 -4.10 28.85 (Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4 + Berthierine_ISGS -22.38 5.56 27.94 (Si1.332Al0.668)(Al0.976Fe0.182Fe1.44Mg0.157)O5(OH)4 + Berthierine_Lorraine 7.86 8.87 1.01 Fe0.608Fe0.936Mg0.37Al1.052Si1.52O5(OH)4 Bloedite -15.93 -18.28 -2.35 Na2Mg(SO4)2:4H2O Boehmite 0.12 7.74 7.62 AlO(OH) Brucite -5.10 12.00 17.10 Mg(OH)2 Burkeite -33.66 -34.43 -0.77 Na6(CO3)(SO4)2 - C(cr) -71.78 -17.95 53.83 C + C(cr) -71.79 -103.94 -32.15 C C2SH(alpha) -12.47 23.07 35.54 Ca2(HSiO4)(OH) C3AH6 -25.12 55.20 80.32 Ca3Al2(OH)12 - C3FH6 -27.59 44.80 72.39 Ca3Fe2(OH)12 + C3FH6 -24.77 47.56 72.33 Ca3Fe2(OH)12 C4AH13 -35.21 68.44 103.65 Ca4Al2(OH)14:6H2O - C4FH13 -37.12 58.04 95.16 Ca4Fe2(OH)14:6H2O + C4FH13 -34.28 60.80 95.08 Ca4Fe2(OH)14:6H2O + Ca(cr) -124.81 -27.95 96.85 Ca Ca(NO3)2(s) -19.02 -13.13 5.89 Ca(NO3)2 - Ca(s) -124.80 15.04 139.84 Ca Ca(SeO3):H2O(s) -15.86 -22.26 -6.40 Ca(SeO3):H2O Ca(SeO4):2H2O(s) -6.43 -9.11 -2.68 Ca(SeO4):2H2O - Ca(SO3)(s) -44.56 -51.06 -6.50 Ca(SO3) - Ca2Fe2O5(s) -25.20 31.56 56.76 Ca2Fe2O5 + Ca(SO3)(s) -44.57 -51.07 -6.50 Ca(SO3) + Ca2Fe2O5(s) -22.42 34.32 56.74 Ca2Fe2O5 CaCO3:H2O(s) -0.71 -8.31 -7.60 CaCO3:H2O - CaFe2O4(s) -2.92 18.32 21.24 CaFe2O4 + CaFe2O4(s) -0.16 21.08 21.24 CaFe2O4 Calcite 0.17 -8.31 -8.48 CaCO3 CaMg3(CO3)4(s) -6.15 -36.96 -30.81 CaMg3(CO3)4 CaMgSr(CO3)2 0.00 2.75 2.75 CaMg0.97Sr0.03(MoO4)0.00011(Sb(OH)6)0.0000033(SeO3)0.00001(CO3)1.9998767 CaMoO4(s) -0.55 -8.45 -7.90 CaMoO4 CaO(cr) -19.46 13.24 32.70 CaO - Celadonite-Fe -17.03 -6.81 10.22 KFeAlSi4O10(OH)2 - Celadonite-Mg 0.01 10.23 10.22 KMgAlSi4O10(OH)2 + Celadonite-Fe -11.85 -5.40 6.45 KFeAlSi4O10(OH)2 + Celadonite-Mg 0.03 10.23 10.20 KMgAlSi4O10(OH)2 Celestite -2.38 -9.00 -6.62 Sr(SO4) - CH4(g) -145.26 -14.35 130.91 CH4 - Chabazite 3.55 15.09 11.54 CaAl2Si4O12:6H2O - Chamosite -67.57 -19.97 47.60 Fe5Al2Si3O10(OH)8 - Clinochlore 3.54 65.26 61.72 Mg5Al2Si3O10(OH)8 + CH4(g) -145.28 -186.33 -41.05 CH4 + Chabazite 3.57 15.09 11.52 CaAl2Si4O12:6H2O + Chamosite -60.56 -12.88 47.68 Fe5Al2Si3O10(OH)8 + Chukanovite -31.77 -28.80 2.97 Fe2(OH)2CO3 + Clinochlore 3.58 65.26 61.68 Mg5Al2Si3O10(OH)8 Clinoptilolite_Ca 1.45 -0.90 -2.35 Ca0.55(Si4.9Al1.1)O12:3.9H2O Clinoptilolite_K -2.42 -3.65 -1.23 K1.1(Si4.9Al1.1)O12:2.7H2O Clinoptilolite_Na -3.31 -3.40 -0.09 Na1.1(Si4.9Al1.1)O12:3.5H2O - CO(g) -48.10 -19.75 28.35 CO + CO(g) -48.11 -62.75 -14.64 CO CO2(g) -3.40 -21.55 -18.15 CO2 Corundum -2.82 15.48 18.30 Al2O3 Cristobalite -0.25 -3.41 -3.16 SiO2 - Cronstedtite-Th -24.53 -8.42 16.11 Fe4SiO5(OH)4 + Cronstedtite-Th -18.93 -2.82 16.11 Fe4SiO5(OH)4 CSH0.8 -3.87 7.18 11.05 Ca0.8SiO2.8:1.54H2O CSH1.2 -6.82 12.48 19.30 Ca1.2SiO3.2:2.06H2O CSH1.6 -10.22 17.78 28.00 Ca1.6SiO3.6:2.58H2O Dawsonite -3.46 -9.46 -6.00 NaAl(CO3)(OH)2 - Diaspore 0.88 7.74 6.86 AlO(OH) + Diaspore 0.87 7.74 6.87 AlO(OH) Dickite -0.73 8.66 9.39 Al2Si2O5(OH)4 - Dolomite -0.74 -17.86 -17.12 CaMg(CO3)2 + Dolomite -0.73 -17.86 -17.13 CaMg(CO3)2 Downeyite -27.35 -35.50 -8.15 SeO2 - Eastonite -1.79 44.53 46.32 KMg2Al3Si2O10(OH)2 + Eastonite -1.77 44.53 46.30 KMg2Al3Si2O10(OH)2 Epsonite -5.61 -7.49 -1.88 Mg(SO4):7H2O Ettringite -20.52 36.45 56.97 Ca6Al2(SO4)3(OH)12:26H2O - Ettringite-Fe -28.50 26.05 54.55 Ca6Fe2(SO4)3(OH)12:26H2O - Fayalite -33.01 -13.50 19.51 Fe2(SiO4) - Fe(OH)2(cr) -17.80 -5.04 12.76 Fe(OH)2 - Fe(s) -62.09 -3.24 58.85 Fe - Fe1.04Se(beta) -109.03 -110.71 -1.68 Fe1.04Se - Fe2(SeO3)3:6H2O(s) -59.84 -101.42 -41.58 Fe2(SeO3)3:6H2O - Fe3Se4(gamma) -370.50 -439.09 -68.59 Fe3Se4 - Fe7Se8(alfa) -802.84 -881.43 -78.59 Fe7Se8 - FeAl2O4(s) -16.76 10.44 27.20 FeAl2O4 - FeMoO4(s) -18.39 -26.74 -8.35 FeMoO4 - FeO(s) -18.41 -5.04 13.37 FeO - Ferrihydrite(am) -0.00 2.54 2.54 Fe(OH)3 - Ferroselite -157.80 -217.92 -60.12 FeSe2 - Ferrosilite -41.16 -8.45 32.71 FeSiO3 - Ferryhydrite 1.35 2.54 1.19 Fe(OH)3 - FeS(am) -152.66 -155.61 -2.95 FeS + Ettringite-Fe -25.74 28.81 54.55 Ca6Fe2(SO4)3(OH)12:26H2O + Fayalite -30.21 -10.66 19.55 Fe2(SiO4) + Fe(alpha,cr) -60.71 -44.82 15.89 Fe + Fe(OH)2(cr) -16.41 -3.63 12.78 Fe(OH)2 + Fe0.932O(s) -14.09 -0.58 13.51 Fe0.932O + Fe1.04Se(beta) -107.60 -110.98 -3.38 Fe1.04Se + Fe2(SeO3)3:6H2O(s) -57.09 -98.67 -41.58 Fe2(SeO3)3:6H2O + Fe3O4(s) -8.39 4.21 12.60 Fe3O4 + Fe3Se4(gamma) -366.39 -391.92 -25.53 Fe3Se4 + Fe7Se8(alfa) -793.23 -828.67 -35.44 Fe7Se8 + FeAl2O4(s) -15.35 11.85 27.20 FeAl2O4 + FeMoO4(s) -17.00 -25.32 -8.32 FeMoO4 + FeO(s) -17.02 -3.63 13.39 FeO + Ferrihydrite(am) -0.00 3.92 3.92 Fe(OH)3 + Ferrihydrite(cr) 2.70 3.92 1.22 Fe(OH)3 + Ferrihydrite(s) 1.14 3.92 2.78 Fe(OH)3 + Ferroselite -156.45 -173.55 -17.10 FeSe2 + Ferrosilite -39.75 -7.04 32.71 FeSiO3 + FeS(am) -151.26 -154.21 -2.95 FeS Foshagite -23.22 42.74 65.96 Ca4Si3O9(OH)2:0.5H2O Gaylussite -11.73 -21.16 -9.43 CaNa2(CO3)2:5H2O Gibbsite -0.00 7.74 7.74 Al(OH)3 - Gismondine 4.80 43.81 39.01 Ca2Al4Si4O16:9H2O + Gismondine 4.84 43.81 38.97 Ca2Al4Si4O16:9H2O Glaserite -36.92 -44.53 -7.61 Na2K6(SO4)4 Glauberite -19.01 -17.04 1.97 Na2Ca(SO4)2 - Glauconite -2.76 -0.90 1.86 (K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 - Goethite 2.15 2.54 0.39 FeOOH - Greenalite -43.72 -21.95 21.77 Fe3Si2O5(OH)4 + Glauconite -0.66 1.18 1.84 (K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 + Goethite 3.75 3.92 0.17 FeOOH + GR-CO3 -57.62 -2.12 55.50 Fe4Fe2(OH)12CO3:2H2O + GR-SO4 -58.36 -0.06 58.30 Fe4Fe2(OH)12SO4 + Greenalite -39.52 -17.70 21.82 Fe3Si2O5(OH)4 + Greigite -556.98 -572.01 -15.03 Fe3S4 Gypsum -1.64 -6.25 -4.61 CaSO4:2H2O Gyrolite -6.08 16.26 22.34 Ca2Si3O7.5(OH):2H2O - H2(g) -41.19 1.80 42.99 H2 + H2(g) -41.20 -41.20 0.00 H2 H2MoO4(s) -8.52 -21.69 -13.17 H2MoO4 - H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -142.56 -150.56 -8.00 H2S + H2O(g) -1.50 -43.00 -41.50 H2O + H2S(g) -142.58 -150.58 -8.00 H2S Halloysite -1.66 8.66 10.32 Al2Si2O5(OH)4 - HBeidellite-Ca 5.78 7.89 2.11 Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O - HBeidellite-K 4.80 7.04 2.24 K0.34Al2.34Si3.66O10(OH)2:1.96H2O - HBeidellite-Mg 5.44 7.68 2.24 Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O - HBeidellite-Na 5.26 7.12 1.86 Na0.34Al2.34Si3.66O10(OH)2:3.84H2O - Hematite 6.10 5.08 -1.02 Fe2O3 + HBeidellite-Ca 5.80 7.89 2.09 Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O + HBeidellite-K 4.82 7.04 2.22 K0.34Al2.34Si3.66O10(OH)2:1.96H2O + HBeidellite-Mg 5.47 7.68 2.21 Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O + HBeidellite-Na 5.29 7.12 1.83 Na0.34Al2.34Si3.66O10(OH)2:3.84H2O + Hematite(cr) 8.67 7.84 -0.83 Fe2O3 + Hematite(s) 7.94 7.84 -0.10 Fe2O3 Hemicarboaluminate -57.87 115.33 173.20 Ca6O6:Al4O6:CaCO3:Ca(OH)2:21H2O Heulandite_Ca 4.89 7.35 2.46 Ca1.07Al2.14Si6.86O18:6.17H2O Heulandite_Na -0.30 2.50 2.80 Na2.14Al2.14Si6.86O18:6.17H2O Hexahydrite -5.85 -7.49 -1.64 Mg(SO4):6H2O Hillebrandite -13.88 23.07 36.95 Ca2SiO3(OH)2:0.17H2O - HMontmorillonite-BCCa 3.35 5.55 2.20 Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O - HMontmorillonite-BCK 2.61 4.70 2.09 K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O - HMontmorillonite-BCMg 2.99 5.34 2.35 Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O - HMontmorillonite-BCNa 2.99 4.78 1.79 Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O - HMontmorillonite-HCCa 2.20 8.38 6.18 Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O - HMontmorillonite-HCK 2.62 6.88 4.26 K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O - HMontmorillonite-HCMg 1.51 8.01 6.50 Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O - HMontmorillonite-HCNa 2.46 7.02 4.56 Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O - HNontronite-Ca 2.04 -0.79 -2.83 Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O - HNontronite-K 1.06 -1.64 -2.70 K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O - HNontronite-Mg 1.53 -1.00 -2.53 Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O - HNontronite-Na 1.52 -1.57 -3.09 Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O - HSaponite-Ca 0.02 28.41 28.39 Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O - HSaponite-FeCa -16.61 11.37 27.98 Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O - HSaponite-FeK -17.59 10.52 28.11 K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O - HSaponite-FeMg -16.91 11.16 28.07 Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O - HSaponite-FeNa -17.12 10.60 27.72 Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O - HSaponite-K -0.96 27.56 28.52 K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O - HSaponite-Mg -0.31 28.20 28.51 Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O - HSaponite-Na -0.49 27.64 28.13 Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O - HVermiculite-Ca -60.20 37.65 97.85 Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:4.45H2O - HVermiculite-K -52.21 35.50 87.71 K0.86Mg3.00Si3.14Al0.86O10(OH)2:1.96H2O - HVermiculite-Mg -31.09 37.12 68.21 Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:4.61H2O - HVermiculite-Na -60.85 35.70 96.55 Na0.86Mg3.00Si3.14Al0.86O10(OH)2:3.84H2O + HMontmorillonite-BCCa 3.37 5.55 2.18 Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O + HMontmorillonite-BCK 2.63 4.70 2.07 K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O + HMontmorillonite-BCMg 3.01 5.34 2.33 Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O + HMontmorillonite-BCNa 3.01 4.78 1.77 Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O + HMontmorillonite-HCCa 2.23 8.38 6.15 Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O + HMontmorillonite-HCK 2.64 6.88 4.24 K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O + HMontmorillonite-HCMg 1.54 8.01 6.47 Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O + HMontmorillonite-HCNa 2.48 7.02 4.54 Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O + HNontronite-Ca 4.40 1.51 -2.89 Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O + HNontronite-K 0.28 0.66 0.38 K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O + HNontronite-Mg 3.89 1.30 -2.59 Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O + HNontronite-Na 3.88 0.74 -3.14 Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O + HSaponite-Ca 0.05 28.41 28.36 Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O + HSaponite-FeCa -15.18 12.79 27.97 Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O + HSaponite-FeK -16.17 11.94 28.11 K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O + HSaponite-FeMg -15.50 12.57 28.07 Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O + HSaponite-FeNa -15.71 12.01 27.72 Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O + HSaponite-K -0.93 27.56 28.49 K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O + HSaponite-Mg -0.28 28.20 28.48 Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O + HSaponite-Na -0.39 27.64 28.03 Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O + HVermiculite-Ca -60.17 37.65 97.82 Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:4.45H2O + HVermiculite-K -52.18 35.50 87.68 K0.86Mg3.00Si3.14Al0.86O10(OH)2:1.96H2O + HVermiculite-Mg -31.06 37.12 68.18 Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:4.61H2O + HVermiculite-Na -60.82 35.70 96.52 Na0.86Mg3.00Si3.14Al0.86O10(OH)2:3.84H2O Hydrotalcite -10.26 63.48 73.74 Mg4Al2(OH)14:3H2O Hydrotalcite-CO3 -8.93 41.93 50.86 Mg4Al2(OH)12CO3:2H2O Illite-Al 1.81 14.83 13.02 K0.85Al2.85Si3.15O10(OH)2 - Illite-FeII -0.61 8.84 9.45 K0.85Fe0.25Al2.35Si3.4O10(OH)2 - illite-FeIII 1.16 13.53 12.37 K0.85Fe0.25Al2.6Si3.15O10(OH)2 + Illite-FeII -0.26 9.20 9.46 K0.85Fe0.25Al2.35Si3.4O10(OH)2 + Illite-FeIII 1.51 13.87 12.36 K0.85Fe0.25Al2.6Si3.15O10(OH)2 Illite-Mg 2.10 13.11 11.01 K0.85Mg0.25Al2.35Si3.4O10(OH)2 - Illite-Smec_ISCz-1(2.996H2O) -3.72 9.93 13.65 (Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.996H2O - Illite/smectiteISCz-1 -0.12 10.78 10.90 (Ca0.092K0.439)(Si3.559Al0.441)(Al1.728Fe0.011Fe0.034Mg0.255)O10(OH)2 - Illite_Imt-2 -0.75 10.79 11.54 (Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2 + Illite-Smec_ISCz-1(2.996H2O) -3.58 10.03 13.61 (Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.996H2O + Illite/smectite -0.05 10.84 10.89 (Ca0.092K0.439)(Si3.559Al0.441)(Al1.728Fe0.011Fe0.034Mg0.255)O10(OH)2 + Illite_Imt-2 -0.21 11.31 11.52 (Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2 Jaffeite -41.44 72.62 114.06 Ca6(Si2O7)(OH)6 - Jennite -48.62 98.71 147.33 Ca9Si6O16(OH)10:6(H2O) - K(cr) -65.96 5.02 70.99 K + Jennite -48.62 98.71 147.33 Ca9Si6O16(OH)10:6H2O + K(cr) -65.97 -16.48 49.49 K K(NO3)(s) -8.96 -9.06 -0.10 K(NO3) K(OH)(s) -20.48 4.12 24.60 K(OH) K-carbonate -16.34 -13.31 3.03 K2CO3:1.5H2O K-trona -21.41 -30.51 -9.10 K2NaH(CO3)2:2H2O K2CO3(cr) -18.72 -13.31 5.41 K2CO3 K2O(s) -75.87 8.24 84.11 K2O + KAl(OH)4 -12.36 11.86 24.22 KAl(OH)4 KAl(SO4)2(s) -30.86 -27.12 3.74 KAl(SO4)2 KAl(SO4)2:12H2O(s) -20.44 -27.12 -6.68 KAl(SO4)2:12H2O Kalicinite -7.37 -17.43 -10.06 KHCO3 - Kaolinite 2.15 8.66 6.51 Al2(Si2O5)(OH)4 + Kaolinite 2.16 8.66 6.50 Al2(Si2O5)(OH)4 Katoite -19.37 51.79 71.16 Ca3Al2(SiO4)(OH)8 Lansfordite -4.51 -9.55 -5.04 Mg(CO3):5H2O - Laumontite 3.39 15.09 11.70 CaAl2Si4O12:4H2O + Laumontite 3.42 15.09 11.67 CaAl2Si4O12:4H2O Leonhardtite -6.60 -7.49 -0.89 MgSO4:4H2O Leonite -14.76 -18.74 -3.98 K2Mg(SO4)2:4H2O - Lepidocrocite 1.79 2.54 0.75 FeOOH - Lizardite -3.91 29.19 33.10 Mg3Si2O5(OH)4 - Mackinawite -152.01 -155.61 -3.60 FeS - Maghemite(disord) 1.77 5.08 3.31 Fe2O3 - Maghemite(ord) 1.56 5.08 3.52 Fe2O3 + Lepidocrocite 2.06 3.92 1.86 FeOOH + Lizardite -3.89 29.19 33.08 Mg3Si2O5(OH)4 + Mackinawite -151.02 -154.21 -3.19 FeS + Maghemite 5.05 7.84 2.79 Fe2O3 Magnesite(nat) -0.64 -9.55 -8.91 MgCO3 Magnesite(syn) -1.45 -9.55 -8.10 Mg(CO3) - Magnetite -10.37 0.04 10.41 Fe3O4 - Margarite 0.38 37.38 37.00 CaAl4Si2O10(OH)2 - Melanterite -22.33 -24.54 -2.21 FeSO4:7H2O + Magnetite -6.13 4.21 10.34 Fe3O4 + Margarite 0.39 37.38 36.99 CaAl4Si2O10(OH)2 + Melanterite -20.84 -23.12 -2.28 FeSO4:7H2O Mercallite -13.97 -15.37 -1.40 KHSO4 - Merlinoite_K -3.83 5.66 9.49 K1.04Al1.04Si1.96O6:1.69H2O - Merlinoite_Na -4.40 5.90 10.30 Na1.04Al1.04Si1.96O6:2.27H2O - Mg(cr) -108.97 13.80 122.77 Mg + Merlinoite_K -3.81 5.66 9.47 K1.04Al1.04Si1.96O6:1.69H2O + Merlinoite_Na -4.39 5.90 10.29 Na1.04Al1.04Si1.96O6:2.27H2O + Mg(cr) -108.97 -29.19 79.78 Mg Mg(NO3)2(s) -29.87 -14.37 15.50 Mg(NO3)2 Mg(NO3)2:6H2O(s) -16.95 -14.37 2.58 Mg(NO3)2:6H2O Mg(SeO3):6H2O(s) -17.68 -23.50 -5.82 Mg(SeO3):6H2O @@ -902,12 +888,12 @@ Sr 2.259e-06 Mg5(CO3)4(OH)2:4H2O(s) -15.88 -26.19 -10.31 Mg5(CO3)4(OH)2:4H2O MgMoO4(s) -9.05 -9.69 -0.64 MgMoO4 Microcline 1.59 1.64 0.05 KAlSi3O8 - Minnesotaite -43.70 -28.77 14.93 Fe3Si4O10(OH)2 + Minnesotaite -39.50 -24.51 14.99 Fe3Si4O10(OH)2 Mirabilite -9.56 -10.79 -1.23 Na2SO4:10H2O - Mo(s) -125.68 -16.29 109.39 Mo - Mo3O8(s) -42.71 -63.28 -20.57 Mo3O8 + Mo(cr) -125.70 -145.28 -19.58 Mo + Mo3O8(s) -42.71 -106.27 -63.56 Mo3O8 Monocarboaluminate -23.41 46.89 70.30 (CaO)3Al2O3:CaCO3:10.68H2O - Monosulfate-Fe -27.50 38.55 66.05 Ca4Fe2(SO4)(OH)12:6H2O + Monosulfate-Fe -24.74 41.31 66.05 Ca4Fe2(SO4)(OH)12:6H2O Monosulfoaluminate -24.12 48.95 73.07 Ca4Al2(SO4)(OH)12:6H2O Montmorillonite-BCCa 1.35 5.55 4.20 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite-BCK 1.89 4.70 2.81 K0.34Mg0.34Al1.66Si4O10(OH)2 @@ -917,107 +903,109 @@ Sr 2.259e-06 Montmorillonite-HCK 2.45 6.88 4.43 K0.6Mg0.6Al1.4Si4O10(OH)2 Montmorillonite-HCMg 2.03 8.01 5.98 Mg0.3Mg0.6Al1.4Si4O10(OH)2 Montmorillonite-HCNa 1.57 7.02 5.45 Na0.6Mg0.6Al1.4Si4O10(OH)2 - MoO2(s) -33.00 -19.89 13.11 MoO2 + MoO2(s) -33.01 -62.89 -29.88 MoO2 MoO3(s) -9.71 -21.69 -11.98 MoO3 Mordenite_Ca 0.77 -2.15 -2.92 Ca0.515Al1.03Si4.97O12:3.1H2O - Mordenite_Oregon -0.41 -4.57 -4.16 Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O - MoS2(s) -294.09 -321.01 -26.92 MoS2 - MoS3(s) -405.30 -473.37 -68.07 MoS3 - Muscovite 4.08 17.12 13.04 KAl3Si3O10(OH)2 - Na(cr) -62.13 5.25 67.38 Na + Mordenite_Oregon -0.39 -4.57 -4.18 Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O + MoS2(s) -294.14 -364.05 -69.91 MoS2 + MoS3(s) -405.36 -473.43 -68.07 MoS3 + Muscovite 4.10 17.12 13.02 KAl3Si3O10(OH)2 + N2(g) -21.89 -232.34 -210.45 N2 + Na(cr) -62.14 -16.25 45.89 Na Na(NO3)(s) -9.92 -8.83 1.09 Na(NO3) Na2(CO3)(cr) -13.97 -12.85 1.12 Na2(CO3) Na2CO3:7H2O(s) -12.39 -12.85 -0.46 Na2CO3:7H2O Na2O(cr) -58.76 8.70 67.46 Na2O Nahcolite -6.46 -17.20 -10.74 Na(HCO3) - Natrolite -5.37 13.96 19.33 Na2(Al2Si3)O10:2H2O + Natrolite -5.35 13.96 19.31 Na2(Al2Si3)O10:2H2O Natron -12.02 -12.85 -0.83 Na2(CO3):10H2O Nesquehonite -4.45 -9.55 -5.10 Mg(CO3):3H2O - Nontronite-Ca 2.04 -0.79 -2.83 Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 - Nontronite-K 2.36 -1.64 -4.00 K0.34Fe1.67Al0.67Si3.66O10(OH)2 - Nontronite-Mg 2.37 -1.00 -3.37 Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 - Nontronite-Na 1.93 -1.57 -3.50 Na0.34Fe1.67Al0.67Si3.66O10(OH)2 - Nontronite_Nau-2 1.65 3.00 1.35 Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 + Nontronite-Ca 4.37 1.51 -2.86 Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 + Nontronite-K 4.69 0.66 -4.03 K0.34Fe1.67Al0.67Si3.66O10(OH)2 + Nontronite-Mg 4.71 1.30 -3.41 Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 + Nontronite-Na 4.27 0.74 -3.53 Na0.34Fe1.67Al0.67Si3.66O10(OH)2 + Nontronite_Nau-2 4.03 5.33 1.30 Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 O2(g) -0.70 -3.60 -2.90 O2 Okenite -2.76 6.42 9.18 CaSi2O5:2H2O - Paragonite 0.55 17.35 16.80 NaAl3Si3O10(OH)2 + Paragonite 0.56 17.35 16.79 NaAl3Si3O10(OH)2 Pentahydrite -6.21 -7.49 -1.28 MgSO4:5H2O Periclase -9.58 12.00 21.58 MgO Phillipsite_Ca 1.82 4.14 2.32 Ca0.5AlSi3O8:3H2O Phillipsite_K 1.60 1.64 0.04 KAlSi3O8:3H2O Phillipsite_Na 0.42 1.87 1.45 NaAlSi3O8:3H2O - Phlogopite_K -3.46 37.64 41.10 KMg3Si3AlO10(OH)2 - Phlogopite_Na -6.33 37.87 44.20 NaMg3AlSi3O10(OH)2 + Phlogopite_K -3.44 37.64 41.08 KMg3Si3AlO10(OH)2 + Phlogopite_Na -6.31 37.87 44.18 NaMg3AlSi3O10(OH)2 Picromerite -14.41 -18.74 -4.33 K2Mg(SO4)2:6H2O Pirssonite -12.25 -21.16 -8.91 Na2Ca(CO3)2:2H2O Polyhalite -17.50 -31.24 -13.74 K2MgCa2(SO4)4:2H2O Portlandite -9.57 13.24 22.81 Ca(OH)2 - Pyrite -249.19 -307.97 -58.78 FeS2 - Pyrophyllite 2.27 1.85 -0.42 Al2Si4O10(OH)2 - Pyrrhotite -144.00 -155.18 -11.18 Fe0.87S + Pyrite -246.77 -263.59 -16.82 FeS2 + Pyrophyllite 2.29 1.85 -0.44 Al2Si4O10(OH)2 + Pyrrhotite -143.06 -148.38 -5.32 Fe0.87S Quartz 0.33 -3.41 -3.74 SiO2 - Ripidolite_Cca-2 -23.48 37.87 61.35 (Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 - S(cr) -107.23 -152.36 -45.13 S + Ripidolite_Cca-2 -20.75 40.60 61.35 (Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 + S(cr) -107.25 -109.39 -2.14 S Sanidine 1.06 1.64 0.58 KAlSi3O8 Saponite-Ca -0.93 28.41 29.34 Ca0.17Mg3Al0.34Si3.66O10(OH)2 - Saponite-FeCa -15.18 11.37 26.55 Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 - Saponite-FeK -14.86 10.52 25.38 K0.34Mg2FeAl0.34Si3.66O10(OH)2 - Saponite-FeMg -14.84 11.16 26.00 Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 - Saponite-FeNa -15.10 10.60 25.70 Na0.34Mg2FeAl0.34Si3.66O10(OH)2 + Saponite-FeCa -11.69 12.79 24.48 Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 + Saponite-FeK -13.46 11.94 25.40 K0.34Mg2FeAl0.34Si3.66O10(OH)2 + Saponite-FeMg -13.46 12.57 26.03 Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 + Saponite-FeNa -13.72 12.01 25.73 Na0.34Mg2FeAl0.34Si3.66O10(OH)2 Saponite-K -0.61 27.56 28.17 K0.34Mg3Al0.34Si3.66O10(OH)2 Saponite-Mg -0.59 28.20 28.79 Mg0.17Mg3Al0.34Si3.66O10(OH)2 Saponite-Na -1.03 27.64 28.67 Na0.34Mg3Al0.34Si3.66O10(OH)2 - Saponite_SapCa -2.88 28.59 31.47 (Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2 - Saponite_SapCa(4.151H2O) 0.29 28.59 28.30 (Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O - Sb(cr) -82.72 -29.91 52.81 Sb + Saponite_SapCa -2.79 28.66 31.45 (Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2 + Saponite_SapCa(4.151H2O) 0.39 28.66 28.27 (Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O + Sb(cr) -82.74 -94.41 -11.67 Sb Sb2O5(s) -18.92 -26.32 -7.40 Sb2O5 - Scolecite 1.85 18.50 16.65 CaAl2Si3O10:3H2O - Se(s) -56.73 -107.34 -50.61 Se + Schwertmannite(cr) 3.15 11.87 8.72 Fe8O8(OH)6SO4 + Scolecite 1.87 18.50 16.63 CaAl2Si3O10:3H2O + Se(s) -56.74 -64.36 -7.62 Se SeO3(cr) -42.71 -22.35 20.36 SeO3 - Si(cr) -148.98 0.19 149.17 Si - Siderite -15.79 -26.59 -10.80 Fe(CO3) - Siderophyllite -30.13 10.44 40.57 KFe2Al3Si2O10(OH)2 + Si(cr) -148.99 -85.80 63.19 Si + Siderite -14.50 -25.18 -10.68 Fe(CO3) + Siderophyllite -27.33 13.27 40.60 KFe2Al3Si2O10(OH)2 SiO2(am) -0.70 -3.41 -2.71 SiO2 - Smectite_MX80(3.989H2O) 4.71 6.49 1.78 (Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:3.989H2O - Smectite_MX80(5.189H2O) 5.05 6.49 1.44 (Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:5.189H2O - SmectiteMX80 1.22 6.49 5.27 Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.173Fe0.035)O10(OH)2 - SO2(g) -55.36 -64.30 -8.94 SO2 - Sr(cr) -129.49 12.29 141.78 Sr + Smectite 1.52 6.78 5.26 Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.173Fe0.035)O10(OH)2 + Smectite_MX80(3.989H2O) 5.03 6.78 1.75 (Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:3.989H2O + Smectite_MX80(5.189H2O) 5.37 6.78 1.41 (Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:5.189H2O + SO2(g) -55.37 -64.31 -8.94 SO2 + Sr(cr) -129.50 -30.71 98.79 Sr Sr(NO3)2(cr) -16.28 -15.88 0.40 Sr(NO3)2 Sr(NO3)2:2H2O(s) -15.93 -15.88 0.05 Sr(NO3)2:2H2O Sr(NO3)2:4H2O(s) -15.01 -15.88 -0.87 Sr(NO3)2:4H2O Sr(OH)2(s) -17.02 10.49 27.51 Sr(OH)2 Sr(OH)2:8H2O(s) -13.83 10.49 24.32 Sr(OH)2:8H2O - Sr(SeO3)(cr) -18.71 -25.01 -6.30 Sr(SeO3) + Sr(SeO3)(cr) -18.72 -25.02 -6.30 Sr(SeO3) Sr(SeO4)(s) -7.51 -11.86 -4.35 Sr(SeO4) Sr2SiO4(s) -25.69 17.56 43.25 Sr2SiO4 SrMoO4(s) -4.62 -11.21 -6.59 SrMoO4 SrO(cr) -31.49 10.49 41.98 SrO - SrS(s) -154.75 -140.07 14.68 SrS + SrS(s) -154.77 -140.09 14.68 SrS SrSiO3(s) -6.08 7.08 13.16 SrSiO3 - Stellerite 2.74 9.73 6.99 Ca2Al4Si14O36:14H2O - Stibnite -460.87 -516.90 -56.03 Sb2S3 - Stilbite 2.18 25.23 23.05 NaCa2(Al5Si13)O36:16H2O + Stellerite 2.81 9.73 6.92 Ca2Al4Si14O36:14H2O + Stibnite -460.94 -516.97 -56.03 Sb2S3 + Stilbite 2.26 25.23 22.97 NaCa2(Al5Si13)O36:16H2O Stratlingite -11.11 38.55 49.66 Ca2Al2SiO3(OH)8:4H2O Strontianite -1.79 -11.06 -9.27 Sr(CO3) - Sudoite 6.78 44.74 37.96 Mg2Al4Si3O10(OH)8 + Sudoite 6.81 44.74 37.93 Mg2Al4Si3O10(OH)8 Syngenite -10.05 -17.50 -7.45 K2Ca(SO4)2:6H2O - Talc -2.57 22.37 24.94 Mg3Si4O10(OH)2 + Talc -2.55 22.37 24.92 Mg3Si4O10(OH)2 + Thenardite -10.43 -10.79 -0.36 Na2SO4 Thermonatrite -13.33 -12.85 0.48 Na2(CO3):H2O - Thernardite -10.43 -10.79 -0.36 Na2SO4 Tobermorite-11A -19.83 45.75 65.58 Ca5Si6O16.5(OH):5H2O Tobermorite-14A -17.19 45.75 62.94 Ca5Si6O16.5(OH):10H2O - Troilite -150.30 -155.61 -5.31 FeS + Troilite -150.22 -154.21 -3.99 FeS Trona -18.67 -30.05 -11.38 Na3H(CO3)2:2H2O Truscottite -25.29 51.79 77.08 Ca7Si12O29(OH)4:H2O - Valentinite -56.74 -65.22 -8.48 Sb2O3 + Valentinite -56.75 -65.23 -8.48 Sb2O3 Vaterite -0.41 -8.31 -7.90 CaCO3 Vermiculite-Ca -1.90 37.65 39.55 Ca0.43Mg3Si3.14Al0.86O10(OH)2 Vermiculite-K -1.94 35.50 37.44 K0.86Mg3.00Si3.14Al0.86O10(OH)2 Vermiculite-Mg -0.92 37.12 38.04 Mg0.43Mg3Si3.14Al0.86O10(OH)2 Vermiculite-Na -2.69 35.70 38.39 Na0.86Mg3.00Si3.14Al0.86O10(OH)2 - Vermiculite_SO -8.22 37.69 45.91 (Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2 - Wairakite 0.65 15.09 14.44 CaAl2Si4O12:2H2O + Vermiculite_SO -7.84 38.04 45.88 (Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2 + Wairakite 0.67 15.09 14.42 CaAl2Si4O12:2H2O Xonotlite -32.35 58.99 91.34 Ca6Si6O17(OH)2 Zeolite_CaP -1.34 43.81 45.15 Ca2Al4Si4O16:9H2O @@ -1063,10 +1051,10 @@ WARNING: -diffuse_layer option not tested for SIT model Diffuse Double Layer Surface-Complexation Model Hfo - 1.795e-20 Surface + diffuse layer charge, eq - 7.411e-09 Surface charge, eq + -1.475e-19 Surface + diffuse layer charge, eq + 7.410e-09 Surface charge, eq 1.192e-03 sigma, C/m² - 7.470e-03 psi, V + 7.469e-03 psi, V -2.907e-01 -F*psi/RT 7.477e-01 exp(-F*psi/RT) 6.000e+02 specific area, m²/mol Goethite @@ -1075,26 +1063,26 @@ Hfo Water in diffuse layer: 6.000e-06 kg, 100.0% of total DDL-water. Total moles in diffuse layer (excluding water), Donnan calculation. - Donnan Layer potential, psi_DL = 3.283e-03 V. + Donnan Layer potential, psi_DL = 3.282e-03 V. Boltzmann factor, exp(-psi_DL * F / RT) = 8.801e-01 (= c_DL / c_free if z is +1). Element Moles - Al 7.8629e-13 - C 6.5352e-09 - Ca 6.1641e-09 - Fe 3.4434e-14 - H 1.5926e-08 - K 5.2802e-10 - Mg 3.4757e-10 - Mo 4.2671e-11 - N 6.8176e-11 - Na 8.9771e-10 - O 6.2741e-08 - S 7.5363e-09 - Sb 1.3805e-13 - Se 9.9285e-12 + Al 7.8631e-13 + C 6.5363e-09 + Ca 6.1645e-09 + Fe 7.2619e-13 + H 1.5928e-08 + K 5.2803e-10 + Mg 3.4752e-10 + Mo 4.2670e-11 + N 6.8175e-11 + Na 8.9773e-10 + O 6.2745e-08 + S 7.5361e-09 + Sb 1.3804e-13 + Se 9.9282e-12 Si 2.4071e-09 - Sr 1.0785e-11 + Sr 1.0784e-11 Hfo_s 5.000e-06 moles [0.005 mol/(mol kinetic reactant Goethite)] @@ -1103,16 +1091,16 @@ Hfo_s Hfo_sOHCa+2 4.845e-06 0.969 4.845e-06 -5.315 Hfo_sOH 1.080e-07 0.022 1.080e-07 -6.967 - Hfo_sO- 2.413e-08 0.005 2.413e-08 -7.617 - Hfo_sOH2+ 1.108e-08 0.002 1.107e-08 -7.956 - Hfo_sOHSr+2 9.349e-09 0.002 9.349e-09 -8.029 + Hfo_sO- 2.412e-08 0.005 2.412e-08 -7.618 + Hfo_sOH2+ 1.107e-08 0.002 1.107e-08 -7.956 + Hfo_sOHSr+2 9.347e-09 0.002 9.347e-09 -8.029 Hfo_sOHMoO4-2 1.092e-09 0.000 1.092e-09 -8.962 - Hfo_sOHSO4-2 7.790e-10 0.000 7.790e-10 -9.108 - Hfo_sOH2SeO4- 4.604e-10 0.000 4.604e-10 -9.337 - Hfo_sSO4- 4.004e-11 0.000 4.004e-11 -10.398 + Hfo_sOHSO4-2 7.789e-10 0.000 7.788e-10 -9.109 + Hfo_sOH2SeO4- 4.603e-10 0.000 4.603e-10 -9.337 + Hfo_sSO4- 4.003e-11 0.000 4.003e-11 -10.398 Hfo_sOMo(OH)5 1.381e-11 0.000 1.381e-11 -10.860 - Hfo_sOHSeO3-2 1.668e-21 0.000 1.668e-21 -20.778 - Hfo_sSeO3- 2.905e-22 0.000 2.905e-22 -21.537 + Hfo_sOHSeO3-2 1.649e-21 0.000 1.649e-21 -20.783 + Hfo_sSeO3- 2.871e-22 0.000 2.871e-22 -21.542 Hfo_w 2.000e-04 moles [0.2 mol/(mol kinetic reactant Goethite)] @@ -1122,19 +1110,19 @@ Hfo_w Hfo_wOH 1.041e-04 0.520 1.041e-04 -3.983 Hfo_wO- 2.325e-05 0.116 2.325e-05 -4.634 Hfo_wCO3- 2.025e-05 0.101 2.025e-05 -4.694 - Hfo_wOMg+ 1.379e-05 0.069 1.379e-05 -4.860 + Hfo_wOMg+ 1.379e-05 0.069 1.379e-05 -4.861 Hfo_wOCa+ 1.344e-05 0.067 1.344e-05 -4.872 Hfo_wHCO3 1.223e-05 0.061 1.223e-05 -4.913 Hfo_wOH2+ 1.067e-05 0.053 1.067e-05 -4.972 - Hfo_wOHMoO4-2 1.053e-06 0.005 1.052e-06 -5.978 - Hfo_wOHSO4-2 7.507e-07 0.004 7.506e-07 -6.125 + Hfo_wOHMoO4-2 1.052e-06 0.005 1.052e-06 -5.978 + Hfo_wOHSO4-2 7.506e-07 0.004 7.506e-07 -6.125 Hfo_wOH2SeO4- 4.436e-07 0.002 4.436e-07 -6.353 Hfo_wSO4- 3.858e-08 0.000 3.858e-08 -7.414 Hfo_wOMo(OH)5 1.331e-08 0.000 1.331e-08 -7.876 - Hfo_wOSr+ 4.403e-09 0.000 4.403e-09 -8.356 - Hfo_wOSrOH 7.995e-12 0.000 7.995e-12 -11.097 - Hfo_wOHSeO3-2 1.607e-18 0.000 1.607e-18 -17.794 - Hfo_wSeO3- 2.799e-19 0.000 2.799e-19 -18.553 + Hfo_wOSr+ 4.402e-09 0.000 4.402e-09 -8.356 + Hfo_wOSrOH 7.993e-12 0.000 7.993e-12 -11.097 + Hfo_wOHSeO3-2 1.589e-18 0.000 1.589e-18 -17.799 + Hfo_wSeO3- 2.767e-19 0.000 2.767e-19 -18.558 ------------------ End of simulation. @@ -1173,10 +1161,10 @@ Kinetics 1. Diffuse Double Layer Surface-Complexation Model Hfo - 1.172e-19 Surface + diffuse layer charge, eq - 7.411e-09 Surface charge, eq + -1.469e-19 Surface + diffuse layer charge, eq + 7.410e-09 Surface charge, eq 1.192e-03 sigma, C/m² - 7.470e-03 psi, V + 7.469e-03 psi, V -2.907e-01 -F*psi/RT 7.477e-01 exp(-F*psi/RT) 6.000e+02 specific area, m²/mol Goethite @@ -1185,26 +1173,26 @@ Hfo Water in diffuse layer: 6.000e-06 kg, 100.0% of total DDL-water. Total moles in diffuse layer (excluding water), Donnan calculation. - Donnan Layer potential, psi_DL = 3.283e-03 V. + Donnan Layer potential, psi_DL = 3.282e-03 V. Boltzmann factor, exp(-psi_DL * F / RT) = 8.801e-01 (= c_DL / c_free if z is +1). Element Moles - Al 7.8629e-13 - C 6.5352e-09 - Ca 6.1641e-09 - Fe 3.4434e-14 - H 1.5926e-08 - K 5.2802e-10 - Mg 3.4757e-10 - Mo 4.2671e-11 - N 6.8176e-11 - Na 8.9771e-10 - O 6.2741e-08 - S 7.5363e-09 - Sb 1.3805e-13 - Se 9.9285e-12 + Al 7.8631e-13 + C 6.5363e-09 + Ca 6.1645e-09 + Fe 7.2619e-13 + H 1.5928e-08 + K 5.2803e-10 + Mg 3.4752e-10 + Mo 4.2670e-11 + N 6.8175e-11 + Na 8.9773e-10 + O 6.2745e-08 + S 7.5361e-09 + Sb 1.3804e-13 + Se 9.9282e-12 Si 2.4071e-09 - Sr 1.0785e-11 + Sr 1.0784e-11 Hfo_s 5.000e-06 moles [0.005 mol/(mol kinetic reactant Goethite)] @@ -1213,16 +1201,16 @@ Hfo_s Hfo_sOHCa+2 4.845e-06 0.969 4.845e-06 -5.315 Hfo_sOH 1.080e-07 0.022 1.080e-07 -6.967 - Hfo_sO- 2.413e-08 0.005 2.413e-08 -7.617 - Hfo_sOH2+ 1.108e-08 0.002 1.107e-08 -7.956 - Hfo_sOHSr+2 9.349e-09 0.002 9.349e-09 -8.029 + Hfo_sO- 2.412e-08 0.005 2.412e-08 -7.618 + Hfo_sOH2+ 1.107e-08 0.002 1.107e-08 -7.956 + Hfo_sOHSr+2 9.347e-09 0.002 9.347e-09 -8.029 Hfo_sOHMoO4-2 1.092e-09 0.000 1.092e-09 -8.962 - Hfo_sOHSO4-2 7.790e-10 0.000 7.790e-10 -9.108 - Hfo_sOH2SeO4- 4.604e-10 0.000 4.604e-10 -9.337 - Hfo_sSO4- 4.004e-11 0.000 4.004e-11 -10.398 + Hfo_sOHSO4-2 7.789e-10 0.000 7.788e-10 -9.109 + Hfo_sOH2SeO4- 4.603e-10 0.000 4.603e-10 -9.337 + Hfo_sSO4- 4.003e-11 0.000 4.003e-11 -10.398 Hfo_sOMo(OH)5 1.381e-11 0.000 1.381e-11 -10.860 - Hfo_sOHSeO3-2 1.668e-21 0.000 1.668e-21 -20.778 - Hfo_sSeO3- 2.905e-22 0.000 2.905e-22 -21.537 + Hfo_sOHSeO3-2 1.649e-21 0.000 1.649e-21 -20.783 + Hfo_sSeO3- 2.871e-22 0.000 2.871e-22 -21.542 Hfo_w 2.000e-04 moles [0.2 mol/(mol kinetic reactant Goethite)] @@ -1232,30 +1220,30 @@ Hfo_w Hfo_wOH 1.041e-04 0.520 1.041e-04 -3.983 Hfo_wO- 2.325e-05 0.116 2.325e-05 -4.634 Hfo_wCO3- 2.025e-05 0.101 2.025e-05 -4.694 - Hfo_wOMg+ 1.379e-05 0.069 1.379e-05 -4.860 + Hfo_wOMg+ 1.379e-05 0.069 1.379e-05 -4.861 Hfo_wOCa+ 1.344e-05 0.067 1.344e-05 -4.872 Hfo_wHCO3 1.223e-05 0.061 1.223e-05 -4.913 Hfo_wOH2+ 1.067e-05 0.053 1.067e-05 -4.972 - Hfo_wOHMoO4-2 1.053e-06 0.005 1.052e-06 -5.978 - Hfo_wOHSO4-2 7.507e-07 0.004 7.506e-07 -6.125 + Hfo_wOHMoO4-2 1.052e-06 0.005 1.052e-06 -5.978 + Hfo_wOHSO4-2 7.506e-07 0.004 7.506e-07 -6.125 Hfo_wOH2SeO4- 4.436e-07 0.002 4.436e-07 -6.353 Hfo_wSO4- 3.858e-08 0.000 3.858e-08 -7.414 Hfo_wOMo(OH)5 1.331e-08 0.000 1.331e-08 -7.876 - Hfo_wOSr+ 4.403e-09 0.000 4.403e-09 -8.356 - Hfo_wOSrOH 7.995e-12 0.000 7.995e-12 -11.097 - Hfo_wOHSeO3-2 1.607e-18 0.000 1.607e-18 -17.794 - Hfo_wSeO3- 2.799e-19 0.000 2.799e-19 -18.553 + Hfo_wOSr+ 4.402e-09 0.000 4.402e-09 -8.356 + Hfo_wOSrOH 7.993e-12 0.000 7.993e-12 -11.097 + Hfo_wOHSeO3-2 1.589e-18 0.000 1.589e-18 -17.799 + Hfo_wSeO3- 2.767e-19 0.000 2.767e-19 -18.558 -----------------------------Solution composition------------------------------ Elements Molality Moles Al 1.156e-07 1.156e-07 - C 9.625e-04 9.625e-04 + C 9.627e-04 9.627e-04 Ca 1.289e-03 1.289e-03 - Fe 5.738e-09 5.738e-09 + Fe 1.211e-07 1.211e-07 K 1.000e-04 1.000e-04 - Mg 7.304e-05 7.304e-05 + Mg 7.303e-05 7.303e-05 Mo 5.508e-06 5.508e-06 N 1.000e-05 1.000e-05 Na 1.700e-04 1.700e-04 @@ -1268,20 +1256,20 @@ Hfo_w ----------------------------Description of solution---------------------------- pH = 8.153 Charge balance - pe = 12.442 Adjusted to redox equilibrium + pe = 12.445 Adjusted to redox equilibrium Activity of water = 1.000 Ionic strength (mol/kgw) = 4.849e-03 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = 9.760e-04 - Total CO2 (mol/kg) = 9.625e-04 + Total CO2 (mol/kg) = 9.627e-04 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.958e-13 + Electrical balance (eq) = -1.690e-15 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 Iterations = 5 (19 overall) Gamma iterations = 1 Osmotic coefficient = 0.94484 - Total H = 1.110250e+02 - Total O = 5.552028e+01 + Total H = 1.110225e+02 + Total O = 5.551905e+01 ----------------------------Distribution of species---------------------------- @@ -1296,279 +1284,258 @@ Al 1.156e-07 Al(OH)3 2.089e-09 2.089e-09 -8.680 -8.680 0.000 (0) Al(OH)2+ 1.095e-11 1.017e-11 -10.961 -10.993 -0.032 (0) NaAl(OH)4 2.889e-12 2.889e-12 -11.539 -11.539 0.000 (0) - KAl(OH)4 4.372e-13 4.372e-13 -12.359 -12.359 0.000 (0) - Al(OH)+2 4.102e-14 3.051e-14 -13.387 -13.516 -0.129 (0) + Al(OH)+2 4.103e-14 3.051e-14 -13.387 -13.516 -0.129 (0) AlH3SiO4+2 5.962e-15 4.434e-15 -14.225 -14.353 -0.129 (0) - Al+3 3.724e-17 1.913e-17 -16.429 -16.718 -0.289 (0) + Al+3 3.725e-17 1.913e-17 -16.429 -16.718 -0.289 (0) Al(SO4)+ 1.992e-17 1.850e-17 -16.701 -16.733 -0.032 (0) C(-4) 0.000e+00 - CH4 0.000e+00 0.000e+00 -148.120 -148.120 0.000 (0) -C(4) 9.625e-04 - HCO3- 9.223e-04 8.565e-04 -3.035 -3.067 -0.032 (0) + CH4 0.000e+00 0.000e+00 -148.400 -148.400 0.000 (0) + CH3- 0.000e+00 0.000e+00 -186.215 -186.247 -0.032 (0) +C(4) 9.627e-04 + HCO3- 9.224e-04 8.566e-04 -3.035 -3.067 -0.032 (0) CO2 1.349e-05 1.349e-05 -4.870 -4.870 0.000 (0) - Ca(HCO3)+ 9.984e-06 9.272e-06 -5.001 -5.033 -0.032 (0) + Ca(HCO3)+ 9.985e-06 9.272e-06 -5.001 -5.033 -0.032 (0) CaCO3 8.128e-06 8.128e-06 -5.090 -5.090 0.000 (0) CO3-2 7.660e-06 5.696e-06 -5.116 -5.244 -0.129 (0) Mg(HCO3)+ 5.018e-07 4.660e-07 -6.299 -6.332 -0.032 (0) Mg(CO3) 2.699e-07 2.699e-07 -6.569 -6.569 0.000 (0) + Fe(OH)CO3 1.175e-07 1.175e-07 -6.930 -6.930 0.000 (0) Na(HCO3) 7.598e-08 7.598e-08 -7.119 -7.119 0.000 (0) - Sr(HCO3)+ 2.112e-08 1.962e-08 -7.675 -7.707 -0.032 (0) + Sr(HCO3)+ 2.112e-08 1.961e-08 -7.675 -7.707 -0.032 (0) Na(CO3)- 1.802e-08 1.673e-08 -7.744 -7.776 -0.032 (0) - FeCO3OH 5.623e-09 5.623e-09 -8.250 -8.250 0.000 (0) Sr(CO3) 5.564e-09 5.564e-09 -8.255 -8.255 0.000 (0) - Fe(CO3)3-3 7.546e-14 3.875e-14 -13.122 -13.412 -0.289 (0) - Fe(CO3) 1.245e-21 1.245e-21 -20.905 -20.905 0.000 (0) - FeCO3OH- 3.630e-23 3.371e-23 -22.440 -22.472 -0.032 (0) - FeHCO3+ 1.133e-23 1.052e-23 -22.946 -22.978 -0.032 (0) - Fe(CO3)2-2 5.485e-25 4.079e-25 -24.261 -24.389 -0.129 (0) - CO 0.000e+00 0.000e+00 -51.140 -51.140 0.000 (0) + Fe(CO3)3-3 1.042e-12 5.351e-13 -11.982 -12.272 -0.289 (0) + FeCO3 1.237e-20 1.237e-20 -19.907 -19.907 0.000 (0) + Fe(CO3)2-2 5.582e-24 4.151e-24 -23.253 -23.382 -0.129 (0) + CO 0.000e+00 0.000e+00 -51.145 -51.145 0.000 (0) Ca 1.289e-03 Ca+2 1.156e-03 8.598e-04 -2.937 -3.066 -0.129 (0) Ca(SO4) 1.148e-04 1.148e-04 -3.940 -3.940 0.000 (0) - Ca(HCO3)+ 9.984e-06 9.272e-06 -5.001 -5.033 -0.032 (0) + Ca(HCO3)+ 9.985e-06 9.272e-06 -5.001 -5.033 -0.032 (0) CaCO3 8.128e-06 8.128e-06 -5.090 -5.090 0.000 (0) Ca(SeO4) 7.774e-08 7.774e-08 -7.109 -7.109 0.000 (0) Ca(H3SiO4)+ 7.615e-08 7.072e-08 -7.118 -7.150 -0.032 (0) Ca(OH)+ 2.185e-08 2.029e-08 -7.661 -7.693 -0.032 (0) - Ca(NH3)+2 0.000e+00 0.000e+00 -70.982 -71.111 -0.129 (0) - Ca(NH3)2+2 0.000e+00 0.000e+00 -139.527 -139.655 -0.129 (0) - Ca(S2O3) 0.000e+00 0.000e+00 -150.040 -150.040 0.000 (0) - Ca(NH3)3+2 0.000e+00 0.000e+00 -208.272 -208.400 -0.129 (0) - Ca(NH3)4+2 0.000e+00 0.000e+00 -277.317 -277.445 -0.129 (0) -Fe(2) 1.961e-21 - Fe(CO3) 1.245e-21 1.245e-21 -20.905 -20.905 0.000 (0) - Fe+2 5.999e-22 4.461e-22 -21.222 -21.351 -0.129 (0) - Fe(SO4) 4.624e-23 4.624e-23 -22.335 -22.335 0.000 (0) - FeCO3OH- 3.630e-23 3.371e-23 -22.440 -22.472 -0.032 (0) - Fe(OH)+ 2.160e-23 2.006e-23 -22.666 -22.698 -0.032 (0) - FeHCO3+ 1.133e-23 1.052e-23 -22.946 -22.978 -0.032 (0) - Fe(CO3)2-2 5.485e-25 4.079e-25 -24.261 -24.389 -0.129 (0) - Fe(SeO4) 2.069e-25 2.069e-25 -24.684 -24.684 0.000 (0) - Fe(OH)2 2.265e-26 2.265e-26 -25.645 -25.645 0.000 (0) - Fe(OH)3- 1.738e-29 1.614e-29 -28.760 -28.792 -0.032 (0) - Fe(HSO4)+ 2.596e-30 2.411e-30 -29.586 -29.618 -0.032 (0) - Fe(OH)4-2 2.450e-35 1.822e-35 -34.611 -34.739 -0.129 (0) - Fe(NH3)+2 0.000e+00 0.000e+00 -87.867 -87.995 -0.129 (0) - Fe(NH3)2+2 0.000e+00 0.000e+00 -155.012 -155.140 -0.129 (0) - Fe(HS)+ 0.000e+00 0.000e+00 -159.386 -159.418 -0.032 (0) - Fe(NH3)4+2 0.000e+00 0.000e+00 -289.402 -289.530 -0.129 (0) - Fe(HS)2 0.000e+00 0.000e+00 -299.715 -299.715 0.000 (0) -Fe(3) 5.738e-09 - FeCO3OH 5.623e-09 5.623e-09 -8.250 -8.250 0.000 (0) - Fe(OH)3 9.550e-11 9.550e-11 -10.020 -10.020 0.000 (0) - Fe(OH)4- 1.333e-11 1.238e-11 -10.875 -10.907 -0.032 (0) - Fe(OH)2+ 5.615e-12 5.215e-12 -11.251 -11.283 -0.032 (0) - Fe(CO3)3-3 7.546e-14 3.875e-14 -13.122 -13.412 -0.289 (0) - Fe(OH)+2 1.490e-16 1.108e-16 -15.827 -15.956 -0.129 (0) - Fe(H3SiO4)+2 2.067e-17 1.537e-17 -16.685 -16.813 -0.129 (0) - Fe(SO4)+ 1.070e-21 9.936e-22 -20.971 -21.003 -0.032 (0) - Fe+3 2.350e-22 1.207e-22 -21.629 -21.918 -0.289 (0) - Fe(SO4)2- 1.396e-23 1.297e-23 -22.855 -22.887 -0.032 (0) - Fe(NO3)+2 1.343e-26 9.988e-27 -25.872 -26.001 -0.129 (0) - FeHSO4+2 2.203e-29 1.638e-29 -28.657 -28.786 -0.129 (0) - Fe(SeO3)+ 1.175e-30 1.091e-30 -29.930 -29.962 -0.032 (0) - Fe2(OH)2+4 1.080e-30 3.303e-31 -29.967 -30.481 -0.515 (0) - Fe(HSeO3)+2 1.636e-37 1.216e-37 -36.786 -36.915 -0.129 (0) - Fe3(OH)4+5 2.291e-39 3.598e-40 -38.640 -39.444 -0.804 (0) - FeS2O3+ 0.000e+00 0.000e+00 -166.861 -166.893 -0.032 (0) + Ca(NH3)+2 0.000e+00 0.000e+00 -71.102 -71.231 -0.129 (0) + Ca(NH3)2+2 0.000e+00 0.000e+00 -139.767 -139.896 -0.129 (0) + Ca(S2O3) 0.000e+00 0.000e+00 -150.600 -150.600 0.000 (0) + Ca(NH3)3+2 0.000e+00 0.000e+00 -208.632 -208.761 -0.129 (0) + Ca(NH3)4+2 0.000e+00 0.000e+00 -277.797 -277.926 -0.129 (0) +Fe(2) 3.118e-20 + Fe+2 1.569e-20 1.167e-20 -19.804 -19.933 -0.129 (0) + FeCO3 1.237e-20 1.237e-20 -19.907 -19.907 0.000 (0) + Fe(SO4) 2.101e-21 2.101e-21 -20.677 -20.677 0.000 (0) + Fe(OH)+ 1.004e-21 9.327e-22 -20.998 -21.030 -0.032 (0) + Fe(CO3)2-2 5.582e-24 4.151e-24 -23.253 -23.382 -0.129 (0) + Fe(SeO4) 5.410e-24 5.410e-24 -23.267 -23.267 0.000 (0) + Fe(OH)2 3.408e-25 3.408e-25 -24.467 -24.467 0.000 (0) + Fe(OH)3- 5.217e-30 4.845e-30 -29.283 -29.315 -0.032 (0) + Fe(OH)4-2 3.067e-34 2.281e-34 -33.513 -33.642 -0.129 (0) + Fe(NH3)+2 0.000e+00 0.000e+00 -86.569 -86.698 -0.129 (0) + Fe(NH3)2+2 0.000e+00 0.000e+00 -153.834 -153.963 -0.129 (0) + Fe(HS)+ 0.000e+00 0.000e+00 -157.988 -158.020 -0.032 (0) + Fe(NH3)4+2 0.000e+00 0.000e+00 -288.464 -288.593 -0.129 (0) + Fe(HS)2 0.000e+00 0.000e+00 -298.338 -298.338 0.000 (0) +Fe(3) 1.211e-07 + Fe(OH)CO3 1.175e-07 1.175e-07 -6.930 -6.930 0.000 (0) + Fe(OH)3 2.291e-09 2.291e-09 -8.640 -8.640 0.000 (0) + Fe(OH)2+ 9.986e-10 9.273e-10 -9.001 -9.033 -0.032 (0) + Fe(OH)4- 3.198e-10 2.970e-10 -9.495 -9.527 -0.032 (0) + Fe(CO3)3-3 1.042e-12 5.351e-13 -11.982 -12.272 -0.289 (0) + Fe(OH)+2 3.918e-15 2.914e-15 -14.407 -14.536 -0.129 (0) + Fe(H3SiO4)+2 4.959e-16 3.688e-16 -15.305 -15.433 -0.129 (0) + Fe(SO4)+ 3.626e-20 3.367e-20 -19.441 -19.473 -0.032 (0) + Fe+3 5.637e-21 2.895e-21 -20.249 -20.538 -0.289 (0) + Fe(SO4)2- 2.213e-21 2.055e-21 -20.655 -20.687 -0.032 (0) + Fe(NO3)+2 3.222e-25 2.396e-25 -24.492 -24.620 -0.129 (0) + Fe2(OH)2+4 8.383e-28 2.564e-28 -27.077 -27.591 -0.515 (0) + Fe(SeO3)+ 2.787e-29 2.588e-29 -28.555 -28.587 -0.032 (0) + Fe3(OH)4+5 3.163e-35 4.967e-36 -34.500 -35.304 -0.804 (0) + Fe(HSeO3)+2 3.879e-36 2.885e-36 -35.411 -35.540 -0.129 (0) + FeS2O3+ 0.000e+00 0.000e+00 -165.491 -165.523 -0.032 (0) H(0) 0.000e+00 - H2 0.000e+00 0.000e+00 -44.270 -44.270 0.000 (0) + H2 0.000e+00 0.000e+00 -44.275 -44.275 0.000 (0) K 1.000e-04 K+ 1.000e-04 9.286e-05 -4.000 -4.032 -0.032 (0) - KAl(OH)4 4.372e-13 4.372e-13 -12.359 -12.359 0.000 (0) -Mg 7.304e-05 - Mg+2 6.672e-05 4.962e-05 -4.176 -4.304 -0.129 (0) - Mg(SO4) 5.511e-06 5.511e-06 -5.259 -5.259 0.000 (0) +Mg 7.303e-05 + Mg+2 6.671e-05 4.961e-05 -4.176 -4.304 -0.129 (0) + Mg(SO4) 5.510e-06 5.510e-06 -5.259 -5.259 0.000 (0) Mg(HCO3)+ 5.018e-07 4.660e-07 -6.299 -6.332 -0.032 (0) Mg(CO3) 2.699e-07 2.699e-07 -6.569 -6.569 0.000 (0) Mg(OH)+ 1.587e-08 1.474e-08 -7.799 -7.832 -0.032 (0) - Mg(H3SiO4)+ 7.815e-09 7.257e-09 -8.107 -8.139 -0.032 (0) - Mg(SeO4) 7.110e-09 7.110e-09 -8.148 -8.148 0.000 (0) - Mg4(OH)4+4 1.440e-24 4.403e-25 -23.842 -24.356 -0.515 (0) - Mg(NH3)+2 0.000e+00 0.000e+00 -72.021 -72.149 -0.129 (0) - Mg(S2O3) 0.000e+00 0.000e+00 -151.359 -151.359 0.000 (0) - Mg(NH3)3+2 0.000e+00 0.000e+00 -208.310 -208.439 -0.129 (0) - Mg(NH3)4+2 0.000e+00 0.000e+00 -276.955 -277.084 -0.129 (0) + Mg(H3SiO4)+ 7.813e-09 7.256e-09 -8.107 -8.139 -0.032 (0) + Mg(SeO4) 7.109e-09 7.109e-09 -8.148 -8.148 0.000 (0) + Mg4(OH)4+4 1.439e-24 4.400e-25 -23.842 -24.357 -0.515 (0) + Mg(NH3)+2 0.000e+00 0.000e+00 -72.141 -72.269 -0.129 (0) + Mg(NH3)2+2 0.000e+00 0.000e+00 -140.306 -140.434 -0.129 (0) + Mg(S2O3) 0.000e+00 0.000e+00 -151.369 -151.369 0.000 (0) + Mg(NH3)3+2 0.000e+00 0.000e+00 -208.671 -208.799 -0.129 (0) + Mg(NH3)4+2 0.000e+00 0.000e+00 -277.436 -277.564 -0.129 (0) Mo 5.508e-06 MoO4-2 5.508e-06 4.096e-06 -5.259 -5.388 -0.129 (0) - HMoO4- 3.997e-10 3.712e-10 -9.398 -9.430 -0.032 (0) + HMoO4- 3.997e-10 3.711e-10 -9.398 -9.430 -0.032 (0) H2MoO4 2.862e-14 2.862e-14 -13.543 -13.543 0.000 (0) Mo2O5(OH)+ 3.111e-33 2.889e-33 -32.507 -32.539 -0.032 (0) Mo7O24-6 0.000e+00 0.000e+00 -51.428 -52.586 -1.158 (0) Mo7O23(OH)-5 0.000e+00 0.000e+00 -53.075 -53.879 -0.804 (0) - Mo7O22(OH)2-4 0.000e+00 0.000e+00 -56.017 -56.532 -0.515 (0) + Mo7O22(OH)2-4 0.000e+00 0.000e+00 -56.017 -56.531 -0.515 (0) Mo7O21(OH)3-3 0.000e+00 0.000e+00 -60.625 -60.914 -0.290 (0) - Mo+3 0.000e+00 0.000e+00 -85.887 -86.177 -0.289 (0) - Mo19O59-4 0.000e+00 0.000e+00 -182.746 -183.261 -0.515 (0) + Mo+3 0.000e+00 0.000e+00 -85.895 -86.184 -0.289 (0) + Mo19O59-4 0.000e+00 0.000e+00 -182.746 -183.260 -0.515 (0) N(-3) 0.000e+00 - NH4+ 0.000e+00 0.000e+00 -66.836 -66.868 -0.032 (0) - NH3 0.000e+00 0.000e+00 -67.945 -67.945 0.000 (0) - Ca(NH3)+2 0.000e+00 0.000e+00 -70.982 -71.111 -0.129 (0) - Mg(NH3)+2 0.000e+00 0.000e+00 -72.021 -72.149 -0.129 (0) - Sr(NH3)+2 0.000e+00 0.000e+00 -74.186 -74.315 -0.129 (0) - Fe(NH3)+2 0.000e+00 0.000e+00 -87.867 -87.995 -0.129 (0) - Ca(NH3)2+2 0.000e+00 0.000e+00 -139.527 -139.655 -0.129 (0) - Fe(NH3)2+2 0.000e+00 0.000e+00 -155.012 -155.140 -0.129 (0) - Ca(NH3)3+2 0.000e+00 0.000e+00 -208.272 -208.400 -0.129 (0) - Mg(NH3)3+2 0.000e+00 0.000e+00 -208.310 -208.439 -0.129 (0) - Mg(NH3)4+2 0.000e+00 0.000e+00 -276.955 -277.084 -0.129 (0) - Ca(NH3)4+2 0.000e+00 0.000e+00 -277.317 -277.445 -0.129 (0) - Fe(NH3)4+2 0.000e+00 0.000e+00 -289.402 -289.530 -0.129 (0) + NH4+ 0.000e+00 0.000e+00 -66.946 -66.978 -0.032 (0) + NH3 0.000e+00 0.000e+00 -68.065 -68.065 0.000 (0) + Ca(NH3)+2 0.000e+00 0.000e+00 -71.102 -71.231 -0.129 (0) + Mg(NH3)+2 0.000e+00 0.000e+00 -72.141 -72.269 -0.129 (0) + Sr(NH3)+2 0.000e+00 0.000e+00 -74.307 -74.435 -0.129 (0) + Fe(NH3)+2 0.000e+00 0.000e+00 -86.569 -86.698 -0.129 (0) + Ca(NH3)2+2 0.000e+00 0.000e+00 -139.767 -139.896 -0.129 (0) + Mg(NH3)2+2 0.000e+00 0.000e+00 -140.306 -140.434 -0.129 (0) + Fe(NH3)2+2 0.000e+00 0.000e+00 -153.834 -153.963 -0.129 (0) + Ca(NH3)3+2 0.000e+00 0.000e+00 -208.632 -208.761 -0.129 (0) + Mg(NH3)3+2 0.000e+00 0.000e+00 -208.671 -208.799 -0.129 (0) + Mg(NH3)4+2 0.000e+00 0.000e+00 -277.436 -277.564 -0.129 (0) + Ca(NH3)4+2 0.000e+00 0.000e+00 -277.797 -277.926 -0.129 (0) + Fe(NH3)4+2 0.000e+00 0.000e+00 -288.464 -288.593 -0.129 (0) N(5) 1.000e-05 NO3- 1.000e-05 9.286e-06 -5.000 -5.032 -0.032 (0) - Sr(NO3)+ 6.024e-11 5.594e-11 -10.220 -10.252 -0.032 (0) - Sr(NO3)2 2.664e-16 2.664e-16 -15.574 -15.574 0.000 (0) - Fe(NO3)+2 1.343e-26 9.988e-27 -25.872 -26.001 -0.129 (0) + Sr(NO3)+ 6.023e-11 5.593e-11 -10.220 -10.252 -0.032 (0) + Sr(NO3)2 2.664e-16 2.664e-16 -15.575 -15.575 0.000 (0) + Fe(NO3)+2 3.222e-25 2.396e-25 -24.492 -24.620 -0.129 (0) Na 1.700e-04 Na+ 1.699e-04 1.577e-04 -3.770 -3.802 -0.032 (0) Na(HCO3) 7.598e-08 7.598e-08 -7.119 -7.119 0.000 (0) Na(CO3)- 1.802e-08 1.673e-08 -7.744 -7.776 -0.032 (0) NaAl(OH)4 2.889e-12 2.889e-12 -11.539 -11.539 0.000 (0) - Na(S2O3)- 0.000e+00 0.000e+00 -152.034 -152.067 -0.032 (0) + Na(S2O3)- 0.000e+00 0.000e+00 -152.044 -152.077 -0.032 (0) O(0) 5.024e-04 O2 2.512e-04 2.512e-04 -3.600 -3.600 0.000 (0) - HSO5- 4.731e-31 4.393e-31 -30.325 -30.357 -0.032 (0) - S2O8-2 0.000e+00 0.000e+00 -46.736 -46.864 -0.129 (0) - CO 0.000e+00 0.000e+00 -51.140 -51.140 0.000 (0) - Mo+3 0.000e+00 0.000e+00 -85.887 -86.177 -0.289 (0) - Se2-2 0.000e+00 0.000e+00 -157.955 -158.083 -0.129 (0) - S3O6-2 0.000e+00 0.000e+00 -180.836 -180.965 -0.129 (0) - Se3-2 0.000e+00 0.000e+00 -212.564 -212.693 -0.129 (0) - S2-2 0.000e+00 0.000e+00 -254.036 -254.165 -0.129 (0) - Se4-2 0.000e+00 0.000e+00 -268.773 -268.902 -0.129 (0) - S4O6-2 0.000e+00 0.000e+00 -273.537 -273.665 -0.129 (0) - S3-2 0.000e+00 0.000e+00 -359.376 -359.505 -0.129 (0) - S5O6-2 0.000e+00 0.000e+00 -395.637 -395.765 -0.129 (0) - S4-2 0.000e+00 0.000e+00 -465.817 -465.945 -0.129 (0) - S5-2 0.000e+00 0.000e+00 -572.477 -572.605 -0.129 (0) S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -142.375 -142.407 -0.032 (0) - H2S 0.000e+00 0.000e+00 -143.570 -143.570 0.000 (0) - S-2 0.000e+00 0.000e+00 -151.226 -151.355 -0.129 (0) - Fe(HS)+ 0.000e+00 0.000e+00 -159.386 -159.418 -0.032 (0) - S2-2 0.000e+00 0.000e+00 -254.036 -254.165 -0.129 (0) - Fe(HS)2 0.000e+00 0.000e+00 -299.715 -299.715 0.000 (0) - S3-2 0.000e+00 0.000e+00 -359.376 -359.505 -0.129 (0) - S4-2 0.000e+00 0.000e+00 -465.817 -465.945 -0.129 (0) - S5-2 0.000e+00 0.000e+00 -572.477 -572.605 -0.129 (0) - Sb2HS4- 0.000e+00 0.000e+00 -606.373 -606.405 -0.032 (0) - Sb2S4-2 0.000e+00 0.000e+00 -607.643 -607.772 -0.129 (0) - Sb2H2S4 0.000e+00 0.000e+00 -609.648 -609.648 0.000 (0) + HS- 0.000e+00 0.000e+00 -142.395 -142.427 -0.032 (0) + H2S 0.000e+00 0.000e+00 -143.590 -143.590 0.000 (0) + S-2 0.000e+00 0.000e+00 -151.246 -151.374 -0.129 (0) + Fe(HS)+ 0.000e+00 0.000e+00 -157.988 -158.020 -0.032 (0) + S2-2 0.000e+00 0.000e+00 -254.071 -254.199 -0.129 (0) + Fe(HS)2 0.000e+00 0.000e+00 -298.338 -298.338 0.000 (0) + S3-2 0.000e+00 0.000e+00 -359.426 -359.555 -0.129 (0) + S4-2 0.000e+00 0.000e+00 -465.881 -466.010 -0.129 (0) + S5-2 0.000e+00 0.000e+00 -572.556 -572.685 -0.129 (0) + Sb2HS4- 0.000e+00 0.000e+00 -606.462 -606.494 -0.032 (0) + Sb2S4-2 0.000e+00 0.000e+00 -607.733 -607.862 -0.129 (0) + Sb2H2S4 0.000e+00 0.000e+00 -609.737 -609.737 0.000 (0) S(2) 0.000e+00 - S2O3-2 0.000e+00 0.000e+00 -148.746 -148.875 -0.129 (0) - Ca(S2O3) 0.000e+00 0.000e+00 -150.040 -150.040 0.000 (0) - Mg(S2O3) 0.000e+00 0.000e+00 -151.359 -151.359 0.000 (0) - Na(S2O3)- 0.000e+00 0.000e+00 -152.034 -152.067 -0.032 (0) - Sr(S2O3) 0.000e+00 0.000e+00 -152.655 -152.655 0.000 (0) - H(S2O3)- 0.000e+00 0.000e+00 -155.275 -155.307 -0.032 (0) - H2(S2O3) 0.000e+00 0.000e+00 -162.860 -162.860 0.000 (0) - FeS2O3+ 0.000e+00 0.000e+00 -166.861 -166.893 -0.032 (0) + S2O3-2 0.000e+00 0.000e+00 -148.756 -148.884 -0.129 (0) + Ca(S2O3) 0.000e+00 0.000e+00 -150.600 -150.600 0.000 (0) + Mg(S2O3) 0.000e+00 0.000e+00 -151.369 -151.369 0.000 (0) + Na(S2O3)- 0.000e+00 0.000e+00 -152.044 -152.077 -0.032 (0) + Sr(S2O3) 0.000e+00 0.000e+00 -152.665 -152.665 0.000 (0) + H(S2O3)- 0.000e+00 0.000e+00 -155.285 -155.317 -0.032 (0) + H2(S2O3) 0.000e+00 0.000e+00 -162.870 -162.870 0.000 (0) + FeS2O3+ 0.000e+00 0.000e+00 -165.491 -165.523 -0.032 (0) S(3) 0.000e+00 - S2O4-2 0.000e+00 0.000e+00 -135.416 -135.544 -0.129 (0) - HS2O4- 0.000e+00 0.000e+00 -141.165 -141.197 -0.032 (0) - H2S2O4 0.000e+00 0.000e+00 -149.050 -149.050 0.000 (0) + S2O4-2 0.000e+00 0.000e+00 -135.431 -135.559 -0.129 (0) + HS2O4- 0.000e+00 0.000e+00 -141.180 -141.212 -0.032 (0) + H2S2O4 0.000e+00 0.000e+00 -149.065 -149.065 0.000 (0) S(4) 0.000e+00 - SO3-2 0.000e+00 0.000e+00 -47.866 -47.995 -0.129 (0) - H(SO3)- 0.000e+00 0.000e+00 -48.945 -48.977 -0.032 (0) - SO2 0.000e+00 0.000e+00 -55.270 -55.270 0.000 (0) - H2(SO3) 0.000e+00 0.000e+00 -55.270 -55.270 0.000 (0) - S2O5-2 0.000e+00 0.000e+00 -99.316 -99.445 -0.129 (0) - S3O6-2 0.000e+00 0.000e+00 -180.836 -180.965 -0.129 (0) - S4O6-2 0.000e+00 0.000e+00 -273.537 -273.665 -0.129 (0) - S5O6-2 0.000e+00 0.000e+00 -395.637 -395.765 -0.129 (0) + SO3-2 0.000e+00 0.000e+00 -47.871 -47.999 -0.129 (0) + H(SO3)- 0.000e+00 0.000e+00 -48.950 -48.982 -0.032 (0) + SO2 0.000e+00 0.000e+00 -55.275 -55.275 0.000 (0) + H2(SO3) 0.000e+00 0.000e+00 -55.275 -55.275 0.000 (0) + S2O5-2 0.000e+00 0.000e+00 -99.326 -99.454 -0.129 (0) + S3O6-2 0.000e+00 0.000e+00 -180.856 -180.984 -0.129 (0) + S4O6-2 0.000e+00 0.000e+00 -273.571 -273.699 -0.129 (0) + S5O6-2 0.000e+00 0.000e+00 -395.676 -395.805 -0.129 (0) S(6) 1.000e-03 SO4-2 8.795e-04 6.540e-04 -3.056 -3.184 -0.129 (0) Ca(SO4) 1.148e-04 1.148e-04 -3.940 -3.940 0.000 (0) - Mg(SO4) 5.511e-06 5.511e-06 -5.259 -5.259 0.000 (0) + Mg(SO4) 5.510e-06 5.510e-06 -5.259 -5.259 0.000 (0) Sr(SO4) 1.974e-07 1.974e-07 -6.705 -6.705 0.000 (0) H(SO4)- 4.731e-10 4.393e-10 -9.325 -9.357 -0.032 (0) Al(SO4)+ 1.992e-17 1.850e-17 -16.701 -16.733 -0.032 (0) - Fe(SO4)+ 1.070e-21 9.936e-22 -20.971 -21.003 -0.032 (0) - Fe(SO4) 4.624e-23 4.624e-23 -22.335 -22.335 0.000 (0) - Fe(SO4)2- 1.396e-23 1.297e-23 -22.855 -22.887 -0.032 (0) - FeHSO4+2 2.203e-29 1.638e-29 -28.657 -28.786 -0.129 (0) - Fe(HSO4)+ 2.596e-30 2.411e-30 -29.586 -29.618 -0.032 (0) - HSO5- 4.731e-31 4.393e-31 -30.325 -30.357 -0.032 (0) - S2O8-2 0.000e+00 0.000e+00 -46.736 -46.864 -0.129 (0) -Sb(3) 2.464e-33 - Sb(OH)3 2.463e-33 2.463e-33 -32.609 -32.609 0.000 (0) - Sb(OH)4- 5.707e-37 5.300e-37 -36.244 -36.276 -0.032 (0) - Sb(OH)2+ 3.989e-40 3.704e-40 -39.399 -39.431 -0.032 (0) - Sb(OH)+2 0.000e+00 0.000e+00 -48.045 -48.174 -0.129 (0) - Sb+3 0.000e+00 0.000e+00 -57.507 -57.797 -0.289 (0) - Sb2HS4- 0.000e+00 0.000e+00 -606.373 -606.405 -0.032 (0) - Sb2S4-2 0.000e+00 0.000e+00 -607.643 -607.772 -0.129 (0) - Sb2H2S4 0.000e+00 0.000e+00 -609.648 -609.648 0.000 (0) + Fe(SO4)+ 3.626e-20 3.367e-20 -19.441 -19.473 -0.032 (0) + Fe(SO4)2- 2.213e-21 2.055e-21 -20.655 -20.687 -0.032 (0) + Fe(SO4) 2.101e-21 2.101e-21 -20.677 -20.677 0.000 (0) + HSO5- 4.785e-31 4.444e-31 -30.320 -30.352 -0.032 (0) + S2O8-2 0.000e+00 0.000e+00 -46.731 -46.859 -0.129 (0) +Sb(3) 2.435e-33 + Sb(OH)3 2.435e-33 2.435e-33 -32.614 -32.614 0.000 (0) + Sb(OH)4- 5.642e-37 5.239e-37 -36.249 -36.281 -0.032 (0) + Sb(OH)2+ 3.943e-40 3.662e-40 -39.404 -39.436 -0.032 (0) + Sb(OH)+2 0.000e+00 0.000e+00 -48.050 -48.179 -0.129 (0) + Sb+3 0.000e+00 0.000e+00 -57.512 -57.802 -0.289 (0) + Sb2HS4- 0.000e+00 0.000e+00 -606.462 -606.494 -0.032 (0) + Sb2S4-2 0.000e+00 0.000e+00 -607.733 -607.862 -0.129 (0) + Sb2H2S4 0.000e+00 0.000e+00 -609.737 -609.737 0.000 (0) Sb(5) 2.025e-08 Sb(OH)6- 2.025e-08 1.880e-08 -7.694 -7.726 -0.032 (0) Sb(OH)5 6.941e-14 6.941e-14 -13.159 -13.159 0.000 (0) - Sb(OH)4+ 2.889e-25 2.683e-25 -24.539 -24.571 -0.032 (0) - Sb12(OH)67-7 0.000e+00 0.000e+00 -93.188 -94.763 -1.576 (0) + Sb(OH)4+ 2.890e-25 2.683e-25 -24.539 -24.571 -0.032 (0) + Sb12(OH)67-7 0.000e+00 0.000e+00 -93.187 -94.763 -1.576 (0) Sb12(OH)66-6 0.000e+00 0.000e+00 -95.938 -97.096 -1.158 (0) Sb12(OH)65-5 0.000e+00 0.000e+00 -99.615 -100.419 -0.804 (0) Sb12(OH)64-4 0.000e+00 0.000e+00 -104.437 -104.952 -0.515 (0) Se(-2) 0.000e+00 - HSe- 0.000e+00 0.000e+00 -97.354 -97.387 -0.032 (0) - H2Se 0.000e+00 0.000e+00 -101.689 -101.689 0.000 (0) - Se-2 0.000e+00 0.000e+00 -104.015 -104.144 -0.129 (0) - Se2-2 0.000e+00 0.000e+00 -157.955 -158.083 -0.129 (0) - Se3-2 0.000e+00 0.000e+00 -212.564 -212.693 -0.129 (0) - Se4-2 0.000e+00 0.000e+00 -268.773 -268.902 -0.129 (0) -Se(4) 1.971e-19 - H(SeO3)- 1.111e-19 1.031e-19 -18.954 -18.987 -0.032 (0) - SeO3-2 8.608e-20 6.401e-20 -19.065 -19.194 -0.129 (0) - H2(SeO3) 3.167e-25 3.167e-25 -24.499 -24.499 0.000 (0) - Fe(SeO3)+ 1.175e-30 1.091e-30 -29.930 -29.962 -0.032 (0) - Fe(HSeO3)+2 1.636e-37 1.216e-37 -36.786 -36.915 -0.129 (0) + HSe- 0.000e+00 0.000e+00 -97.374 -97.407 -0.032 (0) + H2Se 0.000e+00 0.000e+00 -101.709 -101.709 0.000 (0) + Se-2 0.000e+00 0.000e+00 -104.035 -104.164 -0.129 (0) + Se2-2 0.000e+00 0.000e+00 -157.989 -158.118 -0.129 (0) + Se3-2 0.000e+00 0.000e+00 -212.614 -212.742 -0.129 (0) + Se4-2 0.000e+00 0.000e+00 -268.838 -268.967 -0.129 (0) +Se(4) 1.949e-19 + H(SeO3)- 1.098e-19 1.020e-19 -18.959 -18.992 -0.032 (0) + SeO3-2 8.509e-20 6.328e-20 -19.070 -19.199 -0.129 (0) + H2(SeO3) 3.131e-25 3.131e-25 -24.504 -24.504 0.000 (0) + Fe(SeO3)+ 2.787e-29 2.588e-29 -28.555 -28.587 -0.032 (0) + Fe(HSeO3)+2 3.879e-36 2.885e-36 -35.411 -35.540 -0.129 (0) Se(6) 1.301e-06 SeO4-2 1.216e-06 9.041e-07 -5.915 -6.044 -0.129 (0) Ca(SeO4) 7.774e-08 7.774e-08 -7.109 -7.109 0.000 (0) - Mg(SeO4) 7.110e-09 7.110e-09 -8.148 -8.148 0.000 (0) + Mg(SeO4) 7.109e-09 7.109e-09 -8.148 -8.148 0.000 (0) H(SeO4)- 3.851e-13 3.576e-13 -12.414 -12.447 -0.032 (0) - Fe(SeO4) 2.069e-25 2.069e-25 -24.684 -24.684 0.000 (0) + Fe(SeO4) 5.410e-24 5.410e-24 -23.267 -23.267 0.000 (0) Si 4.000e-04 H4(SiO4) 3.911e-04 3.911e-04 -3.408 -3.408 0.000 (0) H3(SiO4)- 8.655e-06 8.037e-06 -5.063 -5.095 -0.032 (0) Ca(H3SiO4)+ 7.615e-08 7.072e-08 -7.118 -7.150 -0.032 (0) Si2O2(OH)5- 7.406e-08 6.877e-08 -7.130 -7.163 -0.032 (0) - Mg(H3SiO4)+ 7.815e-09 7.257e-09 -8.107 -8.139 -0.032 (0) + Mg(H3SiO4)+ 7.813e-09 7.256e-09 -8.107 -8.139 -0.032 (0) Si2O3(OH)4-2 1.655e-10 1.231e-10 -9.781 -9.910 -0.129 (0) H2(SiO4)-2 7.701e-11 5.727e-11 -10.113 -10.242 -0.129 (0) Si4O6(OH)6-2 1.598e-13 1.188e-13 -12.796 -12.925 -0.129 (0) AlH3SiO4+2 5.962e-15 4.434e-15 -14.225 -14.353 -0.129 (0) Si3O6(OH)3-3 1.678e-15 8.618e-16 -14.775 -15.065 -0.289 (0) Si3O5(OH)5-3 1.333e-15 6.845e-16 -14.875 -15.165 -0.289 (0) - Fe(H3SiO4)+2 2.067e-17 1.537e-17 -16.685 -16.813 -0.129 (0) - Si4O7(OH)6-4 2.483e-20 7.595e-21 -19.605 -20.119 -0.515 (0) + Fe(H3SiO4)+2 4.959e-16 3.688e-16 -15.305 -15.433 -0.129 (0) + Si4O7(OH)6-4 2.483e-20 7.594e-21 -19.605 -20.120 -0.515 (0) Si4O8(OH)4-4 1.973e-20 6.033e-21 -19.705 -20.219 -0.515 (0) - Si6O15-6 6.739e-33 4.687e-34 -32.171 -33.329 -1.158 (0) + Si6O15-6 6.738e-33 4.687e-34 -32.171 -33.329 -1.158 (0) Sr 2.259e-06 - Sr+2 2.035e-06 1.513e-06 -5.691 -5.820 -0.129 (0) + Sr+2 2.034e-06 1.513e-06 -5.692 -5.820 -0.129 (0) Sr(SO4) 1.974e-07 1.974e-07 -6.705 -6.705 0.000 (0) - Sr(HCO3)+ 2.112e-08 1.962e-08 -7.675 -7.707 -0.032 (0) + Sr(HCO3)+ 2.112e-08 1.961e-08 -7.675 -7.707 -0.032 (0) Sr(CO3) 5.564e-09 5.564e-09 -8.255 -8.255 0.000 (0) - Sr(NO3)+ 6.024e-11 5.594e-11 -10.220 -10.252 -0.032 (0) + Sr(NO3)+ 6.023e-11 5.593e-11 -10.220 -10.252 -0.032 (0) Sr(OH)+ 1.188e-11 1.103e-11 -10.925 -10.957 -0.032 (0) - Sr(NO3)2 2.664e-16 2.664e-16 -15.574 -15.574 0.000 (0) - Sr(NH3)+2 0.000e+00 0.000e+00 -74.186 -74.315 -0.129 (0) - Sr(S2O3) 0.000e+00 0.000e+00 -152.655 -152.655 0.000 (0) + Sr(NO3)2 2.664e-16 2.664e-16 -15.575 -15.575 0.000 (0) + Sr(NH3)+2 0.000e+00 0.000e+00 -74.307 -74.435 -0.129 (0) + Sr(S2O3) 0.000e+00 0.000e+00 -152.665 -152.665 0.000 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - Acmite -0.84 0.08 0.92 NaFeSi2O6 + Acmite 0.57 1.46 0.89 NaFeSi2O6 Afwillite -16.52 32.90 49.42 Ca3Si2O4(OH)6 - Al(s) -139.48 10.44 149.92 Al + Al(cr) -139.48 -54.05 85.43 Al Albite-high -2.27 1.87 4.14 NaAlSi3O8 Albite-low -0.87 1.87 2.74 NaAlSi3O8 - Amesite 2.73 72.15 69.42 Mg4Al4Si2O10(OH)8 - Amesite-Fe -53.08 3.96 57.04 Fe4Al4Si2O10(OH)8 - Analcime -1.53 5.12 6.65 Na0.99Al0.99Si2.01O6:H2O + Amesite 2.76 72.15 69.39 Mg4Al4Si2O10(OH)8 + Amesite-Fe -47.47 9.63 57.10 Fe4Al4Si2O10(OH)8 + Analcime -1.52 5.12 6.64 Na0.99Al0.99Si2.01O6:H2O Anhydrite -1.81 -6.25 -4.44 Ca(SO4) - Annite -46.27 -13.50 32.77 KFe3Si3AlO10(OH)2 + Annite -42.06 -9.24 32.82 KFe3Si3AlO10(OH)2 Anorthite -3.41 21.90 25.31 CaAl2Si2O8 - Antigorite -39.96 460.20 500.16 Mg48Si34O85(OH)62 + Antigorite -39.69 460.19 499.89 Mg48Si34O85(OH)62 Aragonite -0.00 -8.31 -8.31 CaCO3 Arcanite -9.40 -11.25 -1.85 K2SO4 Artinite -7.36 2.45 9.81 Mg2(CO3)(OH)2:3H2O @@ -1577,168 +1544,176 @@ Sr 2.259e-06 Beidellite-K 2.44 7.04 4.60 K0.34Al2.34Si3.66O10(OH)2 Beidellite-Mg 2.45 7.68 5.23 Mg0.17Al2.34Si3.66O10(OH)2 Beidellite-Na 2.02 7.12 5.10 Na0.34Al2.34Si3.66O10(OH)2 - Beidellite_SBld-1 1.80 9.39 7.59 Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2 - Beidellite_SBld-1(4.576H2O) 5.10 9.39 4.29 Ca0.185K0.104Si3.574Al2.238Mg0.090Fe0.112O10(OH)2:4.576H2O - Berthierine(FeII) -32.58 1.98 34.56 (Fe2Al)(SiAl)O5(OH)4 - Berthierine(FeIII) -36.67 -7.87 28.80 (Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4 - Berthierine_ISGS -24.66 3.27 27.93 (Si1.332Al0.668)(Al0.976Fe0.182Fe1.44Mg0.157)O5(OH)4 - Berthierine_Lorraine 5.68 6.71 1.03 Fe0.608Fe0.936Mg0.37Al1.052Si1.52O5(OH)4 + Beidellite_SBld-1 1.96 9.54 7.58 Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2 + Beidellite_SBld-1(4.576H2O) 5.28 9.54 4.26 Ca0.185K0.104Si3.574Al2.238Mg0.090Fe0.112O10(OH)2:4.576H2O + Berthierine(FeII) -29.79 4.82 34.61 (Fe2Al)(SiAl)O5(OH)4 + Berthierine(FeIII) -32.95 -4.10 28.85 (Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4 + Berthierine_ISGS -22.38 5.56 27.94 (Si1.332Al0.668)(Al0.976Fe0.182Fe1.44Mg0.157)O5(OH)4 + Berthierine_Lorraine 7.86 8.87 1.01 Fe0.608Fe0.936Mg0.37Al1.052Si1.52O5(OH)4 Bloedite -15.93 -18.28 -2.35 Na2Mg(SO4)2:4H2O Boehmite 0.12 7.74 7.62 AlO(OH) Brucite -5.10 12.00 17.10 Mg(OH)2 Burkeite -33.66 -34.43 -0.77 Na6(CO3)(SO4)2 - C(cr) -71.78 -17.95 53.83 C + C(cr) -71.79 -103.94 -32.15 C C2SH(alpha) -12.47 23.07 35.54 Ca2(HSiO4)(OH) C3AH6 -25.12 55.20 80.32 Ca3Al2(OH)12 - C3FH6 -27.59 44.80 72.39 Ca3Fe2(OH)12 + C3FH6 -24.77 47.56 72.33 Ca3Fe2(OH)12 C4AH13 -35.21 68.44 103.65 Ca4Al2(OH)14:6H2O - C4FH13 -37.12 58.04 95.16 Ca4Fe2(OH)14:6H2O + C4FH13 -34.28 60.80 95.08 Ca4Fe2(OH)14:6H2O + Ca(cr) -124.81 -27.95 96.85 Ca Ca(NO3)2(s) -19.02 -13.13 5.89 Ca(NO3)2 - Ca(s) -124.80 15.04 139.84 Ca Ca(SeO3):H2O(s) -15.86 -22.26 -6.40 Ca(SeO3):H2O Ca(SeO4):2H2O(s) -6.43 -9.11 -2.68 Ca(SeO4):2H2O - Ca(SO3)(s) -44.56 -51.06 -6.50 Ca(SO3) - Ca2Fe2O5(s) -25.20 31.56 56.76 Ca2Fe2O5 + Ca(SO3)(s) -44.57 -51.07 -6.50 Ca(SO3) + Ca2Fe2O5(s) -22.42 34.32 56.74 Ca2Fe2O5 CaCO3:H2O(s) -0.71 -8.31 -7.60 CaCO3:H2O - CaFe2O4(s) -2.92 18.32 21.24 CaFe2O4 + CaFe2O4(s) -0.16 21.08 21.24 CaFe2O4 Calcite 0.17 -8.31 -8.48 CaCO3 CaMg3(CO3)4(s) -6.15 -36.96 -30.81 CaMg3(CO3)4 - CaMgSr(CO3)2 -0.00 2.75 2.75 CaMg0.97Sr0.03(MoO4)0.00011(Sb(OH)6)0.0000033(SeO3)0.00001(CO3)1.9998767 + CaMgSr(CO3)2 0.00 2.75 2.75 CaMg0.97Sr0.03(MoO4)0.00011(Sb(OH)6)0.0000033(SeO3)0.00001(CO3)1.9998767 CaMoO4(s) -0.55 -8.45 -7.90 CaMoO4 CaO(cr) -19.46 13.24 32.70 CaO - Celadonite-Fe -17.03 -6.81 10.22 KFeAlSi4O10(OH)2 - Celadonite-Mg 0.01 10.23 10.22 KMgAlSi4O10(OH)2 + Celadonite-Fe -11.85 -5.40 6.45 KFeAlSi4O10(OH)2 + Celadonite-Mg 0.03 10.23 10.20 KMgAlSi4O10(OH)2 Celestite -2.38 -9.00 -6.62 Sr(SO4) - CH4(g) -145.26 -14.35 130.91 CH4 - Chabazite 3.55 15.09 11.54 CaAl2Si4O12:6H2O - Chamosite -67.57 -19.97 47.60 Fe5Al2Si3O10(OH)8 - Clinochlore 3.54 65.26 61.72 Mg5Al2Si3O10(OH)8 + CH4(g) -145.28 -186.33 -41.05 CH4 + Chabazite 3.57 15.09 11.52 CaAl2Si4O12:6H2O + Chamosite -60.56 -12.88 47.68 Fe5Al2Si3O10(OH)8 + Chukanovite -31.77 -28.80 2.97 Fe2(OH)2CO3 + Clinochlore 3.58 65.26 61.68 Mg5Al2Si3O10(OH)8 Clinoptilolite_Ca 1.45 -0.90 -2.35 Ca0.55(Si4.9Al1.1)O12:3.9H2O Clinoptilolite_K -2.42 -3.65 -1.23 K1.1(Si4.9Al1.1)O12:2.7H2O Clinoptilolite_Na -3.31 -3.40 -0.09 Na1.1(Si4.9Al1.1)O12:3.5H2O - CO(g) -48.10 -19.75 28.35 CO + CO(g) -48.11 -62.75 -14.64 CO CO2(g) -3.40 -21.55 -18.15 CO2 Corundum -2.82 15.48 18.30 Al2O3 Cristobalite -0.25 -3.41 -3.16 SiO2 - Cronstedtite-Th -24.53 -8.42 16.11 Fe4SiO5(OH)4 + Cronstedtite-Th -18.93 -2.82 16.11 Fe4SiO5(OH)4 CSH0.8 -3.87 7.18 11.05 Ca0.8SiO2.8:1.54H2O CSH1.2 -6.82 12.48 19.30 Ca1.2SiO3.2:2.06H2O CSH1.6 -10.22 17.78 28.00 Ca1.6SiO3.6:2.58H2O Dawsonite -3.46 -9.46 -6.00 NaAl(CO3)(OH)2 - Diaspore 0.88 7.74 6.86 AlO(OH) + Diaspore 0.87 7.74 6.87 AlO(OH) Dickite -0.73 8.66 9.39 Al2Si2O5(OH)4 - Dolomite -0.74 -17.86 -17.12 CaMg(CO3)2 + Dolomite -0.73 -17.86 -17.13 CaMg(CO3)2 Downeyite -27.35 -35.50 -8.15 SeO2 - Eastonite -1.79 44.53 46.32 KMg2Al3Si2O10(OH)2 + Eastonite -1.77 44.53 46.30 KMg2Al3Si2O10(OH)2 Epsonite -5.61 -7.49 -1.88 Mg(SO4):7H2O Ettringite -20.52 36.45 56.97 Ca6Al2(SO4)3(OH)12:26H2O - Ettringite-Fe -28.50 26.05 54.55 Ca6Fe2(SO4)3(OH)12:26H2O - Fayalite -33.01 -13.50 19.51 Fe2(SiO4) - Fe(OH)2(cr) -17.80 -5.04 12.76 Fe(OH)2 - Fe(s) -62.09 -3.24 58.85 Fe - Fe1.04Se(beta) -109.03 -110.71 -1.68 Fe1.04Se - Fe2(SeO3)3:6H2O(s) -59.84 -101.42 -41.58 Fe2(SeO3)3:6H2O - Fe3Se4(gamma) -370.50 -439.09 -68.59 Fe3Se4 - Fe7Se8(alfa) -802.84 -881.43 -78.59 Fe7Se8 - FeAl2O4(s) -16.76 10.44 27.20 FeAl2O4 - FeMoO4(s) -18.39 -26.74 -8.35 FeMoO4 - FeO(s) -18.41 -5.04 13.37 FeO - Ferrihydrite(am) -0.00 2.54 2.54 Fe(OH)3 - Ferroselite -157.80 -217.92 -60.12 FeSe2 - Ferrosilite -41.16 -8.45 32.71 FeSiO3 - Ferryhydrite 1.35 2.54 1.19 Fe(OH)3 - FeS(am) -152.66 -155.61 -2.95 FeS + Ettringite-Fe -25.74 28.81 54.55 Ca6Fe2(SO4)3(OH)12:26H2O + Fayalite -30.21 -10.66 19.55 Fe2(SiO4) + Fe(alpha,cr) -60.71 -44.82 15.89 Fe + Fe(OH)2(cr) -16.41 -3.63 12.78 Fe(OH)2 + Fe0.932O(s) -14.09 -0.58 13.51 Fe0.932O + Fe1.04Se(beta) -107.60 -110.98 -3.38 Fe1.04Se + Fe2(SeO3)3:6H2O(s) -57.09 -98.67 -41.58 Fe2(SeO3)3:6H2O + Fe3O4(s) -8.39 4.21 12.60 Fe3O4 + Fe3Se4(gamma) -366.39 -391.92 -25.53 Fe3Se4 + Fe7Se8(alfa) -793.23 -828.67 -35.44 Fe7Se8 + FeAl2O4(s) -15.35 11.85 27.20 FeAl2O4 + FeMoO4(s) -17.00 -25.32 -8.32 FeMoO4 + FeO(s) -17.02 -3.63 13.39 FeO + Ferrihydrite(am) -0.00 3.92 3.92 Fe(OH)3 + Ferrihydrite(cr) 2.70 3.92 1.22 Fe(OH)3 + Ferrihydrite(s) 1.14 3.92 2.78 Fe(OH)3 + Ferroselite -156.45 -173.55 -17.10 FeSe2 + Ferrosilite -39.75 -7.04 32.71 FeSiO3 + FeS(am) -151.26 -154.21 -2.95 FeS Foshagite -23.22 42.74 65.96 Ca4Si3O9(OH)2:0.5H2O Gaylussite -11.73 -21.16 -9.43 CaNa2(CO3)2:5H2O Gibbsite 0.00 7.74 7.74 Al(OH)3 - Gismondine 4.80 43.81 39.01 Ca2Al4Si4O16:9H2O + Gismondine 4.84 43.81 38.97 Ca2Al4Si4O16:9H2O Glaserite -36.92 -44.53 -7.61 Na2K6(SO4)4 Glauberite -19.01 -17.04 1.97 Na2Ca(SO4)2 - Glauconite -2.76 -0.90 1.86 (K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 - Goethite 2.15 2.54 0.39 FeOOH - Greenalite -43.72 -21.95 21.77 Fe3Si2O5(OH)4 + Glauconite -0.66 1.18 1.84 (K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 + Goethite 3.75 3.92 0.17 FeOOH + GR-CO3 -57.62 -2.12 55.50 Fe4Fe2(OH)12CO3:2H2O + GR-SO4 -58.36 -0.06 58.30 Fe4Fe2(OH)12SO4 + Greenalite -39.52 -17.70 21.82 Fe3Si2O5(OH)4 + Greigite -556.98 -572.01 -15.03 Fe3S4 Gypsum -1.64 -6.25 -4.61 CaSO4:2H2O Gyrolite -6.08 16.26 22.34 Ca2Si3O7.5(OH):2H2O - H2(g) -41.19 1.80 42.99 H2 + H2(g) -41.20 -41.20 0.00 H2 H2MoO4(s) -8.52 -21.69 -13.17 H2MoO4 - H2O(g) -1.50 -0.00 1.50 H2O - H2S(g) -142.56 -150.56 -8.00 H2S + H2O(g) -1.50 -43.00 -41.50 H2O + H2S(g) -142.58 -150.58 -8.00 H2S Halloysite -1.66 8.66 10.32 Al2Si2O5(OH)4 - HBeidellite-Ca 5.78 7.89 2.11 Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O - HBeidellite-K 4.80 7.04 2.24 K0.34Al2.34Si3.66O10(OH)2:1.96H2O - HBeidellite-Mg 5.44 7.68 2.24 Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O - HBeidellite-Na 5.26 7.12 1.86 Na0.34Al2.34Si3.66O10(OH)2:3.84H2O - Hematite 6.10 5.08 -1.02 Fe2O3 + HBeidellite-Ca 5.80 7.89 2.09 Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O + HBeidellite-K 4.82 7.04 2.22 K0.34Al2.34Si3.66O10(OH)2:1.96H2O + HBeidellite-Mg 5.47 7.68 2.21 Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O + HBeidellite-Na 5.29 7.12 1.83 Na0.34Al2.34Si3.66O10(OH)2:3.84H2O + Hematite(cr) 8.67 7.84 -0.83 Fe2O3 + Hematite(s) 7.94 7.84 -0.10 Fe2O3 Hemicarboaluminate -57.87 115.33 173.20 Ca6O6:Al4O6:CaCO3:Ca(OH)2:21H2O Heulandite_Ca 4.89 7.35 2.46 Ca1.07Al2.14Si6.86O18:6.17H2O Heulandite_Na -0.30 2.50 2.80 Na2.14Al2.14Si6.86O18:6.17H2O Hexahydrite -5.85 -7.49 -1.64 Mg(SO4):6H2O Hillebrandite -13.88 23.07 36.95 Ca2SiO3(OH)2:0.17H2O - HMontmorillonite-BCCa 3.35 5.55 2.20 Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O - HMontmorillonite-BCK 2.61 4.70 2.09 K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O - HMontmorillonite-BCMg 2.99 5.34 2.35 Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O - HMontmorillonite-BCNa 2.99 4.78 1.79 Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O - HMontmorillonite-HCCa 2.20 8.38 6.18 Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O - HMontmorillonite-HCK 2.62 6.88 4.26 K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O - HMontmorillonite-HCMg 1.51 8.01 6.50 Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O - HMontmorillonite-HCNa 2.46 7.02 4.56 Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O - HNontronite-Ca 2.04 -0.79 -2.83 Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O - HNontronite-K 1.06 -1.64 -2.70 K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O - HNontronite-Mg 1.53 -1.00 -2.53 Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O - HNontronite-Na 1.52 -1.57 -3.09 Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O - HSaponite-Ca 0.02 28.41 28.39 Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O - HSaponite-FeCa -16.61 11.37 27.98 Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O - HSaponite-FeK -17.59 10.52 28.11 K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O - HSaponite-FeMg -16.91 11.16 28.07 Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O - HSaponite-FeNa -17.12 10.60 27.72 Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O - HSaponite-K -0.96 27.56 28.52 K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O - HSaponite-Mg -0.31 28.20 28.51 Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O - HSaponite-Na -0.49 27.64 28.13 Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O - HVermiculite-Ca -60.20 37.65 97.85 Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:4.45H2O - HVermiculite-K -52.21 35.50 87.71 K0.86Mg3.00Si3.14Al0.86O10(OH)2:1.96H2O - HVermiculite-Mg -31.09 37.12 68.21 Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:4.61H2O - HVermiculite-Na -60.85 35.70 96.55 Na0.86Mg3.00Si3.14Al0.86O10(OH)2:3.84H2O + HMontmorillonite-BCCa 3.37 5.55 2.18 Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O + HMontmorillonite-BCK 2.63 4.70 2.07 K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O + HMontmorillonite-BCMg 3.01 5.34 2.33 Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O + HMontmorillonite-BCNa 3.01 4.78 1.77 Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O + HMontmorillonite-HCCa 2.23 8.38 6.15 Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O + HMontmorillonite-HCK 2.64 6.88 4.24 K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O + HMontmorillonite-HCMg 1.54 8.01 6.47 Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O + HMontmorillonite-HCNa 2.48 7.02 4.54 Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O + HNontronite-Ca 4.40 1.51 -2.89 Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O + HNontronite-K 0.28 0.66 0.38 K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O + HNontronite-Mg 3.89 1.30 -2.59 Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O + HNontronite-Na 3.88 0.74 -3.14 Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O + HSaponite-Ca 0.05 28.41 28.36 Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O + HSaponite-FeCa -15.18 12.79 27.97 Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O + HSaponite-FeK -16.17 11.94 28.11 K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O + HSaponite-FeMg -15.50 12.57 28.07 Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O + HSaponite-FeNa -15.71 12.01 27.72 Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O + HSaponite-K -0.93 27.56 28.49 K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O + HSaponite-Mg -0.28 28.20 28.48 Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O + HSaponite-Na -0.39 27.64 28.03 Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O + HVermiculite-Ca -60.17 37.65 97.82 Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:4.45H2O + HVermiculite-K -52.18 35.50 87.68 K0.86Mg3.00Si3.14Al0.86O10(OH)2:1.96H2O + HVermiculite-Mg -31.06 37.12 68.18 Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:4.61H2O + HVermiculite-Na -60.82 35.70 96.52 Na0.86Mg3.00Si3.14Al0.86O10(OH)2:3.84H2O Hydrotalcite -10.26 63.48 73.74 Mg4Al2(OH)14:3H2O Hydrotalcite-CO3 -8.93 41.93 50.86 Mg4Al2(OH)12CO3:2H2O Illite-Al 1.81 14.83 13.02 K0.85Al2.85Si3.15O10(OH)2 - Illite-FeII -0.61 8.84 9.45 K0.85Fe0.25Al2.35Si3.4O10(OH)2 - illite-FeIII 1.16 13.53 12.37 K0.85Fe0.25Al2.6Si3.15O10(OH)2 + Illite-FeII -0.26 9.20 9.46 K0.85Fe0.25Al2.35Si3.4O10(OH)2 + Illite-FeIII 1.51 13.87 12.36 K0.85Fe0.25Al2.6Si3.15O10(OH)2 Illite-Mg 2.10 13.11 11.01 K0.85Mg0.25Al2.35Si3.4O10(OH)2 - Illite-Smec_ISCz-1(2.996H2O) -3.72 9.93 13.65 (Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.996H2O - Illite/smectiteISCz-1 -0.12 10.78 10.90 (Ca0.092K0.439)(Si3.559Al0.441)(Al1.728Fe0.011Fe0.034Mg0.255)O10(OH)2 - Illite_Imt-2 -0.75 10.79 11.54 (Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2 + Illite-Smec_ISCz-1(2.996H2O) -3.58 10.03 13.61 (Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.996H2O + Illite/smectite -0.05 10.84 10.89 (Ca0.092K0.439)(Si3.559Al0.441)(Al1.728Fe0.011Fe0.034Mg0.255)O10(OH)2 + Illite_Imt-2 -0.21 11.31 11.52 (Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2 Jaffeite -41.44 72.62 114.06 Ca6(Si2O7)(OH)6 - Jennite -48.62 98.71 147.33 Ca9Si6O16(OH)10:6(H2O) - K(cr) -65.96 5.02 70.99 K + Jennite -48.62 98.71 147.33 Ca9Si6O16(OH)10:6H2O + K(cr) -65.97 -16.48 49.49 K K(NO3)(s) -8.96 -9.06 -0.10 K(NO3) K(OH)(s) -20.48 4.12 24.60 K(OH) K-carbonate -16.34 -13.31 3.03 K2CO3:1.5H2O K-trona -21.41 -30.51 -9.10 K2NaH(CO3)2:2H2O K2CO3(cr) -18.72 -13.31 5.41 K2CO3 K2O(s) -75.87 8.24 84.11 K2O + KAl(OH)4 -12.36 11.86 24.22 KAl(OH)4 KAl(SO4)2(s) -30.86 -27.12 3.74 KAl(SO4)2 KAl(SO4)2:12H2O(s) -20.44 -27.12 -6.68 KAl(SO4)2:12H2O Kalicinite -7.37 -17.43 -10.06 KHCO3 - Kaolinite 2.15 8.66 6.51 Al2(Si2O5)(OH)4 + Kaolinite 2.16 8.66 6.50 Al2(Si2O5)(OH)4 Katoite -19.37 51.79 71.16 Ca3Al2(SiO4)(OH)8 Lansfordite -4.51 -9.55 -5.04 Mg(CO3):5H2O - Laumontite 3.39 15.09 11.70 CaAl2Si4O12:4H2O + Laumontite 3.42 15.09 11.67 CaAl2Si4O12:4H2O Leonhardtite -6.60 -7.49 -0.89 MgSO4:4H2O Leonite -14.76 -18.74 -3.98 K2Mg(SO4)2:4H2O - Lepidocrocite 1.79 2.54 0.75 FeOOH - Lizardite -3.91 29.19 33.10 Mg3Si2O5(OH)4 - Mackinawite -152.01 -155.61 -3.60 FeS - Maghemite(disord) 1.77 5.08 3.31 Fe2O3 - Maghemite(ord) 1.56 5.08 3.52 Fe2O3 + Lepidocrocite 2.06 3.92 1.86 FeOOH + Lizardite -3.89 29.19 33.08 Mg3Si2O5(OH)4 + Mackinawite -151.02 -154.21 -3.19 FeS + Maghemite 5.05 7.84 2.79 Fe2O3 Magnesite(nat) -0.64 -9.55 -8.91 MgCO3 Magnesite(syn) -1.45 -9.55 -8.10 Mg(CO3) - Magnetite -10.37 0.04 10.41 Fe3O4 - Margarite 0.38 37.38 37.00 CaAl4Si2O10(OH)2 - Melanterite -22.33 -24.54 -2.21 FeSO4:7H2O + Magnetite -6.13 4.21 10.34 Fe3O4 + Margarite 0.39 37.38 36.99 CaAl4Si2O10(OH)2 + Melanterite -20.84 -23.12 -2.28 FeSO4:7H2O Mercallite -13.97 -15.37 -1.40 KHSO4 - Merlinoite_K -3.83 5.66 9.49 K1.04Al1.04Si1.96O6:1.69H2O - Merlinoite_Na -4.40 5.90 10.30 Na1.04Al1.04Si1.96O6:2.27H2O - Mg(cr) -108.97 13.80 122.77 Mg + Merlinoite_K -3.81 5.66 9.47 K1.04Al1.04Si1.96O6:1.69H2O + Merlinoite_Na -4.39 5.90 10.29 Na1.04Al1.04Si1.96O6:2.27H2O + Mg(cr) -108.97 -29.19 79.78 Mg Mg(NO3)2(s) -29.87 -14.37 15.50 Mg(NO3)2 Mg(NO3)2:6H2O(s) -16.95 -14.37 2.58 Mg(NO3)2:6H2O Mg(SeO3):6H2O(s) -17.68 -23.50 -5.82 Mg(SeO3):6H2O @@ -1748,12 +1723,12 @@ Sr 2.259e-06 Mg5(CO3)4(OH)2:4H2O(s) -15.88 -26.19 -10.31 Mg5(CO3)4(OH)2:4H2O MgMoO4(s) -9.05 -9.69 -0.64 MgMoO4 Microcline 1.59 1.64 0.05 KAlSi3O8 - Minnesotaite -43.70 -28.77 14.93 Fe3Si4O10(OH)2 + Minnesotaite -39.50 -24.51 14.99 Fe3Si4O10(OH)2 Mirabilite -9.56 -10.79 -1.23 Na2SO4:10H2O - Mo(s) -125.68 -16.29 109.39 Mo - Mo3O8(s) -42.71 -63.28 -20.57 Mo3O8 + Mo(cr) -125.70 -145.28 -19.58 Mo + Mo3O8(s) -42.71 -106.27 -63.56 Mo3O8 Monocarboaluminate -23.41 46.89 70.30 (CaO)3Al2O3:CaCO3:10.68H2O - Monosulfate-Fe -27.50 38.55 66.05 Ca4Fe2(SO4)(OH)12:6H2O + Monosulfate-Fe -24.74 41.31 66.05 Ca4Fe2(SO4)(OH)12:6H2O Monosulfoaluminate -24.12 48.95 73.07 Ca4Al2(SO4)(OH)12:6H2O Montmorillonite-BCCa 1.35 5.55 4.20 Ca0.17Mg0.34Al1.66Si4O10(OH)2 Montmorillonite-BCK 1.89 4.70 2.81 K0.34Mg0.34Al1.66Si4O10(OH)2 @@ -1763,107 +1738,109 @@ Sr 2.259e-06 Montmorillonite-HCK 2.45 6.88 4.43 K0.6Mg0.6Al1.4Si4O10(OH)2 Montmorillonite-HCMg 2.03 8.01 5.98 Mg0.3Mg0.6Al1.4Si4O10(OH)2 Montmorillonite-HCNa 1.57 7.02 5.45 Na0.6Mg0.6Al1.4Si4O10(OH)2 - MoO2(s) -33.00 -19.89 13.11 MoO2 + MoO2(s) -33.01 -62.89 -29.88 MoO2 MoO3(s) -9.71 -21.69 -11.98 MoO3 Mordenite_Ca 0.77 -2.15 -2.92 Ca0.515Al1.03Si4.97O12:3.1H2O - Mordenite_Oregon -0.41 -4.57 -4.16 Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O - MoS2(s) -294.09 -321.01 -26.92 MoS2 - MoS3(s) -405.30 -473.37 -68.07 MoS3 - Muscovite 4.08 17.12 13.04 KAl3Si3O10(OH)2 - Na(cr) -62.13 5.25 67.38 Na + Mordenite_Oregon -0.39 -4.57 -4.18 Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O + MoS2(s) -294.14 -364.05 -69.91 MoS2 + MoS3(s) -405.36 -473.43 -68.07 MoS3 + Muscovite 4.10 17.12 13.02 KAl3Si3O10(OH)2 + N2(g) -21.89 -232.34 -210.45 N2 + Na(cr) -62.14 -16.25 45.89 Na Na(NO3)(s) -9.92 -8.83 1.09 Na(NO3) Na2(CO3)(cr) -13.97 -12.85 1.12 Na2(CO3) Na2CO3:7H2O(s) -12.39 -12.85 -0.46 Na2CO3:7H2O Na2O(cr) -58.76 8.70 67.46 Na2O Nahcolite -6.46 -17.20 -10.74 Na(HCO3) - Natrolite -5.37 13.96 19.33 Na2(Al2Si3)O10:2H2O + Natrolite -5.35 13.96 19.31 Na2(Al2Si3)O10:2H2O Natron -12.02 -12.85 -0.83 Na2(CO3):10H2O Nesquehonite -4.45 -9.55 -5.10 Mg(CO3):3H2O - Nontronite-Ca 2.04 -0.79 -2.83 Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 - Nontronite-K 2.36 -1.64 -4.00 K0.34Fe1.67Al0.67Si3.66O10(OH)2 - Nontronite-Mg 2.37 -1.00 -3.37 Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 - Nontronite-Na 1.93 -1.57 -3.50 Na0.34Fe1.67Al0.67Si3.66O10(OH)2 - Nontronite_Nau-2 1.65 3.00 1.35 Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 + Nontronite-Ca 4.37 1.51 -2.86 Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 + Nontronite-K 4.69 0.66 -4.03 K0.34Fe1.67Al0.67Si3.66O10(OH)2 + Nontronite-Mg 4.71 1.30 -3.41 Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 + Nontronite-Na 4.27 0.74 -3.53 Na0.34Fe1.67Al0.67Si3.66O10(OH)2 + Nontronite_Nau-2 4.03 5.33 1.30 Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 O2(g) -0.70 -3.60 -2.90 O2 Okenite -2.76 6.42 9.18 CaSi2O5:2H2O - Paragonite 0.55 17.35 16.80 NaAl3Si3O10(OH)2 + Paragonite 0.56 17.35 16.79 NaAl3Si3O10(OH)2 Pentahydrite -6.21 -7.49 -1.28 MgSO4:5H2O Periclase -9.58 12.00 21.58 MgO Phillipsite_Ca 1.82 4.14 2.32 Ca0.5AlSi3O8:3H2O Phillipsite_K 1.60 1.64 0.04 KAlSi3O8:3H2O Phillipsite_Na 0.42 1.87 1.45 NaAlSi3O8:3H2O - Phlogopite_K -3.46 37.64 41.10 KMg3Si3AlO10(OH)2 - Phlogopite_Na -6.33 37.87 44.20 NaMg3AlSi3O10(OH)2 + Phlogopite_K -3.44 37.64 41.08 KMg3Si3AlO10(OH)2 + Phlogopite_Na -6.31 37.87 44.18 NaMg3AlSi3O10(OH)2 Picromerite -14.41 -18.74 -4.33 K2Mg(SO4)2:6H2O Pirssonite -12.25 -21.16 -8.91 Na2Ca(CO3)2:2H2O Polyhalite -17.50 -31.24 -13.74 K2MgCa2(SO4)4:2H2O Portlandite -9.57 13.24 22.81 Ca(OH)2 - Pyrite -249.19 -307.97 -58.78 FeS2 - Pyrophyllite 2.27 1.85 -0.42 Al2Si4O10(OH)2 - Pyrrhotite -144.00 -155.18 -11.18 Fe0.87S + Pyrite -246.77 -263.59 -16.82 FeS2 + Pyrophyllite 2.29 1.85 -0.44 Al2Si4O10(OH)2 + Pyrrhotite -143.06 -148.38 -5.32 Fe0.87S Quartz 0.33 -3.41 -3.74 SiO2 - Ripidolite_Cca-2 -23.48 37.87 61.35 (Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 - S(cr) -107.23 -152.36 -45.13 S + Ripidolite_Cca-2 -20.75 40.60 61.35 (Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 + S(cr) -107.25 -109.39 -2.14 S Sanidine 1.06 1.64 0.58 KAlSi3O8 Saponite-Ca -0.93 28.41 29.34 Ca0.17Mg3Al0.34Si3.66O10(OH)2 - Saponite-FeCa -15.18 11.37 26.55 Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 - Saponite-FeK -14.86 10.52 25.38 K0.34Mg2FeAl0.34Si3.66O10(OH)2 - Saponite-FeMg -14.84 11.16 26.00 Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 - Saponite-FeNa -15.10 10.60 25.70 Na0.34Mg2FeAl0.34Si3.66O10(OH)2 + Saponite-FeCa -11.69 12.79 24.48 Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 + Saponite-FeK -13.46 11.94 25.40 K0.34Mg2FeAl0.34Si3.66O10(OH)2 + Saponite-FeMg -13.46 12.57 26.03 Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 + Saponite-FeNa -13.72 12.01 25.73 Na0.34Mg2FeAl0.34Si3.66O10(OH)2 Saponite-K -0.61 27.56 28.17 K0.34Mg3Al0.34Si3.66O10(OH)2 Saponite-Mg -0.59 28.20 28.79 Mg0.17Mg3Al0.34Si3.66O10(OH)2 Saponite-Na -1.03 27.64 28.67 Na0.34Mg3Al0.34Si3.66O10(OH)2 - Saponite_SapCa -2.88 28.59 31.47 (Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2 - Saponite_SapCa(4.151H2O) 0.29 28.59 28.30 (Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O - Sb(cr) -82.72 -29.91 52.81 Sb + Saponite_SapCa -2.79 28.66 31.45 (Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2 + Saponite_SapCa(4.151H2O) 0.39 28.66 28.27 (Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O + Sb(cr) -82.74 -94.41 -11.67 Sb Sb2O5(s) -18.92 -26.32 -7.40 Sb2O5 - Scolecite 1.85 18.50 16.65 CaAl2Si3O10:3H2O - Se(s) -56.73 -107.34 -50.61 Se + Schwertmannite(cr) 3.15 11.87 8.72 Fe8O8(OH)6SO4 + Scolecite 1.87 18.50 16.63 CaAl2Si3O10:3H2O + Se(s) -56.74 -64.36 -7.62 Se SeO3(cr) -42.71 -22.35 20.36 SeO3 - Si(cr) -148.98 0.19 149.17 Si - Siderite -15.79 -26.59 -10.80 Fe(CO3) - Siderophyllite -30.13 10.44 40.57 KFe2Al3Si2O10(OH)2 + Si(cr) -148.99 -85.80 63.19 Si + Siderite -14.50 -25.18 -10.68 Fe(CO3) + Siderophyllite -27.33 13.27 40.60 KFe2Al3Si2O10(OH)2 SiO2(am) -0.70 -3.41 -2.71 SiO2 - Smectite_MX80(3.989H2O) 4.71 6.49 1.78 (Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:3.989H2O - Smectite_MX80(5.189H2O) 5.05 6.49 1.44 (Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:5.189H2O - SmectiteMX80 1.22 6.49 5.27 Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.173Fe0.035)O10(OH)2 - SO2(g) -55.36 -64.30 -8.94 SO2 - Sr(cr) -129.49 12.29 141.78 Sr + Smectite 1.52 6.78 5.26 Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.173Fe0.035)O10(OH)2 + Smectite_MX80(3.989H2O) 5.03 6.78 1.75 (Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:3.989H2O + Smectite_MX80(5.189H2O) 5.37 6.78 1.41 (Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:5.189H2O + SO2(g) -55.37 -64.31 -8.94 SO2 + Sr(cr) -129.50 -30.71 98.79 Sr Sr(NO3)2(cr) -16.28 -15.88 0.40 Sr(NO3)2 Sr(NO3)2:2H2O(s) -15.93 -15.88 0.05 Sr(NO3)2:2H2O Sr(NO3)2:4H2O(s) -15.01 -15.88 -0.87 Sr(NO3)2:4H2O Sr(OH)2(s) -17.02 10.49 27.51 Sr(OH)2 Sr(OH)2:8H2O(s) -13.83 10.49 24.32 Sr(OH)2:8H2O - Sr(SeO3)(cr) -18.71 -25.01 -6.30 Sr(SeO3) + Sr(SeO3)(cr) -18.72 -25.02 -6.30 Sr(SeO3) Sr(SeO4)(s) -7.51 -11.86 -4.35 Sr(SeO4) Sr2SiO4(s) -25.69 17.56 43.25 Sr2SiO4 SrMoO4(s) -4.62 -11.21 -6.59 SrMoO4 SrO(cr) -31.49 10.49 41.98 SrO - SrS(s) -154.75 -140.07 14.68 SrS + SrS(s) -154.77 -140.09 14.68 SrS SrSiO3(s) -6.08 7.08 13.16 SrSiO3 - Stellerite 2.74 9.73 6.99 Ca2Al4Si14O36:14H2O - Stibnite -460.87 -516.90 -56.03 Sb2S3 - Stilbite 2.18 25.23 23.05 NaCa2(Al5Si13)O36:16H2O + Stellerite 2.81 9.73 6.92 Ca2Al4Si14O36:14H2O + Stibnite -460.94 -516.97 -56.03 Sb2S3 + Stilbite 2.26 25.23 22.97 NaCa2(Al5Si13)O36:16H2O Stratlingite -11.11 38.55 49.66 Ca2Al2SiO3(OH)8:4H2O Strontianite -1.79 -11.06 -9.27 Sr(CO3) - Sudoite 6.78 44.74 37.96 Mg2Al4Si3O10(OH)8 + Sudoite 6.81 44.74 37.93 Mg2Al4Si3O10(OH)8 Syngenite -10.05 -17.50 -7.45 K2Ca(SO4)2:6H2O - Talc -2.57 22.37 24.94 Mg3Si4O10(OH)2 + Talc -2.55 22.37 24.92 Mg3Si4O10(OH)2 + Thenardite -10.43 -10.79 -0.36 Na2SO4 Thermonatrite -13.33 -12.85 0.48 Na2(CO3):H2O - Thernardite -10.43 -10.79 -0.36 Na2SO4 Tobermorite-11A -19.83 45.75 65.58 Ca5Si6O16.5(OH):5H2O Tobermorite-14A -17.19 45.75 62.94 Ca5Si6O16.5(OH):10H2O - Troilite -150.30 -155.61 -5.31 FeS + Troilite -150.22 -154.21 -3.99 FeS Trona -18.67 -30.05 -11.38 Na3H(CO3)2:2H2O Truscottite -25.29 51.79 77.08 Ca7Si12O29(OH)4:H2O - Valentinite -56.74 -65.22 -8.48 Sb2O3 + Valentinite -56.75 -65.23 -8.48 Sb2O3 Vaterite -0.41 -8.31 -7.90 CaCO3 Vermiculite-Ca -1.90 37.65 39.55 Ca0.43Mg3Si3.14Al0.86O10(OH)2 Vermiculite-K -1.94 35.50 37.44 K0.86Mg3.00Si3.14Al0.86O10(OH)2 Vermiculite-Mg -0.92 37.12 38.04 Mg0.43Mg3Si3.14Al0.86O10(OH)2 Vermiculite-Na -2.69 35.70 38.39 Na0.86Mg3.00Si3.14Al0.86O10(OH)2 - Vermiculite_SO -8.22 37.69 45.91 (Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2 - Wairakite 0.65 15.09 14.44 CaAl2Si4O12:2H2O + Vermiculite_SO -7.84 38.04 45.88 (Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2 + Wairakite 0.67 15.09 14.42 CaAl2Si4O12:2H2O Xonotlite -32.35 58.99 91.34 Ca6Si6O17(OH)2 Zeolite_CaP -1.34 43.81 45.15 Ca2Al4Si4O16:9H2O diff --git a/mytest/sit_edl_101.sel b/mytest/sit_edl_101.sel index 0f6a3ad96..7cccb7218 100644 --- a/mytest/sit_edl_101.sel +++ b/mytest/sit_edl_101.sel @@ -1,5 +1,5 @@ Mu SC - 0.000376468862 0.0000000000 - 0.004849243827 0.0000000000 - 0.004849243821 0.0000000000 - 0.004849243819 0.0000000000 + 0.000376468899 0.0000000000 + 0.004849360036 0.0000000000 + 0.004849360037 0.0000000000 + 0.004849360036 0.0000000000 diff --git a/mytest/sit_redox.out b/mytest/sit_redox.out index 9105be9c9..f07899f51 100644 --- a/mytest/sit_redox.out +++ b/mytest/sit_redox.out @@ -1,4 +1,3 @@ -WARNING: Database file from DATABASE keyword is used; command line argument ignored. Input file: sit_redox Output file: sit_redox.out Database file: ../database/sit.dat @@ -74,33 +73,33 @@ Initial solution 2. High_SO4_high_sal Elements Molality Moles - C(4) 1.503e-03 1.503e-03 Equilibrium with Calcite - Ca 3.027e-02 3.027e-02 Equilibrium with Gypsum - Cl 4.997e-01 4.997e-01 Charge balance + C(4) 1.506e-03 1.506e-03 Equilibrium with Calcite + Ca 3.017e-02 3.017e-02 Equilibrium with Gypsum + Cl 4.983e-01 4.983e-01 Charge balance K 1.998e-03 1.998e-03 - Mg 2.368e-02 2.368e-02 Equilibrium with Dolomite + Mg 2.306e-02 2.306e-02 Equilibrium with Dolomite Na 4.660e-01 4.660e-01 S 3.774e-02 3.774e-02 Si 1.767e-04 1.767e-04 Equilibrium with Quartz - Sr 3.703e-04 3.703e-04 Equilibrium with Celestite + Sr 3.689e-04 3.689e-04 Equilibrium with Celestite ----------------------------Description of solution---------------------------- pH = 7.250 pe = 4.000 Activity of water = 0.983 - Ionic strength (mol/kgw) = 6.267e-01 + Ionic strength (mol/kgw) = 6.251e-01 Mass of water (kg) = 1.000e+00 - Total alkalinity (eq/kg) = 1.426e-03 - Total CO2 (mol/kg) = 1.503e-03 + Total alkalinity (eq/kg) = 1.429e-03 + Total CO2 (mol/kg) = 1.506e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.145e-13 + Electrical balance (eq) = 4.594e-13 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 35 + Iterations = 38 Gamma iterations = 11 - Osmotic coefficient = 0.90937 - Total H = 1.110219e+02 - Total O = 5.566599e+01 + Osmotic coefficient = 0.90933 + Total H = 1.110195e+02 + Total O = 5.566477e+01 ----------------------------Distribution of species---------------------------- @@ -108,128 +107,115 @@ Initial solution 2. High_SO4_high_sal Species Molality Activity Molality Activity Gamma cm³/mol OH- 2.561e-07 1.748e-07 -6.592 -6.757 -0.166 (0) - H+ 7.501e-08 5.623e-08 -7.125 -7.250 -0.125 0.00 + H+ 7.502e-08 5.623e-08 -7.125 -7.250 -0.125 0.00 H2O 5.551e+01 9.830e-01 1.744 -0.007 0.000 18.07 -C(4) 1.503e-03 - HCO3- 1.137e-03 7.430e-04 -2.944 -3.129 -0.185 (0) - Na(HCO3) 1.306e-04 1.306e-04 -3.884 -3.884 0.000 (0) - CO2 9.516e-05 9.516e-05 -4.022 -4.022 0.000 (0) - Ca(HCO3)+ 7.667e-05 5.013e-05 -4.115 -4.300 -0.185 (0) - Mg(HCO3)+ 4.619e-05 3.020e-05 -4.335 -4.520 -0.185 (0) - Na(CO3)- 5.503e-06 3.598e-06 -5.259 -5.444 -0.185 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - CO3-2 3.686e-06 6.180e-07 -5.433 -6.209 -0.776 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Sr(HCO3)+ 8.704e-07 5.690e-07 -6.060 -6.245 -0.185 (0) +C(4) 1.506e-03 + HCO3- 1.140e-03 7.455e-04 -2.943 -3.128 -0.184 (0) + Na(HCO3) 1.311e-04 1.311e-04 -3.882 -3.882 0.000 (0) + CO2 9.548e-05 9.548e-05 -4.020 -4.020 0.000 (0) + Ca(HCO3)+ 7.664e-05 5.012e-05 -4.116 -4.300 -0.184 (0) + Mg(HCO3)+ 4.513e-05 2.951e-05 -4.346 -4.530 -0.184 (0) + Na(CO3)- 5.520e-06 3.610e-06 -5.258 -5.442 -0.184 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + CO3-2 3.695e-06 6.201e-07 -5.432 -6.208 -0.775 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Sr(HCO3)+ 8.701e-07 5.690e-07 -6.060 -6.245 -0.184 (0) Sr(CO3) 2.019e-08 2.019e-08 -7.695 -7.695 0.000 (0) - CO 2.546e-32 2.546e-32 -31.594 -31.594 0.000 (0) -Ca 3.027e-02 - Ca+2 2.500e-02 5.358e-03 -1.602 -2.271 -0.669 (0) + CO 2.555e-32 2.555e-32 -31.593 -31.593 0.000 (0) +Ca 3.017e-02 + Ca+2 2.490e-02 5.340e-03 -1.604 -2.272 -0.669 (0) Ca(SO4) 5.187e-03 5.187e-03 -2.285 -2.285 0.000 (0) - Ca(HCO3)+ 7.667e-05 5.013e-05 -4.115 -4.300 -0.185 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - Ca(H3SiO4)+ 3.790e-08 2.478e-08 -7.421 -7.606 -0.185 (0) - Ca(OH)+ 2.378e-08 1.554e-08 -7.624 -7.808 -0.185 (0) - Ca(S2O3) 0.000e+00 0.000e+00 -70.922 -70.922 0.000 (0) -Cl 4.997e-01 - Cl- 4.954e-01 3.396e-01 -0.305 -0.469 -0.164 (0) - MgCl+ 4.310e-03 2.818e-03 -2.366 -2.550 -0.185 (0) - SrCl+ 4.463e-05 2.918e-05 -4.350 -4.535 -0.185 (0) - HCl 3.723e-09 3.723e-09 -8.429 -8.429 0.000 (0) - Cl2 0.000e+00 0.000e+00 -40.148 -40.148 0.000 (0) - ClO4- 0.000e+00 0.000e+00 -98.421 -98.589 -0.168 (0) + Ca(HCO3)+ 7.664e-05 5.012e-05 -4.116 -4.300 -0.184 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + Ca(H3SiO4)+ 3.777e-08 2.470e-08 -7.423 -7.607 -0.184 (0) + Ca(OH)+ 2.369e-08 1.549e-08 -7.625 -7.810 -0.184 (0) + Ca(S2O3) 0.000e+00 0.000e+00 -71.461 -71.461 0.000 (0) +Cl 4.983e-01 + Cl- 4.941e-01 3.387e-01 -0.306 -0.470 -0.164 (0) + MgCl+ 4.186e-03 2.737e-03 -2.378 -2.563 -0.184 (0) + SrCl+ 4.435e-05 2.900e-05 -4.353 -4.538 -0.184 (0) + Cl2 0.000e+00 0.000e+00 -40.150 -40.150 0.000 (0) + ClO4- 0.000e+00 0.000e+00 -98.122 -98.290 -0.168 (0) H(0) 5.261e-26 - H2 2.631e-26 2.631e-26 -25.580 -25.580 0.000 (0) + H2 2.630e-26 2.630e-26 -25.580 -25.580 0.000 (0) K 1.998e-03 - K+ 1.998e-03 1.306e-03 -2.700 -2.884 -0.185 (0) -Mg 2.368e-02 - Mg+2 1.634e-02 3.707e-03 -1.787 -2.431 -0.644 (0) - MgCl+ 4.310e-03 2.818e-03 -2.366 -2.550 -0.185 (0) - Mg(SO4) 2.984e-03 2.984e-03 -2.525 -2.525 0.000 (0) - Mg(HCO3)+ 4.619e-05 3.020e-05 -4.335 -4.520 -0.185 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Mg(OH)+ 2.070e-07 1.354e-07 -6.684 -6.869 -0.185 (0) - Mg(H3SiO4)+ 4.662e-08 3.048e-08 -7.331 -7.516 -0.185 (0) - Mg4(OH)4+4 2.814e-18 3.133e-21 -17.551 -20.504 -2.953 (0) - Mg(S2O3) 0.000e+00 0.000e+00 -71.162 -71.162 0.000 (0) + K+ 1.998e-03 1.306e-03 -2.700 -2.884 -0.184 (0) +Mg 2.306e-02 + Mg+2 1.591e-02 3.610e-03 -1.798 -2.442 -0.644 (0) + MgCl+ 4.186e-03 2.737e-03 -2.378 -2.563 -0.184 (0) + Mg(SO4) 2.917e-03 2.917e-03 -2.535 -2.535 0.000 (0) + Mg(HCO3)+ 4.513e-05 2.951e-05 -4.346 -4.530 -0.184 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Mg(OH)+ 2.016e-07 1.319e-07 -6.695 -6.880 -0.184 (0) + Mg(H3SiO4)+ 4.541e-08 2.969e-08 -7.343 -7.527 -0.184 (0) + Mg4(OH)4+4 2.523e-18 2.821e-21 -17.598 -20.550 -2.951 (0) + Mg(S2O3) 0.000e+00 0.000e+00 -71.161 -71.161 0.000 (0) Na 4.660e-01 - Na+ 4.659e-01 3.126e-01 -0.332 -0.505 -0.173 (0) - Na(HCO3) 1.306e-04 1.306e-04 -3.884 -3.884 0.000 (0) - Na(CO3)- 5.503e-06 3.598e-06 -5.259 -5.444 -0.185 (0) - Na(S2O3)- 0.000e+00 0.000e+00 -70.262 -70.446 -0.185 (0) -O(0) -2.546e-32 - CO 2.546e-32 2.546e-32 -31.594 -31.594 0.000 (0) - Cl2 0.000e+00 0.000e+00 -40.148 -40.148 0.000 (0) - O2 0.000e+00 0.000e+00 -40.995 -40.995 0.000 (0) - HSO5- 0.000e+00 0.000e+00 -47.107 -47.292 -0.185 (0) - S2O8-2 0.000e+00 0.000e+00 -61.290 -62.028 -0.738 (0) - ClO4- 0.000e+00 0.000e+00 -98.421 -98.589 -0.168 (0) - S3O6-2 0.000e+00 0.000e+00 -99.230 -99.968 -0.738 (0) - S2-2 0.000e+00 0.000e+00 -119.011 -119.749 -0.738 (0) - S4O6-2 0.000e+00 0.000e+00 -133.165 -133.903 -0.738 (0) - S3-2 0.000e+00 0.000e+00 -165.585 -166.324 -0.738 (0) - S5O6-2 0.000e+00 0.000e+00 -196.499 -197.238 -0.738 (0) - S4-2 0.000e+00 0.000e+00 -213.260 -213.998 -0.738 (0) - S5-2 0.000e+00 0.000e+00 -261.155 -261.893 -0.738 (0) + Na+ 4.659e-01 3.127e-01 -0.332 -0.505 -0.173 (0) + Na(HCO3) 1.311e-04 1.311e-04 -3.882 -3.882 0.000 (0) + Na(CO3)- 5.520e-06 3.610e-06 -5.258 -5.442 -0.184 (0) + Na(S2O3)- 0.000e+00 0.000e+00 -70.249 -70.433 -0.184 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -41.005 -41.005 0.000 (0) S(-2) 0.000e+00 - HS- 0.000e+00 0.000e+00 -65.670 -65.855 -0.185 (0) - H2S 0.000e+00 0.000e+00 -66.115 -66.115 0.000 (0) - S-2 0.000e+00 0.000e+00 -74.966 -75.705 -0.738 (0) - S2-2 0.000e+00 0.000e+00 -119.011 -119.749 -0.738 (0) - S3-2 0.000e+00 0.000e+00 -165.585 -166.324 -0.738 (0) - S4-2 0.000e+00 0.000e+00 -213.260 -213.998 -0.738 (0) - S5-2 0.000e+00 0.000e+00 -261.155 -261.893 -0.738 (0) + HS- 0.000e+00 0.000e+00 -65.668 -65.853 -0.184 (0) + H2S 0.000e+00 0.000e+00 -66.113 -66.113 0.000 (0) + S-2 0.000e+00 0.000e+00 -74.965 -75.703 -0.738 (0) + S2-2 0.000e+00 0.000e+00 -119.008 -119.746 -0.738 (0) + S3-2 0.000e+00 0.000e+00 -165.581 -166.319 -0.738 (0) + S4-2 0.000e+00 0.000e+00 -213.254 -213.992 -0.738 (0) + S5-2 0.000e+00 0.000e+00 -261.147 -261.884 -0.738 (0) S(2) 0.000e+00 - S2O3-2 0.000e+00 0.000e+00 -69.813 -70.551 -0.738 (0) - Na(S2O3)- 0.000e+00 0.000e+00 -70.262 -70.446 -0.185 (0) - Ca(S2O3) 0.000e+00 0.000e+00 -70.922 -70.922 0.000 (0) - Mg(S2O3) 0.000e+00 0.000e+00 -71.162 -71.162 0.000 (0) - Sr(S2O3) 0.000e+00 0.000e+00 -72.807 -72.807 0.000 (0) - H(S2O3)- 0.000e+00 0.000e+00 -75.897 -76.081 -0.185 (0) - H2(S2O3) 0.000e+00 0.000e+00 -82.731 -82.731 0.000 (0) + S2O3-2 0.000e+00 0.000e+00 -69.800 -70.538 -0.738 (0) + Na(S2O3)- 0.000e+00 0.000e+00 -70.249 -70.433 -0.184 (0) + Mg(S2O3) 0.000e+00 0.000e+00 -71.161 -71.161 0.000 (0) + Ca(S2O3) 0.000e+00 0.000e+00 -71.461 -71.461 0.000 (0) + Sr(S2O3) 0.000e+00 0.000e+00 -72.795 -72.795 0.000 (0) + H(S2O3)- 0.000e+00 0.000e+00 -75.884 -76.068 -0.184 (0) + H2(S2O3) 0.000e+00 0.000e+00 -82.718 -82.718 0.000 (0) S(3) 0.000e+00 - S2O4-2 0.000e+00 0.000e+00 -75.180 -75.918 -0.738 (0) - HS2O4- 0.000e+00 0.000e+00 -80.484 -80.668 -0.185 (0) - H2S2O4 0.000e+00 0.000e+00 -87.618 -87.618 0.000 (0) -S(4) 2.647e-28 - SO3-2 2.181e-28 3.657e-29 -27.661 -28.437 -0.776 (0) - H(SO3)- 4.653e-29 3.042e-29 -28.332 -28.517 -0.185 (0) - SO2 1.261e-34 1.261e-34 -33.899 -33.899 0.000 (0) - H2(SO3) 1.239e-34 1.239e-34 -33.907 -33.907 0.000 (0) - S2O5-2 0.000e+00 0.000e+00 -57.778 -58.516 -0.738 (0) - S3O6-2 0.000e+00 0.000e+00 -99.230 -99.968 -0.738 (0) - S4O6-2 0.000e+00 0.000e+00 -133.165 -133.903 -0.738 (0) - S5O6-2 0.000e+00 0.000e+00 -196.499 -197.238 -0.738 (0) + S2O4-2 0.000e+00 0.000e+00 -75.178 -75.916 -0.738 (0) + HS2O4- 0.000e+00 0.000e+00 -80.481 -80.666 -0.184 (0) + H2S2O4 0.000e+00 0.000e+00 -87.616 -87.616 0.000 (0) +S(4) 2.654e-28 + SO3-2 2.187e-28 3.671e-29 -27.660 -28.435 -0.775 (0) + H(SO3)- 4.669e-29 3.053e-29 -28.331 -28.515 -0.184 (0) + SO2 1.265e-34 1.265e-34 -33.898 -33.898 0.000 (0) + H2(SO3) 1.244e-34 1.244e-34 -33.905 -33.905 0.000 (0) + S2O5-2 0.000e+00 0.000e+00 -57.775 -58.513 -0.738 (0) + S3O6-2 0.000e+00 0.000e+00 -99.225 -99.963 -0.738 (0) + S4O6-2 0.000e+00 0.000e+00 -133.158 -133.896 -0.738 (0) + S5O6-2 0.000e+00 0.000e+00 -196.481 -197.219 -0.738 (0) S(6) 3.774e-02 - SO4-2 2.952e-02 4.741e-03 -1.530 -2.324 -0.794 (0) + SO4-2 2.959e-02 4.757e-03 -1.529 -2.323 -0.794 (0) Ca(SO4) 5.187e-03 5.187e-03 -2.285 -2.285 0.000 (0) - Mg(SO4) 2.984e-03 2.984e-03 -2.525 -2.525 0.000 (0) + Mg(SO4) 2.917e-03 2.917e-03 -2.535 -2.535 0.000 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - H(SO4)- 3.937e-08 2.546e-08 -7.405 -7.594 -0.189 (0) - HSO5- 0.000e+00 0.000e+00 -47.107 -47.292 -0.185 (0) - S2O8-2 0.000e+00 0.000e+00 -61.290 -62.028 -0.738 (0) + H(SO4)- 3.949e-08 2.555e-08 -7.404 -7.593 -0.189 (0) + HSO5- 0.000e+00 0.000e+00 -47.106 -47.290 -0.184 (0) + S2O8-2 0.000e+00 0.000e+00 -61.287 -62.025 -0.738 (0) Si 1.767e-04 H4(SiO4) 1.758e-04 1.758e-04 -3.755 -3.755 0.000 (0) - H3(SiO4)- 7.532e-07 4.519e-07 -6.123 -6.345 -0.222 (0) - Mg(H3SiO4)+ 4.662e-08 3.048e-08 -7.331 -7.516 -0.185 (0) - Ca(H3SiO4)+ 3.790e-08 2.478e-08 -7.421 -7.606 -0.185 (0) - Si2O2(OH)5- 2.947e-09 1.768e-09 -8.531 -8.752 -0.222 (0) - Si2O3(OH)4-2 2.546e-12 3.959e-13 -11.594 -12.402 -0.808 (0) - H2(SiO4)-2 2.454e-12 4.028e-13 -11.610 -12.395 -0.785 (0) - Si4O6(OH)6-2 4.451e-16 8.130e-17 -15.352 -16.090 -0.738 (0) - Si3O6(OH)3-3 9.666e-18 1.613e-19 -17.015 -18.792 -1.778 (0) - Si3O5(OH)5-3 7.547e-18 1.259e-19 -17.122 -18.900 -1.778 (0) - Si4O8(OH)4-4 7.665e-23 6.458e-26 -22.116 -25.190 -3.074 (0) - Si4O7(OH)6-4 7.176e-23 7.992e-26 -22.144 -25.097 -2.953 (0) - Si6O15-6 7.627e-35 0.000e+00 -34.118 -40.762 -6.645 (0) -Sr 3.703e-04 - Sr+2 2.770e-04 5.059e-05 -3.558 -4.296 -0.738 (0) + H3(SiO4)- 7.531e-07 4.520e-07 -6.123 -6.345 -0.222 (0) + Mg(H3SiO4)+ 4.541e-08 2.969e-08 -7.343 -7.527 -0.184 (0) + Ca(H3SiO4)+ 3.777e-08 2.470e-08 -7.423 -7.607 -0.184 (0) + Si2O2(OH)5- 2.947e-09 1.769e-09 -8.531 -8.752 -0.222 (0) + Si2O3(OH)4-2 2.543e-12 3.960e-13 -11.595 -12.402 -0.808 (0) + H2(SiO4)-2 2.452e-12 4.028e-13 -11.610 -12.395 -0.784 (0) + Si4O6(OH)6-2 4.447e-16 8.132e-17 -15.352 -16.090 -0.738 (0) + Si3O6(OH)3-3 9.646e-18 1.613e-19 -17.016 -18.792 -1.777 (0) + Si3O5(OH)5-3 7.532e-18 1.260e-19 -17.123 -18.900 -1.777 (0) + Si4O8(OH)4-4 7.635e-23 6.460e-26 -22.117 -25.190 -3.073 (0) + Si4O7(OH)6-4 7.149e-23 7.994e-26 -22.146 -25.097 -2.951 (0) + Si6O15-6 7.560e-35 0.000e+00 -34.121 -40.762 -6.641 (0) +Sr 3.689e-04 + Sr+2 2.758e-04 5.043e-05 -3.559 -4.297 -0.738 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - SrCl+ 4.463e-05 2.918e-05 -4.350 -4.535 -0.185 (0) - Sr(HCO3)+ 8.704e-07 5.690e-07 -6.060 -6.245 -0.185 (0) + SrCl+ 4.435e-05 2.900e-05 -4.353 -4.538 -0.184 (0) + Sr(HCO3)+ 8.701e-07 5.690e-07 -6.060 -6.245 -0.184 (0) Sr(CO3) 2.019e-08 2.019e-08 -7.695 -7.695 0.000 (0) - Sr(OH)+ 6.938e-11 4.536e-11 -10.159 -10.343 -0.185 (0) - Sr(S2O3) 0.000e+00 0.000e+00 -72.807 -72.807 0.000 (0) + Sr(OH)+ 6.913e-11 4.521e-11 -10.160 -10.345 -0.184 (0) + Sr(S2O3) 0.000e+00 0.000e+00 -72.795 -72.795 0.000 (0) ------------------------------Saturation indices------------------------------- @@ -237,126 +223,126 @@ Sr 3.703e-04 Afwillite -20.26 29.16 49.42 Ca3Si2O4(OH)6 Anhydrite -0.16 -4.60 -4.44 Ca(SO4) - Antarcticite -7.19 -3.25 3.94 CaCl2:6H2O - Antigorite -48.60 451.56 500.16 Mg48Si34O85(OH)62 + Antarcticite -7.20 -3.26 3.94 CaCl2:6H2O + Antigorite -48.88 451.01 499.89 Mg48Si34O85(OH)62 Aragonite -0.17 -8.48 -8.31 CaCO3 Arcanite -6.24 -8.09 -1.85 K2SO4 - Artinite -6.42 3.39 9.81 Mg2(CO3)(OH)2:3H2O + Artinite -6.44 3.37 9.81 Mg2(CO3)(OH)2:3H2O Bassanite -0.68 -4.60 -3.92 CaSO4:0.5H2O - Bischofite -7.87 -3.41 4.46 MgCl2:6H2O - Bloedite -5.77 -8.12 -2.35 Na2Mg(SO4)2:4H2O - Brucite -5.05 12.05 17.10 Mg(OH)2 - Burkeite -13.12 -13.89 -0.77 Na6(CO3)(SO4)2 - C(cr) -33.54 20.29 53.83 C - C2SH(alpha) -14.84 20.70 35.54 Ca2(HSiO4)(OH) - Ca(s) -107.12 32.72 139.84 Ca + Bischofite -7.89 -3.43 4.46 MgCl2:6H2O + Bloedite -5.78 -8.13 -2.35 Na2Mg(SO4)2:4H2O + Brucite -5.06 12.04 17.10 Mg(OH)2 + Burkeite -13.11 -13.88 -0.77 Na6(CO3)(SO4)2 + C(cr) -33.54 -65.69 -32.15 C + C2SH(alpha) -14.85 20.69 35.54 Ca2(HSiO4)(OH) + Ca(cr) -107.12 -10.27 96.85 Ca Ca(SO3)(s) -24.21 -30.71 -6.50 Ca(SO3) - Ca2Cl2(OH)2:H2O(s) -17.53 9.00 26.53 Ca2Cl2(OH)2:H2O - Ca4Cl2(OH)6:13H2O(s) -35.39 33.34 68.73 Ca4Cl2(OH)6:13H2O - CaCl2:2H2O(cr) -11.17 -3.22 7.95 CaCl2:2H2O + Ca2Cl2(OH)2:H2O(s) -17.54 8.99 26.53 Ca2Cl2(OH)2:H2O + Ca4Cl2(OH)6:13H2O(s) -35.40 33.33 68.73 Ca4Cl2(OH)6:13H2O + CaCl2:2H2O(cr) -11.18 -3.23 7.95 CaCl2:2H2O CaCl2:4H2O(cr) -8.59 -3.24 5.35 CaCl2:4H2O CaCl2:H2O(s) -11.07 -3.22 7.85 CaCl2:H2O CaCO3:H2O(s) -0.89 -8.49 -7.60 CaCO3:H2O Calcite 0.00 -8.48 -8.48 CaCO3 - CaMg3(CO3)4(s) -3.59 -34.40 -30.81 CaMg3(CO3)4 + CaMg3(CO3)4(s) -3.62 -34.43 -30.81 CaMg3(CO3)4 CaO(cr) -20.48 12.22 32.70 CaO - Carnallite -11.10 -6.77 4.33 KMgCl3:6H2O + Carnallite -11.11 -6.78 4.33 KMgCl3:6H2O Celestite 0.00 -6.62 -6.62 Sr(SO4) - CH4(g) -69.64 61.27 130.91 CH4 - Cl2(g) -38.92 -35.93 2.99 Cl2 - CO(g) -28.55 -0.20 28.35 CO + CH4(g) -69.64 -110.69 -41.05 CH4 + Cl2(g) -38.92 7.06 45.98 Cl2 + CO(g) -28.55 -43.19 -14.64 CO CO2(g) -2.55 -20.70 -18.15 CO2 Cristobalite -0.58 -3.74 -3.16 SiO2 - CSH0.8 -5.02 6.03 11.05 Ca0.8SiO2.8:1.54H2O + CSH0.8 -5.03 6.02 11.05 Ca0.8SiO2.8:1.54H2O CSH1.2 -8.39 10.91 19.30 Ca1.2SiO3.2:2.06H2O - CSH1.6 -12.20 15.80 28.00 Ca1.6SiO3.6:2.58H2O - Dolomite 0.00 -17.12 -17.12 CaMg(CO3)2 - Epsonite -2.93 -4.81 -1.88 Mg(SO4):7H2O - Foshagite -28.30 37.66 65.96 Ca4Si3O9(OH)2:0.5H2O - Gaylussite -6.31 -15.74 -9.43 CaNa2(CO3)2:5H2O - Glaserite -20.00 -27.61 -7.61 Na2K6(SO4)4 + CSH1.6 -12.21 15.79 28.00 Ca1.6SiO3.6:2.58H2O + Dolomite 0.00 -17.13 -17.13 CaMg(CO3)2 + Epsonite -2.94 -4.82 -1.88 Mg(SO4):7H2O + Foshagite -28.31 37.65 65.96 Ca4Si3O9(OH)2:0.5H2O + Gaylussite -6.30 -15.73 -9.43 CaNa2(CO3)2:5H2O + Glaserite -19.99 -27.60 -7.61 Na2K6(SO4)4 Glauberite -9.90 -7.93 1.97 Na2Ca(SO4)2 Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O Gyrolite -9.14 13.20 22.34 Ca2Si3O7.5(OH):2H2O - H2(g) -22.50 20.49 42.99 H2 - H2O(g) -1.51 -0.01 1.50 H2O + H2(g) -22.50 -22.50 0.00 H2 + H2O(g) -1.50 -43.00 -41.50 H2O H2S(g) -65.10 -73.10 -8.00 H2S - Halite -2.56 -0.97 1.59 NaCl + Halite -2.57 -0.98 1.59 NaCl HCl(g) -14.01 -7.72 6.29 HCl - Hexahydrite -3.16 -4.80 -1.64 Mg(SO4):6H2O + Hexahydrite -3.17 -4.81 -1.64 Mg(SO4):6H2O Hillebrandite -16.26 20.69 36.95 Ca2SiO3(OH)2:0.17H2O Hydrophilite -14.98 -3.21 11.77 CaCl2 - Jaffeite -48.23 65.83 114.06 Ca6(Si2O7)(OH)6 - Jennite -59.86 87.47 147.33 Ca9Si6O16(OH)10:6(H2O) - K(cr) -56.37 14.61 70.99 K + Jaffeite -48.24 65.82 114.06 Ca6(Si2O7)(OH)6 + Jennite -59.87 87.46 147.33 Ca9Si6O16(OH)10:6H2O + K(cr) -56.37 -6.88 49.49 K K(OH)(s) -20.24 4.36 24.60 K(OH) K-carbonate -15.02 -11.99 3.03 K2CO3:1.5H2O - K-trona -16.86 -25.96 -9.10 K2NaH(CO3)2:2H2O + K-trona -16.85 -25.95 -9.10 K2NaH(CO3)2:2H2O K2CO3(cr) -17.39 -11.98 5.41 K2CO3 K2O(s) -75.39 8.72 84.11 K2O - Kainite -7.94 -8.13 -0.19 KMgCl(SO4):3H2O + Kainite -7.95 -8.14 -0.19 KMgCl(SO4):3H2O Kalicinite -6.28 -16.34 -10.06 KHCO3 - Lansfordite -3.64 -8.68 -5.04 Mg(CO3):5H2O - Leonhardtite -3.89 -4.78 -0.89 MgSO4:4H2O - Leonite -8.90 -12.88 -3.98 K2Mg(SO4)2:4H2O - Lizardite -4.41 28.69 33.10 Mg3Si2O5(OH)4 - Magnesite(nat) 0.27 -8.64 -8.91 MgCO3 - Magnesite(syn) -0.54 -8.64 -8.10 Mg(CO3) + Lansfordite -3.65 -8.69 -5.04 Mg(CO3):5H2O + Leonhardtite -3.90 -4.79 -0.89 MgSO4:4H2O + Leonite -8.91 -12.89 -3.98 K2Mg(SO4)2:4H2O + Lizardite -4.42 28.66 33.08 Mg3Si2O5(OH)4 + Magnesite(nat) 0.26 -8.65 -8.91 MgCO3 + Magnesite(syn) -0.55 -8.65 -8.10 Mg(CO3) Mercallite -11.06 -12.46 -1.40 KHSO4 - Mg(cr) -90.21 32.56 122.77 Mg - Mg(SO4)(s) -13.86 -4.76 9.10 Mg(SO4) - Mg(SO4):H2O(s) -4.64 -4.76 -0.12 Mg(SO4):H2O - Mg-oxychlorur -9.66 16.37 26.03 Mg2Cl(OH)3:4H2O - Mg5(CO3)4(OH)2:4H2O(s) -12.23 -22.54 -10.31 Mg5(CO3)4(OH)2:4H2O - MgCl2(s) -25.40 -3.37 22.03 MgCl2 - MgCl2:2H2O(s) -16.28 -3.38 12.90 MgCl2:2H2O - MgCl2:4H2O(s) -10.84 -3.40 7.44 MgCl2:4H2O - MgCl2:H2O(s) -19.60 -3.38 16.22 MgCl2:H2O + Mg(cr) -90.22 -10.44 79.78 Mg + Mg(SO4)(s) -13.87 -4.77 9.10 Mg(SO4) + Mg(SO4):H2O(s) -4.65 -4.77 -0.12 Mg(SO4):H2O + Mg-oxychlorur -9.69 16.34 26.03 Mg2Cl(OH)3:4H2O + Mg5(CO3)4(OH)2:4H2O(s) -12.28 -22.59 -10.31 Mg5(CO3)4(OH)2:4H2O + MgCl2(s) -25.41 -3.38 22.03 MgCl2 + MgCl2:2H2O(s) -16.30 -3.40 12.90 MgCl2:2H2O + MgCl2:4H2O(s) -10.85 -3.41 7.44 MgCl2:4H2O + MgCl2:H2O(s) -19.61 -3.39 16.22 MgCl2:H2O Mirabilite -2.18 -3.41 -1.23 Na2SO4:10H2O - Na(cr) -50.39 16.99 67.38 Na + Na(cr) -50.39 -4.50 45.89 Na Na2(CO3)(cr) -8.34 -7.22 1.12 Na2(CO3) Na2CO3:7H2O(s) -6.81 -7.27 -0.46 Na2CO3:7H2O Na2O(cr) -53.98 13.48 67.46 Na2O Nahcolite -3.22 -13.96 -10.74 Na(HCO3) Natron -6.46 -7.29 -0.83 Na2(CO3):10H2O - Nesquehonite -3.56 -8.66 -5.10 Mg(CO3):3H2O - O2(g) -38.09 -40.99 -2.90 O2 + Nesquehonite -3.57 -8.67 -5.10 Mg(CO3):3H2O + O2(g) -38.10 -41.00 -2.90 O2 Okenite -4.45 4.73 9.18 CaSi2O5:2H2O - Pentahydrite -3.51 -4.79 -1.28 MgSO4:5H2O - Periclase -9.52 12.06 21.58 MgO - Picromerite -8.56 -12.89 -4.33 K2Mg(SO4)2:6H2O + Pentahydrite -3.52 -4.80 -1.28 MgSO4:5H2O + Periclase -9.53 12.05 21.58 MgO + Picromerite -8.57 -12.90 -4.33 K2Mg(SO4)2:6H2O Pirssonite -6.80 -15.71 -8.91 Na2Ca(CO3)2:2H2O - Polyhalite -8.31 -22.05 -13.74 K2MgCa2(SO4)4:2H2O + Polyhalite -8.32 -22.06 -13.74 K2MgCa2(SO4)4:2H2O Portlandite -10.60 12.21 22.81 Ca(OH)2 - Quartz 0.00 -3.74 -3.74 SiO2 - S(cr) -48.46 -93.59 -45.13 S - Si(cr) -111.92 37.25 149.17 Si + Quartz -0.00 -3.74 -3.74 SiO2 + S(cr) -48.46 -50.60 -2.14 S + Si(cr) -111.92 -48.73 63.19 Si SiO2(am) -1.03 -3.74 -2.71 SiO2 SO2(g) -33.99 -42.93 -8.94 SO2 - Sr(cr) -111.09 30.69 141.78 Sr + Sr(cr) -111.09 -12.30 98.79 Sr Sr(OH)2(s) -17.32 10.19 27.51 Sr(OH)2 Sr(OH)2:8H2O(s) -14.19 10.13 24.32 Sr(OH)2:8H2O Sr2SiO4(s) -26.60 16.65 43.25 Sr2SiO4 - SrCl2(s) -13.35 -5.23 8.12 SrCl2 + SrCl2(s) -13.36 -5.24 8.12 SrCl2 SrCl2:2H2O(s) -8.72 -5.25 3.47 SrCl2:2H2O SrCl2:6H2O(s) -6.89 -5.28 1.61 SrCl2:6H2O - SrCl2:H2O(s) -10.15 -5.24 4.91 SrCl2:H2O + SrCl2:H2O(s) -10.16 -5.25 4.91 SrCl2:H2O SrO(cr) -31.78 10.20 41.98 SrO SrS(s) -77.58 -62.90 14.68 SrS SrSiO3(s) -6.70 6.46 13.16 SrSiO3 Strontianite -1.23 -10.50 -9.27 Sr(CO3) Sylvite -4.22 -3.35 0.87 KCl Syngenite -5.28 -12.73 -7.45 K2Ca(SO4)2:6H2O - Tachyhydrite -27.42 -10.04 17.38 Mg2CaCl6:12H2O - Talc -3.72 21.22 24.94 Mg3Si4O10(OH)2 - Thermonatrite -7.71 -7.23 0.48 Na2(CO3):H2O - Thernardite -2.97 -3.33 -0.36 Na2SO4 - Tobermorite-11A -26.95 38.63 65.58 Ca5Si6O16.5(OH):5H2O - Tobermorite-14A -24.35 38.59 62.94 Ca5Si6O16.5(OH):10H2O - Trona -9.82 -21.20 -11.38 Na3H(CO3)2:2H2O - Truscottite -36.43 40.65 77.08 Ca7Si12O29(OH)4:H2O + Tachyhydrite -27.45 -10.07 17.38 Mg2CaCl6:12H2O + Talc -3.74 21.18 24.92 Mg3Si4O10(OH)2 + Thenardite -2.97 -3.33 -0.36 Na2SO4 + Thermonatrite -7.70 -7.22 0.48 Na2(CO3):H2O + Tobermorite-11A -26.96 38.62 65.58 Ca5Si6O16.5(OH):5H2O + Tobermorite-14A -24.36 38.58 62.94 Ca5Si6O16.5(OH):10H2O + Trona -9.81 -21.19 -11.38 Na3H(CO3)2:2H2O + Truscottite -36.44 40.64 77.08 Ca7Si12O29(OH)4:H2O Vaterite -0.58 -8.48 -7.90 CaCO3 - Xonotlite -40.46 50.88 91.34 Ca6Si6O17(OH)2 + Xonotlite -40.47 50.87 91.34 Ca6Si6O17(OH)2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -411,393 +397,378 @@ Reaction 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.000e+00 9.988e-01 -1.164e-03 -Celestite 0.00 -6.62 -6.62 1.000e+00 1.000e+00 9.198e-06 -Dolomite 0.00 -17.12 -17.12 1.000e+00 1.001e+00 6.809e-04 -Gypsum 0.00 -4.61 -4.61 0.000e+00 1.576e-03 1.576e-03 -Pyrite 0.00 -58.78 -58.78 1.000e+00 1.000e+00 -1.200e-10 -Quartz 0.00 -3.74 -3.74 1.000e+00 1.000e+00 9.910e-06 -Siderite 0.00 -10.80 -10.80 1.000e+00 9.998e-01 -2.014e-04 +Calcite 0.00 -8.48 -8.48 1.000e+00 9.989e-01 -1.062e-03 +Celestite -0.00 -6.62 -6.62 1.000e+00 1.000e+00 9.767e-06 +Dolomite 0.00 -17.13 -17.13 1.000e+00 1.001e+00 7.001e-04 +Gypsum 0.00 -4.61 -4.61 0.000e+00 1.497e-03 1.497e-03 +Pyrite 0.00 -16.82 -16.82 1.000e+00 1.000e+00 8.136e-11 +Quartz -0.00 -3.74 -3.74 1.000e+00 1.000e+00 9.910e-06 +Siderite 0.00 -10.68 -10.68 1.000e+00 9.997e-01 -3.381e-04 -----------------------------Solution composition------------------------------ Elements Molality Moles C 1.592e-03 1.506e-03 - Ca 3.085e-02 2.918e-02 - Cl 5.283e-01 4.997e-01 - Fe 2.129e-04 2.014e-04 + Ca 3.070e-02 2.904e-02 + Cl 5.268e-01 4.983e-01 + Fe 3.574e-04 3.381e-04 K 2.112e-03 1.998e-03 - Mg 2.431e-02 2.300e-02 + Mg 2.363e-02 2.236e-02 Na 4.927e-01 4.660e-01 - S 3.822e-02 3.615e-02 + S 3.830e-02 3.623e-02 Si 1.763e-04 1.668e-04 - Sr 3.818e-04 3.611e-04 + Sr 3.796e-04 3.591e-04 ----------------------------Description of solution---------------------------- - pH = 7.227 Charge balance - pe = -2.975 Adjusted to redox equilibrium + pH = 7.228 Charge balance + pe = -2.893 Adjusted to redox equilibrium Activity of water = 0.982 - Ionic strength (mol/kgw) = 6.573e-01 + Ionic strength (mol/kgw) = 6.556e-01 Mass of water (kg) = 9.459e-01 - Total alkalinity (eq/kg) = 1.514e-03 + Total alkalinity (eq/kg) = 1.510e-03 Total CO2 (mol/kg) = 1.592e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 4.408e-13 + Electrical balance (eq) = 5.049e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 24 + Iterations = 22 Gamma iterations = 8 - Osmotic coefficient = 0.91064 - Total H = 1.050156e+02 - Total O = 5.265649e+01 + Osmotic coefficient = 0.91063 + Total H = 1.050135e+02 + Total O = 5.265573e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 2.434e-07 1.657e-07 -6.614 -6.781 -0.167 (0) - H+ 7.879e-08 5.925e-08 -7.104 -7.227 -0.124 0.00 - H2O 5.551e+01 9.820e-01 1.744 -0.008 0.000 18.07 -C(-4) 3.347e-17 - CH4 3.347e-17 3.347e-17 -16.475 -16.475 0.000 (0) + OH- 2.436e-07 1.659e-07 -6.613 -6.780 -0.167 (0) + H+ 7.872e-08 5.919e-08 -7.104 -7.228 -0.124 0.00 + H2O 5.551e+01 9.821e-01 1.744 -0.008 0.000 18.07 +C(-4) 4.053e-18 + CH4 4.053e-18 4.053e-18 -17.392 -17.392 0.000 (0) + CH3- 0.000e+00 0.000e+00 -55.978 -56.164 -0.186 (0) C(4) 1.592e-03 - HCO3- 1.188e-03 7.730e-04 -2.925 -3.112 -0.187 (0) - Na(HCO3) 1.433e-04 1.433e-04 -3.844 -3.844 0.000 (0) - CO2 1.044e-04 1.044e-04 -3.981 -3.981 0.000 (0) - Ca(HCO3)+ 8.116e-05 5.282e-05 -4.091 -4.277 -0.187 (0) - Mg(HCO3)+ 4.890e-05 3.182e-05 -4.311 -4.497 -0.187 (0) - Fe(CO3) 7.763e-06 7.763e-06 -5.110 -5.110 0.000 (0) - Na(CO3)- 5.755e-06 3.745e-06 -5.240 -5.427 -0.187 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - CO3-2 3.726e-06 6.102e-07 -5.429 -6.215 -0.786 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Sr(HCO3)+ 9.196e-07 5.984e-07 -6.036 -6.223 -0.187 (0) - FeHCO3+ 8.498e-07 5.530e-07 -6.071 -6.257 -0.187 (0) - FeCO3OH- 3.767e-08 2.451e-08 -7.424 -7.611 -0.187 (0) + HCO3- 1.193e-03 7.763e-04 -2.924 -3.110 -0.186 (0) + Na(HCO3) 1.439e-04 1.439e-04 -3.842 -3.842 0.000 (0) + CO2 1.048e-04 1.048e-04 -3.980 -3.980 0.000 (0) + Ca(HCO3)+ 8.105e-05 5.276e-05 -4.091 -4.278 -0.186 (0) + Mg(HCO3)+ 4.773e-05 3.107e-05 -4.321 -4.508 -0.186 (0) + Na(CO3)- 5.784e-06 3.765e-06 -5.238 -5.424 -0.186 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + FeCO3 3.890e-06 3.890e-06 -5.410 -5.410 0.000 (0) + CO3-2 3.742e-06 6.134e-07 -5.427 -6.212 -0.785 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Sr(HCO3)+ 9.184e-07 5.978e-07 -6.037 -6.223 -0.186 (0) Sr(CO3) 2.015e-08 2.015e-08 -7.696 -7.696 0.000 (0) - FeCO3OH 1.565e-09 1.565e-09 -8.805 -8.805 0.000 (0) - Fe(CO3)2-2 1.520e-09 2.726e-10 -8.818 -9.565 -0.746 (0) - Fe(CO3)3-3 5.075e-14 1.062e-15 -13.295 -14.974 -1.679 (0) - CO 2.764e-18 2.764e-18 -17.558 -17.558 0.000 (0) -Ca 3.085e-02 - Ca+2 2.556e-02 5.427e-03 -1.592 -2.265 -0.673 (0) + Fe(OH)CO3 1.981e-09 1.981e-09 -8.703 -8.703 0.000 (0) + Fe(CO3)2-2 7.828e-10 1.405e-10 -9.106 -9.852 -0.746 (0) + Fe(CO3)3-3 4.274e-14 8.964e-16 -13.369 -15.048 -1.678 (0) + CO 1.899e-18 1.899e-18 -17.721 -17.721 0.000 (0) +Ca 3.070e-02 + Ca+2 2.542e-02 5.398e-03 -1.595 -2.268 -0.673 (0) Ca(SO4) 5.197e-03 5.197e-03 -2.284 -2.284 0.000 (0) - Ca(HCO3)+ 8.116e-05 5.282e-05 -4.091 -4.277 -0.187 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - Ca(H3SiO4)+ 3.653e-08 2.377e-08 -7.437 -7.624 -0.187 (0) - Ca(OH)+ 2.294e-08 1.493e-08 -7.639 -7.826 -0.187 (0) - Ca(S2O3) 1.264e-15 1.264e-15 -14.898 -14.898 0.000 (0) -Cl 5.283e-01 - Cl- 5.236e-01 3.580e-01 -0.281 -0.446 -0.165 (0) - MgCl+ 4.624e-03 3.009e-03 -2.335 -2.522 -0.187 (0) - SrCl+ 4.779e-05 3.110e-05 -4.321 -4.507 -0.187 (0) - FeCl+ 1.973e-05 1.284e-05 -4.705 -4.892 -0.187 (0) - FeCl3- 1.918e-05 1.248e-05 -4.717 -4.904 -0.187 (0) - FeCl2 1.005e-06 1.005e-06 -5.998 -5.998 0.000 (0) - HCl 4.136e-09 4.136e-09 -8.383 -8.383 0.000 (0) - FeCl+2 1.349e-19 2.419e-20 -18.870 -19.616 -0.746 (0) - FeCl2+ 6.670e-20 4.341e-20 -19.176 -19.362 -0.187 (0) - FeCl3 1.665e-21 1.665e-21 -20.779 -20.779 0.000 (0) - FeCl4- 1.101e-23 7.167e-24 -22.958 -23.145 -0.187 (0) - Cl2 0.000e+00 0.000e+00 -54.052 -54.052 0.000 (0) - ClO4- 0.000e+00 0.000e+00 -154.378 -154.548 -0.169 (0) -Fe(2) 2.129e-04 - Fe+2 1.448e-04 2.597e-05 -3.839 -4.585 -0.746 (0) - FeCl+ 1.973e-05 1.284e-05 -4.705 -4.892 -0.187 (0) - Fe(SO4) 1.931e-05 1.931e-05 -4.714 -4.714 0.000 (0) - FeCl3- 1.918e-05 1.248e-05 -4.717 -4.904 -0.187 (0) - Fe(CO3) 7.763e-06 7.763e-06 -5.110 -5.110 0.000 (0) - FeCl2 1.005e-06 1.005e-06 -5.998 -5.998 0.000 (0) - FeHCO3+ 8.498e-07 5.530e-07 -6.071 -6.257 -0.187 (0) - Fe(OH)+ 2.092e-07 1.361e-07 -6.679 -6.866 -0.187 (0) - FeCO3OH- 3.767e-08 2.451e-08 -7.424 -7.611 -0.187 (0) - Fe(CO3)2-2 1.520e-09 2.726e-10 -8.818 -9.565 -0.746 (0) - Fe(HS)+ 1.220e-10 7.940e-11 -9.914 -10.100 -0.187 (0) - Fe(OH)2 1.792e-11 1.792e-11 -10.747 -10.747 0.000 (0) - Fe(HSO4)+ 1.303e-11 8.481e-12 -10.885 -11.072 -0.187 (0) - Fe(OH)3- 2.288e-15 1.489e-15 -14.641 -14.827 -0.187 (0) - Fe(HS)2 1.429e-18 1.429e-18 -17.845 -17.845 0.000 (0) - Fe(OH)4-2 1.093e-21 1.960e-22 -20.961 -21.708 -0.746 (0) -Fe(3) 1.571e-09 - FeCO3OH 1.565e-09 1.565e-09 -8.805 -8.805 0.000 (0) - Fe(OH)3 3.373e-12 3.373e-12 -11.472 -11.472 0.000 (0) - Fe(OH)2+ 2.427e-12 1.580e-12 -11.615 -11.801 -0.187 (0) - Fe(OH)4- 7.834e-14 5.098e-14 -13.106 -13.293 -0.187 (0) - Fe(CO3)3-3 5.075e-14 1.062e-15 -13.295 -14.974 -1.679 (0) - Fe(OH)+2 1.283e-15 2.878e-16 -14.892 -15.541 -0.649 (0) - Fe(H3SiO4)+2 1.018e-16 1.825e-17 -15.992 -16.739 -0.746 (0) - Fe(SO4)+ 2.441e-19 1.588e-19 -18.612 -18.799 -0.187 (0) - FeCl+2 1.349e-19 2.419e-20 -18.870 -19.616 -0.746 (0) - Fe+3 1.285e-19 2.690e-21 -18.891 -20.570 -1.679 (0) - FeCl2+ 6.670e-20 4.341e-20 -19.176 -19.362 -0.187 (0) - Fe(SO4)2- 2.284e-20 1.486e-20 -19.641 -19.828 -0.187 (0) - FeCl3 1.665e-21 1.665e-21 -20.779 -20.779 0.000 (0) - FeCl4- 1.101e-23 7.167e-24 -22.958 -23.145 -0.187 (0) - FeHSO4+2 1.230e-25 2.206e-26 -24.910 -25.656 -0.746 (0) - Fe2(OH)2+4 2.156e-27 2.230e-30 -26.666 -29.652 -2.985 (0) - FeS2O3+ 9.627e-32 6.265e-32 -31.016 -31.203 -0.187 (0) - Fe3(OH)4+5 3.401e-35 7.360e-40 -34.468 -39.133 -4.665 (0) -H(0) 5.202e-12 - H2 2.601e-12 2.601e-12 -11.585 -11.585 0.000 (0) + Ca(HCO3)+ 8.105e-05 5.276e-05 -4.091 -4.278 -0.186 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + Ca(H3SiO4)+ 3.637e-08 2.367e-08 -7.439 -7.626 -0.186 (0) + Ca(OH)+ 2.284e-08 1.486e-08 -7.641 -7.828 -0.186 (0) + Ca(S2O3) 8.035e-17 8.035e-17 -16.095 -16.095 0.000 (0) +Cl 5.268e-01 + Cl- 5.221e-01 3.571e-01 -0.282 -0.447 -0.165 (0) + MgCl+ 4.482e-03 2.917e-03 -2.349 -2.535 -0.186 (0) + FeCl+ 1.542e-04 1.216e-04 -3.812 -3.915 -0.103 (0) + SrCl+ 4.740e-05 3.085e-05 -4.324 -4.511 -0.186 (0) + FeCl2+ 1.263e-19 8.218e-20 -18.899 -19.085 -0.186 (0) + FeCl+2 1.185e-19 4.592e-20 -18.926 -19.338 -0.412 (0) + FeCl3 1.851e-21 1.851e-21 -20.732 -20.732 0.000 (0) + FeCl4- 1.016e-23 6.611e-24 -22.993 -23.180 -0.186 (0) + Cl2 0.000e+00 0.000e+00 -53.890 -53.890 0.000 (0) + ClO4- 0.000e+00 0.000e+00 -153.421 -153.591 -0.169 (0) +Fe(2) 3.574e-04 + Fe+2 1.547e-04 3.406e-05 -3.811 -4.468 -0.657 (0) + FeCl+ 1.542e-04 1.216e-04 -3.812 -3.915 -0.103 (0) + Fe(SO4) 4.423e-05 4.423e-05 -4.354 -4.354 0.000 (0) + FeCO3 3.890e-06 3.890e-06 -5.410 -5.410 0.000 (0) + Fe(OH)+ 4.882e-07 3.178e-07 -6.311 -6.498 -0.186 (0) + Fe(CO3)2-2 7.828e-10 1.405e-10 -9.106 -9.852 -0.746 (0) + Fe(HS)+ 3.531e-11 2.298e-11 -10.452 -10.639 -0.186 (0) + Fe(OH)2 1.355e-11 1.355e-11 -10.868 -10.868 0.000 (0) + Fe(OH)3- 3.454e-17 2.248e-17 -16.462 -16.648 -0.186 (0) + Fe(HS)2 9.130e-20 9.130e-20 -19.040 -19.040 0.000 (0) + Fe(OH)4-2 6.880e-22 1.235e-22 -21.162 -21.908 -0.746 (0) +Fe(3) 2.012e-09 + Fe(OH)CO3 1.981e-09 1.981e-09 -8.703 -8.703 0.000 (0) + Fe(OH)2+ 2.603e-11 1.694e-11 -10.585 -10.771 -0.186 (0) + Fe(OH)3 4.885e-12 4.885e-12 -11.311 -11.311 0.000 (0) + Fe(OH)4- 1.136e-13 7.392e-14 -12.945 -13.131 -0.186 (0) + Fe(CO3)3-3 4.274e-14 8.964e-16 -13.369 -15.048 -1.678 (0) + Fe(OH)+2 2.032e-15 4.562e-16 -14.692 -15.341 -0.649 (0) + Fe(H3SiO4)+2 1.470e-16 2.638e-17 -15.833 -16.579 -0.746 (0) + Fe(SO4)+ 5.003e-19 3.257e-19 -18.301 -18.487 -0.186 (0) + Fe(SO4)2- 2.201e-19 1.433e-19 -18.657 -18.844 -0.186 (0) + FeCl2+ 1.263e-19 8.218e-20 -18.899 -19.085 -0.186 (0) + FeCl+2 1.185e-19 4.592e-20 -18.926 -19.338 -0.412 (0) + Fe+3 7.427e-20 3.884e-21 -19.129 -20.411 -1.282 (0) + FeCl3 1.851e-21 1.851e-21 -20.732 -20.732 0.000 (0) + FeCl4- 1.016e-23 6.611e-24 -22.993 -23.180 -0.186 (0) + Fe2(OH)2+4 6.053e-27 6.285e-30 -26.218 -29.202 -2.984 (0) + FeS2O3+ 3.151e-32 2.051e-32 -31.502 -31.688 -0.186 (0) + Fe3(OH)4+5 1.022e-34 2.225e-39 -33.991 -38.653 -4.662 (0) +H(0) 3.561e-12 + H2 1.780e-12 1.780e-12 -11.750 -11.750 0.000 (0) K 2.112e-03 - K+ 2.112e-03 1.374e-03 -2.675 -2.862 -0.187 (0) -Mg 2.431e-02 - Mg+2 1.665e-02 3.754e-03 -1.779 -2.425 -0.647 (0) - MgCl+ 4.624e-03 3.009e-03 -2.335 -2.522 -0.187 (0) - Mg(SO4) 2.990e-03 2.990e-03 -2.524 -2.524 0.000 (0) - Mg(HCO3)+ 4.890e-05 3.182e-05 -4.311 -4.497 -0.187 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Mg(OH)+ 1.998e-07 1.300e-07 -6.700 -6.886 -0.187 (0) - Mg(H3SiO4)+ 4.494e-08 2.924e-08 -7.347 -7.534 -0.187 (0) - Mg(S2O3) 7.273e-16 7.273e-16 -15.138 -15.138 0.000 (0) - Mg4(OH)4+4 2.577e-18 2.665e-21 -17.589 -20.574 -2.985 (0) + K+ 2.112e-03 1.375e-03 -2.675 -2.862 -0.186 (0) +Mg 2.363e-02 + Mg+2 1.618e-02 3.650e-03 -1.791 -2.438 -0.647 (0) + MgCl+ 4.482e-03 2.917e-03 -2.349 -2.535 -0.186 (0) + Mg(SO4) 2.922e-03 2.922e-03 -2.534 -2.534 0.000 (0) + Mg(HCO3)+ 4.773e-05 3.107e-05 -4.321 -4.508 -0.186 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Mg(OH)+ 1.944e-07 1.265e-07 -6.711 -6.898 -0.186 (0) + Mg(H3SiO4)+ 4.373e-08 2.846e-08 -7.359 -7.546 -0.186 (0) + Mg(S2O3) 1.603e-16 1.603e-16 -15.795 -15.795 0.000 (0) + Mg4(OH)4+4 2.302e-18 2.391e-21 -17.638 -20.622 -2.984 (0) Na 4.927e-01 Na+ 4.925e-01 3.296e-01 -0.308 -0.482 -0.174 (0) - Na(HCO3) 1.433e-04 1.433e-04 -3.844 -3.844 0.000 (0) - Na(CO3)- 5.755e-06 3.745e-06 -5.240 -5.427 -0.187 (0) - Na(S2O3)- 6.049e-15 3.937e-15 -14.218 -14.405 -0.187 (0) -O(0) -2.763e-18 - CO 2.764e-18 2.764e-18 -17.558 -17.558 0.000 (0) - S2-2 1.004e-21 1.801e-22 -20.998 -21.745 -0.746 (0) - S3-2 2.851e-26 5.113e-27 -25.545 -26.291 -0.746 (0) - S4-2 6.425e-32 1.152e-32 -31.192 -31.939 -0.746 (0) - S4O6-2 8.521e-36 1.528e-36 -35.069 -35.816 -0.746 (0) - S5-2 8.730e-38 1.566e-38 -37.059 -37.805 -0.746 (0) - S3O6-2 0.000e+00 0.000e+00 -43.162 -43.909 -0.746 (0) - Cl2 0.000e+00 0.000e+00 -54.052 -54.052 0.000 (0) - S5O6-2 0.000e+00 0.000e+00 -56.377 -57.123 -0.746 (0) - HSO5- 0.000e+00 0.000e+00 -61.082 -61.269 -0.187 (0) - O2 0.000e+00 0.000e+00 -68.986 -68.986 0.000 (0) - S2O8-2 0.000e+00 0.000e+00 -75.241 -75.987 -0.746 (0) - ClO4- 0.000e+00 0.000e+00 -154.378 -154.548 -0.169 (0) -S(-2) 4.177e-10 - HS- 2.147e-10 1.397e-10 -9.668 -9.855 -0.187 (0) - Fe(HS)+ 1.220e-10 7.940e-11 -9.914 -10.100 -0.187 (0) - H2S 8.091e-11 8.091e-11 -10.092 -10.092 0.000 (0) - Fe(HS)2 1.429e-18 1.429e-18 -17.845 -17.845 0.000 (0) - S-2 1.045e-19 1.873e-20 -18.981 -19.727 -0.746 (0) - S2-2 1.004e-21 1.801e-22 -20.998 -21.745 -0.746 (0) - S3-2 2.851e-26 5.113e-27 -25.545 -26.291 -0.746 (0) - S4-2 6.425e-32 1.152e-32 -31.192 -31.939 -0.746 (0) - S5-2 8.730e-38 1.566e-38 -37.059 -37.805 -0.746 (0) -S(2) 4.882e-14 - S2O3-2 1.635e-14 2.932e-15 -13.786 -14.533 -0.746 (0) - Na(S2O3)- 6.049e-15 3.937e-15 -14.218 -14.405 -0.187 (0) - Ca(S2O3) 1.264e-15 1.264e-15 -14.898 -14.898 0.000 (0) - Mg(S2O3) 7.273e-16 7.273e-16 -15.138 -15.138 0.000 (0) - Sr(S2O3) 1.644e-17 1.644e-17 -16.784 -16.784 0.000 (0) - H(S2O3)- 1.401e-20 9.118e-21 -19.854 -20.040 -0.187 (0) - H2(S2O3) 2.151e-27 2.151e-27 -26.667 -26.667 0.000 (0) - FeS2O3+ 9.627e-32 6.265e-32 -31.016 -31.203 -0.187 (0) -S(3) 1.418e-33 - S2O4-2 7.092e-34 1.272e-34 -33.149 -33.896 -0.746 (0) - HS2O4- 3.662e-39 2.383e-39 -38.436 -38.623 -0.187 (0) - H2S2O4 0.000e+00 0.000e+00 -45.550 -45.550 0.000 (0) -S(4) 2.668e-14 - SO3-2 2.186e-14 3.580e-15 -13.660 -14.446 -0.786 (0) - H(SO3)- 4.822e-15 3.138e-15 -14.317 -14.503 -0.187 (0) - SO2 1.372e-20 1.372e-20 -19.863 -19.863 0.000 (0) - H2(SO3) 1.347e-20 1.347e-20 -19.871 -19.871 0.000 (0) - S2O5-2 1.809e-30 3.245e-31 -29.742 -30.489 -0.746 (0) - S4O6-2 8.521e-36 1.528e-36 -35.069 -35.816 -0.746 (0) - S3O6-2 0.000e+00 0.000e+00 -43.162 -43.909 -0.746 (0) - S5O6-2 0.000e+00 0.000e+00 -56.377 -57.123 -0.746 (0) -S(6) 3.822e-02 - SO4-2 2.997e-02 4.690e-03 -1.523 -2.329 -0.805 (0) + Na(HCO3) 1.439e-04 1.439e-04 -3.842 -3.842 0.000 (0) + Na(CO3)- 5.784e-06 3.765e-06 -5.238 -5.424 -0.186 (0) + Na(S2O3)- 1.371e-15 8.927e-16 -14.863 -15.049 -0.186 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -68.667 -68.667 0.000 (0) +S(-2) 1.005e-10 + HS- 4.738e-11 3.084e-11 -10.324 -10.511 -0.186 (0) + Fe(HS)+ 3.531e-11 2.298e-11 -10.452 -10.639 -0.186 (0) + H2S 1.784e-11 1.784e-11 -10.749 -10.749 0.000 (0) + Fe(HS)2 9.130e-20 9.130e-20 -19.040 -19.040 0.000 (0) + S-2 2.305e-20 4.138e-21 -19.637 -20.383 -0.746 (0) + S2-2 7.139e-23 1.282e-23 -22.146 -22.892 -0.746 (0) + S3-2 6.525e-28 1.171e-28 -27.185 -27.931 -0.746 (0) + S4-2 4.737e-34 8.502e-35 -33.325 -34.070 -0.746 (0) + S5-2 2.072e-40 0.000e+00 -39.684 -40.430 -0.746 (0) +S(2) 1.064e-14 + S2O3-2 3.704e-15 6.648e-16 -14.431 -15.177 -0.746 (0) + Na(S2O3)- 1.371e-15 8.927e-16 -14.863 -15.049 -0.186 (0) + Mg(S2O3) 1.603e-16 1.603e-16 -15.795 -15.795 0.000 (0) + Ca(S2O3) 8.035e-17 8.035e-17 -16.095 -16.095 0.000 (0) + Sr(S2O3) 3.709e-18 3.709e-18 -17.431 -17.431 0.000 (0) + H(S2O3)- 3.173e-21 2.065e-21 -20.499 -20.685 -0.186 (0) + H2(S2O3) 4.867e-28 4.867e-28 -27.313 -27.313 0.000 (0) + FeS2O3+ 3.151e-32 2.051e-32 -31.502 -31.688 -0.186 (0) +S(3) 4.585e-34 + S2O4-2 2.292e-34 4.115e-35 -33.640 -34.386 -0.746 (0) + HS2O4- 1.183e-39 7.703e-40 -38.927 -39.113 -0.186 (0) + H2S2O4 0.000e+00 0.000e+00 -46.041 -46.041 0.000 (0) +S(4) 1.835e-14 + SO3-2 1.504e-14 2.465e-15 -13.823 -14.608 -0.785 (0) + H(SO3)- 3.316e-15 2.158e-15 -14.479 -14.666 -0.186 (0) + SO2 9.424e-21 9.424e-21 -20.026 -20.026 0.000 (0) + H2(SO3) 9.255e-21 9.255e-21 -20.034 -20.034 0.000 (0) + S2O5-2 8.550e-31 1.535e-31 -30.068 -30.814 -0.746 (0) + S4O6-2 6.101e-37 1.095e-37 -36.215 -36.960 -0.746 (0) + S3O6-2 0.000e+00 0.000e+00 -43.815 -44.561 -0.746 (0) + S5O6-2 0.000e+00 0.000e+00 -58.004 -58.750 -0.746 (0) +S(6) 3.830e-02 + SO4-2 3.009e-02 4.715e-03 -1.522 -2.327 -0.805 (0) Ca(SO4) 5.197e-03 5.197e-03 -2.284 -2.284 0.000 (0) - Mg(SO4) 2.990e-03 2.990e-03 -2.524 -2.524 0.000 (0) + Mg(SO4) 2.922e-03 2.922e-03 -2.534 -2.534 0.000 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - Fe(SO4) 1.931e-05 1.931e-05 -4.714 -4.714 0.000 (0) - H(SO4)- 4.125e-08 2.654e-08 -7.385 -7.576 -0.192 (0) - Fe(HSO4)+ 1.303e-11 8.481e-12 -10.885 -11.072 -0.187 (0) - Fe(SO4)+ 2.441e-19 1.588e-19 -18.612 -18.799 -0.187 (0) - Fe(SO4)2- 2.284e-20 1.486e-20 -19.641 -19.828 -0.187 (0) - FeHSO4+2 1.230e-25 2.206e-26 -24.910 -25.656 -0.746 (0) - HSO5- 0.000e+00 0.000e+00 -61.082 -61.269 -0.187 (0) - S2O8-2 0.000e+00 0.000e+00 -75.241 -75.987 -0.746 (0) + Fe(SO4) 4.423e-05 4.423e-05 -4.354 -4.354 0.000 (0) + H(SO4)- 4.141e-08 2.665e-08 -7.383 -7.574 -0.191 (0) + Fe(SO4)+ 5.003e-19 3.257e-19 -18.301 -18.487 -0.186 (0) + Fe(SO4)2- 2.201e-19 1.433e-19 -18.657 -18.844 -0.186 (0) + HSO5- 0.000e+00 0.000e+00 -60.916 -61.103 -0.186 (0) + S2O8-2 0.000e+00 0.000e+00 -75.073 -75.819 -0.746 (0) Si 1.763e-04 H4(SiO4) 1.755e-04 1.755e-04 -3.756 -3.756 0.000 (0) - H3(SiO4)- 7.203e-07 4.281e-07 -6.142 -6.368 -0.226 (0) - Mg(H3SiO4)+ 4.494e-08 2.924e-08 -7.347 -7.534 -0.187 (0) - Ca(H3SiO4)+ 3.653e-08 2.377e-08 -7.437 -7.624 -0.187 (0) - Si2O2(OH)5- 2.816e-09 1.674e-09 -8.550 -8.776 -0.226 (0) - Si2O3(OH)4-2 2.350e-12 3.556e-13 -11.629 -12.449 -0.820 (0) - H2(SiO4)-2 2.262e-12 3.621e-13 -11.646 -12.441 -0.796 (0) - Si4O6(OH)6-2 4.068e-16 7.295e-17 -15.391 -16.137 -0.746 (0) - Fe(H3SiO4)+2 1.018e-16 1.825e-17 -15.992 -16.739 -0.746 (0) - Si3O6(OH)3-3 8.722e-18 1.375e-19 -17.059 -18.862 -1.802 (0) - Si3O5(OH)5-3 6.804e-18 1.072e-19 -17.167 -18.970 -1.802 (0) - Si4O8(OH)4-4 6.778e-23 5.219e-26 -22.169 -25.282 -3.113 (0) - Si4O7(OH)6-4 6.240e-23 6.452e-26 -22.205 -25.190 -2.985 (0) - Si6O15-6 6.565e-35 0.000e+00 -34.183 -40.900 -6.717 (0) -Sr 3.818e-04 - Sr+2 2.852e-04 5.115e-05 -3.545 -4.291 -0.746 (0) + H3(SiO4)- 7.209e-07 4.285e-07 -6.142 -6.368 -0.226 (0) + Mg(H3SiO4)+ 4.373e-08 2.846e-08 -7.359 -7.546 -0.186 (0) + Ca(H3SiO4)+ 3.637e-08 2.367e-08 -7.439 -7.626 -0.186 (0) + Si2O2(OH)5- 2.818e-09 1.675e-09 -8.550 -8.776 -0.226 (0) + Si2O3(OH)4-2 2.353e-12 3.563e-13 -11.628 -12.448 -0.820 (0) + H2(SiO4)-2 2.264e-12 3.628e-13 -11.645 -12.440 -0.795 (0) + Si4O6(OH)6-2 4.073e-16 7.311e-17 -15.390 -16.136 -0.746 (0) + Fe(H3SiO4)+2 1.470e-16 2.638e-17 -15.833 -16.579 -0.746 (0) + Si3O6(OH)3-3 8.730e-18 1.379e-19 -17.059 -18.860 -1.801 (0) + Si3O5(OH)5-3 6.810e-18 1.076e-19 -17.167 -18.968 -1.801 (0) + Si4O8(OH)4-4 6.779e-23 5.241e-26 -22.169 -25.281 -3.112 (0) + Si4O7(OH)6-4 6.241e-23 6.480e-26 -22.205 -25.188 -2.984 (0) + Si6O15-6 6.547e-35 0.000e+00 -34.184 -40.897 -6.713 (0) +Sr 3.796e-04 + Sr+2 2.834e-04 5.088e-05 -3.548 -4.293 -0.746 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - SrCl+ 4.779e-05 3.110e-05 -4.321 -4.507 -0.187 (0) - Sr(HCO3)+ 9.196e-07 5.984e-07 -6.036 -6.223 -0.187 (0) + SrCl+ 4.740e-05 3.085e-05 -4.324 -4.511 -0.186 (0) + Sr(HCO3)+ 9.184e-07 5.978e-07 -6.037 -6.223 -0.186 (0) Sr(CO3) 2.015e-08 2.015e-08 -7.696 -7.696 0.000 (0) - Sr(OH)+ 6.681e-11 4.347e-11 -10.175 -10.362 -0.187 (0) - Sr(S2O3) 1.644e-17 1.644e-17 -16.784 -16.784 0.000 (0) + Sr(OH)+ 6.651e-11 4.329e-11 -10.177 -10.364 -0.186 (0) + Sr(S2O3) 3.709e-18 3.709e-18 -17.431 -17.431 0.000 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - Acmite -0.56 0.36 0.92 NaFeSi2O6 + Acmite -0.37 0.52 0.89 NaFeSi2O6 Afwillite -20.38 29.04 49.42 Ca3Si2O4(OH)6 Anhydrite -0.15 -4.59 -4.44 Ca(SO4) - Antarcticite -7.14 -3.20 3.94 CaCl2:6H2O - Antigorite -50.55 449.61 500.16 Mg48Si34O85(OH)62 + Antarcticite -7.15 -3.21 3.94 CaCl2:6H2O + Antigorite -50.82 449.07 499.89 Mg48Si34O85(OH)62 Aragonite -0.17 -8.48 -8.31 CaCO3 Arcanite -6.20 -8.05 -1.85 K2SO4 - Artinite -6.46 3.35 9.81 Mg2(CO3)(OH)2:3H2O + Artinite -6.48 3.33 9.81 Mg2(CO3)(OH)2:3H2O Bassanite -0.68 -4.60 -3.92 CaSO4:0.5H2O - Bischofite -7.82 -3.36 4.46 MgCl2:6H2O - Bloedite -5.73 -8.08 -2.35 Na2Mg(SO4)2:4H2O - Brucite -5.09 12.01 17.10 Mg(OH)2 + Bischofite -7.84 -3.38 4.46 MgCl2:6H2O + Bloedite -5.74 -8.09 -2.35 Na2Mg(SO4)2:4H2O + Brucite -5.10 12.00 17.10 Mg(OH)2 Burkeite -12.99 -13.76 -0.77 Na6(CO3)(SO4)2 - C(cr) -5.51 48.32 53.83 C + C(cr) -5.83 -37.98 -32.15 C C2SH(alpha) -14.93 20.61 35.54 Ca2(HSiO4)(OH) - C3FH6 -33.69 38.70 72.39 Ca3Fe2(OH)12 - C4FH13 -44.34 50.82 95.16 Ca4Fe2(OH)14:6H2O - Ca(s) -93.17 46.67 139.84 Ca - Ca(SO3)(s) -10.21 -16.71 -6.50 Ca(SO3) - Ca2Cl2(OH)2:H2O(s) -17.52 9.01 26.53 Ca2Cl2(OH)2:H2O - Ca2Fe2O5(s) -30.20 26.56 56.76 Ca2Fe2O5 - Ca4Cl2(OH)6:13H2O(s) -35.47 33.26 68.73 Ca4Cl2(OH)6:13H2O - CaCl2:2H2O(cr) -11.12 -3.17 7.95 CaCl2:2H2O + C3FH6 -33.32 39.01 72.33 Ca3Fe2(OH)12 + C4FH13 -43.94 51.14 95.08 Ca4Fe2(OH)14:6H2O + Ca(cr) -93.33 3.52 96.85 Ca + Ca(SO3)(s) -10.38 -16.88 -6.50 Ca(SO3) + Ca2Cl2(OH)2:H2O(s) -17.53 9.00 26.53 Ca2Cl2(OH)2:H2O + Ca2Fe2O5(s) -29.86 26.88 56.74 Ca2Fe2O5 + Ca4Cl2(OH)6:13H2O(s) -35.48 33.25 68.73 Ca4Cl2(OH)6:13H2O + CaCl2:2H2O(cr) -11.13 -3.18 7.95 CaCl2:2H2O CaCl2:4H2O(cr) -8.54 -3.19 5.35 CaCl2:4H2O CaCl2:H2O(s) -11.02 -3.17 7.85 CaCl2:H2O CaCO3:H2O(s) -0.89 -8.49 -7.60 CaCO3:H2O - CaFe2O4(s) -6.86 14.38 21.24 CaFe2O4 + CaFe2O4(s) -6.54 14.70 21.24 CaFe2O4 Calcite 0.00 -8.48 -8.48 CaCO3 - CaMg3(CO3)4(s) -3.59 -34.40 -30.81 CaMg3(CO3)4 + CaMg3(CO3)4(s) -3.62 -34.43 -30.81 CaMg3(CO3)4 CaO(cr) -20.52 12.18 32.70 CaO - Carnallite -11.00 -6.67 4.33 KMgCl3:6H2O - Celestite 0.00 -6.62 -6.62 Sr(SO4) - CH4(g) -13.62 117.29 130.91 CH4 - Cl2(g) -52.82 -49.83 2.99 Cl2 - CO(g) -14.52 13.83 28.35 CO + Carnallite -11.02 -6.69 4.33 KMgCl3:6H2O + Celestite -0.00 -6.62 -6.62 Sr(SO4) + CH4(g) -14.27 -55.32 -41.05 CH4 + Chukanovite -3.68 -0.71 2.97 Fe2(OH)2CO3 + Cl2(g) -52.66 -6.68 45.98 Cl2 + CO(g) -14.68 -29.32 -14.64 CO CO2(g) -2.51 -20.66 -18.15 CO2 Cristobalite -0.58 -3.74 -3.16 SiO2 - Cronstedtite-Th 2.06 18.17 16.11 Fe4SiO5(OH)4 + Cronstedtite-Th 2.62 18.73 16.11 Fe4SiO5(OH)4 CSH0.8 -5.06 5.99 11.05 Ca0.8SiO2.8:1.54H2O CSH1.2 -8.44 10.86 19.30 Ca1.2SiO3.2:2.06H2O CSH1.6 -12.27 15.73 28.00 Ca1.6SiO3.6:2.58H2O - Dolomite 0.00 -17.12 -17.12 CaMg(CO3)2 - Epsonite -2.93 -4.81 -1.88 Mg(SO4):7H2O - Ettringite-Fe -29.84 24.71 54.55 Ca6Fe2(SO4)3(OH)12:26H2O - Fayalite -3.53 15.98 19.51 Fe2(SiO4) - Fe(OH)2(cr) -2.91 9.85 12.76 Fe(OH)2 - Fe(s) -14.50 44.35 58.85 Fe - FeO(s) -3.51 9.86 13.37 FeO - Ferrihydrite(am) -1.45 1.09 2.54 Fe(OH)3 - Ferrosilite -26.59 6.12 32.71 FeSiO3 - Ferryhydrite -0.10 1.09 1.19 Fe(OH)3 - FeS(am) -4.26 -7.21 -2.95 FeS + Dolomite 0.00 -17.13 -17.13 CaMg(CO3)2 + Epsonite -2.94 -4.82 -1.88 Mg(SO4):7H2O + Ettringite-Fe -29.52 25.03 54.55 Ca6Fe2(SO4)3(OH)12:26H2O + Fayalite -3.33 16.22 19.55 Fe2(SiO4) + Fe(alpha,cr) -14.57 1.32 15.89 Fe + Fe(OH)2(cr) -2.81 9.97 12.78 Fe(OH)2 + Fe0.932O(s) -3.62 9.89 13.51 Fe0.932O + Fe3O4(s) -0.10 12.50 12.60 Fe3O4 + FeO(s) -3.41 9.98 13.39 FeO + Ferrihydrite(am) -2.67 1.25 3.92 Fe(OH)3 + Ferrihydrite(cr) 0.03 1.25 1.22 Fe(OH)3 + Ferrihydrite(s) -1.53 1.25 2.78 Fe(OH)3 + Ferrosilite -26.47 6.24 32.71 FeSiO3 + FeS(am) -4.80 -7.75 -2.95 FeS Foshagite -28.47 37.49 65.96 Ca4Si3O9(OH)2:0.5H2O Gaylussite -6.27 -15.70 -9.43 CaNa2(CO3)2:5H2O - Glaserite -19.84 -27.45 -7.61 Na2K6(SO4)4 - Glauberite -9.86 -7.89 1.97 Na2Ca(SO4)2 - Goethite 0.71 1.10 0.39 FeOOH - Greenalite 0.32 22.09 21.77 Fe3Si2O5(OH)4 + Glaserite -19.83 -27.44 -7.61 Na2K6(SO4)4 + Glauberite -9.85 -7.88 1.97 Na2Ca(SO4)2 + Goethite 1.09 1.26 0.17 FeOOH + GR-Cl -5.25 36.55 41.80 Fe3Fe(OH)8Cl + GR-CO3 -7.68 47.82 55.50 Fe4Fe2(OH)12CO3:2H2O + GR-SO4 -6.58 51.72 58.30 Fe4Fe2(OH)12SO4 + Greenalite 0.62 22.44 21.82 Fe3Si2O5(OH)4 + Greigite -17.29 -32.32 -15.03 Fe3S4 Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O Gyrolite -9.22 13.12 22.34 Ca2Si3O7.5(OH):2H2O - H2(g) -8.50 34.49 42.99 H2 - H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -9.08 -17.08 -8.00 H2S + H2(g) -8.67 -8.67 0.00 H2 + H2O(g) -1.50 -43.00 -41.50 H2O + H2S(g) -9.74 -17.74 -8.00 H2S Halite -2.52 -0.93 1.59 NaCl HCl(g) -13.96 -7.67 6.29 HCl - Hematite 3.22 2.20 -1.02 Fe2O3 - Hexahydrite -3.16 -4.80 -1.64 Mg(SO4):6H2O + Hematite(cr) 3.35 2.52 -0.83 Fe2O3 + Hematite(s) 2.62 2.52 -0.10 Fe2O3 + Hexahydrite -3.17 -4.81 -1.64 Mg(SO4):6H2O Hillebrandite -16.34 20.61 36.95 Ca2SiO3(OH)2:0.17H2O Hydrophilite -14.93 -3.16 11.77 CaCl2 Jaffeite -48.48 65.58 114.06 Ca6(Si2O7)(OH)6 - Jennite -60.23 87.10 147.33 Ca9Si6O16(OH)10:6(H2O) - K(cr) -49.38 21.61 70.99 K + Jennite -60.24 87.09 147.33 Ca9Si6O16(OH)10:6H2O + K(cr) -49.46 0.03 49.49 K K(OH)(s) -20.24 4.36 24.60 K(OH) K-carbonate -14.98 -11.95 3.03 K2CO3:1.5H2O - K-trona -16.78 -25.88 -9.10 K2NaH(CO3)2:2H2O + K-trona -16.77 -25.87 -9.10 K2NaH(CO3)2:2H2O K2CO3(cr) -17.35 -11.94 5.41 K2CO3 K2O(s) -75.39 8.72 84.11 K2O - Kainite -7.90 -8.09 -0.19 KMgCl(SO4):3H2O + Kainite -7.91 -8.10 -0.19 KMgCl(SO4):3H2O Kalicinite -6.24 -16.30 -10.06 KHCO3 - Lansfordite -3.64 -8.68 -5.04 Mg(CO3):5H2O - Lawrencite -14.37 -5.48 8.89 FeCl2 - Leonhardtite -3.90 -4.79 -0.89 MgSO4:4H2O - Leonite -8.86 -12.84 -3.98 K2Mg(SO4)2:4H2O - Lepidocrocite 0.35 1.10 0.75 FeOOH - Lizardite -4.53 28.57 33.10 Mg3Si2O5(OH)4 - Mackinawite -3.61 -7.21 -3.60 FeS - Maghemite(disord) -1.11 2.20 3.31 Fe2O3 - Maghemite(ord) -1.32 2.20 3.52 Fe2O3 - Magnesite(nat) 0.27 -8.64 -8.91 MgCO3 - Magnesite(syn) -0.54 -8.64 -8.10 Mg(CO3) - Magnetite 1.65 12.06 10.41 Fe3O4 - Melanterite -4.76 -6.97 -2.21 FeSO4:7H2O + Lansfordite -3.65 -8.69 -5.04 Mg(CO3):5H2O + Lawrencite -14.29 -5.36 8.93 FeCl2 + Leonhardtite -3.91 -4.80 -0.89 MgSO4:4H2O + Leonite -8.87 -12.85 -3.98 K2Mg(SO4)2:4H2O + Lepidocrocite -0.60 1.26 1.86 FeOOH + Lizardite -4.55 28.53 33.08 Mg3Si2O5(OH)4 + Mackinawite -4.56 -7.75 -3.19 FeS + Maghemite -0.27 2.52 2.79 Fe2O3 + Magnesite(nat) 0.26 -8.65 -8.91 MgCO3 + Magnesite(syn) -0.55 -8.65 -8.10 Mg(CO3) + Magnetite 2.16 12.50 10.34 Fe3O4 + Melanterite -4.57 -6.85 -2.28 FeSO4:7H2O Mercallite -11.02 -12.42 -1.40 KHSO4 - Mg(cr) -76.26 46.51 122.77 Mg - Mg(SO4)(s) -13.85 -4.75 9.10 Mg(SO4) - Mg(SO4):H2O(s) -4.64 -4.76 -0.12 Mg(SO4):H2O - Mg-oxychlorur -9.70 16.33 26.03 Mg2Cl(OH)3:4H2O - Mg5(CO3)4(OH)2:4H2O(s) -12.27 -22.58 -10.31 Mg5(CO3)4(OH)2:4H2O - MgCl2(s) -25.35 -3.32 22.03 MgCl2 - MgCl2:2H2O(s) -16.23 -3.33 12.90 MgCl2:2H2O - MgCl2:4H2O(s) -10.79 -3.35 7.44 MgCl2:4H2O - MgCl2:H2O(s) -19.55 -3.33 16.22 MgCl2:H2O - Minnesotaite -0.31 14.62 14.93 Fe3Si4O10(OH)2 + Mg(cr) -76.43 3.35 79.78 Mg + Mg(SO4)(s) -13.86 -4.76 9.10 Mg(SO4) + Mg(SO4):H2O(s) -4.65 -4.77 -0.12 Mg(SO4):H2O + Mg-oxychlorur -9.72 16.31 26.03 Mg2Cl(OH)3:4H2O + Mg5(CO3)4(OH)2:4H2O(s) -12.32 -22.63 -10.31 Mg5(CO3)4(OH)2:4H2O + MgCl2(s) -25.36 -3.33 22.03 MgCl2 + MgCl2:2H2O(s) -16.25 -3.35 12.90 MgCl2:2H2O + MgCl2:4H2O(s) -10.80 -3.36 7.44 MgCl2:4H2O + MgCl2:H2O(s) -19.56 -3.34 16.22 MgCl2:H2O + Minnesotaite -0.02 14.97 14.99 Fe3Si4O10(OH)2 Mirabilite -2.14 -3.37 -1.23 Na2SO4:10H2O - Monosulfate-Fe -32.00 34.05 66.05 Ca4Fe2(SO4)(OH)12:6H2O - Na(cr) -43.40 23.99 67.38 Na + Monosulfate-Fe -31.68 34.37 66.05 Ca4Fe2(SO4)(OH)12:6H2O + Na(cr) -43.48 2.41 45.89 Na Na2(CO3)(cr) -8.30 -7.18 1.12 Na2(CO3) Na2CO3:7H2O(s) -6.77 -7.23 -0.46 Na2CO3:7H2O Na2O(cr) -53.98 13.48 67.46 Na2O Nahcolite -3.18 -13.92 -10.74 Na(HCO3) - Natron -6.43 -7.26 -0.83 Na2(CO3):10H2O - Nesquehonite -3.56 -8.66 -5.10 Mg(CO3):3H2O - O2(g) -66.09 -68.99 -2.90 O2 - Okenite -4.49 4.69 9.18 CaSi2O5:2H2O - Pentahydrite -3.51 -4.79 -1.28 MgSO4:5H2O - Periclase -9.56 12.02 21.58 MgO - Picromerite -8.52 -12.85 -4.33 K2Mg(SO4)2:6H2O + Natron -6.42 -7.25 -0.83 Na2(CO3):10H2O + Nesquehonite -3.57 -8.67 -5.10 Mg(CO3):3H2O + O2(g) -65.77 -68.67 -2.90 O2 + Okenite -4.50 4.68 9.18 CaSi2O5:2H2O + Pentahydrite -3.52 -4.80 -1.28 MgSO4:5H2O + Periclase -9.57 12.01 21.58 MgO + Picromerite -8.53 -12.86 -4.33 K2Mg(SO4)2:6H2O Pirssonite -6.76 -15.67 -8.91 Na2Ca(CO3)2:2H2O - Polyhalite -8.27 -22.01 -13.74 K2MgCa2(SO4)4:2H2O + Polyhalite -8.28 -22.02 -13.74 K2MgCa2(SO4)4:2H2O Portlandite -10.64 12.17 22.81 Ca(OH)2 - Pyrite 0.00 -58.78 -58.78 FeS2 - Pyrrhotite -1.80 -12.98 -11.18 Fe0.87S - Quartz 0.00 -3.74 -3.74 SiO2 - S(cr) -6.44 -51.57 -45.13 S - Si(cr) -83.92 65.25 149.17 Si - Siderite 0.00 -10.80 -10.80 Fe(CO3) + Pyrite 0.00 -16.82 -16.82 FeS2 + Pyrrhotite -2.60 -7.92 -5.32 Fe0.87S + Quartz -0.00 -3.74 -3.74 SiO2 + S(cr) -6.93 -9.07 -2.14 S + Schwertmannite(cr) -15.43 -6.71 8.72 Fe8O8(OH)6SO4 + Si(cr) -84.25 -21.06 63.19 Si + Siderite 0.00 -10.68 -10.68 Fe(CO3) SiO2(am) -1.03 -3.74 -2.71 SiO2 - SO2(g) -19.95 -28.89 -8.94 SO2 - Sr(cr) -97.13 44.65 141.78 Sr + SO2(g) -20.12 -29.06 -8.94 SO2 + Sr(cr) -97.30 1.49 98.79 Sr Sr(OH)2(s) -17.36 10.15 27.51 Sr(OH)2 Sr(OH)2:8H2O(s) -14.24 10.08 24.32 Sr(OH)2:8H2O Sr2SiO4(s) -26.68 16.57 43.25 Sr2SiO4 - SrCl2(s) -13.30 -5.18 8.12 SrCl2 + SrCl2(s) -13.31 -5.19 8.12 SrCl2 SrCl2:2H2O(s) -8.67 -5.20 3.47 SrCl2:2H2O - SrCl2:6H2O(s) -6.84 -5.23 1.61 SrCl2:6H2O - SrCl2:H2O(s) -10.10 -5.19 4.91 SrCl2:H2O - SrO(cr) -31.82 10.16 41.98 SrO - SrS(s) -21.60 -6.92 14.68 SrS - SrSiO3(s) -6.74 6.42 13.16 SrSiO3 + SrCl2:6H2O(s) -6.85 -5.24 1.61 SrCl2:6H2O + SrCl2:H2O(s) -10.11 -5.20 4.91 SrCl2:H2O + SrO(cr) -31.83 10.15 41.98 SrO + SrS(s) -22.26 -7.58 14.68 SrS + SrSiO3(s) -6.75 6.41 13.16 SrSiO3 Strontianite -1.24 -10.51 -9.27 Sr(CO3) Sylvite -4.18 -3.31 0.87 KCl Syngenite -5.24 -12.69 -7.45 K2Ca(SO4)2:6H2O - Tachyhydrite -27.27 -9.89 17.38 Mg2CaCl6:12H2O - Talc -3.84 21.10 24.94 Mg3Si4O10(OH)2 - Thermonatrite -7.67 -7.19 0.48 Na2(CO3):H2O - Thernardite -2.93 -3.29 -0.36 Na2SO4 + Tachyhydrite -27.30 -9.92 17.38 Mg2CaCl6:12H2O + Talc -3.86 21.06 24.92 Mg3Si4O10(OH)2 + Thenardite -2.93 -3.29 -0.36 Na2SO4 + Thermonatrite -7.66 -7.18 0.48 Na2(CO3):H2O Tobermorite-11A -27.16 38.42 65.58 Ca5Si6O16.5(OH):5H2O Tobermorite-14A -24.56 38.38 62.94 Ca5Si6O16.5(OH):10H2O - Troilite -1.90 -7.21 -5.31 FeS - Trona -9.74 -21.12 -11.38 Na3H(CO3)2:2H2O - Truscottite -36.71 40.37 77.08 Ca7Si12O29(OH)4:H2O + Troilite -3.76 -7.75 -3.99 FeS + Trona -9.73 -21.11 -11.38 Na3H(CO3)2:2H2O + Truscottite -36.72 40.36 77.08 Ca7Si12O29(OH)4:H2O Vaterite -0.58 -8.48 -7.90 CaCO3 - Xonotlite -40.70 50.64 91.34 Ca6Si6O17(OH)2 + Xonotlite -40.71 50.63 91.34 Ca6Si6O17(OH)2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -827,393 +798,378 @@ Reaction 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.000e+00 9.976e-01 -2.435e-03 -Celestite -0.00 -6.62 -6.62 1.000e+00 1.000e+00 1.764e-05 -Dolomite 0.00 -17.12 -17.12 1.000e+00 1.001e+00 1.318e-03 -Gypsum 0.00 -4.61 -4.61 0.000e+00 3.264e-03 3.264e-03 -Pyrite 0.00 -58.78 -58.78 1.000e+00 1.000e+00 -1.325e-11 +Calcite 0.00 -8.48 -8.48 1.000e+00 9.977e-01 -2.314e-03 +Celestite 0.00 -6.62 -6.62 1.000e+00 1.000e+00 1.826e-05 +Dolomite 0.00 -17.13 -17.13 1.000e+00 1.001e+00 1.326e-03 +Gypsum 0.00 -4.61 -4.61 0.000e+00 3.179e-03 3.179e-03 +Pyrite -0.00 -16.82 -16.82 1.000e+00 1.000e+00 1.773e-10 Quartz 0.00 -3.74 -3.74 1.000e+00 1.000e+00 1.982e-05 -Siderite 0.00 -10.80 -10.80 1.000e+00 9.998e-01 -1.999e-04 +Siderite 0.00 -10.68 -10.68 1.000e+00 9.997e-01 -3.315e-04 -----------------------------Solution composition------------------------------ Elements Molality Moles C 1.683e-03 1.501e-03 - Ca 3.154e-02 2.813e-02 - Cl 5.604e-01 4.997e-01 - Fe 2.241e-04 1.999e-04 + Ca 3.138e-02 2.798e-02 + Cl 5.587e-01 4.983e-01 + Fe 3.717e-04 3.315e-04 K 2.240e-03 1.998e-03 - Mg 2.507e-02 2.236e-02 + Mg 2.437e-02 2.173e-02 Na 5.225e-01 4.660e-01 - S 3.864e-02 3.446e-02 - Si 1.759e-04 1.568e-04 - Sr 3.955e-04 3.527e-04 + S 3.873e-02 3.454e-02 + Si 1.759e-04 1.569e-04 + Sr 3.932e-04 3.506e-04 ----------------------------Description of solution---------------------------- - pH = 7.202 Charge balance - pe = -2.946 Adjusted to redox equilibrium + pH = 7.203 Charge balance + pe = -2.864 Adjusted to redox equilibrium Activity of water = 0.981 - Ionic strength (mol/kgw) = 6.913e-01 + Ionic strength (mol/kgw) = 6.895e-01 Mass of water (kg) = 8.918e-01 - Total alkalinity (eq/kg) = 1.594e-03 + Total alkalinity (eq/kg) = 1.590e-03 Total CO2 (mol/kg) = 1.683e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 2.383e-12 + Electrical balance (eq) = 1.244e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 26 Gamma iterations = 8 - Osmotic coefficient = 0.91211 - Total H = 9.900887e+01 - Total O = 4.964629e+01 + Osmotic coefficient = 0.91210 + Total H = 9.900675e+01 + Total O = 4.964556e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 2.299e-07 1.562e-07 -6.638 -6.806 -0.168 (0) - H+ 8.317e-08 6.279e-08 -7.080 -7.202 -0.122 0.00 + OH- 2.302e-07 1.564e-07 -6.638 -6.806 -0.168 (0) + H+ 8.308e-08 6.271e-08 -7.081 -7.203 -0.122 0.00 H2O 5.551e+01 9.810e-01 1.744 -0.008 0.000 18.07 -C(-4) 3.478e-17 - CH4 3.478e-17 3.478e-17 -16.459 -16.459 0.000 (0) +C(-4) 4.211e-18 + CH4 4.211e-18 4.211e-18 -17.376 -17.376 0.000 (0) + CH3- 0.000e+00 0.000e+00 -55.984 -56.173 -0.189 (0) C(4) 1.683e-03 - HCO3- 1.244e-03 8.055e-04 -2.905 -3.094 -0.189 (0) - Na(HCO3) 1.579e-04 1.579e-04 -3.802 -3.802 0.000 (0) - CO2 1.154e-04 1.154e-04 -3.938 -3.938 0.000 (0) - Ca(HCO3)+ 8.642e-05 5.597e-05 -4.063 -4.252 -0.189 (0) - Mg(HCO3)+ 5.206e-05 3.372e-05 -4.283 -4.472 -0.189 (0) - Fe(CO3) 7.763e-06 7.763e-06 -5.110 -5.110 0.000 (0) - Na(CO3)- 6.015e-06 3.895e-06 -5.221 -5.409 -0.189 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - CO3-2 3.757e-06 6.001e-07 -5.425 -6.222 -0.797 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Sr(HCO3)+ 9.771e-07 6.327e-07 -6.010 -6.199 -0.189 (0) - FeHCO3+ 9.049e-07 5.860e-07 -6.043 -6.232 -0.189 (0) - FeCO3OH- 3.569e-08 2.311e-08 -7.447 -7.636 -0.189 (0) + HCO3- 1.249e-03 8.090e-04 -2.903 -3.092 -0.189 (0) + Na(HCO3) 1.586e-04 1.586e-04 -3.800 -3.800 0.000 (0) + CO2 1.158e-04 1.158e-04 -3.936 -3.936 0.000 (0) + Ca(HCO3)+ 8.628e-05 5.589e-05 -4.064 -4.253 -0.189 (0) + Mg(HCO3)+ 5.081e-05 3.291e-05 -4.294 -4.483 -0.189 (0) + Na(CO3)- 6.047e-06 3.917e-06 -5.218 -5.407 -0.189 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + FeCO3 3.890e-06 3.890e-06 -5.410 -5.410 0.000 (0) + CO3-2 3.774e-06 6.034e-07 -5.423 -6.219 -0.796 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Sr(HCO3)+ 9.756e-07 6.319e-07 -6.011 -6.199 -0.189 (0) Sr(CO3) 2.011e-08 2.011e-08 -7.697 -7.697 0.000 (0) - FeCO3OH 1.576e-09 1.576e-09 -8.802 -8.802 0.000 (0) - Fe(CO3)2-2 1.524e-09 2.681e-10 -8.817 -9.572 -0.755 (0) - Fe(CO3)3-3 5.479e-14 1.097e-15 -13.261 -14.960 -1.698 (0) - CO 3.010e-18 3.010e-18 -17.521 -17.521 0.000 (0) -Ca 3.154e-02 - Ca+2 2.624e-02 5.518e-03 -1.581 -2.258 -0.677 (0) + Fe(OH)CO3 1.995e-09 1.995e-09 -8.700 -8.700 0.000 (0) + Fe(CO3)2-2 7.853e-10 1.382e-10 -9.105 -9.859 -0.754 (0) + Fe(CO3)3-3 4.615e-14 9.264e-16 -13.336 -15.033 -1.697 (0) + CO 2.068e-18 2.068e-18 -17.685 -17.685 0.000 (0) +Ca 3.138e-02 + Ca+2 2.608e-02 5.488e-03 -1.584 -2.261 -0.677 (0) Ca(SO4) 5.208e-03 5.208e-03 -2.283 -2.283 0.000 (0) - Ca(HCO3)+ 8.642e-05 5.597e-05 -4.063 -4.252 -0.189 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - Ca(H3SiO4)+ 3.515e-08 2.277e-08 -7.454 -7.643 -0.189 (0) - Ca(OH)+ 2.210e-08 1.431e-08 -7.656 -7.844 -0.189 (0) - Ca(S2O3) 1.322e-15 1.322e-15 -14.879 -14.879 0.000 (0) -Cl 5.604e-01 - Cl- 5.552e-01 3.787e-01 -0.256 -0.422 -0.166 (0) - MgCl+ 4.998e-03 3.237e-03 -2.301 -2.490 -0.189 (0) - SrCl+ 5.154e-05 3.338e-05 -4.288 -4.477 -0.189 (0) - FeCl3- 2.320e-05 1.503e-05 -4.634 -4.823 -0.189 (0) - FeCl+ 2.132e-05 1.381e-05 -4.671 -4.860 -0.189 (0) - FeCl2 1.144e-06 1.144e-06 -5.942 -5.942 0.000 (0) - HCl 4.637e-09 4.637e-09 -8.334 -8.334 0.000 (0) - FeCl+2 1.580e-19 2.779e-20 -18.801 -19.556 -0.755 (0) - FeCl2+ 8.147e-20 5.276e-20 -19.089 -19.278 -0.189 (0) - FeCl3 2.141e-21 2.141e-21 -20.669 -20.669 0.000 (0) - FeCl4- 1.506e-23 9.750e-24 -22.822 -23.011 -0.189 (0) - Cl2 0.000e+00 0.000e+00 -53.946 -53.946 0.000 (0) - ClO4- 0.000e+00 0.000e+00 -154.326 -154.497 -0.171 (0) -Fe(2) 2.241e-04 - Fe+2 1.502e-04 2.641e-05 -3.823 -4.578 -0.755 (0) - FeCl3- 2.320e-05 1.503e-05 -4.634 -4.823 -0.189 (0) - FeCl+ 2.132e-05 1.381e-05 -4.671 -4.860 -0.189 (0) - Fe(SO4) 1.935e-05 1.935e-05 -4.713 -4.713 0.000 (0) - Fe(CO3) 7.763e-06 7.763e-06 -5.110 -5.110 0.000 (0) - FeCl2 1.144e-06 1.144e-06 -5.942 -5.942 0.000 (0) - FeHCO3+ 9.049e-07 5.860e-07 -6.043 -6.232 -0.189 (0) - Fe(OH)+ 2.015e-07 1.305e-07 -6.696 -6.884 -0.189 (0) - FeCO3OH- 3.569e-08 2.311e-08 -7.447 -7.636 -0.189 (0) - Fe(CO3)2-2 1.524e-09 2.681e-10 -8.817 -9.572 -0.755 (0) - Fe(HS)+ 1.227e-10 7.943e-11 -9.911 -10.100 -0.189 (0) - Fe(OH)2 1.620e-11 1.620e-11 -10.791 -10.791 0.000 (0) - Fe(HSO4)+ 1.391e-11 9.006e-12 -10.857 -11.045 -0.189 (0) - Fe(OH)3- 1.958e-15 1.268e-15 -14.708 -14.897 -0.189 (0) - Fe(HS)2 1.407e-18 1.407e-18 -17.852 -17.852 0.000 (0) - Fe(OH)4-2 8.950e-22 1.574e-22 -21.048 -21.803 -0.755 (0) -Fe(3) 1.582e-09 - FeCO3OH 1.576e-09 1.576e-09 -8.802 -8.802 0.000 (0) - Fe(OH)3 3.069e-12 3.069e-12 -11.513 -11.513 0.000 (0) - Fe(OH)2+ 2.355e-12 1.525e-12 -11.628 -11.817 -0.189 (0) - Fe(OH)4- 6.753e-14 4.373e-14 -13.171 -13.359 -0.189 (0) - Fe(CO3)3-3 5.479e-14 1.097e-15 -13.261 -14.960 -1.698 (0) - Fe(OH)+2 1.321e-15 2.947e-16 -14.879 -15.531 -0.652 (0) - Fe(H3SiO4)+2 1.061e-16 1.867e-17 -15.974 -16.729 -0.755 (0) - Fe(SO4)+ 2.625e-19 1.700e-19 -18.581 -18.770 -0.189 (0) - FeCl+2 1.580e-19 2.779e-20 -18.801 -19.556 -0.755 (0) - Fe+3 1.459e-19 2.922e-21 -18.836 -20.534 -1.698 (0) - FeCl2+ 8.147e-20 5.276e-20 -19.089 -19.278 -0.189 (0) - Fe(SO4)2- 2.421e-20 1.568e-20 -19.616 -19.805 -0.189 (0) - FeCl3 2.141e-21 2.141e-21 -20.669 -20.669 0.000 (0) - FeCl4- 1.506e-23 9.750e-24 -22.822 -23.011 -0.189 (0) - FeHSO4+2 1.423e-25 2.502e-26 -24.847 -25.602 -0.755 (0) - Fe2(OH)2+4 2.444e-27 2.338e-30 -26.612 -29.631 -3.019 (0) - FeS2O3+ 1.081e-31 6.998e-32 -30.966 -31.155 -0.189 (0) - Fe3(OH)4+5 3.888e-35 7.447e-40 -34.410 -39.128 -4.718 (0) -H(0) 5.119e-12 - H2 2.560e-12 2.560e-12 -11.592 -11.592 0.000 (0) + Ca(HCO3)+ 8.628e-05 5.589e-05 -4.064 -4.253 -0.189 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + Ca(H3SiO4)+ 3.499e-08 2.267e-08 -7.456 -7.645 -0.189 (0) + Ca(OH)+ 2.200e-08 1.425e-08 -7.658 -7.846 -0.189 (0) + Ca(S2O3) 8.402e-17 8.402e-17 -16.076 -16.076 0.000 (0) +Cl 5.587e-01 + Cl- 5.537e-01 3.777e-01 -0.257 -0.423 -0.166 (0) + MgCl+ 4.844e-03 3.137e-03 -2.315 -2.503 -0.189 (0) + FeCl+ 1.647e-04 1.308e-04 -3.783 -3.883 -0.100 (0) + SrCl+ 5.111e-05 3.311e-05 -4.291 -4.480 -0.189 (0) + FeCl2+ 1.541e-19 9.984e-20 -18.812 -19.001 -0.189 (0) + FeCl+2 1.325e-19 5.274e-20 -18.878 -19.278 -0.400 (0) + FeCl3 2.380e-21 2.380e-21 -20.624 -20.624 0.000 (0) + FeCl4- 1.388e-23 8.988e-24 -22.858 -23.046 -0.189 (0) + Cl2 0.000e+00 0.000e+00 -53.785 -53.785 0.000 (0) + ClO4- 0.000e+00 0.000e+00 -153.369 -153.540 -0.171 (0) +Fe(2) 3.717e-04 + FeCl+ 1.647e-04 1.308e-04 -3.783 -3.883 -0.100 (0) + Fe+2 1.584e-04 3.462e-05 -3.800 -4.461 -0.660 (0) + Fe(SO4) 4.432e-05 4.432e-05 -4.353 -4.353 0.000 (0) + FeCO3 3.890e-06 3.890e-06 -5.410 -5.410 0.000 (0) + Fe(OH)+ 4.702e-07 3.046e-07 -6.328 -6.516 -0.189 (0) + Fe(CO3)2-2 7.853e-10 1.382e-10 -9.105 -9.859 -0.754 (0) + Fe(HS)+ 3.549e-11 2.299e-11 -10.450 -10.639 -0.189 (0) + Fe(OH)2 1.225e-11 1.225e-11 -10.912 -10.912 0.000 (0) + Fe(OH)3- 2.958e-17 1.916e-17 -16.529 -16.718 -0.189 (0) + Fe(HS)2 8.986e-20 8.986e-20 -19.046 -19.046 0.000 (0) + Fe(OH)4-2 5.638e-22 9.926e-23 -21.249 -22.003 -0.754 (0) +Fe(3) 2.025e-09 + Fe(OH)CO3 1.995e-09 1.995e-09 -8.700 -8.700 0.000 (0) + Fe(OH)2+ 2.525e-11 1.635e-11 -10.598 -10.786 -0.189 (0) + Fe(OH)3 4.446e-12 4.446e-12 -11.352 -11.352 0.000 (0) + Fe(OH)4- 9.793e-14 6.343e-14 -13.009 -13.198 -0.189 (0) + Fe(CO3)3-3 4.615e-14 9.264e-16 -13.336 -15.033 -1.697 (0) + Fe(OH)+2 2.093e-15 4.670e-16 -14.679 -15.331 -0.651 (0) + Fe(H3SiO4)+2 1.532e-16 2.697e-17 -15.815 -16.569 -0.754 (0) + Fe(SO4)+ 5.380e-19 3.485e-19 -18.269 -18.458 -0.189 (0) + Fe(SO4)2- 2.334e-19 1.512e-19 -18.632 -18.821 -0.189 (0) + FeCl2+ 1.541e-19 9.984e-20 -18.812 -19.001 -0.189 (0) + FeCl+2 1.325e-19 5.274e-20 -18.878 -19.278 -0.400 (0) + Fe+3 7.971e-20 4.216e-21 -19.098 -20.375 -1.277 (0) + FeCl3 2.380e-21 2.380e-21 -20.624 -20.624 0.000 (0) + FeCl4- 1.388e-23 8.988e-24 -22.858 -23.046 -0.189 (0) + Fe2(OH)2+4 6.858e-27 6.585e-30 -26.164 -29.181 -3.018 (0) + FeS2O3+ 3.536e-32 2.291e-32 -31.451 -31.640 -0.189 (0) + Fe3(OH)4+5 1.167e-34 2.250e-39 -33.933 -38.648 -4.715 (0) +H(0) 3.504e-12 + H2 1.752e-12 1.752e-12 -11.756 -11.756 0.000 (0) K 2.240e-03 - K+ 2.240e-03 1.450e-03 -2.650 -2.838 -0.189 (0) -Mg 2.507e-02 - Mg+2 1.703e-02 3.817e-03 -1.769 -2.418 -0.649 (0) - MgCl+ 4.998e-03 3.237e-03 -2.301 -2.490 -0.189 (0) - Mg(SO4) 2.997e-03 2.997e-03 -2.523 -2.523 0.000 (0) - Mg(HCO3)+ 5.206e-05 3.372e-05 -4.283 -4.472 -0.189 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Mg(OH)+ 1.924e-07 1.246e-07 -6.716 -6.904 -0.189 (0) - Mg(H3SiO4)+ 4.324e-08 2.800e-08 -7.364 -7.553 -0.189 (0) - Mg(S2O3) 7.606e-16 7.606e-16 -15.119 -15.119 0.000 (0) - Mg4(OH)4+4 2.353e-18 2.250e-21 -17.628 -20.648 -3.019 (0) + K+ 2.240e-03 1.451e-03 -2.650 -2.838 -0.189 (0) +Mg 2.437e-02 + Mg+2 1.654e-02 3.710e-03 -1.781 -2.431 -0.649 (0) + MgCl+ 4.844e-03 3.137e-03 -2.315 -2.503 -0.189 (0) + Mg(SO4) 2.929e-03 2.929e-03 -2.533 -2.533 0.000 (0) + Mg(HCO3)+ 5.081e-05 3.291e-05 -4.294 -4.483 -0.189 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Mg(OH)+ 1.872e-07 1.213e-07 -6.728 -6.916 -0.189 (0) + Mg(H3SiO4)+ 4.207e-08 2.725e-08 -7.376 -7.565 -0.189 (0) + Mg(S2O3) 1.676e-16 1.676e-16 -15.776 -15.776 0.000 (0) + Mg4(OH)4+4 2.101e-18 2.018e-21 -17.677 -20.695 -3.018 (0) Na 5.225e-01 Na+ 5.224e-01 3.486e-01 -0.282 -0.458 -0.176 (0) - Na(HCO3) 1.579e-04 1.579e-04 -3.802 -3.802 0.000 (0) - Na(CO3)- 6.015e-06 3.895e-06 -5.221 -5.409 -0.189 (0) - Na(S2O3)- 6.613e-15 4.282e-15 -14.180 -14.368 -0.189 (0) -O(0) -3.009e-18 - CO 3.010e-18 3.010e-18 -17.521 -17.521 0.000 (0) - S2-2 1.007e-21 1.771e-22 -20.997 -21.752 -0.755 (0) - S3-2 3.029e-26 5.326e-27 -25.519 -26.274 -0.755 (0) - S4-2 7.229e-32 1.271e-32 -31.141 -31.896 -0.755 (0) - S4O6-2 1.049e-35 1.844e-36 -34.979 -35.734 -0.755 (0) - S5-2 1.041e-37 1.830e-38 -36.983 -37.738 -0.755 (0) - S3O6-2 0.000e+00 0.000e+00 -43.097 -43.852 -0.755 (0) - Cl2 0.000e+00 0.000e+00 -53.946 -53.946 0.000 (0) - S5O6-2 0.000e+00 0.000e+00 -56.261 -57.016 -0.755 (0) - HSO5- 0.000e+00 0.000e+00 -61.055 -61.244 -0.189 (0) - O2 0.000e+00 0.000e+00 -68.973 -68.973 0.000 (0) - S2O8-2 0.000e+00 0.000e+00 -75.188 -75.942 -0.755 (0) - ClO4- 0.000e+00 0.000e+00 -154.326 -154.497 -0.171 (0) -S(-2) 4.193e-10 - HS- 2.123e-10 1.375e-10 -9.673 -9.862 -0.189 (0) - Fe(HS)+ 1.227e-10 7.943e-11 -9.911 -10.100 -0.189 (0) - H2S 8.435e-11 8.435e-11 -10.074 -10.074 0.000 (0) - Fe(HS)2 1.407e-18 1.407e-18 -17.852 -17.852 0.000 (0) - S-2 9.890e-20 1.739e-20 -19.005 -19.760 -0.755 (0) - S2-2 1.007e-21 1.771e-22 -20.997 -21.752 -0.755 (0) - S3-2 3.029e-26 5.326e-27 -25.519 -26.274 -0.755 (0) - S4-2 7.229e-32 1.271e-32 -31.141 -31.896 -0.755 (0) - S5-2 1.041e-37 1.830e-38 -36.983 -37.738 -0.755 (0) -S(2) 5.172e-14 - S2O3-2 1.715e-14 3.016e-15 -13.766 -14.521 -0.755 (0) - Na(S2O3)- 6.613e-15 4.282e-15 -14.180 -14.368 -0.189 (0) - Ca(S2O3) 1.322e-15 1.322e-15 -14.879 -14.879 0.000 (0) - Mg(S2O3) 7.606e-16 7.606e-16 -15.119 -15.119 0.000 (0) - Sr(S2O3) 1.716e-17 1.716e-17 -16.765 -16.765 0.000 (0) - H(S2O3)- 1.534e-20 9.937e-21 -19.814 -20.003 -0.189 (0) - H2(S2O3) 2.484e-27 2.484e-27 -26.605 -26.605 0.000 (0) - FeS2O3+ 1.081e-31 6.998e-32 -30.966 -31.155 -0.189 (0) -S(3) 1.510e-33 - S2O4-2 7.550e-34 1.328e-34 -33.122 -33.877 -0.755 (0) - HS2O4- 4.071e-39 2.636e-39 -38.390 -38.579 -0.189 (0) - H2S2O4 0.000e+00 0.000e+00 -45.481 -45.481 0.000 (0) -S(4) 2.675e-14 - SO3-2 2.176e-14 3.476e-15 -13.662 -14.459 -0.797 (0) - H(SO3)- 4.985e-15 3.228e-15 -14.302 -14.491 -0.189 (0) - SO2 1.497e-20 1.497e-20 -19.825 -19.825 0.000 (0) - H2(SO3) 1.468e-20 1.468e-20 -19.833 -19.833 0.000 (0) - S2O5-2 1.955e-30 3.438e-31 -29.709 -30.464 -0.755 (0) - S4O6-2 1.049e-35 1.844e-36 -34.979 -35.734 -0.755 (0) - S3O6-2 0.000e+00 0.000e+00 -43.097 -43.852 -0.755 (0) - S5O6-2 0.000e+00 0.000e+00 -56.261 -57.016 -0.755 (0) -S(6) 3.864e-02 - SO4-2 3.037e-02 4.622e-03 -1.518 -2.335 -0.818 (0) + Na(HCO3) 1.586e-04 1.586e-04 -3.800 -3.800 0.000 (0) + Na(CO3)- 6.047e-06 3.917e-06 -5.218 -5.407 -0.189 (0) + Na(S2O3)- 1.500e-15 9.713e-16 -14.824 -15.013 -0.189 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -68.654 -68.654 0.000 (0) +S(-2) 1.009e-10 + HS- 4.685e-11 3.034e-11 -10.329 -10.518 -0.189 (0) + Fe(HS)+ 3.549e-11 2.299e-11 -10.450 -10.639 -0.189 (0) + H2S 1.860e-11 1.860e-11 -10.731 -10.731 0.000 (0) + Fe(HS)2 8.986e-20 8.986e-20 -19.046 -19.046 0.000 (0) + S-2 2.184e-20 3.844e-21 -19.661 -20.415 -0.754 (0) + S2-2 7.162e-23 1.261e-23 -22.145 -22.899 -0.754 (0) + S3-2 6.932e-28 1.220e-28 -27.159 -27.914 -0.754 (0) + S4-2 5.330e-34 9.383e-35 -33.273 -34.028 -0.754 (0) + S5-2 2.469e-40 0.000e+00 -39.607 -40.362 -0.754 (0) +S(2) 1.128e-14 + S2O3-2 3.885e-15 6.839e-16 -14.411 -15.165 -0.754 (0) + Na(S2O3)- 1.500e-15 9.713e-16 -14.824 -15.013 -0.189 (0) + Mg(S2O3) 1.676e-16 1.676e-16 -15.776 -15.776 0.000 (0) + Ca(S2O3) 8.402e-17 8.402e-17 -16.076 -16.076 0.000 (0) + Sr(S2O3) 3.870e-18 3.870e-18 -17.412 -17.412 0.000 (0) + H(S2O3)- 3.475e-21 2.251e-21 -20.459 -20.648 -0.189 (0) + H2(S2O3) 5.619e-28 5.619e-28 -27.250 -27.250 0.000 (0) + FeS2O3+ 3.536e-32 2.291e-32 -31.451 -31.640 -0.189 (0) +S(3) 4.882e-34 + S2O4-2 2.441e-34 4.297e-35 -33.612 -34.367 -0.754 (0) + HS2O4- 1.315e-39 8.521e-40 -38.881 -39.070 -0.189 (0) + H2S2O4 0.000e+00 0.000e+00 -45.972 -45.972 0.000 (0) +S(4) 1.840e-14 + SO3-2 1.497e-14 2.394e-15 -13.825 -14.621 -0.796 (0) + H(SO3)- 3.428e-15 2.221e-15 -14.465 -14.654 -0.189 (0) + SO2 1.028e-20 1.028e-20 -19.988 -19.988 0.000 (0) + H2(SO3) 1.009e-20 1.009e-20 -19.996 -19.996 0.000 (0) + S2O5-2 9.240e-31 1.627e-31 -30.034 -30.789 -0.754 (0) + S4O6-2 7.509e-37 1.322e-37 -36.124 -36.879 -0.754 (0) + S3O6-2 0.000e+00 0.000e+00 -43.750 -44.505 -0.754 (0) + S5O6-2 0.000e+00 0.000e+00 -57.889 -58.643 -0.754 (0) +S(6) 3.873e-02 + SO4-2 3.050e-02 4.648e-03 -1.516 -2.333 -0.817 (0) Ca(SO4) 5.208e-03 5.208e-03 -2.283 -2.283 0.000 (0) - Mg(SO4) 2.997e-03 2.997e-03 -2.523 -2.523 0.000 (0) + Mg(SO4) 2.929e-03 2.929e-03 -2.533 -2.533 0.000 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - Fe(SO4) 1.935e-05 1.935e-05 -4.713 -4.713 0.000 (0) - H(SO4)- 4.332e-08 2.772e-08 -7.363 -7.557 -0.194 (0) - Fe(HSO4)+ 1.391e-11 9.006e-12 -10.857 -11.045 -0.189 (0) - Fe(SO4)+ 2.625e-19 1.700e-19 -18.581 -18.770 -0.189 (0) - Fe(SO4)2- 2.421e-20 1.568e-20 -19.616 -19.805 -0.189 (0) - FeHSO4+2 1.423e-25 2.502e-26 -24.847 -25.602 -0.755 (0) - HSO5- 0.000e+00 0.000e+00 -61.055 -61.244 -0.189 (0) - S2O8-2 0.000e+00 0.000e+00 -75.188 -75.942 -0.755 (0) + Fe(SO4) 4.432e-05 4.432e-05 -4.353 -4.353 0.000 (0) + H(SO4)- 4.349e-08 2.784e-08 -7.362 -7.555 -0.194 (0) + Fe(SO4)+ 5.380e-19 3.485e-19 -18.269 -18.458 -0.189 (0) + Fe(SO4)2- 2.334e-19 1.512e-19 -18.632 -18.821 -0.189 (0) + HSO5- 0.000e+00 0.000e+00 -60.889 -61.077 -0.189 (0) + S2O8-2 0.000e+00 0.000e+00 -75.020 -75.774 -0.754 (0) Si 1.759e-04 H4(SiO4) 1.751e-04 1.751e-04 -3.757 -3.757 0.000 (0) - H3(SiO4)- 6.854e-07 4.031e-07 -6.164 -6.395 -0.230 (0) - Mg(H3SiO4)+ 4.324e-08 2.800e-08 -7.364 -7.553 -0.189 (0) - Ca(H3SiO4)+ 3.515e-08 2.277e-08 -7.454 -7.643 -0.189 (0) - Si2O2(OH)5- 2.677e-09 1.574e-09 -8.572 -8.803 -0.230 (0) - Si2O3(OH)4-2 2.150e-12 3.157e-13 -11.668 -12.501 -0.833 (0) - H2(SiO4)-2 2.064e-12 3.218e-13 -11.685 -12.492 -0.807 (0) - Si4O6(OH)6-2 3.679e-16 6.469e-17 -15.434 -16.189 -0.755 (0) - Fe(H3SiO4)+2 1.061e-16 1.867e-17 -15.974 -16.729 -0.755 (0) - Si3O6(OH)3-3 7.768e-18 1.152e-19 -17.110 -18.939 -1.829 (0) - Si3O5(OH)5-3 6.053e-18 8.974e-20 -17.218 -19.047 -1.829 (0) - Si4O8(OH)4-4 5.892e-23 4.122e-26 -22.230 -25.385 -3.155 (0) - Si4O7(OH)6-4 5.323e-23 5.091e-26 -22.274 -25.293 -3.019 (0) - Si6O15-6 5.511e-35 0.000e+00 -34.259 -41.052 -6.794 (0) -Sr 3.955e-04 - Sr+2 2.951e-04 5.189e-05 -3.530 -4.285 -0.755 (0) - SrCl+ 5.154e-05 3.338e-05 -4.288 -4.477 -0.189 (0) + H3(SiO4)- 6.861e-07 4.037e-07 -6.164 -6.394 -0.230 (0) + Mg(H3SiO4)+ 4.207e-08 2.725e-08 -7.376 -7.565 -0.189 (0) + Ca(H3SiO4)+ 3.499e-08 2.267e-08 -7.456 -7.645 -0.189 (0) + Si2O2(OH)5- 2.680e-09 1.576e-09 -8.572 -8.802 -0.230 (0) + Si2O3(OH)4-2 2.153e-12 3.165e-13 -11.667 -12.500 -0.833 (0) + H2(SiO4)-2 2.067e-12 3.226e-13 -11.685 -12.491 -0.807 (0) + Si4O6(OH)6-2 3.685e-16 6.487e-17 -15.434 -16.188 -0.754 (0) + Fe(H3SiO4)+2 1.532e-16 2.697e-17 -15.815 -16.569 -0.754 (0) + Si3O6(OH)3-3 7.781e-18 1.156e-19 -17.109 -18.937 -1.828 (0) + Si3O5(OH)5-3 6.063e-18 9.010e-20 -17.217 -19.045 -1.828 (0) + Si4O8(OH)4-4 5.899e-23 4.144e-26 -22.229 -25.383 -3.153 (0) + Si4O7(OH)6-4 5.329e-23 5.117e-26 -22.273 -25.291 -3.018 (0) + Si6O15-6 5.504e-35 0.000e+00 -34.259 -41.049 -6.790 (0) +Sr 3.932e-04 + Sr+2 2.932e-04 5.161e-05 -3.533 -4.287 -0.754 (0) + SrCl+ 5.111e-05 3.311e-05 -4.291 -4.480 -0.189 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - Sr(HCO3)+ 9.771e-07 6.327e-07 -6.010 -6.199 -0.189 (0) + Sr(HCO3)+ 9.756e-07 6.319e-07 -6.011 -6.199 -0.189 (0) Sr(CO3) 2.011e-08 2.011e-08 -7.697 -7.697 0.000 (0) - Sr(OH)+ 6.421e-11 4.158e-11 -10.192 -10.381 -0.189 (0) - Sr(S2O3) 1.716e-17 1.716e-17 -16.765 -16.765 0.000 (0) + Sr(OH)+ 6.393e-11 4.141e-11 -10.194 -10.383 -0.189 (0) + Sr(S2O3) 3.870e-18 3.870e-18 -17.412 -17.412 0.000 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - Acmite -0.60 0.32 0.92 NaFeSi2O6 - Afwillite -20.51 28.91 49.42 Ca3Si2O4(OH)6 + Acmite -0.41 0.48 0.89 NaFeSi2O6 + Afwillite -20.52 28.90 49.42 Ca3Si2O4(OH)6 Anhydrite -0.15 -4.59 -4.44 Ca(SO4) - Antarcticite -7.09 -3.15 3.94 CaCl2:6H2O - Antigorite -52.65 447.51 500.16 Mg48Si34O85(OH)62 + Antarcticite -7.10 -3.16 3.94 CaCl2:6H2O + Antigorite -52.92 446.97 499.89 Mg48Si34O85(OH)62 Aragonite -0.17 -8.48 -8.31 CaCO3 Arcanite -6.16 -8.01 -1.85 K2SO4 - Artinite -6.51 3.30 9.81 Mg2(CO3)(OH)2:3H2O + Artinite -6.53 3.28 9.81 Mg2(CO3)(OH)2:3H2O Bassanite -0.68 -4.60 -3.92 CaSO4:0.5H2O - Bischofite -7.77 -3.31 4.46 MgCl2:6H2O + Bischofite -7.79 -3.33 4.46 MgCl2:6H2O Bloedite -5.69 -8.04 -2.35 Na2Mg(SO4)2:4H2O - Brucite -5.13 11.97 17.10 Mg(OH)2 - Burkeite -12.87 -13.64 -0.77 Na6(CO3)(SO4)2 - C(cr) -5.47 48.36 53.83 C - C2SH(alpha) -15.01 20.53 35.54 Ca2(HSiO4)(OH) - C3FH6 -33.91 38.48 72.39 Ca3Fe2(OH)12 - C4FH13 -44.60 50.56 95.16 Ca4Fe2(OH)14:6H2O - Ca(s) -93.22 46.62 139.84 Ca - Ca(SO3)(s) -10.22 -16.72 -6.50 Ca(SO3) - Ca2Cl2(OH)2:H2O(s) -17.51 9.02 26.53 Ca2Cl2(OH)2:H2O - Ca2Fe2O5(s) -30.37 26.39 56.76 Ca2Fe2O5 - Ca4Cl2(OH)6:13H2O(s) -35.55 33.18 68.73 Ca4Cl2(OH)6:13H2O + Brucite -5.14 11.96 17.10 Mg(OH)2 + Burkeite -12.86 -13.63 -0.77 Na6(CO3)(SO4)2 + C(cr) -5.80 -37.95 -32.15 C + C2SH(alpha) -15.02 20.52 35.54 Ca2(HSiO4)(OH) + C3FH6 -33.53 38.80 72.33 Ca3Fe2(OH)12 + C4FH13 -44.20 50.88 95.08 Ca4Fe2(OH)14:6H2O + Ca(cr) -93.38 3.47 96.85 Ca + Ca(SO3)(s) -10.38 -16.88 -6.50 Ca(SO3) + Ca2Cl2(OH)2:H2O(s) -17.52 9.01 26.53 Ca2Cl2(OH)2:H2O + Ca2Fe2O5(s) -30.03 26.71 56.74 Ca2Fe2O5 + Ca4Cl2(OH)6:13H2O(s) -35.56 33.17 68.73 Ca4Cl2(OH)6:13H2O CaCl2:2H2O(cr) -11.07 -3.12 7.95 CaCl2:2H2O - CaCl2:4H2O(cr) -8.48 -3.13 5.35 CaCl2:4H2O + CaCl2:4H2O(cr) -8.49 -3.14 5.35 CaCl2:4H2O CaCl2:H2O(s) -10.96 -3.11 7.85 CaCl2:H2O CaCO3:H2O(s) -0.89 -8.49 -7.60 CaCO3:H2O - CaFe2O4(s) -6.98 14.26 21.24 CaFe2O4 + CaFe2O4(s) -6.66 14.58 21.24 CaFe2O4 Calcite 0.00 -8.48 -8.48 CaCO3 - CaMg3(CO3)4(s) -3.59 -34.40 -30.81 CaMg3(CO3)4 + CaMg3(CO3)4(s) -3.62 -34.43 -30.81 CaMg3(CO3)4 CaO(cr) -20.56 12.14 32.70 CaO - Carnallite -10.90 -6.57 4.33 KMgCl3:6H2O - Celestite -0.00 -6.62 -6.62 Sr(SO4) - CH4(g) -13.60 117.31 130.91 CH4 - Cl2(g) -52.72 -49.73 2.99 Cl2 - CO(g) -14.48 13.87 28.35 CO + Carnallite -10.92 -6.59 4.33 KMgCl3:6H2O + Celestite 0.00 -6.62 -6.62 Sr(SO4) + CH4(g) -14.26 -55.31 -41.05 CH4 + Chukanovite -3.72 -0.75 2.97 Fe2(OH)2CO3 + Cl2(g) -52.55 -6.57 45.98 Cl2 + CO(g) -14.64 -29.28 -14.64 CO CO2(g) -2.47 -20.62 -18.15 CO2 Cristobalite -0.58 -3.74 -3.16 SiO2 - Cronstedtite-Th 1.89 18.00 16.11 Fe4SiO5(OH)4 + Cronstedtite-Th 2.45 18.56 16.11 Fe4SiO5(OH)4 CSH0.8 -5.09 5.96 11.05 Ca0.8SiO2.8:1.54H2O CSH1.2 -8.49 10.81 19.30 Ca1.2SiO3.2:2.06H2O CSH1.6 -12.34 15.66 28.00 Ca1.6SiO3.6:2.58H2O - Dolomite 0.00 -17.12 -17.12 CaMg(CO3)2 - Epsonite -2.93 -4.81 -1.88 Mg(SO4):7H2O - Ettringite-Fe -30.06 24.49 54.55 Ca6Fe2(SO4)3(OH)12:26H2O - Fayalite -3.61 15.90 19.51 Fe2(SiO4) - Fe(OH)2(cr) -2.95 9.81 12.76 Fe(OH)2 - Fe(s) -14.55 44.30 58.85 Fe - FeO(s) -3.55 9.82 13.37 FeO - Ferrihydrite(am) -1.49 1.05 2.54 Fe(OH)3 - Ferrosilite -26.63 6.08 32.71 FeSiO3 - Ferryhydrite -0.14 1.05 1.19 Fe(OH)3 - FeS(am) -4.29 -7.24 -2.95 FeS - Foshagite -28.64 37.32 65.96 Ca4Si3O9(OH)2:0.5H2O + Dolomite 0.00 -17.13 -17.13 CaMg(CO3)2 + Epsonite -2.94 -4.82 -1.88 Mg(SO4):7H2O + Ettringite-Fe -29.75 24.80 54.55 Ca6Fe2(SO4)3(OH)12:26H2O + Fayalite -3.42 16.13 19.55 Fe2(SiO4) + Fe(alpha,cr) -14.62 1.27 15.89 Fe + Fe(OH)2(cr) -2.85 9.93 12.78 Fe(OH)2 + Fe0.932O(s) -3.66 9.85 13.51 Fe0.932O + Fe3O4(s) -0.22 12.38 12.60 Fe3O4 + FeO(s) -3.45 9.94 13.39 FeO + Ferrihydrite(am) -2.71 1.21 3.92 Fe(OH)3 + Ferrihydrite(cr) -0.01 1.21 1.22 Fe(OH)3 + Ferrihydrite(s) -1.57 1.21 2.78 Fe(OH)3 + Ferrosilite -26.51 6.20 32.71 FeSiO3 + FeS(am) -4.83 -7.78 -2.95 FeS + Foshagite -28.65 37.31 65.96 Ca4Si3O9(OH)2:0.5H2O Gaylussite -6.23 -15.66 -9.43 CaNa2(CO3)2:5H2O - Glaserite -19.68 -27.29 -7.61 Na2K6(SO4)4 + Glaserite -19.67 -27.28 -7.61 Na2K6(SO4)4 Glauberite -9.81 -7.84 1.97 Na2Ca(SO4)2 - Goethite 0.67 1.06 0.39 FeOOH - Greenalite 0.19 21.96 21.77 Fe3Si2O5(OH)4 + Goethite 1.05 1.22 0.17 FeOOH + GR-Cl -5.37 36.43 41.80 Fe3Fe(OH)8Cl + GR-CO3 -7.90 47.60 55.50 Fe4Fe2(OH)12CO3:2H2O + GR-SO4 -6.79 51.51 58.30 Fe4Fe2(OH)12SO4 + Greenalite 0.49 22.31 21.82 Fe3Si2O5(OH)4 + Greigite -17.34 -32.37 -15.03 Fe3S4 Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O Gyrolite -9.31 13.03 22.34 Ca2Si3O7.5(OH):2H2O - H2(g) -8.51 34.48 42.99 H2 - H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -9.06 -17.06 -8.00 H2S + H2(g) -8.68 -8.68 0.00 H2 + H2O(g) -1.50 -43.00 -41.50 H2O + H2S(g) -9.72 -17.72 -8.00 H2S Halite -2.47 -0.88 1.59 NaCl - HCl(g) -13.91 -7.62 6.29 HCl - Hematite 3.14 2.12 -1.02 Fe2O3 - Hexahydrite -3.16 -4.80 -1.64 Mg(SO4):6H2O - Hillebrandite -16.42 20.53 36.95 Ca2SiO3(OH)2:0.17H2O - Hydrophilite -14.87 -3.10 11.77 CaCl2 - Jaffeite -48.74 65.32 114.06 Ca6(Si2O7)(OH)6 - Jennite -60.62 86.71 147.33 Ca9Si6O16(OH)10:6(H2O) - K(cr) -49.38 21.60 70.99 K + HCl(g) -13.92 -7.63 6.29 HCl + Hematite(cr) 3.27 2.44 -0.83 Fe2O3 + Hematite(s) 2.54 2.44 -0.10 Fe2O3 + Hexahydrite -3.17 -4.81 -1.64 Mg(SO4):6H2O + Hillebrandite -16.43 20.52 36.95 Ca2SiO3(OH)2:0.17H2O + Hydrophilite -14.88 -3.11 11.77 CaCl2 + Jaffeite -48.75 65.31 114.06 Ca6(Si2O7)(OH)6 + Jennite -60.63 86.70 147.33 Ca9Si6O16(OH)10:6H2O + K(cr) -49.46 0.03 49.49 K K(OH)(s) -20.24 4.36 24.60 K(OH) K-carbonate -14.94 -11.91 3.03 K2CO3:1.5H2O - K-trona -16.70 -25.80 -9.10 K2NaH(CO3)2:2H2O + K-trona -16.69 -25.79 -9.10 K2NaH(CO3)2:2H2O K2CO3(cr) -17.31 -11.90 5.41 K2CO3 K2O(s) -75.39 8.72 84.11 K2O - Kainite -7.85 -8.04 -0.19 KMgCl(SO4):3H2O + Kainite -7.86 -8.05 -0.19 KMgCl(SO4):3H2O Kalicinite -6.20 -16.26 -10.06 KHCO3 - Lansfordite -3.64 -8.68 -5.04 Mg(CO3):5H2O - Lawrencite -14.31 -5.42 8.89 FeCl2 - Leonhardtite -3.90 -4.79 -0.89 MgSO4:4H2O - Leonite -8.82 -12.80 -3.98 K2Mg(SO4)2:4H2O - Lepidocrocite 0.31 1.06 0.75 FeOOH - Lizardite -4.66 28.44 33.10 Mg3Si2O5(OH)4 - Mackinawite -3.64 -7.24 -3.60 FeS - Maghemite(disord) -1.19 2.12 3.31 Fe2O3 - Maghemite(ord) -1.40 2.12 3.52 Fe2O3 - Magnesite(nat) 0.27 -8.64 -8.91 MgCO3 - Magnesite(syn) -0.54 -8.64 -8.10 Mg(CO3) - Magnetite 1.53 11.94 10.41 Fe3O4 - Melanterite -4.76 -6.97 -2.21 FeSO4:7H2O - Mercallite -10.98 -12.38 -1.40 KHSO4 - Mg(cr) -76.31 46.46 122.77 Mg - Mg(SO4)(s) -13.85 -4.75 9.10 Mg(SO4) - Mg(SO4):H2O(s) -4.64 -4.76 -0.12 Mg(SO4):H2O - Mg-oxychlorur -9.74 16.29 26.03 Mg2Cl(OH)3:4H2O - Mg5(CO3)4(OH)2:4H2O(s) -12.31 -22.62 -10.31 Mg5(CO3)4(OH)2:4H2O - MgCl2(s) -25.29 -3.26 22.03 MgCl2 - MgCl2:2H2O(s) -16.18 -3.28 12.90 MgCl2:2H2O - MgCl2:4H2O(s) -10.73 -3.29 7.44 MgCl2:4H2O - MgCl2:H2O(s) -19.49 -3.27 16.22 MgCl2:H2O - Minnesotaite -0.45 14.48 14.93 Fe3Si4O10(OH)2 + Lansfordite -3.65 -8.69 -5.04 Mg(CO3):5H2O + Lawrencite -14.24 -5.31 8.93 FeCl2 + Leonhardtite -3.91 -4.80 -0.89 MgSO4:4H2O + Leonite -8.83 -12.81 -3.98 K2Mg(SO4)2:4H2O + Lepidocrocite -0.64 1.22 1.86 FeOOH + Lizardite -4.68 28.40 33.08 Mg3Si2O5(OH)4 + Mackinawite -4.59 -7.78 -3.19 FeS + Maghemite -0.35 2.44 2.79 Fe2O3 + Magnesite(nat) 0.26 -8.65 -8.91 MgCO3 + Magnesite(syn) -0.55 -8.65 -8.10 Mg(CO3) + Magnetite 2.04 12.38 10.34 Fe3O4 + Melanterite -4.57 -6.85 -2.28 FeSO4:7H2O + Mercallite -10.97 -12.37 -1.40 KHSO4 + Mg(cr) -76.48 3.30 79.78 Mg + Mg(SO4)(s) -13.86 -4.76 9.10 Mg(SO4) + Mg(SO4):H2O(s) -4.65 -4.77 -0.12 Mg(SO4):H2O + Mg-oxychlorur -9.76 16.27 26.03 Mg2Cl(OH)3:4H2O + Mg5(CO3)4(OH)2:4H2O(s) -12.37 -22.68 -10.31 Mg5(CO3)4(OH)2:4H2O + MgCl2(s) -25.31 -3.28 22.03 MgCl2 + MgCl2:2H2O(s) -16.19 -3.29 12.90 MgCl2:2H2O + MgCl2:4H2O(s) -10.75 -3.31 7.44 MgCl2:4H2O + MgCl2:H2O(s) -19.50 -3.28 16.22 MgCl2:H2O + Minnesotaite -0.15 14.84 14.99 Fe3Si4O10(OH)2 Mirabilite -2.10 -3.33 -1.23 Na2SO4:10H2O - Monosulfate-Fe -32.21 33.84 66.05 Ca4Fe2(SO4)(OH)12:6H2O - Na(cr) -43.40 23.98 67.38 Na - Na2(CO3)(cr) -8.26 -7.14 1.12 Na2(CO3) - Na2CO3:7H2O(s) -6.74 -7.20 -0.46 Na2CO3:7H2O + Monosulfate-Fe -31.89 34.16 66.05 Ca4Fe2(SO4)(OH)12:6H2O + Na(cr) -43.48 2.41 45.89 Na + Na2(CO3)(cr) -8.25 -7.13 1.12 Na2(CO3) + Na2CO3:7H2O(s) -6.73 -7.19 -0.46 Na2CO3:7H2O Na2O(cr) -53.98 13.48 67.46 Na2O Nahcolite -3.14 -13.88 -10.74 Na(HCO3) Natron -6.39 -7.22 -0.83 Na2(CO3):10H2O Nesquehonite -3.57 -8.67 -5.10 Mg(CO3):3H2O - O2(g) -66.07 -68.97 -2.90 O2 + O2(g) -65.75 -68.65 -2.90 O2 Okenite -4.54 4.64 9.18 CaSi2O5:2H2O Pentahydrite -3.52 -4.80 -1.28 MgSO4:5H2O - Periclase -9.60 11.98 21.58 MgO + Periclase -9.61 11.97 21.58 MgO Picromerite -8.49 -12.82 -4.33 K2Mg(SO4)2:6H2O Pirssonite -6.72 -15.63 -8.91 Na2Ca(CO3)2:2H2O - Polyhalite -8.23 -21.97 -13.74 K2MgCa2(SO4)4:2H2O + Polyhalite -8.24 -21.98 -13.74 K2MgCa2(SO4)4:2H2O Portlandite -10.68 12.13 22.81 Ca(OH)2 - Pyrite 0.00 -58.78 -58.78 FeS2 - Pyrrhotite -1.82 -13.00 -11.18 Fe0.87S + Pyrite -0.00 -16.82 -16.82 FeS2 + Pyrrhotite -2.62 -7.94 -5.32 Fe0.87S Quartz 0.00 -3.74 -3.74 SiO2 - S(cr) -6.41 -51.54 -45.13 S - Si(cr) -83.94 65.23 149.17 Si - Siderite 0.00 -10.80 -10.80 Fe(CO3) + S(cr) -6.90 -9.04 -2.14 S + Schwertmannite(cr) -15.71 -6.99 8.72 Fe8O8(OH)6SO4 + Si(cr) -84.27 -21.08 63.19 Si + Siderite 0.00 -10.68 -10.68 Fe(CO3) SiO2(am) -1.03 -3.74 -2.71 SiO2 - SO2(g) -19.91 -28.85 -8.94 SO2 - Sr(cr) -97.18 44.60 141.78 Sr + SO2(g) -20.08 -29.02 -8.94 SO2 + Sr(cr) -97.35 1.44 98.79 Sr Sr(OH)2(s) -17.41 10.10 27.51 Sr(OH)2 - Sr(OH)2:8H2O(s) -14.28 10.04 24.32 Sr(OH)2:8H2O + Sr(OH)2:8H2O(s) -14.29 10.03 24.32 Sr(OH)2:8H2O Sr2SiO4(s) -26.77 16.48 43.25 Sr2SiO4 SrCl2(s) -13.25 -5.13 8.12 SrCl2 - SrCl2:2H2O(s) -8.61 -5.14 3.47 SrCl2:2H2O + SrCl2:2H2O(s) -8.62 -5.15 3.47 SrCl2:2H2O SrCl2:6H2O(s) -6.79 -5.18 1.61 SrCl2:6H2O SrCl2:H2O(s) -10.05 -5.14 4.91 SrCl2:H2O SrO(cr) -31.87 10.11 41.98 SrO - SrS(s) -21.62 -6.94 14.68 SrS + SrS(s) -22.28 -7.60 14.68 SrS SrSiO3(s) -6.79 6.37 13.16 SrSiO3 Strontianite -1.24 -10.51 -9.27 Sr(CO3) Sylvite -4.13 -3.26 0.87 KCl - Syngenite -5.21 -12.66 -7.45 K2Ca(SO4)2:6H2O - Tachyhydrite -27.10 -9.72 17.38 Mg2CaCl6:12H2O - Talc -3.98 20.96 24.94 Mg3Si4O10(OH)2 - Thermonatrite -7.63 -7.15 0.48 Na2(CO3):H2O - Thernardite -2.89 -3.25 -0.36 Na2SO4 + Syngenite -5.20 -12.65 -7.45 K2Ca(SO4)2:6H2O + Tachyhydrite -27.14 -9.76 17.38 Mg2CaCl6:12H2O + Talc -3.99 20.93 24.92 Mg3Si4O10(OH)2 + Thenardite -2.89 -3.25 -0.36 Na2SO4 + Thermonatrite -7.62 -7.14 0.48 Na2(CO3):H2O Tobermorite-11A -27.38 38.20 65.58 Ca5Si6O16.5(OH):5H2O - Tobermorite-14A -24.78 38.16 62.94 Ca5Si6O16.5(OH):10H2O - Troilite -1.93 -7.24 -5.31 FeS - Trona -9.66 -21.04 -11.38 Na3H(CO3)2:2H2O - Truscottite -37.02 40.06 77.08 Ca7Si12O29(OH)4:H2O + Tobermorite-14A -24.79 38.15 62.94 Ca5Si6O16.5(OH):10H2O + Troilite -3.79 -7.78 -3.99 FeS + Trona -9.65 -21.03 -11.38 Na3H(CO3)2:2H2O + Truscottite -37.03 40.05 77.08 Ca7Si12O29(OH)4:H2O Vaterite -0.58 -8.48 -7.90 CaCO3 - Xonotlite -40.96 50.38 91.34 Ca6Si6O17(OH)2 + Xonotlite -40.97 50.37 91.34 Ca6Si6O17(OH)2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1243,393 +1199,378 @@ Reaction 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.000e+00 9.963e-01 -3.711e-03 -Celestite -0.00 -6.62 -6.62 1.000e+00 1.000e+00 2.604e-05 -Dolomite 0.00 -17.12 -17.12 1.000e+00 1.002e+00 1.959e-03 -Gypsum 0.00 -4.61 -4.61 0.000e+00 4.970e-03 4.970e-03 -Pyrite 0.00 -58.78 -58.78 1.000e+00 1.000e+00 -6.592e-12 -Quartz 0.00 -3.74 -3.74 1.000e+00 1.000e+00 2.972e-05 -Siderite 0.00 -10.80 -10.80 1.000e+00 9.998e-01 -1.990e-04 +Calcite 0.00 -8.48 -8.48 1.000e+00 9.964e-01 -3.572e-03 +Celestite 0.00 -6.62 -6.62 1.000e+00 1.000e+00 2.672e-05 +Dolomite 0.00 -17.13 -17.13 1.000e+00 1.002e+00 1.954e-03 +Gypsum 0.00 -4.61 -4.61 0.000e+00 4.881e-03 4.881e-03 +Pyrite -0.00 -16.82 -16.82 1.000e+00 1.000e+00 1.732e-10 +Quartz -0.00 -3.74 -3.74 1.000e+00 1.000e+00 2.972e-05 +Siderite 0.00 -10.68 -10.68 1.000e+00 9.997e-01 -3.249e-04 -----------------------------Solution composition------------------------------ Elements Molality Moles C 1.785e-03 1.495e-03 - Ca 3.230e-02 2.705e-02 - Cl 5.966e-01 4.997e-01 - Fe 2.375e-04 1.990e-04 + Ca 3.212e-02 2.691e-02 + Cl 5.948e-01 4.983e-01 + Fe 3.878e-04 3.249e-04 K 2.385e-03 1.998e-03 - Mg 2.593e-02 2.172e-02 + Mg 2.519e-02 2.110e-02 Na 5.563e-01 4.660e-01 - S 3.909e-02 3.274e-02 - Si 1.754e-04 1.469e-04 - Sr 4.110e-04 3.443e-04 + S 3.919e-02 3.283e-02 + Si 1.754e-04 1.470e-04 + Sr 4.085e-04 3.422e-04 ----------------------------Description of solution---------------------------- - pH = 7.175 Charge balance - pe = -2.916 Adjusted to redox equilibrium + pH = 7.176 Charge balance + pe = -2.834 Adjusted to redox equilibrium Activity of water = 0.980 - Ionic strength (mol/kgw) = 7.296e-01 + Ionic strength (mol/kgw) = 7.277e-01 Mass of water (kg) = 8.377e-01 - Total alkalinity (eq/kg) = 1.683e-03 + Total alkalinity (eq/kg) = 1.679e-03 Total CO2 (mol/kg) = 1.785e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.055e-11 + Electrical balance (eq) = 2.871e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 23 + Iterations = 22 Gamma iterations = 8 - Osmotic coefficient = 0.91377 - Total H = 9.300204e+01 - Total O = 4.663598e+01 + Osmotic coefficient = 0.91375 + Total H = 9.299994e+01 + Total O = 4.663528e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 2.164e-07 1.467e-07 -6.665 -6.834 -0.169 (0) - H+ 8.805e-08 6.678e-08 -7.055 -7.175 -0.120 0.00 + OH- 2.166e-07 1.469e-07 -6.664 -6.833 -0.169 (0) + H+ 8.794e-08 6.668e-08 -7.056 -7.176 -0.120 0.00 H2O 5.551e+01 9.798e-01 1.744 -0.009 0.000 18.07 -C(-4) 3.621e-17 - CH4 3.621e-17 3.621e-17 -16.441 -16.441 0.000 (0) +C(-4) 4.384e-18 + CH4 4.384e-18 4.384e-18 -17.358 -17.358 0.000 (0) + CH3- 0.000e+00 0.000e+00 -55.991 -56.182 -0.191 (0) C(4) 1.785e-03 - HCO3- 1.306e-03 8.411e-04 -2.884 -3.075 -0.191 (0) - Na(HCO3) 1.750e-04 1.750e-04 -3.757 -3.757 0.000 (0) - CO2 1.283e-04 1.283e-04 -3.892 -3.892 0.000 (0) - Ca(HCO3)+ 9.240e-05 5.953e-05 -4.034 -4.225 -0.191 (0) - Mg(HCO3)+ 5.567e-05 3.586e-05 -4.254 -4.445 -0.191 (0) - Fe(CO3) 7.763e-06 7.763e-06 -5.110 -5.110 0.000 (0) - Na(CO3)- 6.301e-06 4.059e-06 -5.201 -5.392 -0.191 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - CO3-2 3.789e-06 5.891e-07 -5.421 -6.230 -0.808 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Sr(HCO3)+ 1.042e-06 6.714e-07 -5.982 -6.173 -0.191 (0) - FeHCO3+ 9.675e-07 6.233e-07 -6.014 -6.205 -0.191 (0) - FeCO3OH- 3.368e-08 2.170e-08 -7.473 -7.664 -0.191 (0) + HCO3- 1.311e-03 8.448e-04 -2.882 -3.073 -0.191 (0) + Na(HCO3) 1.758e-04 1.758e-04 -3.755 -3.755 0.000 (0) + CO2 1.287e-04 1.287e-04 -3.890 -3.890 0.000 (0) + Ca(HCO3)+ 9.223e-05 5.943e-05 -4.035 -4.226 -0.191 (0) + Mg(HCO3)+ 5.431e-05 3.500e-05 -4.265 -4.456 -0.191 (0) + Na(CO3)- 6.336e-06 4.083e-06 -5.198 -5.389 -0.191 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + FeCO3 3.890e-06 3.890e-06 -5.410 -5.410 0.000 (0) + CO3-2 3.807e-06 5.925e-07 -5.419 -6.227 -0.808 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Sr(HCO3)+ 1.040e-06 6.704e-07 -5.983 -6.174 -0.191 (0) Sr(CO3) 2.006e-08 2.006e-08 -7.698 -7.698 0.000 (0) - FeCO3OH 1.588e-09 1.588e-09 -8.799 -8.799 0.000 (0) - Fe(CO3)2-2 1.528e-09 2.631e-10 -8.816 -9.580 -0.764 (0) - Fe(CO3)3-3 5.935e-14 1.134e-15 -13.227 -14.945 -1.719 (0) - CO 3.295e-18 3.295e-18 -17.482 -17.482 0.000 (0) -Ca 3.230e-02 - Ca+2 2.698e-02 5.622e-03 -1.569 -2.250 -0.681 (0) - Ca(SO4) 5.221e-03 5.221e-03 -2.282 -2.282 0.000 (0) - Ca(HCO3)+ 9.240e-05 5.953e-05 -4.034 -4.225 -0.191 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - Ca(H3SiO4)+ 3.376e-08 2.175e-08 -7.472 -7.663 -0.191 (0) - Ca(OH)+ 2.125e-08 1.369e-08 -7.673 -7.864 -0.191 (0) - Ca(S2O3) 1.386e-15 1.386e-15 -14.858 -14.858 0.000 (0) -Cl 5.966e-01 - Cl- 5.910e-01 4.021e-01 -0.228 -0.396 -0.167 (0) - MgCl+ 5.434e-03 3.501e-03 -2.265 -2.456 -0.191 (0) - SrCl+ 5.591e-05 3.602e-05 -4.253 -4.444 -0.191 (0) - FeCl3- 2.844e-05 1.832e-05 -4.546 -4.737 -0.191 (0) - FeCl+ 2.318e-05 1.494e-05 -4.635 -4.826 -0.191 (0) - FeCl2 1.314e-06 1.314e-06 -5.881 -5.881 0.000 (0) - HCl 5.237e-09 5.237e-09 -8.281 -8.281 0.000 (0) - FeCl+2 1.872e-19 3.225e-20 -18.728 -19.491 -0.764 (0) - FeCl2+ 1.009e-19 6.500e-20 -18.996 -19.187 -0.191 (0) - FeCl3 2.801e-21 2.801e-21 -20.553 -20.553 0.000 (0) - FeCl4- 2.102e-23 1.354e-23 -22.677 -22.868 -0.191 (0) - Cl2 0.000e+00 0.000e+00 -53.833 -53.833 0.000 (0) - ClO4- 0.000e+00 0.000e+00 -154.271 -154.444 -0.172 (0) -Fe(2) 2.375e-04 - Fe+2 1.562e-04 2.691e-05 -3.806 -4.570 -0.764 (0) - FeCl3- 2.844e-05 1.832e-05 -4.546 -4.737 -0.191 (0) - FeCl+ 2.318e-05 1.494e-05 -4.635 -4.826 -0.191 (0) - Fe(SO4) 1.940e-05 1.940e-05 -4.712 -4.712 0.000 (0) - Fe(CO3) 7.763e-06 7.763e-06 -5.110 -5.110 0.000 (0) - FeCl2 1.314e-06 1.314e-06 -5.881 -5.881 0.000 (0) - FeHCO3+ 9.675e-07 6.233e-07 -6.014 -6.205 -0.191 (0) - Fe(OH)+ 1.938e-07 1.248e-07 -6.713 -6.904 -0.191 (0) - FeCO3OH- 3.368e-08 2.170e-08 -7.473 -7.664 -0.191 (0) - Fe(CO3)2-2 1.528e-09 2.631e-10 -8.816 -9.580 -0.764 (0) - Fe(HS)+ 1.234e-10 7.949e-11 -9.909 -10.100 -0.191 (0) - Fe(HSO4)+ 1.491e-11 9.603e-12 -10.827 -11.018 -0.191 (0) - Fe(OH)2 1.455e-11 1.455e-11 -10.837 -10.837 0.000 (0) - Fe(OH)3- 1.660e-15 1.070e-15 -14.780 -14.971 -0.191 (0) - Fe(HS)2 1.383e-18 1.383e-18 -17.859 -17.859 0.000 (0) - Fe(OH)4-2 7.237e-22 1.246e-22 -21.140 -21.904 -0.764 (0) -Fe(3) 1.593e-09 - FeCO3OH 1.588e-09 1.588e-09 -8.799 -8.799 0.000 (0) - Fe(OH)3 2.777e-12 2.777e-12 -11.556 -11.556 0.000 (0) - Fe(OH)2+ 2.281e-12 1.469e-12 -11.642 -11.833 -0.191 (0) - Fe(CO3)3-3 5.935e-14 1.134e-15 -13.227 -14.945 -1.719 (0) - Fe(OH)4- 5.767e-14 3.715e-14 -13.239 -13.430 -0.191 (0) - Fe(OH)+2 1.363e-15 3.024e-16 -14.865 -15.519 -0.654 (0) - Fe(H3SiO4)+2 1.111e-16 1.913e-17 -15.954 -16.718 -0.764 (0) - Fe(SO4)+ 2.838e-19 1.828e-19 -18.547 -18.738 -0.191 (0) - FeCl+2 1.872e-19 3.225e-20 -18.728 -19.491 -0.764 (0) - Fe+3 1.671e-19 3.193e-21 -18.777 -20.496 -1.719 (0) - FeCl2+ 1.009e-19 6.500e-20 -18.996 -19.187 -0.191 (0) - Fe(SO4)2- 2.576e-20 1.659e-20 -19.589 -19.780 -0.191 (0) - FeCl3 2.801e-21 2.801e-21 -20.553 -20.553 0.000 (0) - FeCl4- 2.102e-23 1.354e-23 -22.677 -22.868 -0.191 (0) - FeHSO4+2 1.662e-25 2.862e-26 -24.779 -25.543 -0.764 (0) - Fe2(OH)2+4 2.797e-27 2.462e-30 -26.553 -29.609 -3.055 (0) - FeS2O3+ 1.222e-31 7.874e-32 -30.913 -31.104 -0.191 (0) - Fe3(OH)4+5 4.493e-35 7.557e-40 -34.347 -39.122 -4.774 (0) -H(0) 5.033e-12 - H2 2.516e-12 2.516e-12 -11.599 -11.599 0.000 (0) + Fe(OH)CO3 2.009e-09 2.009e-09 -8.697 -8.697 0.000 (0) + Fe(CO3)2-2 7.873e-10 1.357e-10 -9.104 -9.867 -0.763 (0) + Fe(CO3)3-3 5.001e-14 9.580e-16 -13.301 -15.019 -1.718 (0) + CO 2.263e-18 2.263e-18 -17.645 -17.645 0.000 (0) +Ca 3.212e-02 + Ca+2 2.681e-02 5.589e-03 -1.572 -2.253 -0.681 (0) + Ca(SO4) 5.220e-03 5.220e-03 -2.282 -2.282 0.000 (0) + Ca(HCO3)+ 9.223e-05 5.943e-05 -4.035 -4.226 -0.191 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + Ca(H3SiO4)+ 3.361e-08 2.166e-08 -7.474 -7.664 -0.191 (0) + Ca(OH)+ 2.115e-08 1.363e-08 -7.675 -7.866 -0.191 (0) + Ca(S2O3) 8.811e-17 8.811e-17 -16.055 -16.055 0.000 (0) +Cl 5.948e-01 + Cl- 5.893e-01 4.011e-01 -0.230 -0.397 -0.167 (0) + MgCl+ 5.265e-03 3.392e-03 -2.279 -2.469 -0.191 (0) + FeCl+ 1.766e-04 1.414e-04 -3.753 -3.849 -0.097 (0) + SrCl+ 5.542e-05 3.571e-05 -4.256 -4.447 -0.191 (0) + FeCl2+ 1.908e-19 1.229e-19 -18.719 -18.910 -0.191 (0) + FeCl+2 1.488e-19 6.116e-20 -18.827 -19.214 -0.386 (0) + FeCl3 3.111e-21 3.111e-21 -20.507 -20.507 0.000 (0) + FeCl4- 1.936e-23 1.248e-23 -22.713 -22.904 -0.191 (0) + Cl2 0.000e+00 0.000e+00 -53.672 -53.672 0.000 (0) + ClO4- 0.000e+00 0.000e+00 -153.314 -153.487 -0.172 (0) +Fe(2) 3.878e-04 + FeCl+ 1.766e-04 1.414e-04 -3.753 -3.849 -0.097 (0) + Fe+2 1.624e-04 3.526e-05 -3.789 -4.453 -0.663 (0) + Fe(SO4) 4.443e-05 4.443e-05 -4.352 -4.352 0.000 (0) + FeCO3 3.890e-06 3.890e-06 -5.410 -5.410 0.000 (0) + Fe(OH)+ 4.521e-07 2.913e-07 -6.345 -6.536 -0.191 (0) + Fe(CO3)2-2 7.873e-10 1.357e-10 -9.104 -9.867 -0.763 (0) + Fe(HS)+ 3.569e-11 2.300e-11 -10.447 -10.638 -0.191 (0) + Fe(OH)2 1.100e-11 1.100e-11 -10.958 -10.958 0.000 (0) + Fe(OH)3- 2.509e-17 1.617e-17 -16.600 -16.791 -0.191 (0) + Fe(HS)2 8.834e-20 8.834e-20 -19.054 -19.054 0.000 (0) + Fe(OH)4-2 4.563e-22 7.866e-23 -21.341 -22.104 -0.763 (0) +Fe(3) 2.038e-09 + Fe(OH)CO3 2.009e-09 2.009e-09 -8.697 -8.697 0.000 (0) + Fe(OH)2+ 2.445e-11 1.576e-11 -10.612 -10.803 -0.191 (0) + Fe(OH)3 4.024e-12 4.024e-12 -11.395 -11.395 0.000 (0) + Fe(OH)4- 8.367e-14 5.392e-14 -13.077 -13.268 -0.191 (0) + Fe(CO3)3-3 5.001e-14 9.580e-16 -13.301 -15.019 -1.718 (0) + Fe(OH)+2 2.159e-15 4.790e-16 -14.666 -15.320 -0.654 (0) + Fe(H3SiO4)+2 1.603e-16 2.764e-17 -15.795 -16.558 -0.763 (0) + Fe(SO4)+ 5.815e-19 3.747e-19 -18.235 -18.426 -0.191 (0) + Fe(SO4)2- 2.483e-19 1.600e-19 -18.605 -18.796 -0.191 (0) + FeCl2+ 1.908e-19 1.229e-19 -18.719 -18.910 -0.191 (0) + FeCl+2 1.488e-19 6.116e-20 -18.827 -19.214 -0.386 (0) + Fe+3 8.572e-20 4.605e-21 -19.067 -20.337 -1.270 (0) + FeCl3 3.111e-21 3.111e-21 -20.507 -20.507 0.000 (0) + FeCl4- 1.936e-23 1.248e-23 -22.713 -22.904 -0.191 (0) + Fe2(OH)2+4 7.843e-27 6.930e-30 -26.106 -29.159 -3.054 (0) + FeS2O3+ 3.998e-32 2.576e-32 -31.398 -31.589 -0.191 (0) + Fe3(OH)4+5 1.348e-34 2.281e-39 -33.870 -38.642 -4.771 (0) +H(0) 3.445e-12 + H2 1.722e-12 1.722e-12 -11.764 -11.764 0.000 (0) K 2.385e-03 - K+ 2.385e-03 1.536e-03 -2.623 -2.814 -0.191 (0) -Mg 2.593e-02 - Mg+2 1.743e-02 3.889e-03 -1.759 -2.410 -0.652 (0) - MgCl+ 5.434e-03 3.501e-03 -2.265 -2.456 -0.191 (0) - Mg(SO4) 3.004e-03 3.004e-03 -2.522 -2.522 0.000 (0) - Mg(HCO3)+ 5.567e-05 3.586e-05 -4.254 -4.445 -0.191 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Mg(OH)+ 1.850e-07 1.192e-07 -6.733 -6.924 -0.191 (0) - Mg(H3SiO4)+ 4.153e-08 2.675e-08 -7.382 -7.573 -0.191 (0) - Mg(S2O3) 7.976e-16 7.976e-16 -15.098 -15.098 0.000 (0) - Mg4(OH)4+4 2.140e-18 1.884e-21 -17.669 -20.725 -3.055 (0) + K+ 2.385e-03 1.537e-03 -2.623 -2.813 -0.191 (0) +Mg 2.519e-02 + Mg+2 1.693e-02 3.778e-03 -1.771 -2.423 -0.651 (0) + MgCl+ 5.265e-03 3.392e-03 -2.279 -2.469 -0.191 (0) + Mg(SO4) 2.936e-03 2.936e-03 -2.532 -2.532 0.000 (0) + Mg(HCO3)+ 5.431e-05 3.500e-05 -4.265 -4.456 -0.191 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Mg(OH)+ 1.800e-07 1.160e-07 -6.745 -6.936 -0.191 (0) + Mg(H3SiO4)+ 4.040e-08 2.604e-08 -7.394 -7.584 -0.191 (0) + Mg(S2O3) 1.758e-16 1.758e-16 -15.755 -15.755 0.000 (0) + Mg4(OH)4+4 1.912e-18 1.689e-21 -17.719 -20.772 -3.054 (0) Na 5.563e-01 - Na+ 5.561e-01 3.700e-01 -0.255 -0.432 -0.177 (0) - Na(HCO3) 1.750e-04 1.750e-04 -3.757 -3.757 0.000 (0) - Na(CO3)- 6.301e-06 4.059e-06 -5.201 -5.392 -0.191 (0) - Na(S2O3)- 7.264e-15 4.680e-15 -14.139 -14.330 -0.191 (0) -O(0) -3.294e-18 - CO 3.295e-18 3.295e-18 -17.482 -17.482 0.000 (0) - S2-2 1.009e-21 1.738e-22 -20.996 -21.760 -0.764 (0) - S3-2 3.227e-26 5.557e-27 -25.491 -26.255 -0.764 (0) - S4-2 8.186e-32 1.410e-32 -31.087 -31.851 -0.764 (0) - S4O6-2 1.306e-35 2.250e-36 -34.884 -35.648 -0.764 (0) - S5-2 1.252e-37 2.157e-38 -36.902 -37.666 -0.764 (0) - S3O6-2 0.000e+00 0.000e+00 -43.029 -43.792 -0.764 (0) - Cl2 0.000e+00 0.000e+00 -53.833 -53.833 0.000 (0) - S5O6-2 0.000e+00 0.000e+00 -56.140 -56.903 -0.764 (0) - HSO5- 0.000e+00 0.000e+00 -61.026 -61.217 -0.191 (0) - O2 0.000e+00 0.000e+00 -68.959 -68.959 0.000 (0) - S2O8-2 0.000e+00 0.000e+00 -75.132 -75.895 -0.764 (0) - ClO4- 0.000e+00 0.000e+00 -154.271 -154.444 -0.172 (0) -S(-2) 4.211e-10 - HS- 2.096e-10 1.350e-10 -9.679 -9.870 -0.191 (0) - Fe(HS)+ 1.234e-10 7.949e-11 -9.909 -10.100 -0.191 (0) - H2S 8.813e-11 8.813e-11 -10.055 -10.055 0.000 (0) - Fe(HS)2 1.383e-18 1.383e-18 -17.859 -17.859 0.000 (0) - S-2 9.326e-20 1.606e-20 -19.030 -19.794 -0.764 (0) - S2-2 1.009e-21 1.738e-22 -20.996 -21.760 -0.764 (0) - S3-2 3.227e-26 5.557e-27 -25.491 -26.255 -0.764 (0) - S4-2 8.186e-32 1.410e-32 -31.087 -31.851 -0.764 (0) - S5-2 1.252e-37 2.157e-38 -36.902 -37.666 -0.764 (0) -S(2) 5.498e-14 - S2O3-2 1.802e-14 3.105e-15 -13.744 -14.508 -0.764 (0) - Na(S2O3)- 7.264e-15 4.680e-15 -14.139 -14.330 -0.191 (0) - Ca(S2O3) 1.386e-15 1.386e-15 -14.858 -14.858 0.000 (0) - Mg(S2O3) 7.976e-16 7.976e-16 -15.098 -15.098 0.000 (0) - Sr(S2O3) 1.795e-17 1.795e-17 -16.746 -16.746 0.000 (0) - H(S2O3)- 1.689e-20 1.088e-20 -19.772 -19.963 -0.191 (0) - H2(S2O3) 2.893e-27 2.893e-27 -26.539 -26.539 0.000 (0) - FeS2O3+ 1.222e-31 7.874e-32 -30.913 -31.104 -0.191 (0) -S(3) 1.613e-33 - S2O4-2 8.063e-34 1.389e-34 -33.094 -33.857 -0.764 (0) - HS2O4- 4.553e-39 2.933e-39 -38.342 -38.533 -0.191 (0) - H2S2O4 0.000e+00 0.000e+00 -45.408 -45.408 0.000 (0) -S(4) 2.682e-14 - SO3-2 2.166e-14 3.367e-15 -13.664 -14.473 -0.808 (0) - H(SO3)- 5.163e-15 3.326e-15 -14.287 -14.478 -0.191 (0) - SO2 1.642e-20 1.642e-20 -19.785 -19.785 0.000 (0) - H2(SO3) 1.609e-20 1.609e-20 -19.793 -19.793 0.000 (0) - S2O5-2 2.121e-30 3.654e-31 -29.673 -30.437 -0.764 (0) - S4O6-2 1.306e-35 2.250e-36 -34.884 -35.648 -0.764 (0) - S3O6-2 0.000e+00 0.000e+00 -43.029 -43.792 -0.764 (0) - S5O6-2 0.000e+00 0.000e+00 -56.140 -56.903 -0.764 (0) -S(6) 3.909e-02 - SO4-2 3.080e-02 4.549e-03 -1.512 -2.342 -0.831 (0) - Ca(SO4) 5.221e-03 5.221e-03 -2.282 -2.282 0.000 (0) - Mg(SO4) 3.004e-03 3.004e-03 -2.522 -2.522 0.000 (0) + Na+ 5.561e-01 3.701e-01 -0.255 -0.432 -0.177 (0) + Na(HCO3) 1.758e-04 1.758e-04 -3.755 -3.755 0.000 (0) + Na(CO3)- 6.336e-06 4.083e-06 -5.198 -5.389 -0.191 (0) + Na(S2O3)- 1.648e-15 1.062e-15 -14.783 -14.974 -0.191 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -68.640 -68.640 0.000 (0) +S(-2) 1.014e-10 + HS- 4.627e-11 2.981e-11 -10.335 -10.526 -0.191 (0) + Fe(HS)+ 3.569e-11 2.300e-11 -10.447 -10.638 -0.191 (0) + H2S 1.943e-11 1.943e-11 -10.712 -10.712 0.000 (0) + Fe(HS)2 8.834e-20 8.834e-20 -19.054 -19.054 0.000 (0) + S-2 2.060e-20 3.551e-21 -19.686 -20.450 -0.763 (0) + S2-2 7.180e-23 1.238e-23 -22.144 -22.907 -0.763 (0) + S3-2 7.387e-28 1.274e-28 -27.132 -27.895 -0.763 (0) + S4-2 6.036e-34 1.041e-34 -33.219 -33.983 -0.763 (0) + S5-2 2.972e-40 0.000e+00 -39.527 -40.290 -0.763 (0) +S(2) 1.200e-14 + S2O3-2 4.085e-15 7.042e-16 -14.389 -15.152 -0.763 (0) + Na(S2O3)- 1.648e-15 1.062e-15 -14.783 -14.974 -0.191 (0) + Mg(S2O3) 1.758e-16 1.758e-16 -15.755 -15.755 0.000 (0) + Ca(S2O3) 8.811e-17 8.811e-17 -16.055 -16.055 0.000 (0) + Sr(S2O3) 4.049e-18 4.049e-18 -17.393 -17.393 0.000 (0) + H(S2O3)- 3.825e-21 2.465e-21 -20.417 -20.608 -0.191 (0) + H2(S2O3) 6.543e-28 6.543e-28 -27.184 -27.184 0.000 (0) + FeS2O3+ 3.998e-32 2.576e-32 -31.398 -31.589 -0.191 (0) +S(3) 5.214e-34 + S2O4-2 2.607e-34 4.495e-35 -33.584 -34.347 -0.763 (0) + HS2O4- 1.471e-39 9.479e-40 -38.832 -39.023 -0.191 (0) + H2S2O4 0.000e+00 0.000e+00 -45.899 -45.899 0.000 (0) +S(4) 1.846e-14 + SO3-2 1.491e-14 2.320e-15 -13.827 -14.635 -0.808 (0) + H(SO3)- 3.551e-15 2.288e-15 -14.450 -14.641 -0.191 (0) + SO2 1.128e-20 1.128e-20 -19.948 -19.948 0.000 (0) + H2(SO3) 1.105e-20 1.105e-20 -19.957 -19.957 0.000 (0) + S2O5-2 1.003e-30 1.729e-31 -29.999 -30.762 -0.763 (0) + S4O6-2 9.350e-37 1.612e-37 -36.029 -36.793 -0.763 (0) + S3O6-2 0.000e+00 0.000e+00 -43.682 -44.445 -0.763 (0) + S5O6-2 0.000e+00 0.000e+00 -57.767 -58.530 -0.763 (0) +S(6) 3.919e-02 + SO4-2 3.094e-02 4.575e-03 -1.509 -2.340 -0.830 (0) + Ca(SO4) 5.220e-03 5.220e-03 -2.282 -2.282 0.000 (0) + Mg(SO4) 2.936e-03 2.936e-03 -2.532 -2.532 0.000 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - Fe(SO4) 1.940e-05 1.940e-05 -4.712 -4.712 0.000 (0) - H(SO4)- 4.561e-08 2.901e-08 -7.341 -7.537 -0.197 (0) - Fe(HSO4)+ 1.491e-11 9.603e-12 -10.827 -11.018 -0.191 (0) - Fe(SO4)+ 2.838e-19 1.828e-19 -18.547 -18.738 -0.191 (0) - Fe(SO4)2- 2.576e-20 1.659e-20 -19.589 -19.780 -0.191 (0) - FeHSO4+2 1.662e-25 2.862e-26 -24.779 -25.543 -0.764 (0) - HSO5- 0.000e+00 0.000e+00 -61.026 -61.217 -0.191 (0) - S2O8-2 0.000e+00 0.000e+00 -75.132 -75.895 -0.764 (0) + Fe(SO4) 4.443e-05 4.443e-05 -4.352 -4.352 0.000 (0) + H(SO4)- 4.580e-08 2.914e-08 -7.339 -7.536 -0.196 (0) + Fe(SO4)+ 5.815e-19 3.747e-19 -18.235 -18.426 -0.191 (0) + Fe(SO4)2- 2.483e-19 1.600e-19 -18.605 -18.796 -0.191 (0) + HSO5- 0.000e+00 0.000e+00 -60.860 -61.051 -0.191 (0) + S2O8-2 0.000e+00 0.000e+00 -74.964 -75.727 -0.763 (0) Si 1.754e-04 H4(SiO4) 1.747e-04 1.747e-04 -3.758 -3.758 0.000 (0) - H3(SiO4)- 6.502e-07 3.781e-07 -6.187 -6.422 -0.235 (0) - Mg(H3SiO4)+ 4.153e-08 2.675e-08 -7.382 -7.573 -0.191 (0) - Ca(H3SiO4)+ 3.376e-08 2.175e-08 -7.472 -7.663 -0.191 (0) - Si2O2(OH)5- 2.536e-09 1.475e-09 -8.596 -8.831 -0.235 (0) - Si2O3(OH)4-2 1.956e-12 2.780e-13 -11.709 -12.556 -0.847 (0) - H2(SiO4)-2 1.872e-12 2.837e-13 -11.728 -12.547 -0.819 (0) - Si4O6(OH)6-2 3.304e-16 5.690e-17 -15.481 -16.245 -0.764 (0) - Fe(H3SiO4)+2 1.111e-16 1.913e-17 -15.954 -16.718 -0.764 (0) - Si3O6(OH)3-3 6.872e-18 9.535e-20 -17.163 -19.021 -1.858 (0) - Si3O5(OH)5-3 5.348e-18 7.421e-20 -17.272 -19.130 -1.858 (0) - Si4O8(OH)4-4 5.080e-23 3.205e-26 -22.294 -25.494 -3.200 (0) - Si4O7(OH)6-4 4.491e-23 3.953e-26 -22.348 -25.403 -3.055 (0) - Si6O15-6 4.572e-35 0.000e+00 -34.340 -41.215 -6.875 (0) -Sr 4.110e-04 - Sr+2 3.062e-04 5.274e-05 -3.514 -4.278 -0.764 (0) - SrCl+ 5.591e-05 3.602e-05 -4.253 -4.444 -0.191 (0) + H3(SiO4)- 6.510e-07 3.787e-07 -6.186 -6.422 -0.235 (0) + Mg(H3SiO4)+ 4.040e-08 2.604e-08 -7.394 -7.584 -0.191 (0) + Ca(H3SiO4)+ 3.361e-08 2.166e-08 -7.474 -7.664 -0.191 (0) + Si2O2(OH)5- 2.540e-09 1.477e-09 -8.595 -8.831 -0.235 (0) + Si2O3(OH)4-2 1.960e-12 2.789e-13 -11.708 -12.555 -0.847 (0) + H2(SiO4)-2 1.876e-12 2.846e-13 -11.727 -12.546 -0.819 (0) + Si4O6(OH)6-2 3.311e-16 5.709e-17 -15.480 -16.243 -0.763 (0) + Fe(H3SiO4)+2 1.603e-16 2.764e-17 -15.795 -16.558 -0.763 (0) + Si3O6(OH)3-3 6.888e-18 9.580e-20 -17.162 -19.019 -1.857 (0) + Si3O5(OH)5-3 5.361e-18 7.456e-20 -17.271 -19.127 -1.857 (0) + Si4O8(OH)4-4 5.091e-23 3.225e-26 -22.293 -25.492 -3.198 (0) + Si4O7(OH)6-4 4.502e-23 3.978e-26 -22.347 -25.400 -3.054 (0) + Si6O15-6 4.573e-35 0.000e+00 -34.340 -41.211 -6.871 (0) +Sr 4.085e-04 + Sr+2 3.041e-04 5.243e-05 -3.517 -4.280 -0.763 (0) + SrCl+ 5.542e-05 3.571e-05 -4.256 -4.447 -0.191 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - Sr(HCO3)+ 1.042e-06 6.714e-07 -5.982 -6.173 -0.191 (0) + Sr(HCO3)+ 1.040e-06 6.704e-07 -5.983 -6.174 -0.191 (0) Sr(CO3) 2.006e-08 2.006e-08 -7.698 -7.698 0.000 (0) - Sr(OH)+ 6.159e-11 3.968e-11 -10.210 -10.401 -0.191 (0) - Sr(S2O3) 1.795e-17 1.795e-17 -16.746 -16.746 0.000 (0) + Sr(OH)+ 6.132e-11 3.951e-11 -10.212 -10.403 -0.191 (0) + Sr(S2O3) 4.049e-18 4.049e-18 -17.393 -17.393 0.000 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - Acmite -0.64 0.28 0.92 NaFeSi2O6 - Afwillite -20.65 28.77 49.42 Ca3Si2O4(OH)6 + Acmite -0.45 0.44 0.89 NaFeSi2O6 + Afwillite -20.66 28.76 49.42 Ca3Si2O4(OH)6 Anhydrite -0.15 -4.59 -4.44 Ca(SO4) - Antarcticite -7.03 -3.09 3.94 CaCl2:6H2O - Antigorite -54.88 445.28 500.16 Mg48Si34O85(OH)62 + Antarcticite -7.04 -3.10 3.94 CaCl2:6H2O + Antigorite -55.15 444.74 499.89 Mg48Si34O85(OH)62 Aragonite -0.17 -8.48 -8.31 CaCO3 Arcanite -6.12 -7.97 -1.85 K2SO4 - Artinite -6.55 3.26 9.81 Mg2(CO3)(OH)2:3H2O + Artinite -6.58 3.23 9.81 Mg2(CO3)(OH)2:3H2O Bassanite -0.68 -4.60 -3.92 CaSO4:0.5H2O - Bischofite -7.71 -3.25 4.46 MgCl2:6H2O - Bloedite -5.64 -7.99 -2.35 Na2Mg(SO4)2:4H2O - Brucite -5.18 11.92 17.10 Mg(OH)2 + Bischofite -7.73 -3.27 4.46 MgCl2:6H2O + Bloedite -5.65 -8.00 -2.35 Na2Mg(SO4)2:4H2O + Brucite -5.19 11.91 17.10 Mg(OH)2 Burkeite -12.73 -13.50 -0.77 Na6(CO3)(SO4)2 - C(cr) -5.44 48.39 53.83 C + C(cr) -5.77 -37.92 -32.15 C C2SH(alpha) -15.11 20.43 35.54 Ca2(HSiO4)(OH) - C3FH6 -34.13 38.26 72.39 Ca3Fe2(OH)12 - C4FH13 -44.87 50.28 95.16 Ca4Fe2(OH)14:6H2O - Ca(s) -93.27 46.57 139.84 Ca - Ca(SO3)(s) -10.22 -16.72 -6.50 Ca(SO3) + C3FH6 -33.76 38.57 72.33 Ca3Fe2(OH)12 + C4FH13 -44.48 50.60 95.08 Ca4Fe2(OH)14:6H2O + Ca(cr) -93.43 3.42 96.85 Ca + Ca(SO3)(s) -10.39 -16.89 -6.50 Ca(SO3) Ca2Cl2(OH)2:H2O(s) -17.50 9.03 26.53 Ca2Cl2(OH)2:H2O - Ca2Fe2O5(s) -30.54 26.22 56.76 Ca2Fe2O5 - Ca4Cl2(OH)6:13H2O(s) -35.64 33.09 68.73 Ca4Cl2(OH)6:13H2O + Ca2Fe2O5(s) -30.20 26.54 56.74 Ca2Fe2O5 + Ca4Cl2(OH)6:13H2O(s) -35.65 33.08 68.73 Ca4Cl2(OH)6:13H2O CaCl2:2H2O(cr) -11.01 -3.06 7.95 CaCl2:2H2O CaCl2:4H2O(cr) -8.43 -3.08 5.35 CaCl2:4H2O - CaCl2:H2O(s) -10.90 -3.05 7.85 CaCl2:H2O + CaCl2:H2O(s) -10.91 -3.06 7.85 CaCl2:H2O CaCO3:H2O(s) -0.89 -8.49 -7.60 CaCO3:H2O - CaFe2O4(s) -7.11 14.13 21.24 CaFe2O4 + CaFe2O4(s) -6.79 14.45 21.24 CaFe2O4 Calcite 0.00 -8.48 -8.48 CaCO3 - CaMg3(CO3)4(s) -3.59 -34.40 -30.81 CaMg3(CO3)4 + CaMg3(CO3)4(s) -3.62 -34.43 -30.81 CaMg3(CO3)4 CaO(cr) -20.61 12.09 32.70 CaO - Carnallite -10.79 -6.46 4.33 KMgCl3:6H2O - Celestite -0.00 -6.62 -6.62 Sr(SO4) - CH4(g) -13.58 117.33 130.91 CH4 - Cl2(g) -52.60 -49.61 2.99 Cl2 - CO(g) -14.44 13.91 28.35 CO + Carnallite -10.81 -6.48 4.33 KMgCl3:6H2O + Celestite 0.00 -6.62 -6.62 Sr(SO4) + CH4(g) -14.24 -55.29 -41.05 CH4 + Chukanovite -3.77 -0.80 2.97 Fe2(OH)2CO3 + Cl2(g) -52.44 -6.46 45.98 Cl2 + CO(g) -14.61 -29.25 -14.64 CO CO2(g) -2.42 -20.57 -18.15 CO2 Cristobalite -0.58 -3.74 -3.16 SiO2 - Cronstedtite-Th 1.71 17.82 16.11 Fe4SiO5(OH)4 + Cronstedtite-Th 2.27 18.38 16.11 Fe4SiO5(OH)4 CSH0.8 -5.13 5.92 11.05 Ca0.8SiO2.8:1.54H2O CSH1.2 -8.55 10.75 19.30 Ca1.2SiO3.2:2.06H2O CSH1.6 -12.42 15.58 28.00 Ca1.6SiO3.6:2.58H2O - Dolomite 0.00 -17.12 -17.12 CaMg(CO3)2 - Epsonite -2.93 -4.81 -1.88 Mg(SO4):7H2O - Ettringite-Fe -30.30 24.25 54.55 Ca6Fe2(SO4)3(OH)12:26H2O - Fayalite -3.71 15.80 19.51 Fe2(SiO4) - Fe(OH)2(cr) -3.00 9.76 12.76 Fe(OH)2 - Fe(s) -14.60 44.25 58.85 Fe - FeO(s) -3.60 9.77 13.37 FeO - Ferrihydrite(am) -1.54 1.00 2.54 Fe(OH)3 - Ferrosilite -26.68 6.03 32.71 FeSiO3 - Ferryhydrite -0.19 1.00 1.19 Fe(OH)3 - FeS(am) -4.31 -7.26 -2.95 FeS + Dolomite 0.00 -17.13 -17.13 CaMg(CO3)2 + Epsonite -2.94 -4.82 -1.88 Mg(SO4):7H2O + Ettringite-Fe -29.98 24.57 54.55 Ca6Fe2(SO4)3(OH)12:26H2O + Fayalite -3.51 16.04 19.55 Fe2(SiO4) + Fe(alpha,cr) -14.67 1.22 15.89 Fe + Fe(OH)2(cr) -2.90 9.88 12.78 Fe(OH)2 + Fe0.932O(s) -3.70 9.81 13.51 Fe0.932O + Fe3O4(s) -0.35 12.25 12.60 Fe3O4 + FeO(s) -3.50 9.89 13.39 FeO + Ferrihydrite(am) -2.76 1.16 3.92 Fe(OH)3 + Ferrihydrite(cr) -0.06 1.16 1.22 Fe(OH)3 + Ferrihydrite(s) -1.62 1.16 2.78 Fe(OH)3 + Ferrosilite -26.56 6.15 32.71 FeSiO3 + FeS(am) -4.85 -7.80 -2.95 FeS Foshagite -28.83 37.13 65.96 Ca4Si3O9(OH)2:0.5H2O Gaylussite -6.19 -15.62 -9.43 CaNa2(CO3)2:5H2O - Glaserite -19.50 -27.11 -7.61 Na2K6(SO4)4 + Glaserite -19.49 -27.10 -7.61 Na2K6(SO4)4 Glauberite -9.77 -7.80 1.97 Na2Ca(SO4)2 - Goethite 0.62 1.01 0.39 FeOOH - Greenalite 0.05 21.82 21.77 Fe3Si2O5(OH)4 + Goethite 1.00 1.17 0.17 FeOOH + GR-Cl -5.50 36.30 41.80 Fe3Fe(OH)8Cl + GR-CO3 -8.12 47.38 55.50 Fe4Fe2(OH)12CO3:2H2O + GR-SO4 -7.02 51.28 58.30 Fe4Fe2(OH)12SO4 + Greenalite 0.35 22.17 21.82 Fe3Si2O5(OH)4 + Greigite -17.39 -32.42 -15.03 Fe3S4 Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O Gyrolite -9.40 12.94 22.34 Ca2Si3O7.5(OH):2H2O - H2(g) -8.52 34.47 42.99 H2 - H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -9.04 -17.04 -8.00 H2S + H2(g) -8.68 -8.68 0.00 H2 + H2O(g) -1.50 -43.00 -41.50 H2O + H2S(g) -9.70 -17.70 -8.00 H2S Halite -2.42 -0.83 1.59 NaCl HCl(g) -13.86 -7.57 6.29 HCl - Hematite 3.05 2.03 -1.02 Fe2O3 - Hexahydrite -3.17 -4.81 -1.64 Mg(SO4):6H2O + Hematite(cr) 3.19 2.36 -0.83 Fe2O3 + Hematite(s) 2.46 2.36 -0.10 Fe2O3 + Hexahydrite -3.18 -4.82 -1.64 Mg(SO4):6H2O Hillebrandite -16.52 20.43 36.95 Ca2SiO3(OH)2:0.17H2O - Hydrophilite -14.81 -3.04 11.77 CaCl2 + Hydrophilite -14.82 -3.05 11.77 CaCl2 Jaffeite -49.02 65.04 114.06 Ca6(Si2O7)(OH)6 - Jennite -61.04 86.29 147.33 Ca9Si6O16(OH)10:6(H2O) - K(cr) -49.39 21.60 70.99 K + Jennite -61.05 86.28 147.33 Ca9Si6O16(OH)10:6H2O + K(cr) -49.47 0.02 49.49 K K(OH)(s) -20.25 4.35 24.60 K(OH) K-carbonate -14.90 -11.87 3.03 K2CO3:1.5H2O K-trona -16.61 -25.71 -9.10 K2NaH(CO3)2:2H2O - K2CO3(cr) -17.27 -11.86 5.41 K2CO3 - K2O(s) -75.40 8.71 84.11 K2O - Kainite -7.80 -7.99 -0.19 KMgCl(SO4):3H2O + K2CO3(cr) -17.26 -11.85 5.41 K2CO3 + K2O(s) -75.39 8.72 84.11 K2O + Kainite -7.81 -8.00 -0.19 KMgCl(SO4):3H2O Kalicinite -6.16 -16.22 -10.06 KHCO3 - Lansfordite -3.64 -8.68 -5.04 Mg(CO3):5H2O - Lawrencite -14.25 -5.36 8.89 FeCl2 - Leonhardtite -3.90 -4.79 -0.89 MgSO4:4H2O + Lansfordite -3.65 -8.69 -5.04 Mg(CO3):5H2O + Lawrencite -14.18 -5.25 8.93 FeCl2 + Leonhardtite -3.91 -4.80 -0.89 MgSO4:4H2O Leonite -8.78 -12.76 -3.98 K2Mg(SO4)2:4H2O - Lepidocrocite 0.26 1.01 0.75 FeOOH - Lizardite -4.80 28.30 33.10 Mg3Si2O5(OH)4 - Mackinawite -3.66 -7.26 -3.60 FeS - Maghemite(disord) -1.28 2.03 3.31 Fe2O3 - Maghemite(ord) -1.49 2.03 3.52 Fe2O3 - Magnesite(nat) 0.27 -8.64 -8.91 MgCO3 - Magnesite(syn) -0.54 -8.64 -8.10 Mg(CO3) - Magnetite 1.40 11.81 10.41 Fe3O4 - Melanterite -4.76 -6.97 -2.21 FeSO4:7H2O + Lepidocrocite -0.69 1.17 1.86 FeOOH + Lizardite -4.82 28.26 33.08 Mg3Si2O5(OH)4 + Mackinawite -4.61 -7.80 -3.19 FeS + Maghemite -0.43 2.36 2.79 Fe2O3 + Magnesite(nat) 0.26 -8.65 -8.91 MgCO3 + Magnesite(syn) -0.55 -8.65 -8.10 Mg(CO3) + Magnetite 1.91 12.25 10.34 Fe3O4 + Melanterite -4.57 -6.85 -2.28 FeSO4:7H2O Mercallite -10.93 -12.33 -1.40 KHSO4 - Mg(cr) -76.36 46.41 122.77 Mg - Mg(SO4)(s) -13.85 -4.75 9.10 Mg(SO4) - Mg(SO4):H2O(s) -4.64 -4.76 -0.12 Mg(SO4):H2O - Mg-oxychlorur -9.78 16.25 26.03 Mg2Cl(OH)3:4H2O - Mg5(CO3)4(OH)2:4H2O(s) -12.36 -22.67 -10.31 Mg5(CO3)4(OH)2:4H2O - MgCl2(s) -25.23 -3.20 22.03 MgCl2 - MgCl2:2H2O(s) -16.12 -3.22 12.90 MgCl2:2H2O - MgCl2:4H2O(s) -10.68 -3.24 7.44 MgCl2:4H2O - MgCl2:H2O(s) -19.43 -3.21 16.22 MgCl2:H2O - Minnesotaite -0.58 14.35 14.93 Fe3Si4O10(OH)2 + Mg(cr) -76.53 3.25 79.78 Mg + Mg(SO4)(s) -13.86 -4.76 9.10 Mg(SO4) + Mg(SO4):H2O(s) -4.65 -4.77 -0.12 Mg(SO4):H2O + Mg-oxychlorur -9.81 16.22 26.03 Mg2Cl(OH)3:4H2O + Mg5(CO3)4(OH)2:4H2O(s) -12.41 -22.72 -10.31 Mg5(CO3)4(OH)2:4H2O + MgCl2(s) -25.25 -3.22 22.03 MgCl2 + MgCl2:2H2O(s) -16.13 -3.23 12.90 MgCl2:2H2O + MgCl2:4H2O(s) -10.69 -3.25 7.44 MgCl2:4H2O + MgCl2:H2O(s) -19.45 -3.23 16.22 MgCl2:H2O + Minnesotaite -0.29 14.70 14.99 Fe3Si4O10(OH)2 Mirabilite -2.06 -3.29 -1.23 Na2SO4:10H2O - Monosulfate-Fe -32.44 33.61 66.05 Ca4Fe2(SO4)(OH)12:6H2O - Na(cr) -43.41 23.98 67.38 Na + Monosulfate-Fe -32.12 33.93 66.05 Ca4Fe2(SO4)(OH)12:6H2O + Na(cr) -43.49 2.40 45.89 Na Na2(CO3)(cr) -8.21 -7.09 1.12 Na2(CO3) - Na2CO3:7H2O(s) -6.70 -7.16 -0.46 Na2CO3:7H2O + Na2CO3:7H2O(s) -6.69 -7.15 -0.46 Na2CO3:7H2O Na2O(cr) -53.98 13.48 67.46 Na2O Nahcolite -3.10 -13.84 -10.74 Na(HCO3) Natron -6.35 -7.18 -0.83 Na2(CO3):10H2O - Nesquehonite -3.57 -8.67 -5.10 Mg(CO3):3H2O - O2(g) -66.06 -68.96 -2.90 O2 + Nesquehonite -3.58 -8.68 -5.10 Mg(CO3):3H2O + O2(g) -65.74 -68.64 -2.90 O2 Okenite -4.59 4.59 9.18 CaSi2O5:2H2O - Pentahydrite -3.52 -4.80 -1.28 MgSO4:5H2O - Periclase -9.65 11.93 21.58 MgO - Picromerite -8.44 -12.77 -4.33 K2Mg(SO4)2:6H2O + Pentahydrite -3.53 -4.81 -1.28 MgSO4:5H2O + Periclase -9.66 11.92 21.58 MgO + Picromerite -8.45 -12.78 -4.33 K2Mg(SO4)2:6H2O Pirssonite -6.68 -15.59 -8.91 Na2Ca(CO3)2:2H2O - Polyhalite -8.18 -21.92 -13.74 K2MgCa2(SO4)4:2H2O + Polyhalite -8.19 -21.93 -13.74 K2MgCa2(SO4)4:2H2O Portlandite -10.73 12.08 22.81 Ca(OH)2 - Pyrite 0.00 -58.78 -58.78 FeS2 - Pyrrhotite -1.84 -13.02 -11.18 Fe0.87S - Quartz 0.00 -3.74 -3.74 SiO2 - S(cr) -6.39 -51.52 -45.13 S - Si(cr) -83.95 65.22 149.17 Si - Siderite 0.00 -10.80 -10.80 Fe(CO3) + Pyrite -0.00 -16.82 -16.82 FeS2 + Pyrrhotite -2.64 -7.96 -5.32 Fe0.87S + Quartz -0.00 -3.74 -3.74 SiO2 + S(cr) -6.88 -9.02 -2.14 S + Schwertmannite(cr) -16.01 -7.29 8.72 Fe8O8(OH)6SO4 + Si(cr) -84.28 -21.09 63.19 Si + Siderite 0.00 -10.68 -10.68 Fe(CO3) SiO2(am) -1.03 -3.74 -2.71 SiO2 - SO2(g) -19.87 -28.81 -8.94 SO2 - Sr(cr) -97.24 44.54 141.78 Sr - Sr(OH)2(s) -17.45 10.06 27.51 Sr(OH)2 + SO2(g) -20.04 -28.98 -8.94 SO2 + Sr(cr) -97.40 1.39 98.79 Sr + Sr(OH)2(s) -17.46 10.05 27.51 Sr(OH)2 Sr(OH)2:8H2O(s) -14.34 9.98 24.32 Sr(OH)2:8H2O Sr2SiO4(s) -26.86 16.39 43.25 Sr2SiO4 SrCl2(s) -13.19 -5.07 8.12 SrCl2 SrCl2:2H2O(s) -8.56 -5.09 3.47 SrCl2:2H2O - SrCl2:6H2O(s) -6.73 -5.12 1.61 SrCl2:6H2O + SrCl2:6H2O(s) -6.74 -5.13 1.61 SrCl2:6H2O SrCl2:H2O(s) -9.99 -5.08 4.91 SrCl2:H2O SrO(cr) -31.92 10.06 41.98 SrO - SrS(s) -21.65 -6.97 14.68 SrS + SrS(s) -22.31 -7.63 14.68 SrS SrSiO3(s) -6.84 6.32 13.16 SrSiO3 Strontianite -1.24 -10.51 -9.27 Sr(CO3) Sylvite -4.08 -3.21 0.87 KCl Syngenite -5.16 -12.61 -7.45 K2Ca(SO4)2:6H2O - Tachyhydrite -26.93 -9.55 17.38 Mg2CaCl6:12H2O - Talc -4.11 20.83 24.94 Mg3Si4O10(OH)2 + Tachyhydrite -26.97 -9.59 17.38 Mg2CaCl6:12H2O + Talc -4.13 20.79 24.92 Mg3Si4O10(OH)2 + Thenardite -2.84 -3.20 -0.36 Na2SO4 Thermonatrite -7.58 -7.10 0.48 Na2(CO3):H2O - Thernardite -2.85 -3.21 -0.36 Na2SO4 - Tobermorite-11A -27.61 37.97 65.58 Ca5Si6O16.5(OH):5H2O - Tobermorite-14A -25.02 37.93 62.94 Ca5Si6O16.5(OH):10H2O - Troilite -1.95 -7.26 -5.31 FeS - Trona -9.57 -20.95 -11.38 Na3H(CO3)2:2H2O + Tobermorite-11A -27.62 37.96 65.58 Ca5Si6O16.5(OH):5H2O + Tobermorite-14A -25.02 37.92 62.94 Ca5Si6O16.5(OH):10H2O + Troilite -3.81 -7.80 -3.99 FeS + Trona -9.56 -20.94 -11.38 Na3H(CO3)2:2H2O Truscottite -37.35 39.73 77.08 Ca7Si12O29(OH)4:H2O Vaterite -0.58 -8.48 -7.90 CaCO3 - Xonotlite -41.24 50.10 91.34 Ca6Si6O17(OH)2 + Xonotlite -41.25 50.09 91.34 Ca6Si6O17(OH)2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -1659,393 +1600,378 @@ Reaction 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.000e+00 9.950e-01 -4.989e-03 -Celestite -0.00 -6.62 -6.62 1.000e+00 1.000e+00 3.438e-05 -Dolomite 0.00 -17.12 -17.12 1.000e+00 1.003e+00 2.601e-03 -Gypsum 0.00 -4.61 -4.61 0.000e+00 6.697e-03 6.697e-03 -Pyrite -0.00 -58.78 -58.78 1.000e+00 1.000e+00 1.377e-14 +Calcite 0.00 -8.48 -8.48 1.000e+00 9.952e-01 -4.833e-03 +Celestite 0.00 -6.62 -6.62 1.000e+00 1.000e+00 3.511e-05 +Dolomite 0.00 -17.13 -17.13 1.000e+00 1.003e+00 2.584e-03 +Gypsum -0.00 -4.61 -4.61 0.000e+00 6.603e-03 6.603e-03 +Pyrite -0.00 -16.82 -16.82 1.000e+00 1.000e+00 1.690e-10 Quartz 0.00 -3.74 -3.74 1.000e+00 1.000e+00 3.962e-05 -Siderite 0.00 -10.80 -10.80 1.000e+00 9.998e-01 -1.989e-04 +Siderite 0.00 -10.68 -10.68 1.000e+00 9.997e-01 -3.182e-04 -----------------------------Solution composition------------------------------ Elements Molality Moles C 1.900e-03 1.489e-03 - Ca 3.313e-02 2.596e-02 - Cl 6.378e-01 4.997e-01 - Fe 2.538e-04 1.989e-04 + Ca 3.295e-02 2.582e-02 + Cl 6.359e-01 4.983e-01 + Fe 4.061e-04 3.182e-04 K 2.549e-03 1.998e-03 - Mg 2.690e-02 2.108e-02 + Mg 2.613e-02 2.047e-02 Na 5.947e-01 4.660e-01 - S 3.957e-02 3.101e-02 - Si 1.749e-04 1.370e-04 - Sr 4.288e-04 3.360e-04 + S 3.969e-02 3.110e-02 + Si 1.749e-04 1.371e-04 + Sr 4.259e-04 3.338e-04 ----------------------------Description of solution---------------------------- pH = 7.147 Charge balance - pe = -2.883 Adjusted to redox equilibrium + pe = -2.802 Adjusted to redox equilibrium Activity of water = 0.978 - Ionic strength (mol/kgw) = 7.730e-01 + Ionic strength (mol/kgw) = 7.710e-01 Mass of water (kg) = 7.836e-01 - Total alkalinity (eq/kg) = 1.783e-03 + Total alkalinity (eq/kg) = 1.780e-03 Total CO2 (mol/kg) = 1.900e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.419e-11 + Electrical balance (eq) = 6.400e-11 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 Iterations = 24 Gamma iterations = 8 - Osmotic coefficient = 0.91564 - Total H = 8.699514e+01 - Total O = 4.362555e+01 + Osmotic coefficient = 0.91561 + Total H = 8.699305e+01 + Total O = 4.362488e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 2.027e-07 1.371e-07 -6.693 -6.863 -0.170 (0) - H+ 9.353e-08 7.134e-08 -7.029 -7.147 -0.118 0.00 - H2O 5.551e+01 9.784e-01 1.744 -0.009 0.000 18.07 -C(-4) 3.778e-17 - CH4 3.778e-17 3.778e-17 -16.423 -16.423 0.000 (0) + OH- 2.030e-07 1.374e-07 -6.693 -6.862 -0.169 (0) + H+ 9.339e-08 7.122e-08 -7.030 -7.147 -0.118 0.00 + H2O 5.551e+01 9.785e-01 1.744 -0.009 0.000 18.07 +C(-4) 4.574e-18 + CH4 4.574e-18 4.574e-18 -17.340 -17.340 0.000 (0) + CH3- 0.000e+00 0.000e+00 -55.999 -56.192 -0.193 (0) C(4) 1.900e-03 - HCO3- 1.374e-03 8.801e-04 -2.862 -3.055 -0.193 (0) - Na(HCO3) 1.952e-04 1.952e-04 -3.709 -3.709 0.000 (0) - CO2 1.437e-04 1.437e-04 -3.843 -3.843 0.000 (0) - Ca(HCO3)+ 9.927e-05 6.359e-05 -4.003 -4.197 -0.193 (0) - Mg(HCO3)+ 5.980e-05 3.831e-05 -4.223 -4.417 -0.193 (0) - Fe(CO3) 7.763e-06 7.763e-06 -5.110 -5.110 0.000 (0) - Na(CO3)- 6.615e-06 4.238e-06 -5.179 -5.373 -0.193 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - CO3-2 3.822e-06 5.770e-07 -5.418 -6.239 -0.821 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Sr(HCO3)+ 1.116e-06 7.152e-07 -5.952 -6.146 -0.193 (0) - FeHCO3+ 1.039e-06 6.658e-07 -5.983 -6.177 -0.193 (0) - FeCO3OH- 3.166e-08 2.029e-08 -7.499 -7.693 -0.193 (0) + HCO3- 1.380e-03 8.840e-04 -2.860 -3.054 -0.193 (0) + Na(HCO3) 1.961e-04 1.961e-04 -3.708 -3.708 0.000 (0) + CO2 1.440e-04 1.440e-04 -3.841 -3.841 0.000 (0) + Ca(HCO3)+ 9.906e-05 6.348e-05 -4.004 -4.197 -0.193 (0) + Mg(HCO3)+ 5.833e-05 3.738e-05 -4.234 -4.427 -0.193 (0) + Na(CO3)- 6.655e-06 4.264e-06 -5.177 -5.370 -0.193 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + FeCO3 3.890e-06 3.890e-06 -5.410 -5.410 0.000 (0) + CO3-2 3.842e-06 5.806e-07 -5.415 -6.236 -0.821 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Sr(HCO3)+ 1.114e-06 7.140e-07 -5.953 -6.146 -0.193 (0) Sr(CO3) 2.000e-08 2.000e-08 -7.699 -7.699 0.000 (0) - FeCO3OH 1.600e-09 1.600e-09 -8.796 -8.796 0.000 (0) - Fe(CO3)2-2 1.530e-09 2.577e-10 -8.815 -9.589 -0.774 (0) - Fe(CO3)3-3 6.453e-14 1.173e-15 -13.190 -14.931 -1.740 (0) - CO 3.626e-18 3.626e-18 -17.441 -17.441 0.000 (0) -Ca 3.313e-02 - Ca+2 2.779e-02 5.739e-03 -1.556 -2.241 -0.685 (0) + Fe(OH)CO3 2.025e-09 2.025e-09 -8.694 -8.694 0.000 (0) + Fe(CO3)2-2 7.888e-10 1.330e-10 -9.103 -9.876 -0.773 (0) + Fe(CO3)3-3 5.441e-14 9.913e-16 -13.264 -15.004 -1.739 (0) + CO 2.490e-18 2.490e-18 -17.604 -17.604 0.000 (0) +Ca 3.295e-02 + Ca+2 2.761e-02 5.704e-03 -1.559 -2.244 -0.685 (0) Ca(SO4) 5.235e-03 5.235e-03 -2.281 -2.281 0.000 (0) - Ca(HCO3)+ 9.927e-05 6.359e-05 -4.003 -4.197 -0.193 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - Ca(H3SiO4)+ 3.235e-08 2.073e-08 -7.490 -7.683 -0.193 (0) - Ca(OH)+ 2.039e-08 1.306e-08 -7.691 -7.884 -0.193 (0) - Ca(S2O3) 1.458e-15 1.458e-15 -14.836 -14.836 0.000 (0) -Cl 6.378e-01 - Cl- 6.316e-01 4.287e-01 -0.200 -0.368 -0.168 (0) - MgCl+ 5.948e-03 3.811e-03 -2.226 -2.419 -0.193 (0) - SrCl+ 6.102e-05 3.909e-05 -4.215 -4.408 -0.193 (0) - FeCl3- 3.538e-05 2.267e-05 -4.451 -4.645 -0.193 (0) - FeCl+ 2.538e-05 1.626e-05 -4.596 -4.789 -0.193 (0) - FeCl2 1.525e-06 1.525e-06 -5.817 -5.817 0.000 (0) - HCl 5.964e-09 5.964e-09 -8.224 -8.224 0.000 (0) - FeCl+2 2.247e-19 3.785e-20 -18.648 -19.422 -0.774 (0) - FeCl2+ 1.269e-19 8.133e-20 -18.896 -19.090 -0.193 (0) - FeCl3 3.736e-21 3.736e-21 -20.428 -20.428 0.000 (0) - FeCl4- 3.006e-23 1.926e-23 -22.522 -22.715 -0.193 (0) - Cl2 0.000e+00 0.000e+00 -53.712 -53.712 0.000 (0) - ClO4- 0.000e+00 0.000e+00 -154.212 -154.387 -0.174 (0) -Fe(2) 2.538e-04 - Fe+2 1.631e-04 2.747e-05 -3.788 -4.561 -0.774 (0) - FeCl3- 3.538e-05 2.267e-05 -4.451 -4.645 -0.193 (0) - FeCl+ 2.538e-05 1.626e-05 -4.596 -4.789 -0.193 (0) - Fe(SO4) 1.945e-05 1.945e-05 -4.711 -4.711 0.000 (0) - Fe(CO3) 7.763e-06 7.763e-06 -5.110 -5.110 0.000 (0) - FeCl2 1.525e-06 1.525e-06 -5.817 -5.817 0.000 (0) - FeHCO3+ 1.039e-06 6.658e-07 -5.983 -6.177 -0.193 (0) - Fe(OH)+ 1.859e-07 1.191e-07 -6.731 -6.924 -0.193 (0) - FeCO3OH- 3.166e-08 2.029e-08 -7.499 -7.693 -0.193 (0) - Fe(CO3)2-2 1.530e-09 2.577e-10 -8.815 -9.589 -0.774 (0) - Fe(HS)+ 1.242e-10 7.959e-11 -9.906 -10.099 -0.193 (0) - Fe(HSO4)+ 1.606e-11 1.029e-11 -10.794 -10.988 -0.193 (0) - Fe(OH)2 1.298e-11 1.298e-11 -10.887 -10.887 0.000 (0) - Fe(OH)3- 1.392e-15 8.919e-16 -14.856 -15.050 -0.193 (0) - Fe(HS)2 1.358e-18 1.358e-18 -17.867 -17.867 0.000 (0) - Fe(OH)4-2 5.768e-22 9.716e-23 -21.239 -22.012 -0.774 (0) -Fe(3) 1.605e-09 - FeCO3OH 1.600e-09 1.600e-09 -8.796 -8.796 0.000 (0) - Fe(OH)3 2.497e-12 2.497e-12 -11.603 -11.603 0.000 (0) - Fe(OH)2+ 2.206e-12 1.413e-12 -11.656 -11.850 -0.193 (0) - Fe(CO3)3-3 6.453e-14 1.173e-15 -13.190 -14.931 -1.740 (0) - Fe(OH)4- 4.874e-14 3.122e-14 -13.312 -13.506 -0.193 (0) - Fe(OH)+2 1.409e-15 3.112e-16 -14.851 -15.507 -0.656 (0) - Fe(H3SiO4)+2 1.167e-16 1.966e-17 -15.933 -16.706 -0.774 (0) - Fe(SO4)+ 3.085e-19 1.977e-19 -18.511 -18.704 -0.193 (0) - FeCl+2 2.247e-19 3.785e-20 -18.648 -19.422 -0.774 (0) - Fe+3 1.933e-19 3.514e-21 -18.714 -20.454 -1.740 (0) - FeCl2+ 1.269e-19 8.133e-20 -18.896 -19.090 -0.193 (0) - Fe(SO4)2- 2.750e-20 1.762e-20 -19.561 -19.754 -0.193 (0) - FeCl3 3.736e-21 3.736e-21 -20.428 -20.428 0.000 (0) - FeCl4- 3.006e-23 1.926e-23 -22.522 -22.715 -0.193 (0) - FeHSO4+2 1.962e-25 3.306e-26 -24.707 -25.481 -0.774 (0) - Fe2(OH)2+4 3.237e-27 2.606e-30 -26.490 -29.584 -3.094 (0) - FeS2O3+ 1.394e-31 8.930e-32 -30.856 -31.049 -0.193 (0) - Fe3(OH)4+5 5.256e-35 7.694e-40 -34.279 -39.114 -4.835 (0) -H(0) 4.941e-12 - H2 2.471e-12 2.471e-12 -11.607 -11.607 0.000 (0) + Ca(HCO3)+ 9.906e-05 6.348e-05 -4.004 -4.197 -0.193 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + Ca(H3SiO4)+ 3.220e-08 2.064e-08 -7.492 -7.685 -0.193 (0) + Ca(OH)+ 2.029e-08 1.300e-08 -7.693 -7.886 -0.193 (0) + Ca(S2O3) 9.269e-17 9.269e-17 -16.033 -16.033 0.000 (0) +Cl 6.359e-01 + Cl- 6.299e-01 4.276e-01 -0.201 -0.369 -0.168 (0) + MgCl+ 5.761e-03 3.692e-03 -2.240 -2.433 -0.193 (0) + FeCl+ 1.904e-04 1.539e-04 -3.720 -3.813 -0.092 (0) + SrCl+ 6.047e-05 3.875e-05 -4.218 -4.412 -0.193 (0) + FeCl2+ 2.399e-19 1.537e-19 -18.620 -18.813 -0.193 (0) + FeCl+2 1.681e-19 7.173e-20 -18.774 -19.144 -0.370 (0) + FeCl3 4.148e-21 4.148e-21 -20.382 -20.382 0.000 (0) + FeCl4- 2.768e-23 1.774e-23 -22.558 -22.751 -0.193 (0) + Cl2 0.000e+00 0.000e+00 -53.551 -53.551 0.000 (0) + ClO4- 0.000e+00 0.000e+00 -153.256 -153.430 -0.174 (0) +Fe(2) 4.061e-04 + FeCl+ 1.904e-04 1.539e-04 -3.720 -3.813 -0.092 (0) + Fe+2 1.668e-04 3.599e-05 -3.778 -4.444 -0.666 (0) + Fe(SO4) 4.456e-05 4.456e-05 -4.351 -4.351 0.000 (0) + FeCO3 3.890e-06 3.890e-06 -5.410 -5.410 0.000 (0) + Fe(OH)+ 4.339e-07 2.780e-07 -6.363 -6.556 -0.193 (0) + Fe(CO3)2-2 7.888e-10 1.330e-10 -9.103 -9.876 -0.773 (0) + Fe(HS)+ 3.593e-11 2.302e-11 -10.445 -10.638 -0.193 (0) + Fe(OH)2 9.818e-12 9.818e-12 -11.008 -11.008 0.000 (0) + Fe(OH)3- 2.105e-17 1.349e-17 -16.677 -16.870 -0.193 (0) + Fe(HS)2 8.674e-20 8.674e-20 -19.062 -19.062 0.000 (0) + Fe(OH)4-2 3.639e-22 6.136e-23 -21.439 -22.212 -0.773 (0) +Fe(3) 2.052e-09 + Fe(OH)CO3 2.025e-09 2.025e-09 -8.694 -8.694 0.000 (0) + Fe(OH)2+ 2.365e-11 1.515e-11 -10.626 -10.819 -0.193 (0) + Fe(OH)3 3.618e-12 3.618e-12 -11.442 -11.442 0.000 (0) + Fe(OH)4- 7.074e-14 4.533e-14 -13.150 -13.344 -0.193 (0) + Fe(CO3)3-3 5.441e-14 9.913e-16 -13.264 -15.004 -1.739 (0) + Fe(OH)+2 2.231e-15 4.927e-16 -14.651 -15.307 -0.656 (0) + Fe(H3SiO4)+2 1.684e-16 2.839e-17 -15.774 -16.547 -0.773 (0) + Fe(SO4)+ 6.319e-19 4.049e-19 -18.199 -18.393 -0.193 (0) + Fe(SO4)2- 2.651e-19 1.699e-19 -18.577 -18.770 -0.193 (0) + FeCl2+ 2.399e-19 1.537e-19 -18.620 -18.813 -0.193 (0) + FeCl+2 1.681e-19 7.173e-20 -18.774 -19.144 -0.370 (0) + Fe+3 9.234e-20 5.066e-21 -19.035 -20.295 -1.261 (0) + FeCl3 4.148e-21 4.148e-21 -20.382 -20.382 0.000 (0) + FeCl4- 2.768e-23 1.774e-23 -22.558 -22.751 -0.193 (0) + Fe2(OH)2+4 9.069e-27 7.331e-30 -26.042 -29.135 -3.092 (0) + FeS2O3+ 4.558e-32 2.921e-32 -31.341 -31.534 -0.193 (0) + Fe3(OH)4+5 1.576e-34 2.321e-39 -33.802 -38.634 -4.832 (0) +H(0) 3.383e-12 + H2 1.691e-12 1.691e-12 -11.772 -11.772 0.000 (0) K 2.549e-03 - K+ 2.549e-03 1.633e-03 -2.594 -2.787 -0.193 (0) -Mg 2.690e-02 - Mg+2 1.788e-02 3.970e-03 -1.748 -2.401 -0.654 (0) - MgCl+ 5.948e-03 3.811e-03 -2.226 -2.419 -0.193 (0) - Mg(SO4) 3.012e-03 3.012e-03 -2.521 -2.521 0.000 (0) - Mg(HCO3)+ 5.980e-05 3.831e-05 -4.223 -4.417 -0.193 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Mg(OH)+ 1.776e-07 1.137e-07 -6.751 -6.944 -0.193 (0) - Mg(H3SiO4)+ 3.980e-08 2.550e-08 -7.400 -7.594 -0.193 (0) - Mg(S2O3) 8.391e-16 8.391e-16 -15.076 -15.076 0.000 (0) - Mg4(OH)4+4 1.941e-18 1.563e-21 -17.712 -20.806 -3.094 (0) + K+ 2.549e-03 1.634e-03 -2.594 -2.787 -0.193 (0) +Mg 2.613e-02 + Mg+2 1.736e-02 3.856e-03 -1.760 -2.414 -0.653 (0) + MgCl+ 5.761e-03 3.692e-03 -2.240 -2.433 -0.193 (0) + Mg(SO4) 2.944e-03 2.944e-03 -2.531 -2.531 0.000 (0) + Mg(HCO3)+ 5.833e-05 3.738e-05 -4.234 -4.427 -0.193 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Mg(OH)+ 1.727e-07 1.107e-07 -6.763 -6.956 -0.193 (0) + Mg(H3SiO4)+ 3.872e-08 2.481e-08 -7.412 -7.605 -0.193 (0) + Mg(S2O3) 1.849e-16 1.849e-16 -15.733 -15.733 0.000 (0) + Mg4(OH)4+4 1.733e-18 1.401e-21 -17.761 -20.854 -3.092 (0) Na 5.947e-01 - Na+ 5.945e-01 3.944e-01 -0.226 -0.404 -0.178 (0) - Na(HCO3) 1.952e-04 1.952e-04 -3.709 -3.709 0.000 (0) - Na(CO3)- 6.615e-06 4.238e-06 -5.179 -5.373 -0.193 (0) - Na(S2O3)- 8.024e-15 5.140e-15 -14.096 -14.289 -0.193 (0) -O(0) -3.625e-18 - CO 3.626e-18 3.626e-18 -17.441 -17.441 0.000 (0) - S2-2 1.011e-21 1.703e-22 -20.995 -21.769 -0.774 (0) - S3-2 3.448e-26 5.808e-27 -25.462 -26.236 -0.774 (0) - S4-2 9.333e-32 1.572e-32 -31.030 -31.803 -0.774 (0) - S4O6-2 1.648e-35 2.776e-36 -34.783 -35.557 -0.774 (0) - S5-2 1.524e-37 2.567e-38 -36.817 -37.591 -0.774 (0) - S3O6-2 0.000e+00 0.000e+00 -42.956 -43.729 -0.774 (0) - Cl2 0.000e+00 0.000e+00 -53.712 -53.712 0.000 (0) - S5O6-2 0.000e+00 0.000e+00 -56.010 -56.784 -0.774 (0) - HSO5- 0.000e+00 0.000e+00 -60.995 -61.189 -0.193 (0) - O2 0.000e+00 0.000e+00 -68.944 -68.944 0.000 (0) - S2O8-2 0.000e+00 0.000e+00 -75.072 -75.846 -0.774 (0) - ClO4- 0.000e+00 0.000e+00 -154.212 -154.387 -0.174 (0) -S(-2) 4.233e-10 - HS- 2.067e-10 1.324e-10 -9.685 -9.878 -0.193 (0) - Fe(HS)+ 1.242e-10 7.959e-11 -9.906 -10.099 -0.193 (0) - H2S 9.233e-11 9.233e-11 -10.035 -10.035 0.000 (0) - Fe(HS)2 1.358e-18 1.358e-18 -17.867 -17.867 0.000 (0) - S-2 8.753e-20 1.475e-20 -19.058 -19.831 -0.774 (0) - S2-2 1.011e-21 1.703e-22 -20.995 -21.769 -0.774 (0) - S3-2 3.448e-26 5.808e-27 -25.462 -26.236 -0.774 (0) - S4-2 9.333e-32 1.572e-32 -31.030 -31.803 -0.774 (0) - S5-2 1.524e-37 2.567e-38 -36.817 -37.591 -0.774 (0) -S(2) 5.866e-14 - S2O3-2 1.899e-14 3.199e-15 -13.721 -14.495 -0.774 (0) - Na(S2O3)- 8.024e-15 5.140e-15 -14.096 -14.289 -0.193 (0) - Ca(S2O3) 1.458e-15 1.458e-15 -14.836 -14.836 0.000 (0) - Mg(S2O3) 8.391e-16 8.391e-16 -15.076 -15.076 0.000 (0) - Sr(S2O3) 1.883e-17 1.883e-17 -16.725 -16.725 0.000 (0) - H(S2O3)- 1.870e-20 1.198e-20 -19.728 -19.922 -0.193 (0) - H2(S2O3) 3.402e-27 3.402e-27 -26.468 -26.468 0.000 (0) - FeS2O3+ 1.394e-31 8.930e-32 -30.856 -31.049 -0.193 (0) -S(3) 1.728e-33 - S2O4-2 8.640e-34 1.455e-34 -33.063 -33.837 -0.774 (0) - HS2O4- 5.125e-39 3.284e-39 -38.290 -38.484 -0.193 (0) - H2S2O4 0.000e+00 0.000e+00 -45.330 -45.330 0.000 (0) -S(4) 2.689e-14 - SO3-2 2.154e-14 3.252e-15 -13.667 -14.488 -0.821 (0) - H(SO3)- 5.356e-15 3.431e-15 -14.271 -14.465 -0.193 (0) - SO2 1.813e-20 1.813e-20 -19.742 -19.742 0.000 (0) - H2(SO3) 1.773e-20 1.773e-20 -19.751 -19.751 0.000 (0) - S2O5-2 2.312e-30 3.895e-31 -29.636 -30.410 -0.774 (0) - S4O6-2 1.648e-35 2.776e-36 -34.783 -35.557 -0.774 (0) - S3O6-2 0.000e+00 0.000e+00 -42.956 -43.729 -0.774 (0) - S5O6-2 0.000e+00 0.000e+00 -56.010 -56.784 -0.774 (0) -S(6) 3.957e-02 - SO4-2 3.126e-02 4.468e-03 -1.505 -2.350 -0.845 (0) + Na+ 5.945e-01 3.945e-01 -0.226 -0.404 -0.178 (0) + Na(HCO3) 1.961e-04 1.961e-04 -3.708 -3.708 0.000 (0) + Na(CO3)- 6.655e-06 4.264e-06 -5.177 -5.370 -0.193 (0) + Na(S2O3)- 1.820e-15 1.166e-15 -14.740 -14.933 -0.193 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -68.625 -68.625 0.000 (0) +S(-2) 1.019e-10 + HS- 4.564e-11 2.924e-11 -10.341 -10.534 -0.193 (0) + Fe(HS)+ 3.593e-11 2.302e-11 -10.445 -10.638 -0.193 (0) + H2S 2.035e-11 2.035e-11 -10.691 -10.691 0.000 (0) + Fe(HS)2 8.674e-20 8.674e-20 -19.062 -19.062 0.000 (0) + S-2 1.934e-20 3.262e-21 -19.713 -20.487 -0.773 (0) + S2-2 7.194e-23 1.213e-23 -22.143 -22.916 -0.773 (0) + S3-2 7.895e-28 1.331e-28 -27.103 -27.876 -0.773 (0) + S4-2 6.883e-34 1.161e-34 -33.162 -33.935 -0.773 (0) + S5-2 3.616e-40 0.000e+00 -39.442 -40.215 -0.773 (0) +S(2) 1.281e-14 + S2O3-2 4.305e-15 7.259e-16 -14.366 -15.139 -0.773 (0) + Na(S2O3)- 1.820e-15 1.166e-15 -14.740 -14.933 -0.193 (0) + Mg(S2O3) 1.849e-16 1.849e-16 -15.733 -15.733 0.000 (0) + Ca(S2O3) 9.269e-17 9.269e-17 -16.033 -16.033 0.000 (0) + Sr(S2O3) 4.247e-18 4.247e-18 -17.372 -17.372 0.000 (0) + H(S2O3)- 4.234e-21 2.713e-21 -20.373 -20.567 -0.193 (0) + H2(S2O3) 7.692e-28 7.692e-28 -27.114 -27.114 0.000 (0) + FeS2O3+ 4.558e-32 2.921e-32 -31.341 -31.534 -0.193 (0) +S(3) 5.589e-34 + S2O4-2 2.794e-34 4.712e-35 -33.554 -34.327 -0.773 (0) + HS2O4- 1.656e-39 1.061e-39 -38.781 -38.974 -0.193 (0) + H2S2O4 0.000e+00 0.000e+00 -45.822 -45.822 0.000 (0) +S(4) 1.851e-14 + SO3-2 1.483e-14 2.241e-15 -13.829 -14.650 -0.821 (0) + H(SO3)- 3.684e-15 2.361e-15 -14.434 -14.627 -0.193 (0) + SO2 1.245e-20 1.245e-20 -19.905 -19.905 0.000 (0) + H2(SO3) 1.218e-20 1.218e-20 -19.914 -19.914 0.000 (0) + S2O5-2 1.093e-30 1.843e-31 -29.961 -30.734 -0.773 (0) + S4O6-2 1.180e-36 1.989e-37 -35.928 -36.701 -0.773 (0) + S3O6-2 0.000e+00 0.000e+00 -43.609 -44.382 -0.773 (0) + S5O6-2 0.000e+00 0.000e+00 -57.638 -58.411 -0.773 (0) +S(6) 3.969e-02 + SO4-2 3.142e-02 4.495e-03 -1.503 -2.347 -0.844 (0) Ca(SO4) 5.235e-03 5.235e-03 -2.281 -2.281 0.000 (0) - Mg(SO4) 3.012e-03 3.012e-03 -2.521 -2.521 0.000 (0) + Mg(SO4) 2.944e-03 2.944e-03 -2.531 -2.531 0.000 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - Fe(SO4) 1.945e-05 1.945e-05 -4.711 -4.711 0.000 (0) - H(SO4)- 4.817e-08 3.044e-08 -7.317 -7.517 -0.199 (0) - Fe(HSO4)+ 1.606e-11 1.029e-11 -10.794 -10.988 -0.193 (0) - Fe(SO4)+ 3.085e-19 1.977e-19 -18.511 -18.704 -0.193 (0) - Fe(SO4)2- 2.750e-20 1.762e-20 -19.561 -19.754 -0.193 (0) - FeHSO4+2 1.962e-25 3.306e-26 -24.707 -25.481 -0.774 (0) - HSO5- 0.000e+00 0.000e+00 -60.995 -61.189 -0.193 (0) - S2O8-2 0.000e+00 0.000e+00 -75.072 -75.846 -0.774 (0) + Fe(SO4) 4.456e-05 4.456e-05 -4.351 -4.351 0.000 (0) + H(SO4)- 4.837e-08 3.057e-08 -7.315 -7.515 -0.199 (0) + Fe(SO4)+ 6.319e-19 4.049e-19 -18.199 -18.393 -0.193 (0) + Fe(SO4)2- 2.651e-19 1.699e-19 -18.577 -18.770 -0.193 (0) + HSO5- 0.000e+00 0.000e+00 -60.829 -61.022 -0.193 (0) + S2O8-2 0.000e+00 0.000e+00 -74.904 -75.677 -0.773 (0) Si 1.749e-04 H4(SiO4) 1.742e-04 1.742e-04 -3.759 -3.759 0.000 (0) - H3(SiO4)- 6.147e-07 3.529e-07 -6.211 -6.452 -0.241 (0) - Mg(H3SiO4)+ 3.980e-08 2.550e-08 -7.400 -7.594 -0.193 (0) - Ca(H3SiO4)+ 3.235e-08 2.073e-08 -7.490 -7.683 -0.193 (0) - Si2O2(OH)5- 2.394e-09 1.375e-09 -8.621 -8.862 -0.241 (0) - Si2O3(OH)4-2 1.768e-12 2.426e-13 -11.752 -12.615 -0.863 (0) - H2(SiO4)-2 1.688e-12 2.479e-13 -11.773 -12.606 -0.833 (0) - Si4O6(OH)6-2 2.943e-16 4.958e-17 -15.531 -16.305 -0.774 (0) - Fe(H3SiO4)+2 1.167e-16 1.966e-17 -15.933 -16.706 -0.774 (0) - Si3O6(OH)3-3 6.033e-18 7.788e-20 -17.219 -19.109 -1.889 (0) - Si3O5(OH)5-3 4.688e-18 6.053e-20 -17.329 -19.218 -1.889 (0) - Si4O8(OH)4-4 4.338e-23 2.447e-26 -22.363 -25.611 -3.249 (0) - Si4O7(OH)6-4 3.743e-23 3.014e-26 -22.427 -25.521 -3.094 (0) - Si6O15-6 3.741e-35 0.000e+00 -34.427 -41.389 -6.962 (0) -Sr 4.288e-04 - Sr+2 3.187e-04 5.369e-05 -3.497 -4.270 -0.774 (0) - SrCl+ 6.102e-05 3.909e-05 -4.215 -4.408 -0.193 (0) + H3(SiO4)- 6.156e-07 3.536e-07 -6.211 -6.452 -0.241 (0) + Mg(H3SiO4)+ 3.872e-08 2.481e-08 -7.412 -7.605 -0.193 (0) + Ca(H3SiO4)+ 3.220e-08 2.064e-08 -7.492 -7.685 -0.193 (0) + Si2O2(OH)5- 2.398e-09 1.377e-09 -8.620 -8.861 -0.241 (0) + Si2O3(OH)4-2 1.773e-12 2.435e-13 -11.751 -12.614 -0.862 (0) + H2(SiO4)-2 1.692e-12 2.488e-13 -11.772 -12.604 -0.833 (0) + Si4O6(OH)6-2 2.952e-16 4.977e-17 -15.530 -16.303 -0.773 (0) + Fe(H3SiO4)+2 1.684e-16 2.839e-17 -15.774 -16.547 -0.773 (0) + Si3O6(OH)3-3 6.052e-18 7.831e-20 -17.218 -19.106 -1.888 (0) + Si3O5(OH)5-3 4.704e-18 6.086e-20 -17.328 -19.216 -1.888 (0) + Si4O8(OH)4-4 4.352e-23 2.465e-26 -22.361 -25.608 -3.247 (0) + Si4O7(OH)6-4 3.756e-23 3.036e-26 -22.425 -25.518 -3.092 (0) + Si6O15-6 3.749e-35 0.000e+00 -34.426 -41.384 -6.958 (0) +Sr 4.259e-04 + Sr+2 3.165e-04 5.336e-05 -3.500 -4.273 -0.773 (0) + SrCl+ 6.047e-05 3.875e-05 -4.218 -4.412 -0.193 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - Sr(HCO3)+ 1.116e-06 7.152e-07 -5.952 -6.146 -0.193 (0) + Sr(HCO3)+ 1.114e-06 7.140e-07 -5.953 -6.146 -0.193 (0) Sr(CO3) 2.000e-08 2.000e-08 -7.699 -7.699 0.000 (0) - Sr(OH)+ 5.895e-11 3.776e-11 -10.230 -10.423 -0.193 (0) - Sr(S2O3) 1.883e-17 1.883e-17 -16.725 -16.725 0.000 (0) + Sr(OH)+ 5.868e-11 3.760e-11 -10.232 -10.425 -0.193 (0) + Sr(S2O3) 4.247e-18 4.247e-18 -17.372 -17.372 0.000 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - Acmite -0.69 0.23 0.92 NaFeSi2O6 + Acmite -0.50 0.39 0.89 NaFeSi2O6 Afwillite -20.80 28.62 49.42 Ca3Si2O4(OH)6 Anhydrite -0.15 -4.59 -4.44 Ca(SO4) - Antarcticite -6.97 -3.03 3.94 CaCl2:6H2O - Antigorite -57.25 442.91 500.16 Mg48Si34O85(OH)62 + Antarcticite -6.98 -3.04 3.94 CaCl2:6H2O + Antigorite -57.51 442.38 499.89 Mg48Si34O85(OH)62 Aragonite -0.17 -8.48 -8.31 CaCO3 Arcanite -6.07 -7.92 -1.85 K2SO4 - Artinite -6.61 3.20 9.81 Mg2(CO3)(OH)2:3H2O + Artinite -6.63 3.18 9.81 Mg2(CO3)(OH)2:3H2O Bassanite -0.68 -4.60 -3.92 CaSO4:0.5H2O - Bischofite -7.65 -3.19 4.46 MgCl2:6H2O + Bischofite -7.67 -3.21 4.46 MgCl2:6H2O Bloedite -5.60 -7.95 -2.35 Na2Mg(SO4)2:4H2O - Brucite -5.23 11.87 17.10 Mg(OH)2 - Burkeite -12.59 -13.36 -0.77 Na6(CO3)(SO4)2 - C(cr) -5.41 48.42 53.83 C - C2SH(alpha) -15.20 20.34 35.54 Ca2(HSiO4)(OH) - C3FH6 -34.38 38.01 72.39 Ca3Fe2(OH)12 - C4FH13 -45.17 49.99 95.16 Ca4Fe2(OH)14:6H2O - Ca(s) -93.33 46.51 139.84 Ca - Ca(SO3)(s) -10.23 -16.73 -6.50 Ca(SO3) - Ca2Cl2(OH)2:H2O(s) -17.48 9.05 26.53 Ca2Cl2(OH)2:H2O - Ca2Fe2O5(s) -30.73 26.03 56.76 Ca2Fe2O5 - Ca4Cl2(OH)6:13H2O(s) -35.73 33.00 68.73 Ca4Cl2(OH)6:13H2O + Brucite -5.24 11.86 17.10 Mg(OH)2 + Burkeite -12.58 -13.35 -0.77 Na6(CO3)(SO4)2 + C(cr) -5.74 -37.89 -32.15 C + C2SH(alpha) -15.21 20.33 35.54 Ca2(HSiO4)(OH) + C3FH6 -34.00 38.33 72.33 Ca3Fe2(OH)12 + C4FH13 -44.77 50.31 95.08 Ca4Fe2(OH)14:6H2O + Ca(cr) -93.49 3.36 96.85 Ca + Ca(SO3)(s) -10.39 -16.89 -6.50 Ca(SO3) + Ca2Cl2(OH)2:H2O(s) -17.49 9.04 26.53 Ca2Cl2(OH)2:H2O + Ca2Fe2O5(s) -30.39 26.35 56.74 Ca2Fe2O5 + Ca4Cl2(OH)6:13H2O(s) -35.74 32.99 68.73 Ca4Cl2(OH)6:13H2O CaCl2:2H2O(cr) -10.95 -3.00 7.95 CaCl2:2H2O - CaCl2:4H2O(cr) -8.36 -3.01 5.35 CaCl2:4H2O + CaCl2:4H2O(cr) -8.37 -3.02 5.35 CaCl2:4H2O CaCl2:H2O(s) -10.84 -2.99 7.85 CaCl2:H2O CaCO3:H2O(s) -0.89 -8.49 -7.60 CaCO3:H2O - CaFe2O4(s) -7.25 13.99 21.24 CaFe2O4 + CaFe2O4(s) -6.93 14.31 21.24 CaFe2O4 Calcite 0.00 -8.48 -8.48 CaCO3 - CaMg3(CO3)4(s) -3.59 -34.40 -30.81 CaMg3(CO3)4 + CaMg3(CO3)4(s) -3.62 -34.43 -30.81 CaMg3(CO3)4 CaO(cr) -20.66 12.04 32.70 CaO - Carnallite -10.68 -6.35 4.33 KMgCl3:6H2O - Celestite -0.00 -6.62 -6.62 Sr(SO4) - CH4(g) -13.56 117.35 130.91 CH4 - Cl2(g) -52.48 -49.49 2.99 Cl2 - CO(g) -14.40 13.95 28.35 CO + Carnallite -10.69 -6.36 4.33 KMgCl3:6H2O + Celestite 0.00 -6.62 -6.62 Sr(SO4) + CH4(g) -14.22 -55.27 -41.05 CH4 + Chukanovite -3.82 -0.85 2.97 Fe2(OH)2CO3 + Cl2(g) -52.32 -6.34 45.98 Cl2 + CO(g) -14.56 -29.20 -14.64 CO CO2(g) -2.37 -20.52 -18.15 CO2 Cristobalite -0.58 -3.74 -3.16 SiO2 - Cronstedtite-Th 1.52 17.63 16.11 Fe4SiO5(OH)4 + Cronstedtite-Th 2.08 18.19 16.11 Fe4SiO5(OH)4 CSH0.8 -5.17 5.88 11.05 Ca0.8SiO2.8:1.54H2O CSH1.2 -8.61 10.69 19.30 Ca1.2SiO3.2:2.06H2O CSH1.6 -12.50 15.50 28.00 Ca1.6SiO3.6:2.58H2O - Dolomite 0.00 -17.12 -17.12 CaMg(CO3)2 - Epsonite -2.94 -4.82 -1.88 Mg(SO4):7H2O - Ettringite-Fe -30.56 23.99 54.55 Ca6Fe2(SO4)3(OH)12:26H2O - Fayalite -3.80 15.71 19.51 Fe2(SiO4) - Fe(OH)2(cr) -3.05 9.71 12.76 Fe(OH)2 - Fe(s) -14.66 44.19 58.85 Fe - FeO(s) -3.65 9.72 13.37 FeO - Ferrihydrite(am) -1.58 0.96 2.54 Fe(OH)3 - Ferrosilite -26.73 5.98 32.71 FeSiO3 - Ferryhydrite -0.23 0.96 1.19 Fe(OH)3 - FeS(am) -4.34 -7.29 -2.95 FeS - Foshagite -29.02 36.94 65.96 Ca4Si3O9(OH)2:0.5H2O + Dolomite 0.00 -17.13 -17.13 CaMg(CO3)2 + Epsonite -2.95 -4.83 -1.88 Mg(SO4):7H2O + Ettringite-Fe -30.24 24.31 54.55 Ca6Fe2(SO4)3(OH)12:26H2O + Fayalite -3.61 15.94 19.55 Fe2(SiO4) + Fe(alpha,cr) -14.73 1.16 15.89 Fe + Fe(OH)2(cr) -2.95 9.83 12.78 Fe(OH)2 + Fe0.932O(s) -3.75 9.76 13.51 Fe0.932O + Fe3O4(s) -0.49 12.11 12.60 Fe3O4 + FeO(s) -3.55 9.84 13.39 FeO + Ferrihydrite(am) -2.80 1.12 3.92 Fe(OH)3 + Ferrihydrite(cr) -0.10 1.12 1.22 Fe(OH)3 + Ferrihydrite(s) -1.66 1.12 2.78 Fe(OH)3 + Ferrosilite -26.61 6.10 32.71 FeSiO3 + FeS(am) -4.88 -7.83 -2.95 FeS + Foshagite -29.03 36.93 65.96 Ca4Si3O9(OH)2:0.5H2O Gaylussite -6.14 -15.57 -9.43 CaNa2(CO3)2:5H2O - Glaserite -19.32 -26.93 -7.61 Na2K6(SO4)4 + Glaserite -19.31 -26.92 -7.61 Na2K6(SO4)4 Glauberite -9.72 -7.75 1.97 Na2Ca(SO4)2 - Goethite 0.58 0.97 0.39 FeOOH - Greenalite -0.10 21.67 21.77 Fe3Si2O5(OH)4 - Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O + Goethite 0.96 1.13 0.17 FeOOH + GR-Cl -5.64 36.16 41.80 Fe3Fe(OH)8Cl + GR-CO3 -8.37 47.13 55.50 Fe4Fe2(OH)12CO3:2H2O + GR-SO4 -7.26 51.04 58.30 Fe4Fe2(OH)12SO4 + Greenalite 0.21 22.03 21.82 Fe3Si2O5(OH)4 + Greigite -17.45 -32.48 -15.03 Fe3S4 + Gypsum -0.00 -4.61 -4.61 CaSO4:2H2O Gyrolite -9.50 12.84 22.34 Ca2Si3O7.5(OH):2H2O - H2(g) -8.53 34.46 42.99 H2 - H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -9.02 -17.02 -8.00 H2S + H2(g) -8.69 -8.69 0.00 H2 + H2O(g) -1.50 -43.00 -41.50 H2O + H2S(g) -9.68 -17.68 -8.00 H2S Halite -2.36 -0.77 1.59 NaCl - HCl(g) -13.80 -7.51 6.29 HCl - Hematite 2.96 1.94 -1.02 Fe2O3 - Hexahydrite -3.17 -4.81 -1.64 Mg(SO4):6H2O + HCl(g) -13.81 -7.52 6.29 HCl + Hematite(cr) 3.10 2.27 -0.83 Fe2O3 + Hematite(s) 2.37 2.27 -0.10 Fe2O3 + Hexahydrite -3.18 -4.82 -1.64 Mg(SO4):6H2O Hillebrandite -16.62 20.33 36.95 Ca2SiO3(OH)2:0.17H2O Hydrophilite -14.75 -2.98 11.77 CaCl2 - Jaffeite -49.31 64.75 114.06 Ca6(Si2O7)(OH)6 - Jennite -61.49 85.84 147.33 Ca9Si6O16(OH)10:6(H2O) - K(cr) -49.39 21.59 70.99 K + Jaffeite -49.32 64.74 114.06 Ca6(Si2O7)(OH)6 + Jennite -61.50 85.83 147.33 Ca9Si6O16(OH)10:6H2O + K(cr) -49.48 0.01 49.49 K K(OH)(s) -20.25 4.35 24.60 K(OH) - K-carbonate -14.86 -11.83 3.03 K2CO3:1.5H2O + K-carbonate -14.85 -11.82 3.03 K2CO3:1.5H2O K-trona -16.52 -25.62 -9.10 K2NaH(CO3)2:2H2O K2CO3(cr) -17.22 -11.81 5.41 K2CO3 K2O(s) -75.40 8.71 84.11 K2O - Kainite -7.74 -7.93 -0.19 KMgCl(SO4):3H2O + Kainite -7.76 -7.95 -0.19 KMgCl(SO4):3H2O Kalicinite -6.11 -16.17 -10.06 KHCO3 - Lansfordite -3.65 -8.69 -5.04 Mg(CO3):5H2O - Lawrencite -14.19 -5.30 8.89 FeCl2 - Leonhardtite -3.90 -4.79 -0.89 MgSO4:4H2O - Leonite -8.73 -12.71 -3.98 K2Mg(SO4)2:4H2O - Lepidocrocite 0.22 0.97 0.75 FeOOH - Lizardite -4.95 28.15 33.10 Mg3Si2O5(OH)4 - Mackinawite -3.69 -7.29 -3.60 FeS - Maghemite(disord) -1.37 1.94 3.31 Fe2O3 - Maghemite(ord) -1.58 1.94 3.52 Fe2O3 - Magnesite(nat) 0.27 -8.64 -8.91 MgCO3 - Magnesite(syn) -0.54 -8.64 -8.10 Mg(CO3) - Magnetite 1.26 11.67 10.41 Fe3O4 - Melanterite -4.77 -6.98 -2.21 FeSO4:7H2O + Lansfordite -3.66 -8.70 -5.04 Mg(CO3):5H2O + Lawrencite -14.11 -5.18 8.93 FeCl2 + Leonhardtite -3.91 -4.80 -0.89 MgSO4:4H2O + Leonite -8.74 -12.72 -3.98 K2Mg(SO4)2:4H2O + Lepidocrocite -0.73 1.13 1.86 FeOOH + Lizardite -4.96 28.12 33.08 Mg3Si2O5(OH)4 + Mackinawite -4.64 -7.83 -3.19 FeS + Maghemite -0.52 2.27 2.79 Fe2O3 + Magnesite(nat) 0.26 -8.65 -8.91 MgCO3 + Magnesite(syn) -0.55 -8.65 -8.10 Mg(CO3) + Magnetite 1.77 12.11 10.34 Fe3O4 + Melanterite -4.58 -6.86 -2.28 FeSO4:7H2O Mercallite -10.88 -12.28 -1.40 KHSO4 - Mg(cr) -76.42 46.35 122.77 Mg - Mg(SO4)(s) -13.85 -4.75 9.10 Mg(SO4) - Mg(SO4):H2O(s) -4.64 -4.76 -0.12 Mg(SO4):H2O - Mg-oxychlorur -9.83 16.20 26.03 Mg2Cl(OH)3:4H2O - Mg5(CO3)4(OH)2:4H2O(s) -12.41 -22.72 -10.31 Mg5(CO3)4(OH)2:4H2O - MgCl2(s) -25.17 -3.14 22.03 MgCl2 - MgCl2:2H2O(s) -16.06 -3.16 12.90 MgCl2:2H2O - MgCl2:4H2O(s) -10.61 -3.17 7.44 MgCl2:4H2O - MgCl2:H2O(s) -19.37 -3.15 16.22 MgCl2:H2O - Minnesotaite -0.73 14.20 14.93 Fe3Si4O10(OH)2 + Mg(cr) -76.59 3.19 79.78 Mg + Mg(SO4)(s) -13.86 -4.76 9.10 Mg(SO4) + Mg(SO4):H2O(s) -4.65 -4.77 -0.12 Mg(SO4):H2O + Mg-oxychlorur -9.85 16.18 26.03 Mg2Cl(OH)3:4H2O + Mg5(CO3)4(OH)2:4H2O(s) -12.47 -22.78 -10.31 Mg5(CO3)4(OH)2:4H2O + MgCl2(s) -25.18 -3.15 22.03 MgCl2 + MgCl2:2H2O(s) -16.07 -3.17 12.90 MgCl2:2H2O + MgCl2:4H2O(s) -10.63 -3.19 7.44 MgCl2:4H2O + MgCl2:H2O(s) -19.38 -3.16 16.22 MgCl2:H2O + Minnesotaite -0.43 14.56 14.99 Fe3Si4O10(OH)2 Mirabilite -2.02 -3.25 -1.23 Na2SO4:10H2O - Monosulfate-Fe -32.68 33.37 66.05 Ca4Fe2(SO4)(OH)12:6H2O - Na(cr) -43.41 23.97 67.38 Na - Na2(CO3)(cr) -8.17 -7.05 1.12 Na2(CO3) + Monosulfate-Fe -32.36 33.69 66.05 Ca4Fe2(SO4)(OH)12:6H2O + Na(cr) -43.49 2.40 45.89 Na + Na2(CO3)(cr) -8.16 -7.04 1.12 Na2(CO3) Na2CO3:7H2O(s) -6.65 -7.11 -0.46 Na2CO3:7H2O Na2O(cr) -53.98 13.48 67.46 Na2O Nahcolite -3.05 -13.79 -10.74 Na(HCO3) Natron -6.31 -7.14 -0.83 Na2(CO3):10H2O - Nesquehonite -3.57 -8.67 -5.10 Mg(CO3):3H2O - O2(g) -66.04 -68.94 -2.90 O2 + Nesquehonite -3.58 -8.68 -5.10 Mg(CO3):3H2O + O2(g) -65.73 -68.63 -2.90 O2 Okenite -4.64 4.54 9.18 CaSi2O5:2H2O - Pentahydrite -3.52 -4.80 -1.28 MgSO4:5H2O - Periclase -9.70 11.88 21.58 MgO - Picromerite -8.40 -12.73 -4.33 K2Mg(SO4)2:6H2O - Pirssonite -6.64 -15.55 -8.91 Na2Ca(CO3)2:2H2O + Pentahydrite -3.53 -4.81 -1.28 MgSO4:5H2O + Periclase -9.71 11.87 21.58 MgO + Picromerite -8.41 -12.74 -4.33 K2Mg(SO4)2:6H2O + Pirssonite -6.63 -15.54 -8.91 Na2Ca(CO3)2:2H2O Polyhalite -8.14 -21.88 -13.74 K2MgCa2(SO4)4:2H2O Portlandite -10.78 12.03 22.81 Ca(OH)2 - Pyrite -0.00 -58.78 -58.78 FeS2 - Pyrrhotite -1.86 -13.04 -11.18 Fe0.87S + Pyrite -0.00 -16.82 -16.82 FeS2 + Pyrrhotite -2.66 -7.98 -5.32 Fe0.87S Quartz 0.00 -3.74 -3.74 SiO2 - S(cr) -6.36 -51.49 -45.13 S - Si(cr) -83.97 65.20 149.17 Si - Siderite 0.00 -10.80 -10.80 Fe(CO3) + S(cr) -6.85 -8.99 -2.14 S + Schwertmannite(cr) -16.32 -7.60 8.72 Fe8O8(OH)6SO4 + Si(cr) -84.29 -21.10 63.19 Si + Siderite 0.00 -10.68 -10.68 Fe(CO3) SiO2(am) -1.03 -3.74 -2.71 SiO2 - SO2(g) -19.83 -28.77 -8.94 SO2 - Sr(cr) -97.29 44.49 141.78 Sr + SO2(g) -19.99 -28.93 -8.94 SO2 + Sr(cr) -97.46 1.33 98.79 Sr Sr(OH)2(s) -17.51 10.00 27.51 Sr(OH)2 Sr(OH)2:8H2O(s) -14.39 9.93 24.32 Sr(OH)2:8H2O Sr2SiO4(s) -26.96 16.29 43.25 Sr2SiO4 SrCl2(s) -13.13 -5.01 8.12 SrCl2 - SrCl2:2H2O(s) -8.49 -5.02 3.47 SrCl2:2H2O - SrCl2:6H2O(s) -6.67 -5.06 1.61 SrCl2:6H2O + SrCl2:2H2O(s) -8.50 -5.03 3.47 SrCl2:2H2O + SrCl2:6H2O(s) -6.68 -5.07 1.61 SrCl2:6H2O SrCl2:H2O(s) -9.93 -5.02 4.91 SrCl2:H2O SrO(cr) -31.97 10.01 41.98 SrO - SrS(s) -21.68 -7.00 14.68 SrS + SrS(s) -22.34 -7.66 14.68 SrS SrSiO3(s) -6.89 6.27 13.16 SrSiO3 Strontianite -1.24 -10.51 -9.27 Sr(CO3) - Sylvite -4.02 -3.15 0.87 KCl + Sylvite -4.03 -3.16 0.87 KCl Syngenite -5.12 -12.57 -7.45 K2Ca(SO4)2:6H2O - Tachyhydrite -26.74 -9.36 17.38 Mg2CaCl6:12H2O - Talc -4.26 20.68 24.94 Mg3Si4O10(OH)2 - Thermonatrite -7.54 -7.06 0.48 Na2(CO3):H2O - Thernardite -2.80 -3.16 -0.36 Na2SO4 + Tachyhydrite -26.78 -9.40 17.38 Mg2CaCl6:12H2O + Talc -4.27 20.65 24.92 Mg3Si4O10(OH)2 + Thenardite -2.80 -3.16 -0.36 Na2SO4 + Thermonatrite -7.53 -7.05 0.48 Na2(CO3):H2O Tobermorite-11A -27.86 37.72 65.58 Ca5Si6O16.5(OH):5H2O Tobermorite-14A -25.27 37.67 62.94 Ca5Si6O16.5(OH):10H2O - Troilite -1.98 -7.29 -5.31 FeS - Trona -9.48 -20.86 -11.38 Na3H(CO3)2:2H2O - Truscottite -37.69 39.39 77.08 Ca7Si12O29(OH)4:H2O + Troilite -3.84 -7.83 -3.99 FeS + Trona -9.47 -20.85 -11.38 Na3H(CO3)2:2H2O + Truscottite -37.70 39.38 77.08 Ca7Si12O29(OH)4:H2O Vaterite -0.58 -8.48 -7.90 CaCO3 - Xonotlite -41.53 49.81 91.34 Ca6Si6O17(OH)2 + Xonotlite -41.54 49.80 91.34 Ca6Si6O17(OH)2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2075,369 +2001,354 @@ Reaction 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.000e+00 9.937e-01 -6.268e-03 -Celestite -0.00 -6.62 -6.62 1.000e+00 1.000e+00 4.262e-05 -Dolomite 0.00 -17.12 -17.12 1.000e+00 1.003e+00 3.245e-03 -Gypsum 0.00 -4.61 -4.61 0.000e+00 8.444e-03 8.444e-03 -Pyrite 0.00 -58.78 -58.78 1.000e+00 1.000e+00 6.566e-12 -Quartz 0.00 -3.74 -3.74 1.000e+00 1.000e+00 4.952e-05 -Siderite 0.00 -10.80 -10.80 1.000e+00 9.998e-01 -2.000e-04 +Calcite 0.00 -8.48 -8.48 1.000e+00 9.939e-01 -6.096e-03 +Celestite 0.00 -6.62 -6.62 1.000e+00 1.000e+00 4.341e-05 +Dolomite 0.00 -17.13 -17.13 1.000e+00 1.003e+00 3.216e-03 +Gypsum 0.00 -4.61 -4.61 0.000e+00 8.347e-03 8.347e-03 +Pyrite 0.00 -16.82 -16.82 1.000e+00 1.000e+00 1.648e-10 +Quartz -0.00 -3.74 -3.74 1.000e+00 1.000e+00 4.952e-05 +Siderite 0.00 -10.68 -10.68 1.000e+00 9.997e-01 -3.115e-04 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 2.031e-03 1.482e-03 - Ca 3.407e-02 2.485e-02 - Cl 6.851e-01 4.997e-01 - Fe 2.741e-04 2.000e-04 + C 2.032e-03 1.482e-03 + Ca 3.387e-02 2.471e-02 + Cl 6.831e-01 4.983e-01 + Fe 4.271e-04 3.115e-04 K 2.738e-03 1.998e-03 - Mg 2.801e-02 2.044e-02 + Mg 2.720e-02 1.984e-02 Na 6.388e-01 4.660e-01 - S 4.010e-02 2.925e-02 - Si 1.743e-04 1.271e-04 - Sr 4.493e-04 3.277e-04 + S 4.023e-02 2.935e-02 + Si 1.743e-04 1.272e-04 + Sr 4.462e-04 3.255e-04 ----------------------------Description of solution---------------------------- - pH = 7.116 Charge balance - pe = -2.848 Adjusted to redox equilibrium + pH = 7.117 Charge balance + pe = -2.766 Adjusted to redox equilibrium Activity of water = 0.977 - Ionic strength (mol/kgw) = 8.226e-01 + Ionic strength (mol/kgw) = 8.206e-01 Mass of water (kg) = 7.295e-01 - Total alkalinity (eq/kg) = 1.897e-03 - Total CO2 (mol/kg) = 2.031e-03 + Total alkalinity (eq/kg) = 1.893e-03 + Total CO2 (mol/kg) = 2.032e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 5.076e-11 + Electrical balance (eq) = 1.331e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 25 + Iterations = 24 Gamma iterations = 8 - Osmotic coefficient = 0.91778 - Total H = 8.098815e+01 - Total O = 4.061499e+01 + Osmotic coefficient = 0.91774 + Total H = 8.098608e+01 + Total O = 4.061434e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.888e-07 1.275e-07 -6.724 -6.894 -0.170 (0) - H+ 9.972e-08 7.660e-08 -7.001 -7.116 -0.115 0.00 + OH- 1.892e-07 1.278e-07 -6.723 -6.893 -0.170 (0) + H+ 9.955e-08 7.644e-08 -7.002 -7.117 -0.115 0.00 H2O 5.551e+01 9.769e-01 1.744 -0.010 0.000 18.07 -C(-4) 3.950e-17 - CH4 3.950e-17 3.950e-17 -16.403 -16.403 0.000 (0) -C(4) 2.031e-03 - HCO3- 1.450e-03 9.231e-04 -2.839 -3.035 -0.196 (0) - Na(HCO3) 2.193e-04 2.193e-04 -3.659 -3.659 0.000 (0) - CO2 1.620e-04 1.620e-04 -3.790 -3.790 0.000 (0) - Ca(HCO3)+ 1.072e-04 6.828e-05 -3.970 -4.166 -0.196 (0) - Mg(HCO3)+ 6.459e-05 4.113e-05 -4.190 -4.386 -0.196 (0) - Fe(CO3) 7.763e-06 7.763e-06 -5.110 -5.110 0.000 (0) - Na(CO3)- 6.963e-06 4.435e-06 -5.157 -5.353 -0.196 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - CO3-2 3.855e-06 5.637e-07 -5.414 -6.249 -0.835 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Sr(HCO3)+ 1.202e-06 7.655e-07 -5.920 -6.116 -0.196 (0) - FeHCO3+ 1.123e-06 7.149e-07 -5.950 -6.146 -0.196 (0) - FeCO3OH- 2.962e-08 1.886e-08 -7.528 -7.724 -0.196 (0) +C(-4) 4.783e-18 + CH4 4.783e-18 4.783e-18 -17.320 -17.320 0.000 (0) + CH3- 0.000e+00 0.000e+00 -56.008 -56.204 -0.196 (0) +C(4) 2.032e-03 + HCO3- 1.456e-03 9.273e-04 -2.837 -3.033 -0.196 (0) + Na(HCO3) 2.203e-04 2.203e-04 -3.657 -3.657 0.000 (0) + CO2 1.624e-04 1.624e-04 -3.789 -3.789 0.000 (0) + Ca(HCO3)+ 1.070e-04 6.813e-05 -3.971 -4.167 -0.196 (0) + Mg(HCO3)+ 6.298e-05 4.012e-05 -4.201 -4.397 -0.196 (0) + Na(CO3)- 7.007e-06 4.464e-06 -5.154 -5.350 -0.196 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + FeCO3 3.890e-06 3.890e-06 -5.410 -5.410 0.000 (0) + CO3-2 3.876e-06 5.674e-07 -5.412 -6.246 -0.835 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Sr(HCO3)+ 1.199e-06 7.639e-07 -5.921 -6.117 -0.196 (0) Sr(CO3) 1.994e-08 1.994e-08 -7.700 -7.700 0.000 (0) - FeCO3OH 1.613e-09 1.613e-09 -8.792 -8.792 0.000 (0) - Fe(CO3)2-2 1.531e-09 2.518e-10 -8.815 -9.599 -0.784 (0) - Fe(CO3)3-3 7.046e-14 1.214e-15 -13.152 -14.916 -1.764 (0) - CO 4.017e-18 4.017e-18 -17.396 -17.396 0.000 (0) -Ca 3.407e-02 - Ca+2 2.870e-02 5.875e-03 -1.542 -2.231 -0.689 (0) + Fe(OH)CO3 2.042e-09 2.042e-09 -8.690 -8.690 0.000 (0) + Fe(CO3)2-2 7.895e-10 1.300e-10 -9.103 -9.886 -0.783 (0) + Fe(CO3)3-3 5.943e-14 1.026e-15 -13.226 -14.989 -1.763 (0) + CO 2.757e-18 2.757e-18 -17.559 -17.559 0.000 (0) +Ca 3.387e-02 + Ca+2 2.850e-02 5.836e-03 -1.545 -2.234 -0.689 (0) Ca(SO4) 5.252e-03 5.252e-03 -2.280 -2.280 0.000 (0) - Ca(HCO3)+ 1.072e-04 6.828e-05 -3.970 -4.166 -0.196 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - Ca(H3SiO4)+ 3.093e-08 1.970e-08 -7.510 -7.706 -0.196 (0) - Ca(OH)+ 1.953e-08 1.243e-08 -7.709 -7.905 -0.196 (0) - Ca(S2O3) 1.540e-15 1.540e-15 -14.813 -14.813 0.000 (0) -Cl 6.851e-01 - Cl- 6.783e-01 4.593e-01 -0.169 -0.338 -0.169 (0) - MgCl+ 6.561e-03 4.179e-03 -2.183 -2.379 -0.196 (0) - SrCl+ 6.710e-05 4.273e-05 -4.173 -4.369 -0.196 (0) - FeCl3- 4.480e-05 2.853e-05 -4.349 -4.545 -0.196 (0) - FeCl+ 2.799e-05 1.783e-05 -4.553 -4.749 -0.196 (0) - FeCl2 1.791e-06 1.791e-06 -5.747 -5.747 0.000 (0) - HCl 6.860e-09 6.860e-09 -8.164 -8.164 0.000 (0) - FeCl+2 2.736e-19 4.500e-20 -18.563 -19.347 -0.784 (0) - FeCl2+ 1.627e-19 1.036e-19 -18.789 -18.985 -0.196 (0) - FeCl3 5.098e-21 5.098e-21 -20.293 -20.293 0.000 (0) - FeCl4- 4.420e-23 2.815e-23 -22.355 -22.551 -0.196 (0) - Cl2 0.000e+00 0.000e+00 -53.582 -53.582 0.000 (0) - ClO4- 0.000e+00 0.000e+00 -154.149 -154.325 -0.176 (0) -Fe(2) 2.741e-04 - Fe+2 1.709e-04 2.812e-05 -3.767 -4.551 -0.784 (0) - FeCl3- 4.480e-05 2.853e-05 -4.349 -4.545 -0.196 (0) - FeCl+ 2.799e-05 1.783e-05 -4.553 -4.749 -0.196 (0) - Fe(SO4) 1.951e-05 1.951e-05 -4.710 -4.710 0.000 (0) - Fe(CO3) 7.763e-06 7.763e-06 -5.110 -5.110 0.000 (0) - FeCl2 1.791e-06 1.791e-06 -5.747 -5.747 0.000 (0) - FeHCO3+ 1.123e-06 7.149e-07 -5.950 -6.146 -0.196 (0) - Fe(OH)+ 1.781e-07 1.134e-07 -6.749 -6.945 -0.196 (0) - FeCO3OH- 2.962e-08 1.886e-08 -7.528 -7.724 -0.196 (0) - Fe(CO3)2-2 1.531e-09 2.518e-10 -8.815 -9.599 -0.784 (0) - Fe(HS)+ 1.252e-10 7.973e-11 -9.902 -10.098 -0.196 (0) - Fe(HSO4)+ 1.740e-11 1.108e-11 -10.760 -10.955 -0.196 (0) - Fe(OH)2 1.149e-11 1.149e-11 -10.940 -10.940 0.000 (0) - Fe(OH)3- 1.153e-15 7.342e-16 -14.938 -15.134 -0.196 (0) - Fe(HS)2 1.331e-18 1.331e-18 -17.876 -17.876 0.000 (0) - Fe(OH)4-2 4.522e-22 7.438e-23 -21.345 -22.129 -0.784 (0) -Fe(3) 1.618e-09 - FeCO3OH 1.613e-09 1.613e-09 -8.792 -8.792 0.000 (0) - Fe(OH)3 2.228e-12 2.228e-12 -11.652 -11.652 0.000 (0) - Fe(OH)2+ 2.130e-12 1.356e-12 -11.672 -11.868 -0.196 (0) - Fe(CO3)3-3 7.046e-14 1.214e-15 -13.152 -14.916 -1.764 (0) - Fe(OH)4- 4.069e-14 2.592e-14 -13.390 -13.586 -0.196 (0) - Fe(OH)+2 1.460e-15 3.212e-16 -14.836 -15.493 -0.658 (0) - Fe(H3SiO4)+2 1.231e-16 2.025e-17 -15.910 -16.693 -0.784 (0) - Fe(SO4)+ 3.376e-19 2.150e-19 -18.472 -18.668 -0.196 (0) - FeCl+2 2.736e-19 4.500e-20 -18.563 -19.347 -0.784 (0) - Fe+3 2.264e-19 3.900e-21 -18.645 -20.409 -1.764 (0) - FeCl2+ 1.627e-19 1.036e-19 -18.789 -18.985 -0.196 (0) - Fe(SO4)2- 2.950e-20 1.878e-20 -19.530 -19.726 -0.196 (0) - FeCl3 5.098e-21 5.098e-21 -20.293 -20.293 0.000 (0) - FeCl4- 4.420e-23 2.815e-23 -22.355 -22.551 -0.196 (0) - FeHSO4+2 2.347e-25 3.861e-26 -24.629 -25.413 -0.784 (0) - Fe2(OH)2+4 3.793e-27 2.776e-30 -26.421 -29.557 -3.136 (0) - FeS2O3+ 1.605e-31 1.022e-31 -30.794 -30.990 -0.196 (0) - Fe3(OH)4+5 6.238e-35 7.866e-40 -34.205 -39.104 -4.899 (0) -H(0) 4.845e-12 - H2 2.422e-12 2.422e-12 -11.616 -11.616 0.000 (0) + Ca(HCO3)+ 1.070e-04 6.813e-05 -3.971 -4.167 -0.196 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + Ca(H3SiO4)+ 3.079e-08 1.961e-08 -7.512 -7.707 -0.196 (0) + Ca(OH)+ 1.943e-08 1.238e-08 -7.711 -7.907 -0.196 (0) + Ca(S2O3) 9.785e-17 9.785e-17 -16.009 -16.009 0.000 (0) +Cl 6.831e-01 + Cl- 6.765e-01 4.581e-01 -0.170 -0.339 -0.169 (0) + MgCl+ 6.353e-03 4.047e-03 -2.197 -2.393 -0.196 (0) + FeCl+ 2.064e-04 1.687e-04 -3.685 -3.773 -0.088 (0) + SrCl+ 6.648e-05 4.235e-05 -4.177 -4.373 -0.196 (0) + FeCl2+ 3.072e-19 1.957e-19 -18.513 -18.708 -0.196 (0) + FeCl+2 1.910e-19 8.523e-20 -18.719 -19.069 -0.351 (0) + FeCl3 5.656e-21 5.656e-21 -20.247 -20.247 0.000 (0) + FeCl4- 4.068e-23 2.591e-23 -22.391 -22.586 -0.196 (0) + Cl2 0.000e+00 0.000e+00 -53.421 -53.421 0.000 (0) + ClO4- 0.000e+00 0.000e+00 -153.192 -153.368 -0.176 (0) +Fe(2) 4.271e-04 + FeCl+ 2.064e-04 1.687e-04 -3.685 -3.773 -0.088 (0) + Fe+2 1.716e-04 3.682e-05 -3.765 -4.434 -0.668 (0) + Fe(SO4) 4.470e-05 4.470e-05 -4.350 -4.350 0.000 (0) + FeCO3 3.890e-06 3.890e-06 -5.410 -5.410 0.000 (0) + Fe(OH)+ 4.154e-07 2.646e-07 -6.381 -6.577 -0.196 (0) + Fe(CO3)2-2 7.895e-10 1.300e-10 -9.103 -9.886 -0.783 (0) + Fe(HS)+ 3.620e-11 2.306e-11 -10.441 -10.637 -0.196 (0) + Fe(OH)2 8.693e-12 8.693e-12 -11.061 -11.061 0.000 (0) + Fe(OH)3- 1.744e-17 1.111e-17 -16.758 -16.954 -0.196 (0) + Fe(HS)2 8.505e-20 8.505e-20 -19.070 -19.070 0.000 (0) + Fe(OH)4-2 2.855e-22 4.701e-23 -21.544 -22.328 -0.783 (0) +Fe(3) 2.068e-09 + Fe(OH)CO3 2.042e-09 2.042e-09 -8.690 -8.690 0.000 (0) + Fe(OH)2+ 2.283e-11 1.454e-11 -10.641 -10.837 -0.196 (0) + Fe(OH)3 3.230e-12 3.230e-12 -11.491 -11.491 0.000 (0) + Fe(CO3)3-3 5.943e-14 1.026e-15 -13.226 -14.989 -1.763 (0) + Fe(OH)4- 5.910e-14 3.764e-14 -13.228 -13.424 -0.196 (0) + Fe(OH)+2 2.311e-15 5.083e-16 -14.636 -15.294 -0.658 (0) + Fe(H3SiO4)+2 1.776e-16 2.924e-17 -15.751 -16.534 -0.783 (0) + Fe(SO4)+ 6.913e-19 4.403e-19 -18.160 -18.356 -0.196 (0) + FeCl2+ 3.072e-19 1.957e-19 -18.513 -18.708 -0.196 (0) + Fe(SO4)2- 2.843e-19 1.811e-19 -18.546 -18.742 -0.196 (0) + FeCl+2 1.910e-19 8.523e-20 -18.719 -19.069 -0.351 (0) + Fe+3 9.962e-20 5.619e-21 -19.002 -20.250 -1.249 (0) + FeCl3 5.656e-21 5.656e-21 -20.247 -20.247 0.000 (0) + FeCl4- 4.068e-23 2.591e-23 -22.391 -22.586 -0.196 (0) + Fe2(OH)2+4 1.062e-26 7.804e-30 -25.974 -29.108 -3.134 (0) + FeS2O3+ 5.247e-32 3.342e-32 -31.280 -31.476 -0.196 (0) + Fe3(OH)4+5 1.869e-34 2.371e-39 -33.728 -38.625 -4.897 (0) +H(0) 3.317e-12 + H2 1.658e-12 1.658e-12 -11.780 -11.780 0.000 (0) K 2.738e-03 K+ 2.738e-03 1.744e-03 -2.563 -2.758 -0.196 (0) -Mg 2.801e-02 - Mg+2 1.836e-02 4.064e-03 -1.736 -2.391 -0.655 (0) - MgCl+ 6.561e-03 4.179e-03 -2.183 -2.379 -0.196 (0) - Mg(SO4) 3.022e-03 3.022e-03 -2.520 -2.520 0.000 (0) - Mg(HCO3)+ 6.459e-05 4.113e-05 -4.190 -4.386 -0.196 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Mg(OH)+ 1.700e-07 1.083e-07 -6.769 -6.965 -0.196 (0) - Mg(H3SiO4)+ 3.805e-08 2.423e-08 -7.420 -7.616 -0.196 (0) - Mg(S2O3) 8.860e-16 8.860e-16 -15.053 -15.053 0.000 (0) - Mg4(OH)4+4 1.753e-18 1.283e-21 -17.756 -20.892 -3.136 (0) +Mg 2.720e-02 + Mg+2 1.783e-02 3.946e-03 -1.749 -2.404 -0.655 (0) + MgCl+ 6.353e-03 4.047e-03 -2.197 -2.393 -0.196 (0) + Mg(SO4) 2.953e-03 2.953e-03 -2.530 -2.530 0.000 (0) + Mg(HCO3)+ 6.298e-05 4.012e-05 -4.201 -4.397 -0.196 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Mg(OH)+ 1.654e-07 1.054e-07 -6.781 -6.977 -0.196 (0) + Mg(H3SiO4)+ 3.701e-08 2.358e-08 -7.432 -7.628 -0.196 (0) + Mg(S2O3) 1.952e-16 1.952e-16 -15.709 -15.709 0.000 (0) + Mg4(OH)4+4 1.565e-18 1.150e-21 -17.806 -20.939 -3.134 (0) Na 6.388e-01 Na+ 6.386e-01 4.225e-01 -0.195 -0.374 -0.179 (0) - Na(HCO3) 2.193e-04 2.193e-04 -3.659 -3.659 0.000 (0) - Na(CO3)- 6.963e-06 4.435e-06 -5.157 -5.353 -0.196 (0) - Na(S2O3)- 8.918e-15 5.679e-15 -14.050 -14.246 -0.196 (0) -O(0) -4.016e-18 - CO 4.017e-18 4.017e-18 -17.396 -17.396 0.000 (0) - S2-2 1.011e-21 1.664e-22 -20.995 -21.779 -0.784 (0) - S3-2 3.697e-26 6.081e-27 -25.432 -26.216 -0.784 (0) - S4-2 1.072e-31 1.764e-32 -30.970 -31.753 -0.784 (0) - S4O6-2 2.111e-35 3.473e-36 -34.675 -35.459 -0.784 (0) - S5-2 1.876e-37 3.086e-38 -36.727 -37.511 -0.784 (0) - S3O6-2 0.000e+00 0.000e+00 -42.878 -43.662 -0.784 (0) - Cl2 0.000e+00 0.000e+00 -53.582 -53.582 0.000 (0) - S5O6-2 0.000e+00 0.000e+00 -55.873 -56.657 -0.784 (0) - HSO5- 0.000e+00 0.000e+00 -60.963 -61.159 -0.196 (0) - O2 0.000e+00 0.000e+00 -68.929 -68.929 0.000 (0) - S2O8-2 0.000e+00 0.000e+00 -75.009 -75.793 -0.784 (0) - ClO4- 0.000e+00 0.000e+00 -154.149 -154.325 -0.176 (0) -S(-2) 4.257e-10 - HS- 2.035e-10 1.296e-10 -9.691 -9.887 -0.196 (0) - Fe(HS)+ 1.252e-10 7.973e-11 -9.902 -10.098 -0.196 (0) - H2S 9.702e-11 9.702e-11 -10.013 -10.013 0.000 (0) - Fe(HS)2 1.331e-18 1.331e-18 -17.876 -17.876 0.000 (0) - S-2 8.172e-20 1.344e-20 -19.088 -19.872 -0.784 (0) - S2-2 1.011e-21 1.664e-22 -20.995 -21.779 -0.784 (0) - S3-2 3.697e-26 6.081e-27 -25.432 -26.216 -0.784 (0) - S4-2 1.072e-31 1.764e-32 -30.970 -31.753 -0.784 (0) - S5-2 1.876e-37 3.086e-38 -36.727 -37.511 -0.784 (0) -S(2) 6.285e-14 - S2O3-2 2.006e-14 3.300e-15 -13.698 -14.482 -0.784 (0) - Na(S2O3)- 8.918e-15 5.679e-15 -14.050 -14.246 -0.196 (0) - Ca(S2O3) 1.540e-15 1.540e-15 -14.813 -14.813 0.000 (0) - Mg(S2O3) 8.860e-16 8.860e-16 -15.053 -15.053 0.000 (0) - Sr(S2O3) 1.982e-17 1.982e-17 -16.703 -16.703 0.000 (0) - H(S2O3)- 2.083e-20 1.326e-20 -19.681 -19.877 -0.196 (0) - H2(S2O3) 4.045e-27 4.045e-27 -26.393 -26.393 0.000 (0) - FeS2O3+ 1.605e-31 1.022e-31 -30.794 -30.990 -0.196 (0) -S(3) 1.859e-33 - S2O4-2 9.294e-34 1.529e-34 -33.032 -33.816 -0.784 (0) - HS2O4- 5.814e-39 3.703e-39 -38.236 -38.431 -0.196 (0) - H2S2O4 0.000e+00 0.000e+00 -45.247 -45.247 0.000 (0) -S(4) 2.697e-14 - SO3-2 2.140e-14 3.130e-15 -13.670 -14.504 -0.835 (0) - H(SO3)- 5.568e-15 3.546e-15 -14.254 -14.450 -0.196 (0) - SO2 2.014e-20 2.014e-20 -19.696 -19.696 0.000 (0) - H2(SO3) 1.967e-20 1.967e-20 -19.706 -19.706 0.000 (0) - S2O5-2 2.532e-30 4.165e-31 -29.596 -30.380 -0.784 (0) - S4O6-2 2.111e-35 3.473e-36 -34.675 -35.459 -0.784 (0) - S3O6-2 0.000e+00 0.000e+00 -42.878 -43.662 -0.784 (0) - S5O6-2 0.000e+00 0.000e+00 -55.873 -56.657 -0.784 (0) -S(6) 4.010e-02 - SO4-2 3.176e-02 4.379e-03 -1.498 -2.359 -0.861 (0) + Na(HCO3) 2.203e-04 2.203e-04 -3.657 -3.657 0.000 (0) + Na(CO3)- 7.007e-06 4.464e-06 -5.154 -5.350 -0.196 (0) + Na(S2O3)- 2.024e-15 1.289e-15 -14.694 -14.890 -0.196 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -68.610 -68.610 0.000 (0) +S(-2) 1.025e-10 + HS- 4.494e-11 2.863e-11 -10.347 -10.543 -0.196 (0) + Fe(HS)+ 3.620e-11 2.306e-11 -10.441 -10.637 -0.196 (0) + H2S 2.138e-11 2.138e-11 -10.670 -10.670 0.000 (0) + Fe(HS)2 8.505e-20 8.505e-20 -19.070 -19.070 0.000 (0) + S-2 1.807e-20 2.975e-21 -19.743 -20.527 -0.783 (0) + S2-2 7.200e-23 1.185e-23 -22.143 -22.926 -0.783 (0) + S3-2 8.468e-28 1.394e-28 -27.072 -27.856 -0.783 (0) + S4-2 7.910e-34 1.302e-34 -33.102 -33.885 -0.783 (0) + S5-2 4.453e-40 0.000e+00 -39.351 -40.135 -0.783 (0) +S(2) 1.374e-14 + S2O3-2 4.549e-15 7.489e-16 -14.342 -15.126 -0.783 (0) + Na(S2O3)- 2.024e-15 1.289e-15 -14.694 -14.890 -0.196 (0) + Mg(S2O3) 1.952e-16 1.952e-16 -15.709 -15.709 0.000 (0) + Ca(S2O3) 9.785e-17 9.785e-17 -16.009 -16.009 0.000 (0) + Sr(S2O3) 4.470e-18 4.470e-18 -17.350 -17.350 0.000 (0) + H(S2O3)- 4.717e-21 3.004e-21 -20.326 -20.522 -0.196 (0) + H2(S2O3) 9.143e-28 9.143e-28 -27.039 -27.039 0.000 (0) + FeS2O3+ 5.247e-32 3.342e-32 -31.280 -31.476 -0.196 (0) +S(3) 6.013e-34 + S2O4-2 3.007e-34 4.950e-35 -33.522 -34.305 -0.783 (0) + HS2O4- 1.878e-39 1.197e-39 -38.726 -38.922 -0.196 (0) + H2S2O4 0.000e+00 0.000e+00 -45.739 -45.739 0.000 (0) +S(4) 1.857e-14 + SO3-2 1.474e-14 2.158e-15 -13.831 -14.666 -0.835 (0) + H(SO3)- 3.830e-15 2.440e-15 -14.417 -14.613 -0.196 (0) + SO2 1.383e-20 1.383e-20 -19.859 -19.859 0.000 (0) + H2(SO3) 1.351e-20 1.351e-20 -19.869 -19.869 0.000 (0) + S2O5-2 1.197e-30 1.971e-31 -29.922 -30.705 -0.783 (0) + S4O6-2 1.511e-36 2.488e-37 -35.821 -36.604 -0.783 (0) + S3O6-2 0.000e+00 0.000e+00 -43.531 -44.315 -0.783 (0) + S5O6-2 0.000e+00 0.000e+00 -57.500 -58.284 -0.783 (0) +S(6) 4.023e-02 + SO4-2 3.193e-02 4.407e-03 -1.496 -2.356 -0.860 (0) Ca(SO4) 5.252e-03 5.252e-03 -2.280 -2.280 0.000 (0) - Mg(SO4) 3.022e-03 3.022e-03 -2.520 -2.520 0.000 (0) + Mg(SO4) 2.953e-03 2.953e-03 -2.530 -2.530 0.000 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - Fe(SO4) 1.951e-05 1.951e-05 -4.710 -4.710 0.000 (0) - H(SO4)- 5.104e-08 3.203e-08 -7.292 -7.494 -0.202 (0) - Fe(HSO4)+ 1.740e-11 1.108e-11 -10.760 -10.955 -0.196 (0) - Fe(SO4)+ 3.376e-19 2.150e-19 -18.472 -18.668 -0.196 (0) - Fe(SO4)2- 2.950e-20 1.878e-20 -19.530 -19.726 -0.196 (0) - FeHSO4+2 2.347e-25 3.861e-26 -24.629 -25.413 -0.784 (0) - HSO5- 0.000e+00 0.000e+00 -60.963 -61.159 -0.196 (0) - S2O8-2 0.000e+00 0.000e+00 -75.009 -75.793 -0.784 (0) + Fe(SO4) 4.470e-05 4.470e-05 -4.350 -4.350 0.000 (0) + H(SO4)- 5.126e-08 3.217e-08 -7.290 -7.493 -0.202 (0) + Fe(SO4)+ 6.913e-19 4.403e-19 -18.160 -18.356 -0.196 (0) + Fe(SO4)2- 2.843e-19 1.811e-19 -18.546 -18.742 -0.196 (0) + HSO5- 0.000e+00 0.000e+00 -60.796 -60.992 -0.196 (0) + S2O8-2 0.000e+00 0.000e+00 -74.841 -75.625 -0.783 (0) Si 1.743e-04 - H4(SiO4) 1.736e-04 1.736e-04 -3.760 -3.760 0.000 (0) - H3(SiO4)- 5.788e-07 3.277e-07 -6.237 -6.485 -0.247 (0) - Mg(H3SiO4)+ 3.805e-08 2.423e-08 -7.420 -7.616 -0.196 (0) - Ca(H3SiO4)+ 3.093e-08 1.970e-08 -7.510 -7.706 -0.196 (0) - Si2O2(OH)5- 2.251e-09 1.274e-09 -8.648 -8.895 -0.247 (0) - Si2O3(OH)4-2 1.588e-12 2.094e-13 -11.799 -12.679 -0.880 (0) - H2(SiO4)-2 1.510e-12 2.144e-13 -11.821 -12.669 -0.848 (0) - Si4O6(OH)6-2 2.599e-16 4.274e-17 -15.585 -16.369 -0.784 (0) - Fe(H3SiO4)+2 1.231e-16 2.025e-17 -15.910 -16.693 -0.784 (0) - Si3O6(OH)3-3 5.251e-18 6.264e-20 -17.280 -19.203 -1.923 (0) - Si3O5(OH)5-3 4.074e-18 4.860e-20 -17.390 -19.313 -1.923 (0) - Si4O8(OH)4-4 3.664e-23 1.830e-26 -22.436 -25.738 -3.302 (0) - Si4O7(OH)6-4 3.075e-23 2.250e-26 -22.512 -25.648 -3.136 (0) - Si6O15-6 3.014e-35 0.000e+00 -34.521 -41.576 -7.055 (0) -Sr 4.493e-04 - Sr+2 3.331e-04 5.478e-05 -3.477 -4.261 -0.784 (0) - SrCl+ 6.710e-05 4.273e-05 -4.173 -4.369 -0.196 (0) + H4(SiO4) 1.737e-04 1.737e-04 -3.760 -3.760 0.000 (0) + H3(SiO4)- 5.799e-07 3.284e-07 -6.237 -6.484 -0.247 (0) + Mg(H3SiO4)+ 3.701e-08 2.358e-08 -7.432 -7.628 -0.196 (0) + Ca(H3SiO4)+ 3.079e-08 1.961e-08 -7.512 -7.707 -0.196 (0) + Si2O2(OH)5- 2.255e-09 1.277e-09 -8.647 -8.894 -0.247 (0) + Si2O3(OH)4-2 1.593e-12 2.103e-13 -11.798 -12.677 -0.879 (0) + H2(SiO4)-2 1.515e-12 2.153e-13 -11.820 -12.667 -0.847 (0) + Si4O6(OH)6-2 2.607e-16 4.293e-17 -15.584 -16.367 -0.783 (0) + Fe(H3SiO4)+2 1.776e-16 2.924e-17 -15.751 -16.534 -0.783 (0) + Si3O6(OH)3-3 5.272e-18 6.303e-20 -17.278 -19.200 -1.922 (0) + Si3O5(OH)5-3 4.091e-18 4.891e-20 -17.388 -19.311 -1.922 (0) + Si4O8(OH)4-4 3.681e-23 1.845e-26 -22.434 -25.734 -3.300 (0) + Si4O7(OH)6-4 3.089e-23 2.269e-26 -22.510 -25.644 -3.134 (0) + Si6O15-6 3.025e-35 0.000e+00 -34.519 -41.570 -7.051 (0) +Sr 4.462e-04 + Sr+2 3.306e-04 5.443e-05 -3.481 -4.264 -0.783 (0) + SrCl+ 6.648e-05 4.235e-05 -4.177 -4.373 -0.196 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - Sr(HCO3)+ 1.202e-06 7.655e-07 -5.920 -6.116 -0.196 (0) + Sr(HCO3)+ 1.199e-06 7.639e-07 -5.921 -6.117 -0.196 (0) Sr(CO3) 1.994e-08 1.994e-08 -7.700 -7.700 0.000 (0) - Sr(OH)+ 5.627e-11 3.583e-11 -10.250 -10.446 -0.196 (0) - Sr(S2O3) 1.982e-17 1.982e-17 -16.703 -16.703 0.000 (0) + Sr(OH)+ 5.600e-11 3.567e-11 -10.252 -10.448 -0.196 (0) + Sr(S2O3) 4.470e-18 4.470e-18 -17.350 -17.350 0.000 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - Acmite -0.74 0.18 0.92 NaFeSi2O6 + Acmite -0.55 0.34 0.89 NaFeSi2O6 Afwillite -20.96 28.46 49.42 Ca3Si2O4(OH)6 Anhydrite -0.15 -4.59 -4.44 Ca(SO4) Antarcticite -6.91 -2.97 3.94 CaCl2:6H2O - Antigorite -59.78 440.38 500.16 Mg48Si34O85(OH)62 + Antigorite -60.04 439.85 499.89 Mg48Si34O85(OH)62 Aragonite -0.17 -8.48 -8.31 CaCO3 - Arcanite -6.03 -7.88 -1.85 K2SO4 - Artinite -6.66 3.15 9.81 Mg2(CO3)(OH)2:3H2O + Arcanite -6.02 -7.87 -1.85 K2SO4 + Artinite -6.68 3.13 9.81 Mg2(CO3)(OH)2:3H2O Bassanite -0.67 -4.59 -3.92 CaSO4:0.5H2O - Bischofite -7.59 -3.13 4.46 MgCl2:6H2O + Bischofite -7.60 -3.14 4.46 MgCl2:6H2O Bloedite -5.55 -7.90 -2.35 Na2Mg(SO4)2:4H2O - Brucite -5.28 11.82 17.10 Mg(OH)2 - Burkeite -12.44 -13.21 -0.77 Na6(CO3)(SO4)2 - C(cr) -5.37 48.46 53.83 C + Brucite -5.29 11.81 17.10 Mg(OH)2 + Burkeite -12.43 -13.20 -0.77 Na6(CO3)(SO4)2 + C(cr) -5.70 -37.85 -32.15 C C2SH(alpha) -15.31 20.23 35.54 Ca2(HSiO4)(OH) - C3FH6 -34.63 37.76 72.39 Ca3Fe2(OH)12 - C4FH13 -45.48 49.68 95.16 Ca4Fe2(OH)14:6H2O - Ca(s) -93.39 46.45 139.84 Ca - Ca(SO3)(s) -10.24 -16.74 -6.50 Ca(SO3) + C3FH6 -34.25 38.08 72.33 Ca3Fe2(OH)12 + C4FH13 -45.09 49.99 95.08 Ca4Fe2(OH)14:6H2O + Ca(cr) -93.55 3.30 96.85 Ca + Ca(SO3)(s) -10.40 -16.90 -6.50 Ca(SO3) Ca2Cl2(OH)2:H2O(s) -17.47 9.06 26.53 Ca2Cl2(OH)2:H2O - Ca2Fe2O5(s) -30.93 25.83 56.76 Ca2Fe2O5 - Ca4Cl2(OH)6:13H2O(s) -35.83 32.90 68.73 Ca4Cl2(OH)6:13H2O + Ca2Fe2O5(s) -30.59 26.15 56.74 Ca2Fe2O5 + Ca4Cl2(OH)6:13H2O(s) -35.84 32.89 68.73 Ca4Cl2(OH)6:13H2O CaCl2:2H2O(cr) -10.88 -2.93 7.95 CaCl2:2H2O CaCl2:4H2O(cr) -8.30 -2.95 5.35 CaCl2:4H2O CaCl2:H2O(s) -10.77 -2.92 7.85 CaCl2:H2O CaCO3:H2O(s) -0.89 -8.49 -7.60 CaCO3:H2O - CaFe2O4(s) -7.40 13.84 21.24 CaFe2O4 + CaFe2O4(s) -7.08 14.16 21.24 CaFe2O4 Calcite 0.00 -8.48 -8.48 CaCO3 - CaMg3(CO3)4(s) -3.59 -34.40 -30.81 CaMg3(CO3)4 + CaMg3(CO3)4(s) -3.62 -34.43 -30.81 CaMg3(CO3)4 CaO(cr) -20.71 11.99 32.70 CaO - Carnallite -10.55 -6.22 4.33 KMgCl3:6H2O - Celestite -0.00 -6.62 -6.62 Sr(SO4) - CH4(g) -13.54 117.37 130.91 CH4 - Cl2(g) -52.35 -49.36 2.99 Cl2 - CO(g) -14.36 13.99 28.35 CO + Carnallite -10.57 -6.24 4.33 KMgCl3:6H2O + Celestite 0.00 -6.62 -6.62 Sr(SO4) + CH4(g) -14.20 -55.25 -41.05 CH4 + Chukanovite -3.87 -0.90 2.97 Fe2(OH)2CO3 + Cl2(g) -52.19 -6.21 45.98 Cl2 + CO(g) -14.52 -29.16 -14.64 CO CO2(g) -2.32 -20.47 -18.15 CO2 Cristobalite -0.58 -3.74 -3.16 SiO2 - Cronstedtite-Th 1.32 17.43 16.11 Fe4SiO5(OH)4 + Cronstedtite-Th 1.88 17.99 16.11 Fe4SiO5(OH)4 CSH0.8 -5.21 5.84 11.05 Ca0.8SiO2.8:1.54H2O CSH1.2 -8.67 10.63 19.30 Ca1.2SiO3.2:2.06H2O CSH1.6 -12.58 15.42 28.00 Ca1.6SiO3.6:2.58H2O - Dolomite 0.00 -17.12 -17.12 CaMg(CO3)2 - Epsonite -2.94 -4.82 -1.88 Mg(SO4):7H2O - Ettringite-Fe -30.83 23.72 54.55 Ca6Fe2(SO4)3(OH)12:26H2O - Fayalite -3.91 15.60 19.51 Fe2(SiO4) - Fe(OH)2(cr) -3.10 9.66 12.76 Fe(OH)2 - Fe(s) -14.72 44.13 58.85 Fe - FeO(s) -3.70 9.67 13.37 FeO - Ferrihydrite(am) -1.63 0.91 2.54 Fe(OH)3 - Ferrosilite -26.78 5.93 32.71 FeSiO3 - Ferryhydrite -0.28 0.91 1.19 Fe(OH)3 - FeS(am) -4.37 -7.32 -2.95 FeS - Foshagite -29.23 36.73 65.96 Ca4Si3O9(OH)2:0.5H2O + Dolomite 0.00 -17.13 -17.13 CaMg(CO3)2 + Epsonite -2.95 -4.83 -1.88 Mg(SO4):7H2O + Ettringite-Fe -30.51 24.04 54.55 Ca6Fe2(SO4)3(OH)12:26H2O + Fayalite -3.71 15.84 19.55 Fe2(SiO4) + Fe(alpha,cr) -14.79 1.10 15.89 Fe + Fe(OH)2(cr) -3.00 9.78 12.78 Fe(OH)2 + Fe0.932O(s) -3.80 9.71 13.51 Fe0.932O + Fe3O4(s) -0.64 11.96 12.60 Fe3O4 + FeO(s) -3.60 9.79 13.39 FeO + Ferrihydrite(am) -2.85 1.07 3.92 Fe(OH)3 + Ferrihydrite(cr) -0.15 1.07 1.22 Fe(OH)3 + Ferrihydrite(s) -1.71 1.07 2.78 Fe(OH)3 + Ferrosilite -26.66 6.05 32.71 FeSiO3 + FeS(am) -4.91 -7.86 -2.95 FeS + Foshagite -29.24 36.72 65.96 Ca4Si3O9(OH)2:0.5H2O Gaylussite -6.10 -15.53 -9.43 CaNa2(CO3)2:5H2O - Glaserite -19.12 -26.73 -7.61 Na2K6(SO4)4 - Glauberite -9.67 -7.70 1.97 Na2Ca(SO4)2 - Goethite 0.53 0.92 0.39 FeOOH - Greenalite -0.26 21.51 21.77 Fe3Si2O5(OH)4 + Glaserite -19.11 -26.72 -7.61 Na2K6(SO4)4 + Glauberite -9.66 -7.69 1.97 Na2Ca(SO4)2 + Goethite 0.91 1.08 0.17 FeOOH + GR-Cl -5.79 36.01 41.80 Fe3Fe(OH)8Cl + GR-CO3 -8.62 46.88 55.50 Fe4Fe2(OH)12CO3:2H2O + GR-SO4 -7.51 50.79 58.30 Fe4Fe2(OH)12SO4 + Greenalite 0.05 21.87 21.82 Fe3Si2O5(OH)4 + Greigite -17.51 -32.54 -15.03 Fe3S4 Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O - Gyrolite -9.60 12.74 22.34 Ca2Si3O7.5(OH):2H2O - H2(g) -8.54 34.45 42.99 H2 - H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -9.00 -17.00 -8.00 H2S + Gyrolite -9.61 12.73 22.34 Ca2Si3O7.5(OH):2H2O + H2(g) -8.70 -8.70 0.00 H2 + H2O(g) -1.51 -43.01 -41.50 H2O + H2S(g) -9.66 -17.66 -8.00 H2S Halite -2.30 -0.71 1.59 NaCl - HCl(g) -13.74 -7.45 6.29 HCl - Hematite 2.87 1.85 -1.02 Fe2O3 - Hexahydrite -3.17 -4.81 -1.64 Mg(SO4):6H2O + HCl(g) -13.75 -7.46 6.29 HCl + Hematite(cr) 3.00 2.17 -0.83 Fe2O3 + Hematite(s) 2.27 2.17 -0.10 Fe2O3 + Hexahydrite -3.18 -4.82 -1.64 Mg(SO4):6H2O Hillebrandite -16.72 20.23 36.95 Ca2SiO3(OH)2:0.17H2O Hydrophilite -14.68 -2.91 11.77 CaCl2 Jaffeite -49.63 64.43 114.06 Ca6(Si2O7)(OH)6 - Jennite -61.97 85.36 147.33 Ca9Si6O16(OH)10:6(H2O) - K(cr) -49.40 21.58 70.99 K + Jennite -61.98 85.35 147.33 Ca9Si6O16(OH)10:6H2O + K(cr) -49.48 0.01 49.49 K K(OH)(s) -20.25 4.35 24.60 K(OH) K-carbonate -14.81 -11.78 3.03 K2CO3:1.5H2O - K-trona -16.43 -25.53 -9.10 K2NaH(CO3)2:2H2O - K2CO3(cr) -17.18 -11.77 5.41 K2CO3 - K2O(s) -75.41 8.70 84.11 K2O - Kainite -7.69 -7.88 -0.19 KMgCl(SO4):3H2O + K-trona -16.42 -25.52 -9.10 K2NaH(CO3)2:2H2O + K2CO3(cr) -17.17 -11.76 5.41 K2CO3 + K2O(s) -75.40 8.71 84.11 K2O + Kainite -7.70 -7.89 -0.19 KMgCl(SO4):3H2O Kalicinite -6.06 -16.12 -10.06 KHCO3 - Lansfordite -3.65 -8.69 -5.04 Mg(CO3):5H2O - Lawrencite -14.12 -5.23 8.89 FeCl2 - Leonhardtite -3.90 -4.79 -0.89 MgSO4:4H2O + Lansfordite -3.66 -8.70 -5.04 Mg(CO3):5H2O + Lawrencite -14.04 -5.11 8.93 FeCl2 + Leonhardtite -3.91 -4.80 -0.89 MgSO4:4H2O Leonite -8.69 -12.67 -3.98 K2Mg(SO4)2:4H2O - Lepidocrocite 0.17 0.92 0.75 FeOOH - Lizardite -5.11 27.99 33.10 Mg3Si2O5(OH)4 - Mackinawite -3.72 -7.32 -3.60 FeS - Maghemite(disord) -1.46 1.85 3.31 Fe2O3 - Maghemite(ord) -1.67 1.85 3.52 Fe2O3 - Magnesite(nat) 0.27 -8.64 -8.91 MgCO3 - Magnesite(syn) -0.54 -8.64 -8.10 Mg(CO3) - Magnetite 1.11 11.52 10.41 Fe3O4 - Melanterite -4.77 -6.98 -2.21 FeSO4:7H2O + Lepidocrocite -0.78 1.08 1.86 FeOOH + Lizardite -5.12 27.96 33.08 Mg3Si2O5(OH)4 + Mackinawite -4.67 -7.86 -3.19 FeS + Maghemite -0.62 2.17 2.79 Fe2O3 + Magnesite(nat) 0.26 -8.65 -8.91 MgCO3 + Magnesite(syn) -0.55 -8.65 -8.10 Mg(CO3) + Magnetite 1.62 11.96 10.34 Fe3O4 + Melanterite -4.58 -6.86 -2.28 FeSO4:7H2O Mercallite -10.83 -12.23 -1.40 KHSO4 - Mg(cr) -76.48 46.29 122.77 Mg - Mg(SO4)(s) -13.85 -4.75 9.10 Mg(SO4) - Mg(SO4):H2O(s) -4.64 -4.76 -0.12 Mg(SO4):H2O - Mg-oxychlorur -9.87 16.16 26.03 Mg2Cl(OH)3:4H2O - Mg5(CO3)4(OH)2:4H2O(s) -12.47 -22.78 -10.31 Mg5(CO3)4(OH)2:4H2O - MgCl2(s) -25.10 -3.07 22.03 MgCl2 - MgCl2:2H2O(s) -15.99 -3.09 12.90 MgCl2:2H2O - MgCl2:4H2O(s) -10.55 -3.11 7.44 MgCl2:4H2O - MgCl2:H2O(s) -19.30 -3.08 16.22 MgCl2:H2O - Minnesotaite -0.89 14.04 14.93 Fe3Si4O10(OH)2 + Mg(cr) -76.65 3.13 79.78 Mg + Mg(SO4)(s) -13.86 -4.76 9.10 Mg(SO4) + Mg(SO4):H2O(s) -4.65 -4.77 -0.12 Mg(SO4):H2O + Mg-oxychlorur -9.90 16.13 26.03 Mg2Cl(OH)3:4H2O + Mg5(CO3)4(OH)2:4H2O(s) -12.52 -22.83 -10.31 Mg5(CO3)4(OH)2:4H2O + MgCl2(s) -25.11 -3.08 22.03 MgCl2 + MgCl2:2H2O(s) -16.00 -3.10 12.90 MgCl2:2H2O + MgCl2:4H2O(s) -10.56 -3.12 7.44 MgCl2:4H2O + MgCl2:H2O(s) -19.31 -3.09 16.22 MgCl2:H2O + Minnesotaite -0.59 14.40 14.99 Fe3Si4O10(OH)2 Mirabilite -1.98 -3.21 -1.23 Na2SO4:10H2O - Monosulfate-Fe -32.94 33.11 66.05 Ca4Fe2(SO4)(OH)12:6H2O - Na(cr) -43.42 23.97 67.38 Na - Na2(CO3)(cr) -8.12 -7.00 1.12 Na2(CO3) + Monosulfate-Fe -32.62 33.43 66.05 Ca4Fe2(SO4)(OH)12:6H2O + Na(cr) -43.50 2.39 45.89 Na + Na2(CO3)(cr) -8.11 -6.99 1.12 Na2(CO3) Na2CO3:7H2O(s) -6.61 -7.07 -0.46 Na2CO3:7H2O Na2O(cr) -53.99 13.47 67.46 Na2O Nahcolite -3.00 -13.74 -10.74 Na(HCO3) Natron -6.27 -7.10 -0.83 Na2(CO3):10H2O - Nesquehonite -3.57 -8.67 -5.10 Mg(CO3):3H2O - O2(g) -66.03 -68.93 -2.90 O2 + Nesquehonite -3.58 -8.68 -5.10 Mg(CO3):3H2O + O2(g) -65.71 -68.61 -2.90 O2 Okenite -4.69 4.49 9.18 CaSi2O5:2H2O - Pentahydrite -3.52 -4.80 -1.28 MgSO4:5H2O - Periclase -9.75 11.83 21.58 MgO + Pentahydrite -3.53 -4.81 -1.28 MgSO4:5H2O + Periclase -9.76 11.82 21.58 MgO Picromerite -8.36 -12.69 -4.33 K2Mg(SO4)2:6H2O - Pirssonite -6.59 -15.50 -8.91 Na2Ca(CO3)2:2H2O + Pirssonite -6.58 -15.49 -8.91 Na2Ca(CO3)2:2H2O Polyhalite -8.09 -21.83 -13.74 K2MgCa2(SO4)4:2H2O Portlandite -10.83 11.98 22.81 Ca(OH)2 - Pyrite 0.00 -58.78 -58.78 FeS2 - Pyrrhotite -1.88 -13.06 -11.18 Fe0.87S - Quartz 0.00 -3.74 -3.74 SiO2 - S(cr) -6.33 -51.46 -45.13 S - Si(cr) -83.98 65.19 149.17 Si - Siderite 0.00 -10.80 -10.80 Fe(CO3) + Pyrite 0.00 -16.82 -16.82 FeS2 + Pyrrhotite -2.68 -8.00 -5.32 Fe0.87S + Quartz -0.00 -3.74 -3.74 SiO2 + S(cr) -6.82 -8.96 -2.14 S + Schwertmannite(cr) -16.65 -7.93 8.72 Fe8O8(OH)6SO4 + Si(cr) -84.31 -21.12 63.19 Si + Siderite 0.00 -10.68 -10.68 Fe(CO3) SiO2(am) -1.03 -3.74 -2.71 SiO2 - SO2(g) -19.79 -28.73 -8.94 SO2 - Sr(cr) -97.36 44.42 141.78 Sr + SO2(g) -19.95 -28.89 -8.94 SO2 + Sr(cr) -97.52 1.27 98.79 Sr Sr(OH)2(s) -17.56 9.95 27.51 Sr(OH)2 Sr(OH)2:8H2O(s) -14.45 9.87 24.32 Sr(OH)2:8H2O Sr2SiO4(s) -27.07 16.18 43.25 Sr2SiO4 @@ -2446,20 +2357,20 @@ Sr 4.493e-04 SrCl2:6H2O(s) -6.61 -5.00 1.61 SrCl2:6H2O SrCl2:H2O(s) -9.86 -4.95 4.91 SrCl2:H2O SrO(cr) -32.02 9.96 41.98 SrO - SrS(s) -21.71 -7.03 14.68 SrS + SrS(s) -22.37 -7.69 14.68 SrS SrSiO3(s) -6.94 6.22 13.16 SrSiO3 Strontianite -1.24 -10.51 -9.27 Sr(CO3) Sylvite -3.97 -3.10 0.87 KCl - Syngenite -5.08 -12.53 -7.45 K2Ca(SO4)2:6H2O - Tachyhydrite -26.54 -9.16 17.38 Mg2CaCl6:12H2O - Talc -4.42 20.52 24.94 Mg3Si4O10(OH)2 - Thermonatrite -7.49 -7.01 0.48 Na2(CO3):H2O - Thernardite -2.75 -3.11 -0.36 Na2SO4 - Tobermorite-11A -28.12 37.46 65.58 Ca5Si6O16.5(OH):5H2O - Tobermorite-14A -25.53 37.41 62.94 Ca5Si6O16.5(OH):10H2O - Troilite -2.01 -7.32 -5.31 FeS - Trona -9.38 -20.76 -11.38 Na3H(CO3)2:2H2O - Truscottite -38.06 39.02 77.08 Ca7Si12O29(OH)4:H2O + Syngenite -5.07 -12.52 -7.45 K2Ca(SO4)2:6H2O + Tachyhydrite -26.58 -9.20 17.38 Mg2CaCl6:12H2O + Talc -4.43 20.49 24.92 Mg3Si4O10(OH)2 + Thenardite -2.74 -3.10 -0.36 Na2SO4 + Thermonatrite -7.48 -7.00 0.48 Na2(CO3):H2O + Tobermorite-11A -28.13 37.45 65.58 Ca5Si6O16.5(OH):5H2O + Tobermorite-14A -25.54 37.40 62.94 Ca5Si6O16.5(OH):10H2O + Troilite -3.87 -7.86 -3.99 FeS + Trona -9.37 -20.75 -11.38 Na3H(CO3)2:2H2O + Truscottite -38.07 39.01 77.08 Ca7Si12O29(OH)4:H2O Vaterite -0.58 -8.48 -7.90 CaCO3 Xonotlite -41.85 49.49 91.34 Ca6Si6O17(OH)2 @@ -2491,393 +2402,378 @@ Reaction 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.000e+00 9.925e-01 -7.545e-03 -Celestite -0.00 -6.62 -6.62 1.000e+00 1.000e+00 5.074e-05 -Dolomite 0.00 -17.12 -17.12 1.000e+00 1.004e+00 3.888e-03 -Gypsum 0.00 -4.61 -4.61 0.000e+00 1.022e-02 1.022e-02 -Pyrite 0.00 -58.78 -58.78 1.000e+00 1.000e+00 1.306e-11 -Quartz 0.00 -3.74 -3.74 1.000e+00 1.000e+00 5.941e-05 -Siderite 0.00 -10.80 -10.80 1.000e+00 9.998e-01 -2.026e-04 +Calcite 0.00 -8.48 -8.48 1.000e+00 9.926e-01 -7.357e-03 +Celestite 0.00 -6.62 -6.62 1.000e+00 1.000e+00 5.158e-05 +Dolomite 0.00 -17.13 -17.13 1.000e+00 1.004e+00 3.847e-03 +Gypsum 0.00 -4.61 -4.61 0.000e+00 1.012e-02 1.012e-02 +Pyrite -0.00 -16.82 -16.82 1.000e+00 1.000e+00 1.606e-10 +Quartz 0.00 -3.74 -3.74 1.000e+00 1.000e+00 5.942e-05 +Siderite 0.00 -10.68 -10.68 1.000e+00 9.997e-01 -3.048e-04 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 2.183e-03 1.474e-03 - Ca 3.511e-02 2.371e-02 - Cl 7.400e-01 4.997e-01 - Fe 3.000e-04 2.026e-04 + C 2.184e-03 1.475e-03 + Ca 3.490e-02 2.357e-02 + Cl 7.378e-01 4.983e-01 + Fe 4.513e-04 3.048e-04 K 2.958e-03 1.998e-03 - Mg 2.931e-02 1.979e-02 + Mg 2.844e-02 1.921e-02 Na 6.900e-01 4.660e-01 - S 4.068e-02 2.747e-02 - Si 1.736e-04 1.172e-04 - Sr 4.732e-04 3.196e-04 + S 4.083e-02 2.757e-02 + Si 1.736e-04 1.173e-04 + Sr 4.698e-04 3.173e-04 ----------------------------Description of solution---------------------------- - pH = 7.082 Charge balance - pe = -2.810 Adjusted to redox equilibrium + pH = 7.083 Charge balance + pe = -2.729 Adjusted to redox equilibrium Activity of water = 0.975 - Ionic strength (mol/kgw) = 8.800e-01 + Ionic strength (mol/kgw) = 8.779e-01 Mass of water (kg) = 6.754e-01 - Total alkalinity (eq/kg) = 2.026e-03 - Total CO2 (mol/kg) = 2.183e-03 + Total alkalinity (eq/kg) = 2.023e-03 + Total CO2 (mol/kg) = 2.184e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.924e-10 + Electrical balance (eq) = 2.313e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 33 + Iterations = 35 Gamma iterations = 9 - Osmotic coefficient = 0.92023 - Total H = 7.498106e+01 - Total O = 3.760429e+01 + Osmotic coefficient = 0.92018 + Total H = 7.497900e+01 + Total O = 3.760366e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.748e-07 1.179e-07 -6.757 -6.929 -0.171 (0) - H+ 1.068e-07 8.271e-08 -6.972 -7.082 -0.111 0.00 - H2O 5.551e+01 9.750e-01 1.744 -0.011 0.000 18.07 -C(-4) 4.142e-17 - CH4 4.142e-17 4.142e-17 -16.383 -16.383 0.000 (0) -C(4) 2.183e-03 - HCO3- 1.534e-03 9.707e-04 -2.814 -3.013 -0.199 (0) - Na(HCO3) 2.484e-04 2.484e-04 -3.605 -3.605 0.000 (0) - CO2 1.843e-04 1.843e-04 -3.734 -3.734 0.000 (0) - Ca(HCO3)+ 1.165e-04 7.373e-05 -3.934 -4.132 -0.199 (0) - Mg(HCO3)+ 7.019e-05 4.442e-05 -4.154 -4.352 -0.199 (0) - Fe(CO3) 7.763e-06 7.763e-06 -5.110 -5.110 0.000 (0) - Na(CO3)- 7.351e-06 4.651e-06 -5.134 -5.332 -0.199 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - CO3-2 3.888e-06 5.490e-07 -5.410 -6.260 -0.850 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Sr(HCO3)+ 1.301e-06 8.235e-07 -5.886 -6.084 -0.199 (0) - FeHCO3+ 1.220e-06 7.719e-07 -5.914 -6.112 -0.199 (0) - FeCO3OH- 2.756e-08 1.744e-08 -7.560 -7.759 -0.199 (0) + OH- 1.752e-07 1.182e-07 -6.756 -6.928 -0.171 (0) + H+ 1.066e-07 8.252e-08 -6.972 -7.083 -0.111 0.00 + H2O 5.551e+01 9.751e-01 1.744 -0.011 0.000 18.07 +C(-4) 5.014e-18 + CH4 5.014e-18 5.014e-18 -17.300 -17.300 0.000 (0) + CH3- 0.000e+00 0.000e+00 -56.018 -56.216 -0.199 (0) +C(4) 2.184e-03 + HCO3- 1.541e-03 9.752e-04 -2.812 -3.011 -0.199 (0) + Na(HCO3) 2.495e-04 2.495e-04 -3.603 -3.603 0.000 (0) + CO2 1.848e-04 1.848e-04 -3.733 -3.733 0.000 (0) + Ca(HCO3)+ 1.162e-04 7.355e-05 -3.935 -4.133 -0.199 (0) + Mg(HCO3)+ 6.843e-05 4.331e-05 -4.165 -4.363 -0.199 (0) + Na(CO3)- 7.400e-06 4.683e-06 -5.131 -5.329 -0.199 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + CO3-2 3.911e-06 5.527e-07 -5.408 -6.257 -0.850 (0) + FeCO3 3.890e-06 3.890e-06 -5.410 -5.410 0.000 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Sr(HCO3)+ 1.298e-06 8.216e-07 -5.887 -6.085 -0.199 (0) Sr(CO3) 1.986e-08 1.986e-08 -7.702 -7.702 0.000 (0) - FeCO3OH 1.628e-09 1.628e-09 -8.788 -8.788 0.000 (0) - Fe(CO3)2-2 1.530e-09 2.452e-10 -8.815 -9.610 -0.795 (0) - Fe(CO3)3-3 7.728e-14 1.257e-15 -13.112 -14.901 -1.789 (0) - CO 4.481e-18 4.481e-18 -17.349 -17.349 0.000 (0) -Ca 3.511e-02 - Ca+2 2.972e-02 6.033e-03 -1.527 -2.220 -0.693 (0) - Ca(SO4) 5.272e-03 5.272e-03 -2.278 -2.278 0.000 (0) - Ca(HCO3)+ 1.165e-04 7.373e-05 -3.934 -4.132 -0.199 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - Ca(H3SiO4)+ 2.949e-08 1.866e-08 -7.530 -7.729 -0.199 (0) - Ca(OH)+ 1.865e-08 1.180e-08 -7.729 -7.928 -0.199 (0) - Ca(S2O3) 1.633e-15 1.633e-15 -14.787 -14.787 0.000 (0) -Cl 7.400e-01 - Cl- 7.324e-01 4.948e-01 -0.135 -0.306 -0.170 (0) - MgCl+ 7.305e-03 4.622e-03 -2.136 -2.335 -0.199 (0) - SrCl+ 7.442e-05 4.709e-05 -4.128 -4.327 -0.199 (0) - FeCl3- 5.787e-05 3.662e-05 -4.238 -4.436 -0.199 (0) - FeCl+ 3.116e-05 1.972e-05 -4.506 -4.705 -0.199 (0) - FeCl2 2.134e-06 2.134e-06 -5.671 -5.671 0.000 (0) - HCl 7.979e-09 7.979e-09 -8.098 -8.098 0.000 (0) - FeCl+2 3.389e-19 5.432e-20 -18.470 -19.265 -0.795 (0) - FeCl2+ 2.129e-19 1.347e-19 -18.672 -18.871 -0.199 (0) - FeCl3 7.142e-21 7.142e-21 -20.146 -20.146 0.000 (0) - FeCl4- 6.714e-23 4.248e-23 -22.173 -22.372 -0.199 (0) - Cl2 0.000e+00 0.000e+00 -53.441 -53.441 0.000 (0) - ClO4- 0.000e+00 0.000e+00 -154.081 -154.259 -0.178 (0) -Fe(2) 3.000e-04 - Fe+2 1.801e-04 2.887e-05 -3.744 -4.540 -0.795 (0) - FeCl3- 5.787e-05 3.662e-05 -4.238 -4.436 -0.199 (0) - FeCl+ 3.116e-05 1.972e-05 -4.506 -4.705 -0.199 (0) - Fe(SO4) 1.959e-05 1.959e-05 -4.708 -4.708 0.000 (0) - Fe(CO3) 7.763e-06 7.763e-06 -5.110 -5.110 0.000 (0) - FeCl2 2.134e-06 2.134e-06 -5.671 -5.671 0.000 (0) - FeHCO3+ 1.220e-06 7.719e-07 -5.914 -6.112 -0.199 (0) - Fe(OH)+ 1.701e-07 1.076e-07 -6.769 -6.968 -0.199 (0) - FeCO3OH- 2.756e-08 1.744e-08 -7.560 -7.759 -0.199 (0) - Fe(CO3)2-2 1.530e-09 2.452e-10 -8.815 -9.610 -0.795 (0) - Fe(HS)+ 1.263e-10 7.993e-11 -9.899 -10.097 -0.199 (0) - Fe(HSO4)+ 1.898e-11 1.201e-11 -10.722 -10.921 -0.199 (0) - Fe(OH)2 1.008e-11 1.008e-11 -10.997 -10.997 0.000 (0) - Fe(OH)3- 9.410e-16 5.955e-16 -15.026 -15.225 -0.199 (0) - Fe(HS)2 1.303e-18 1.303e-18 -17.885 -17.885 0.000 (0) - Fe(OH)4-2 3.478e-22 5.576e-23 -21.459 -22.254 -0.795 (0) -Fe(3) 1.632e-09 - FeCO3OH 1.628e-09 1.628e-09 -8.788 -8.788 0.000 (0) - Fe(OH)2+ 2.052e-12 1.299e-12 -11.688 -11.886 -0.199 (0) - Fe(OH)3 1.972e-12 1.972e-12 -11.705 -11.705 0.000 (0) - Fe(CO3)3-3 7.728e-14 1.257e-15 -13.112 -14.901 -1.789 (0) - Fe(OH)4- 3.351e-14 2.120e-14 -13.475 -13.674 -0.199 (0) - Fe(OH)+2 1.517e-15 3.327e-16 -14.819 -15.478 -0.659 (0) - Fe(H3SiO4)+2 1.306e-16 2.094e-17 -15.884 -16.679 -0.795 (0) - Fe(SO4)+ 3.722e-19 2.355e-19 -18.429 -18.628 -0.199 (0) - FeCl+2 3.389e-19 5.432e-20 -18.470 -19.265 -0.795 (0) - Fe+3 2.688e-19 4.371e-21 -18.571 -20.359 -1.789 (0) - FeCl2+ 2.129e-19 1.347e-19 -18.672 -18.871 -0.199 (0) - Fe(SO4)2- 3.179e-20 2.011e-20 -19.498 -19.696 -0.199 (0) - FeCl3 7.142e-21 7.142e-21 -20.146 -20.146 0.000 (0) - FeCl4- 6.714e-23 4.248e-23 -22.173 -22.372 -0.199 (0) - FeHSO4+2 2.849e-25 4.567e-26 -24.545 -25.340 -0.795 (0) - Fe2(OH)2+4 4.511e-27 2.979e-30 -26.346 -29.526 -3.180 (0) - FeS2O3+ 1.870e-31 1.183e-31 -30.728 -30.927 -0.199 (0) - Fe3(OH)4+5 7.528e-35 8.083e-40 -34.123 -39.092 -4.969 (0) -H(0) 4.743e-12 - H2 2.371e-12 2.371e-12 -11.625 -11.625 0.000 (0) + Fe(OH)CO3 2.060e-09 2.060e-09 -8.686 -8.686 0.000 (0) + Fe(CO3)2-2 7.891e-10 1.266e-10 -9.103 -9.897 -0.795 (0) + Fe(CO3)3-3 6.521e-14 1.063e-15 -13.186 -14.974 -1.788 (0) + CO 3.076e-18 3.076e-18 -17.512 -17.512 0.000 (0) +Ca 3.490e-02 + Ca+2 2.950e-02 5.991e-03 -1.530 -2.223 -0.692 (0) + Ca(SO4) 5.271e-03 5.271e-03 -2.278 -2.278 0.000 (0) + Ca(HCO3)+ 1.162e-04 7.355e-05 -3.935 -4.133 -0.199 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + Ca(H3SiO4)+ 2.935e-08 1.858e-08 -7.532 -7.731 -0.199 (0) + Ca(OH)+ 1.856e-08 1.175e-08 -7.731 -7.930 -0.199 (0) + Ca(S2O3) 1.037e-16 1.037e-16 -15.984 -15.984 0.000 (0) +Cl 7.378e-01 + Cl- 7.304e-01 4.935e-01 -0.136 -0.307 -0.170 (0) + MgCl+ 7.070e-03 4.475e-03 -2.151 -2.349 -0.199 (0) + FeCl+ 2.252e-04 1.865e-04 -3.647 -3.729 -0.082 (0) + SrCl+ 7.371e-05 4.665e-05 -4.132 -4.331 -0.199 (0) + FeCl2+ 4.019e-19 2.544e-19 -18.396 -18.595 -0.199 (0) + FeCl+2 2.184e-19 1.028e-19 -18.661 -18.988 -0.327 (0) + FeCl3 7.920e-21 7.920e-21 -20.101 -20.101 0.000 (0) + FeCl4- 6.176e-23 3.909e-23 -22.209 -22.408 -0.199 (0) + Cl2 0.000e+00 0.000e+00 -53.281 -53.281 0.000 (0) + ClO4- 0.000e+00 0.000e+00 -153.124 -153.302 -0.178 (0) +Fe(2) 4.513e-04 + FeCl+ 2.252e-04 1.865e-04 -3.647 -3.729 -0.082 (0) + Fe+2 1.770e-04 3.780e-05 -3.752 -4.423 -0.670 (0) + Fe(SO4) 4.487e-05 4.487e-05 -4.348 -4.348 0.000 (0) + FeCO3 3.890e-06 3.890e-06 -5.410 -5.410 0.000 (0) + Fe(OH)+ 3.968e-07 2.512e-07 -6.401 -6.600 -0.199 (0) + Fe(CO3)2-2 7.891e-10 1.266e-10 -9.103 -9.897 -0.795 (0) + Fe(HS)+ 3.653e-11 2.312e-11 -10.437 -10.636 -0.199 (0) + Fe(OH)2 7.628e-12 7.628e-12 -11.118 -11.118 0.000 (0) + Fe(OH)3- 1.424e-17 9.013e-18 -16.846 -17.045 -0.199 (0) + Fe(HS)2 8.325e-20 8.325e-20 -19.080 -19.080 0.000 (0) + Fe(OH)4-2 2.198e-22 3.527e-23 -21.658 -22.453 -0.795 (0) +Fe(3) 2.085e-09 + Fe(OH)CO3 2.060e-09 2.060e-09 -8.686 -8.686 0.000 (0) + Fe(OH)2+ 2.200e-11 1.392e-11 -10.658 -10.856 -0.199 (0) + Fe(OH)3 2.859e-12 2.859e-12 -11.544 -11.544 0.000 (0) + Fe(CO3)3-3 6.521e-14 1.063e-15 -13.186 -14.974 -1.788 (0) + Fe(OH)4- 4.868e-14 3.081e-14 -13.313 -13.511 -0.199 (0) + Fe(OH)+2 2.399e-15 5.264e-16 -14.620 -15.279 -0.659 (0) + Fe(H3SiO4)+2 1.884e-16 3.022e-17 -15.725 -16.520 -0.795 (0) + Fe(SO4)+ 7.620e-19 4.823e-19 -18.118 -18.317 -0.199 (0) + FeCl2+ 4.019e-19 2.544e-19 -18.396 -18.595 -0.199 (0) + Fe(SO4)2- 3.065e-19 1.940e-19 -18.514 -18.712 -0.199 (0) + FeCl+2 2.184e-19 1.028e-19 -18.661 -18.988 -0.327 (0) + Fe+3 1.076e-19 6.293e-21 -18.968 -20.201 -1.233 (0) + FeCl3 7.920e-21 7.920e-21 -20.101 -20.101 0.000 (0) + FeCl4- 6.176e-23 3.909e-23 -22.209 -22.408 -0.199 (0) + Fe2(OH)2+4 1.262e-26 8.368e-30 -25.899 -29.077 -3.179 (0) + FeS2O3+ 6.109e-32 3.866e-32 -31.214 -31.413 -0.199 (0) + Fe3(OH)4+5 2.254e-34 2.435e-39 -33.647 -38.614 -4.967 (0) +H(0) 3.247e-12 + H2 1.623e-12 1.623e-12 -11.790 -11.790 0.000 (0) K 2.958e-03 - K+ 2.958e-03 1.871e-03 -2.529 -2.728 -0.199 (0) -Mg 2.931e-02 - Mg+2 1.889e-02 4.173e-03 -1.724 -2.380 -0.656 (0) - MgCl+ 7.305e-03 4.622e-03 -2.136 -2.335 -0.199 (0) - Mg(SO4) 3.033e-03 3.033e-03 -2.518 -2.518 0.000 (0) - Mg(HCO3)+ 7.019e-05 4.442e-05 -4.154 -4.352 -0.199 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Mg(OH)+ 1.624e-07 1.028e-07 -6.789 -6.988 -0.199 (0) - Mg(H3SiO4)+ 3.628e-08 2.296e-08 -7.440 -7.639 -0.199 (0) - Mg(S2O3) 9.393e-16 9.393e-16 -15.027 -15.027 0.000 (0) - Mg4(OH)4+4 1.577e-18 1.041e-21 -17.802 -20.982 -3.180 (0) + K+ 2.958e-03 1.872e-03 -2.529 -2.728 -0.199 (0) +Mg 2.844e-02 + Mg+2 1.834e-02 4.050e-03 -1.737 -2.393 -0.656 (0) + MgCl+ 7.070e-03 4.475e-03 -2.151 -2.349 -0.199 (0) + Mg(SO4) 2.964e-03 2.964e-03 -2.528 -2.528 0.000 (0) + Mg(HCO3)+ 6.843e-05 4.331e-05 -4.165 -4.363 -0.199 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Mg(OH)+ 1.580e-07 9.999e-08 -6.801 -7.000 -0.199 (0) + Mg(H3SiO4)+ 3.529e-08 2.234e-08 -7.452 -7.651 -0.199 (0) + Mg(S2O3) 2.070e-16 2.070e-16 -15.684 -15.684 0.000 (0) + Mg4(OH)4+4 1.407e-18 9.328e-22 -17.852 -21.030 -3.179 (0) Na 6.900e-01 Na+ 6.897e-01 4.550e-01 -0.161 -0.342 -0.181 (0) - Na(HCO3) 2.484e-04 2.484e-04 -3.605 -3.605 0.000 (0) - Na(CO3)- 7.351e-06 4.651e-06 -5.134 -5.332 -0.199 (0) - Na(S2O3)- 9.981e-15 6.315e-15 -14.001 -14.200 -0.199 (0) -O(0) -4.480e-18 - CO 4.481e-18 4.481e-18 -17.349 -17.349 0.000 (0) - S2-2 1.011e-21 1.620e-22 -20.995 -21.790 -0.795 (0) - S3-2 3.979e-26 6.378e-27 -25.400 -26.195 -0.795 (0) - S4-2 1.243e-31 1.993e-32 -30.905 -31.701 -0.795 (0) - S4O6-2 2.751e-35 4.410e-36 -34.561 -35.356 -0.795 (0) - S5-2 2.343e-37 3.755e-38 -36.630 -37.425 -0.795 (0) - S3O6-2 0.000e+00 0.000e+00 -42.795 -43.591 -0.795 (0) - Cl2 0.000e+00 0.000e+00 -53.441 -53.441 0.000 (0) - S5O6-2 0.000e+00 0.000e+00 -55.726 -56.521 -0.795 (0) - HSO5- 0.000e+00 0.000e+00 -60.928 -61.127 -0.199 (0) - O2 0.000e+00 0.000e+00 -68.912 -68.912 0.000 (0) - S2O8-2 0.000e+00 0.000e+00 -74.942 -75.737 -0.795 (0) - ClO4- 0.000e+00 0.000e+00 -154.081 -154.259 -0.178 (0) -S(-2) 4.286e-10 - HS- 2.000e-10 1.266e-10 -9.699 -9.898 -0.199 (0) - Fe(HS)+ 1.263e-10 7.993e-11 -9.899 -10.097 -0.199 (0) - H2S 1.023e-10 1.023e-10 -9.990 -9.990 0.000 (0) - Fe(HS)2 1.303e-18 1.303e-18 -17.885 -17.885 0.000 (0) - S-2 7.582e-20 1.215e-20 -19.120 -19.915 -0.795 (0) - S2-2 1.011e-21 1.620e-22 -20.995 -21.790 -0.795 (0) - S3-2 3.979e-26 6.378e-27 -25.400 -26.195 -0.795 (0) - S4-2 1.243e-31 1.993e-32 -30.905 -31.701 -0.795 (0) - S5-2 2.343e-37 3.755e-38 -36.630 -37.425 -0.795 (0) -S(2) 6.765e-14 - S2O3-2 2.125e-14 3.407e-15 -13.673 -14.468 -0.795 (0) - Na(S2O3)- 9.981e-15 6.315e-15 -14.001 -14.200 -0.199 (0) - Ca(S2O3) 1.633e-15 1.633e-15 -14.787 -14.787 0.000 (0) - Mg(S2O3) 9.393e-16 9.393e-16 -15.027 -15.027 0.000 (0) - Sr(S2O3) 2.094e-17 2.094e-17 -16.679 -16.679 0.000 (0) - H(S2O3)- 2.337e-20 1.479e-20 -19.631 -19.830 -0.199 (0) - H2(S2O3) 4.870e-27 4.870e-27 -26.312 -26.312 0.000 (0) - FeS2O3+ 1.870e-31 1.183e-31 -30.728 -30.927 -0.199 (0) -S(3) 2.008e-33 - S2O4-2 1.004e-33 1.609e-34 -32.998 -33.793 -0.795 (0) - HS2O4- 6.653e-39 4.210e-39 -38.177 -38.376 -0.199 (0) - H2S2O4 0.000e+00 0.000e+00 -45.158 -45.158 0.000 (0) -S(4) 2.705e-14 - SO3-2 2.125e-14 3.000e-15 -13.673 -14.523 -0.850 (0) - H(SO3)- 5.801e-15 3.670e-15 -14.237 -14.435 -0.199 (0) - SO2 2.256e-20 2.256e-20 -19.647 -19.647 0.000 (0) - H2(SO3) 2.199e-20 2.199e-20 -19.658 -19.658 0.000 (0) - S2O5-2 2.789e-30 4.472e-31 -29.554 -30.350 -0.795 (0) - S4O6-2 2.751e-35 4.410e-36 -34.561 -35.356 -0.795 (0) - S3O6-2 0.000e+00 0.000e+00 -42.795 -43.591 -0.795 (0) - S5O6-2 0.000e+00 0.000e+00 -55.726 -56.521 -0.795 (0) -S(6) 4.068e-02 - SO4-2 3.231e-02 4.280e-03 -1.491 -2.369 -0.878 (0) - Ca(SO4) 5.272e-03 5.272e-03 -2.278 -2.278 0.000 (0) - Mg(SO4) 3.033e-03 3.033e-03 -2.518 -2.518 0.000 (0) + Na(HCO3) 2.495e-04 2.495e-04 -3.603 -3.603 0.000 (0) + Na(CO3)- 7.400e-06 4.683e-06 -5.131 -5.329 -0.199 (0) + Na(S2O3)- 2.265e-15 1.434e-15 -14.645 -14.844 -0.199 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -68.593 -68.593 0.000 (0) +S(-2) 1.032e-10 + HS- 4.417e-11 2.796e-11 -10.355 -10.554 -0.199 (0) + Fe(HS)+ 3.653e-11 2.312e-11 -10.437 -10.636 -0.199 (0) + H2S 2.254e-11 2.254e-11 -10.647 -10.647 0.000 (0) + Fe(HS)2 8.325e-20 8.325e-20 -19.080 -19.080 0.000 (0) + S-2 1.677e-20 2.691e-21 -19.775 -20.570 -0.795 (0) + S2-2 7.197e-23 1.155e-23 -22.143 -22.937 -0.795 (0) + S3-2 9.116e-28 1.463e-28 -27.040 -27.835 -0.795 (0) + S4-2 9.171e-34 1.472e-34 -33.038 -33.832 -0.795 (0) + S5-2 5.560e-40 0.000e+00 -39.255 -40.050 -0.795 (0) +S(2) 1.480e-14 + S2O3-2 4.820e-15 7.734e-16 -14.317 -15.112 -0.795 (0) + Na(S2O3)- 2.265e-15 1.434e-15 -14.645 -14.844 -0.199 (0) + Mg(S2O3) 2.070e-16 2.070e-16 -15.684 -15.684 0.000 (0) + Ca(S2O3) 1.037e-16 1.037e-16 -15.984 -15.984 0.000 (0) + Sr(S2O3) 4.721e-18 4.721e-18 -17.326 -17.326 0.000 (0) + H(S2O3)- 5.293e-21 3.350e-21 -20.276 -20.475 -0.199 (0) + H2(S2O3) 1.100e-27 1.100e-27 -26.958 -26.958 0.000 (0) + FeS2O3+ 6.109e-32 3.866e-32 -31.214 -31.413 -0.199 (0) +S(3) 6.497e-34 + S2O4-2 3.249e-34 5.213e-35 -33.488 -34.283 -0.795 (0) + HS2O4- 2.149e-39 1.360e-39 -38.668 -38.866 -0.199 (0) + H2S2O4 0.000e+00 0.000e+00 -45.650 -45.650 0.000 (0) +S(4) 1.863e-14 + SO3-2 1.464e-14 2.069e-15 -13.834 -14.684 -0.850 (0) + H(SO3)- 3.991e-15 2.526e-15 -14.399 -14.598 -0.199 (0) + SO2 1.548e-20 1.548e-20 -19.810 -19.810 0.000 (0) + H2(SO3) 1.510e-20 1.510e-20 -19.821 -19.821 0.000 (0) + S2O5-2 1.319e-30 2.117e-31 -29.880 -30.674 -0.795 (0) + S4O6-2 1.969e-36 3.159e-37 -35.706 -36.500 -0.795 (0) + S3O6-2 0.000e+00 0.000e+00 -43.448 -44.243 -0.795 (0) + S5O6-2 0.000e+00 0.000e+00 -57.353 -58.148 -0.795 (0) +S(6) 4.083e-02 + SO4-2 3.250e-02 4.309e-03 -1.488 -2.366 -0.877 (0) + Ca(SO4) 5.271e-03 5.271e-03 -2.278 -2.278 0.000 (0) + Mg(SO4) 2.964e-03 2.964e-03 -2.528 -2.528 0.000 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - Fe(SO4) 1.959e-05 1.959e-05 -4.708 -4.708 0.000 (0) - H(SO4)- 5.429e-08 3.381e-08 -7.265 -7.471 -0.206 (0) - Fe(HSO4)+ 1.898e-11 1.201e-11 -10.722 -10.921 -0.199 (0) - Fe(SO4)+ 3.722e-19 2.355e-19 -18.429 -18.628 -0.199 (0) - Fe(SO4)2- 3.179e-20 2.011e-20 -19.498 -19.696 -0.199 (0) - FeHSO4+2 2.849e-25 4.567e-26 -24.545 -25.340 -0.795 (0) - HSO5- 0.000e+00 0.000e+00 -60.928 -61.127 -0.199 (0) - S2O8-2 0.000e+00 0.000e+00 -74.942 -75.737 -0.795 (0) + Fe(SO4) 4.487e-05 4.487e-05 -4.348 -4.348 0.000 (0) + H(SO4)- 5.452e-08 3.396e-08 -7.263 -7.469 -0.206 (0) + Fe(SO4)+ 7.620e-19 4.823e-19 -18.118 -18.317 -0.199 (0) + Fe(SO4)2- 3.065e-19 1.940e-19 -18.514 -18.712 -0.199 (0) + HSO5- 0.000e+00 0.000e+00 -60.762 -60.960 -0.199 (0) + S2O8-2 0.000e+00 0.000e+00 -74.774 -75.568 -0.795 (0) Si 1.736e-04 H4(SiO4) 1.730e-04 1.730e-04 -3.762 -3.762 0.000 (0) - H3(SiO4)- 5.425e-07 3.023e-07 -6.266 -6.520 -0.254 (0) - Mg(H3SiO4)+ 3.628e-08 2.296e-08 -7.440 -7.639 -0.199 (0) - Ca(H3SiO4)+ 2.949e-08 1.866e-08 -7.530 -7.729 -0.199 (0) - Si2O2(OH)5- 2.106e-09 1.173e-09 -8.677 -8.931 -0.254 (0) - Si2O3(OH)4-2 1.414e-12 1.786e-13 -11.850 -12.748 -0.899 (0) - H2(SiO4)-2 1.339e-12 1.832e-13 -11.873 -12.737 -0.864 (0) - Si4O6(OH)6-2 2.270e-16 3.638e-17 -15.644 -16.439 -0.795 (0) - Fe(H3SiO4)+2 1.306e-16 2.094e-17 -15.884 -16.679 -0.795 (0) - Si3O6(OH)3-3 4.525e-18 4.947e-20 -17.344 -19.306 -1.961 (0) - Si3O5(OH)5-3 3.505e-18 3.831e-20 -17.455 -19.417 -1.961 (0) - Si4O8(OH)4-4 3.057e-23 1.336e-26 -22.515 -25.874 -3.360 (0) - Si4O7(OH)6-4 2.483e-23 1.640e-26 -22.605 -25.785 -3.180 (0) - Si6O15-6 2.383e-35 0.000e+00 -34.623 -41.778 -7.156 (0) -Sr 4.732e-04 - Sr+2 3.496e-04 5.604e-05 -3.456 -4.251 -0.795 (0) - SrCl+ 7.442e-05 4.709e-05 -4.128 -4.327 -0.199 (0) + H3(SiO4)- 5.437e-07 3.030e-07 -6.265 -6.518 -0.254 (0) + Mg(H3SiO4)+ 3.529e-08 2.234e-08 -7.452 -7.651 -0.199 (0) + Ca(H3SiO4)+ 2.935e-08 1.858e-08 -7.532 -7.731 -0.199 (0) + Si2O2(OH)5- 2.111e-09 1.176e-09 -8.676 -8.929 -0.254 (0) + Si2O3(OH)4-2 1.419e-12 1.795e-13 -11.848 -12.746 -0.898 (0) + H2(SiO4)-2 1.344e-12 1.841e-13 -11.871 -12.735 -0.864 (0) + Si4O6(OH)6-2 2.279e-16 3.656e-17 -15.642 -16.437 -0.795 (0) + Fe(H3SiO4)+2 1.884e-16 3.022e-17 -15.725 -16.520 -0.795 (0) + Si3O6(OH)3-3 4.548e-18 4.982e-20 -17.342 -19.303 -1.960 (0) + Si3O5(OH)5-3 3.522e-18 3.859e-20 -17.453 -19.414 -1.960 (0) + Si4O8(OH)4-4 3.075e-23 1.349e-26 -22.512 -25.870 -3.358 (0) + Si4O7(OH)6-4 2.497e-23 1.655e-26 -22.603 -25.781 -3.179 (0) + Si6O15-6 2.396e-35 0.000e+00 -34.621 -41.772 -7.152 (0) +Sr 4.698e-04 + Sr+2 3.469e-04 5.566e-05 -3.460 -4.254 -0.795 (0) + SrCl+ 7.371e-05 4.665e-05 -4.132 -4.331 -0.199 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - Sr(HCO3)+ 1.301e-06 8.235e-07 -5.886 -6.084 -0.199 (0) + Sr(HCO3)+ 1.298e-06 8.216e-07 -5.887 -6.085 -0.199 (0) Sr(CO3) 1.986e-08 1.986e-08 -7.702 -7.702 0.000 (0) - Sr(OH)+ 5.355e-11 3.388e-11 -10.271 -10.470 -0.199 (0) - Sr(S2O3) 2.094e-17 2.094e-17 -16.679 -16.679 0.000 (0) + Sr(OH)+ 5.330e-11 3.373e-11 -10.273 -10.472 -0.199 (0) + Sr(S2O3) 4.721e-18 4.721e-18 -17.326 -17.326 0.000 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - Acmite -0.79 0.13 0.92 NaFeSi2O6 + Acmite -0.60 0.29 0.89 NaFeSi2O6 Afwillite -21.13 28.29 49.42 Ca3Si2O4(OH)6 Anhydrite -0.15 -4.59 -4.44 Ca(SO4) Antarcticite -6.84 -2.90 3.94 CaCl2:6H2O - Antigorite -62.49 437.67 500.16 Mg48Si34O85(OH)62 + Antigorite -62.75 437.14 499.89 Mg48Si34O85(OH)62 Aragonite -0.17 -8.48 -8.31 CaCO3 Arcanite -5.97 -7.82 -1.85 K2SO4 - Artinite -6.72 3.09 9.81 Mg2(CO3)(OH)2:3H2O + Artinite -6.74 3.07 9.81 Mg2(CO3)(OH)2:3H2O Bassanite -0.67 -4.59 -3.92 CaSO4:0.5H2O - Bischofite -7.52 -3.06 4.46 MgCl2:6H2O - Bloedite -5.49 -7.84 -2.35 Na2Mg(SO4)2:4H2O - Brucite -5.34 11.76 17.10 Mg(OH)2 - Burkeite -12.28 -13.05 -0.77 Na6(CO3)(SO4)2 - C(cr) -5.33 48.50 53.83 C + Bischofite -7.53 -3.07 4.46 MgCl2:6H2O + Bloedite -5.50 -7.85 -2.35 Na2Mg(SO4)2:4H2O + Brucite -5.35 11.75 17.10 Mg(OH)2 + Burkeite -12.27 -13.04 -0.77 Na6(CO3)(SO4)2 + C(cr) -5.66 -37.81 -32.15 C C2SH(alpha) -15.42 20.12 35.54 Ca2(HSiO4)(OH) - C3FH6 -34.91 37.48 72.39 Ca3Fe2(OH)12 - C4FH13 -45.82 49.34 95.16 Ca4Fe2(OH)14:6H2O - Ca(s) -93.45 46.39 139.84 Ca - Ca(SO3)(s) -10.24 -16.74 -6.50 Ca(SO3) + C3FH6 -34.53 37.80 72.33 Ca3Fe2(OH)12 + C4FH13 -45.42 49.66 95.08 Ca4Fe2(OH)14:6H2O + Ca(cr) -93.62 3.23 96.85 Ca + Ca(SO3)(s) -10.41 -16.91 -6.50 Ca(SO3) Ca2Cl2(OH)2:H2O(s) -17.45 9.08 26.53 Ca2Cl2(OH)2:H2O - Ca2Fe2O5(s) -31.15 25.61 56.76 Ca2Fe2O5 - Ca4Cl2(OH)6:13H2O(s) -35.93 32.80 68.73 Ca4Cl2(OH)6:13H2O - CaCl2:2H2O(cr) -10.80 -2.85 7.95 CaCl2:2H2O - CaCl2:4H2O(cr) -8.22 -2.87 5.35 CaCl2:4H2O - CaCl2:H2O(s) -10.69 -2.84 7.85 CaCl2:H2O + Ca2Fe2O5(s) -30.81 25.93 56.74 Ca2Fe2O5 + Ca4Cl2(OH)6:13H2O(s) -35.94 32.79 68.73 Ca4Cl2(OH)6:13H2O + CaCl2:2H2O(cr) -10.81 -2.86 7.95 CaCl2:2H2O + CaCl2:4H2O(cr) -8.23 -2.88 5.35 CaCl2:4H2O + CaCl2:H2O(s) -10.70 -2.85 7.85 CaCl2:H2O CaCO3:H2O(s) -0.89 -8.49 -7.60 CaCO3:H2O - CaFe2O4(s) -7.56 13.68 21.24 CaFe2O4 + CaFe2O4(s) -7.24 14.00 21.24 CaFe2O4 Calcite 0.00 -8.48 -8.48 CaCO3 - CaMg3(CO3)4(s) -3.59 -34.40 -30.81 CaMg3(CO3)4 + CaMg3(CO3)4(s) -3.62 -34.43 -30.81 CaMg3(CO3)4 CaO(cr) -20.77 11.93 32.70 CaO - Carnallite -10.42 -6.09 4.33 KMgCl3:6H2O - Celestite -0.00 -6.62 -6.62 Sr(SO4) - CH4(g) -13.52 117.39 130.91 CH4 - Cl2(g) -52.21 -49.22 2.99 Cl2 - CO(g) -14.31 14.04 28.35 CO + Carnallite -10.44 -6.11 4.33 KMgCl3:6H2O + Celestite 0.00 -6.62 -6.62 Sr(SO4) + CH4(g) -14.18 -55.23 -41.05 CH4 + Chukanovite -3.93 -0.96 2.97 Fe2(OH)2CO3 + Cl2(g) -52.05 -6.07 45.98 Cl2 + CO(g) -14.47 -29.11 -14.64 CO CO2(g) -2.26 -20.41 -18.15 CO2 Cristobalite -0.58 -3.74 -3.16 SiO2 - Cronstedtite-Th 1.10 17.21 16.11 Fe4SiO5(OH)4 + Cronstedtite-Th 1.66 17.77 16.11 Fe4SiO5(OH)4 CSH0.8 -5.26 5.79 11.05 Ca0.8SiO2.8:1.54H2O CSH1.2 -8.74 10.56 19.30 Ca1.2SiO3.2:2.06H2O CSH1.6 -12.67 15.33 28.00 Ca1.6SiO3.6:2.58H2O - Dolomite 0.00 -17.12 -17.12 CaMg(CO3)2 - Epsonite -2.94 -4.82 -1.88 Mg(SO4):7H2O - Ettringite-Fe -31.12 23.43 54.55 Ca6Fe2(SO4)3(OH)12:26H2O - Fayalite -4.02 15.49 19.51 Fe2(SiO4) - Fe(OH)2(cr) -3.16 9.60 12.76 Fe(OH)2 - Fe(s) -14.78 44.07 58.85 Fe - FeO(s) -3.76 9.61 13.37 FeO - Ferrihydrite(am) -1.69 0.85 2.54 Fe(OH)3 - Ferrosilite -26.84 5.87 32.71 FeSiO3 - Ferryhydrite -0.34 0.85 1.19 Fe(OH)3 - FeS(am) -4.40 -7.35 -2.95 FeS + Dolomite 0.00 -17.13 -17.13 CaMg(CO3)2 + Epsonite -2.95 -4.83 -1.88 Mg(SO4):7H2O + Ettringite-Fe -30.80 23.75 54.55 Ca6Fe2(SO4)3(OH)12:26H2O + Fayalite -3.82 15.73 19.55 Fe2(SiO4) + Fe(alpha,cr) -14.86 1.03 15.89 Fe + Fe(OH)2(cr) -3.06 9.72 12.78 Fe(OH)2 + Fe0.932O(s) -3.85 9.66 13.51 Fe0.932O + Fe3O4(s) -0.80 11.80 12.60 Fe3O4 + FeO(s) -3.66 9.73 13.39 FeO + Ferrihydrite(am) -2.90 1.02 3.92 Fe(OH)3 + Ferrihydrite(cr) -0.20 1.02 1.22 Fe(OH)3 + Ferrihydrite(s) -1.76 1.02 2.78 Fe(OH)3 + Ferrosilite -26.72 5.99 32.71 FeSiO3 + FeS(am) -4.94 -7.89 -2.95 FeS Foshagite -29.46 36.50 65.96 Ca4Si3O9(OH)2:0.5H2O Gaylussite -6.05 -15.48 -9.43 CaNa2(CO3)2:5H2O - Glaserite -18.92 -26.53 -7.61 Na2K6(SO4)4 + Glaserite -18.90 -26.51 -7.61 Na2K6(SO4)4 Glauberite -9.61 -7.64 1.97 Na2Ca(SO4)2 - Goethite 0.48 0.87 0.39 FeOOH - Greenalite -0.43 21.34 21.77 Fe3Si2O5(OH)4 + Goethite 0.86 1.03 0.17 FeOOH + GR-Cl -5.95 35.85 41.80 Fe3Fe(OH)8Cl + GR-CO3 -8.90 46.60 55.50 Fe4Fe2(OH)12CO3:2H2O + GR-SO4 -7.79 50.51 58.30 Fe4Fe2(OH)12SO4 + Greenalite -0.12 21.70 21.82 Fe3Si2O5(OH)4 + Greigite -17.58 -32.61 -15.03 Fe3S4 Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O Gyrolite -9.72 12.62 22.34 Ca2Si3O7.5(OH):2H2O - H2(g) -8.55 34.44 42.99 H2 - H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -8.98 -16.98 -8.00 H2S + H2(g) -8.71 -8.71 0.00 H2 + H2O(g) -1.51 -43.01 -41.50 H2O + H2S(g) -9.64 -17.64 -8.00 H2S Halite -2.24 -0.65 1.59 NaCl HCl(g) -13.68 -7.39 6.29 HCl - Hematite 2.76 1.74 -1.02 Fe2O3 - Hexahydrite -3.17 -4.81 -1.64 Mg(SO4):6H2O - Hillebrandite -16.83 20.12 36.95 Ca2SiO3(OH)2:0.17H2O - Hydrophilite -14.60 -2.83 11.77 CaCl2 + Hematite(cr) 2.90 2.07 -0.83 Fe2O3 + Hematite(s) 2.17 2.07 -0.10 Fe2O3 + Hexahydrite -3.18 -4.82 -1.64 Mg(SO4):6H2O + Hillebrandite -16.84 20.11 36.95 Ca2SiO3(OH)2:0.17H2O + Hydrophilite -14.61 -2.84 11.77 CaCl2 Jaffeite -49.97 64.09 114.06 Ca6(Si2O7)(OH)6 - Jennite -62.48 84.85 147.33 Ca9Si6O16(OH)10:6(H2O) - K(cr) -49.41 21.58 70.99 K + Jennite -62.49 84.84 147.33 Ca9Si6O16(OH)10:6H2O + K(cr) -49.49 0.00 49.49 K K(OH)(s) -20.26 4.34 24.60 K(OH) K-carbonate -14.76 -11.73 3.03 K2CO3:1.5H2O K-trona -16.32 -25.42 -9.10 K2NaH(CO3)2:2H2O - K2CO3(cr) -17.13 -11.72 5.41 K2CO3 + K2CO3(cr) -17.12 -11.71 5.41 K2CO3 K2O(s) -75.41 8.70 84.11 K2O - Kainite -7.62 -7.81 -0.19 KMgCl(SO4):3H2O + Kainite -7.64 -7.83 -0.19 KMgCl(SO4):3H2O Kalicinite -6.01 -16.07 -10.06 KHCO3 - Lansfordite -3.65 -8.69 -5.04 Mg(CO3):5H2O - Lawrencite -14.04 -5.15 8.89 FeCl2 - Leonhardtite -3.90 -4.79 -0.89 MgSO4:4H2O + Lansfordite -3.66 -8.70 -5.04 Mg(CO3):5H2O + Lawrencite -13.97 -5.04 8.93 FeCl2 + Leonhardtite -3.91 -4.80 -0.89 MgSO4:4H2O Leonite -8.64 -12.62 -3.98 K2Mg(SO4)2:4H2O - Lepidocrocite 0.12 0.87 0.75 FeOOH - Lizardite -5.28 27.82 33.10 Mg3Si2O5(OH)4 - Mackinawite -3.75 -7.35 -3.60 FeS - Maghemite(disord) -1.57 1.74 3.31 Fe2O3 - Maghemite(ord) -1.78 1.74 3.52 Fe2O3 - Magnesite(nat) 0.27 -8.64 -8.91 MgCO3 - Magnesite(syn) -0.54 -8.64 -8.10 Mg(CO3) - Magnetite 0.95 11.36 10.41 Fe3O4 - Melanterite -4.77 -6.98 -2.21 FeSO4:7H2O + Lepidocrocite -0.83 1.03 1.86 FeOOH + Lizardite -5.29 27.79 33.08 Mg3Si2O5(OH)4 + Mackinawite -4.70 -7.89 -3.19 FeS + Maghemite -0.72 2.07 2.79 Fe2O3 + Magnesite(nat) 0.26 -8.65 -8.91 MgCO3 + Magnesite(syn) -0.55 -8.65 -8.10 Mg(CO3) + Magnetite 1.46 11.80 10.34 Fe3O4 + Melanterite -4.58 -6.86 -2.28 FeSO4:7H2O Mercallite -10.78 -12.18 -1.40 KHSO4 - Mg(cr) -76.54 46.23 122.77 Mg - Mg(SO4)(s) -13.85 -4.75 9.10 Mg(SO4) - Mg(SO4):H2O(s) -4.64 -4.76 -0.12 Mg(SO4):H2O - Mg-oxychlorur -9.92 16.11 26.03 Mg2Cl(OH)3:4H2O - Mg5(CO3)4(OH)2:4H2O(s) -12.53 -22.84 -10.31 Mg5(CO3)4(OH)2:4H2O - MgCl2(s) -25.02 -2.99 22.03 MgCl2 - MgCl2:2H2O(s) -15.91 -3.01 12.90 MgCl2:2H2O - MgCl2:4H2O(s) -10.47 -3.03 7.44 MgCl2:4H2O - MgCl2:H2O(s) -19.22 -3.00 16.22 MgCl2:H2O - Minnesotaite -1.06 13.87 14.93 Fe3Si4O10(OH)2 + Mg(cr) -76.72 3.06 79.78 Mg + Mg(SO4)(s) -13.86 -4.76 9.10 Mg(SO4) + Mg(SO4):H2O(s) -4.65 -4.77 -0.12 Mg(SO4):H2O + Mg-oxychlorur -9.95 16.08 26.03 Mg2Cl(OH)3:4H2O + Mg5(CO3)4(OH)2:4H2O(s) -12.58 -22.89 -10.31 Mg5(CO3)4(OH)2:4H2O + MgCl2(s) -25.04 -3.01 22.03 MgCl2 + MgCl2:2H2O(s) -15.93 -3.03 12.90 MgCl2:2H2O + MgCl2:4H2O(s) -10.49 -3.05 7.44 MgCl2:4H2O + MgCl2:H2O(s) -19.24 -3.02 16.22 MgCl2:H2O + Minnesotaite -0.76 14.23 14.99 Fe3Si4O10(OH)2 Mirabilite -1.93 -3.16 -1.23 Na2SO4:10H2O - Monosulfate-Fe -33.22 32.83 66.05 Ca4Fe2(SO4)(OH)12:6H2O - Na(cr) -43.42 23.96 67.38 Na + Monosulfate-Fe -32.90 33.15 66.05 Ca4Fe2(SO4)(OH)12:6H2O + Na(cr) -43.50 2.39 45.89 Na Na2(CO3)(cr) -8.06 -6.94 1.12 Na2(CO3) Na2CO3:7H2O(s) -6.56 -7.02 -0.46 Na2CO3:7H2O Na2O(cr) -53.99 13.47 67.46 Na2O Nahcolite -2.94 -13.68 -10.74 Na(HCO3) Natron -6.22 -7.05 -0.83 Na2(CO3):10H2O - Nesquehonite -3.57 -8.67 -5.10 Mg(CO3):3H2O - O2(g) -66.01 -68.91 -2.90 O2 + Nesquehonite -3.58 -8.68 -5.10 Mg(CO3):3H2O + O2(g) -65.69 -68.59 -2.90 O2 Okenite -4.75 4.43 9.18 CaSi2O5:2H2O - Pentahydrite -3.52 -4.80 -1.28 MgSO4:5H2O - Periclase -9.81 11.77 21.58 MgO + Pentahydrite -3.53 -4.81 -1.28 MgSO4:5H2O + Periclase -9.82 11.76 21.58 MgO Picromerite -8.31 -12.64 -4.33 K2Mg(SO4)2:6H2O - Pirssonite -6.54 -15.45 -8.91 Na2Ca(CO3)2:2H2O - Polyhalite -8.03 -21.77 -13.74 K2MgCa2(SO4)4:2H2O + Pirssonite -6.53 -15.44 -8.91 Na2Ca(CO3)2:2H2O + Polyhalite -8.04 -21.78 -13.74 K2MgCa2(SO4)4:2H2O Portlandite -10.89 11.92 22.81 Ca(OH)2 - Pyrite 0.00 -58.78 -58.78 FeS2 - Pyrrhotite -1.91 -13.08 -11.18 Fe0.87S + Pyrite -0.00 -16.82 -16.82 FeS2 + Pyrrhotite -2.71 -8.03 -5.32 Fe0.87S Quartz 0.00 -3.74 -3.74 SiO2 - S(cr) -6.30 -51.43 -45.13 S - Si(cr) -84.00 65.17 149.17 Si - Siderite 0.00 -10.80 -10.80 Fe(CO3) + S(cr) -6.79 -8.93 -2.14 S + Schwertmannite(cr) -17.01 -8.29 8.72 Fe8O8(OH)6SO4 + Si(cr) -84.33 -21.14 63.19 Si + Siderite 0.00 -10.68 -10.68 Fe(CO3) SiO2(am) -1.03 -3.74 -2.71 SiO2 - SO2(g) -19.74 -28.68 -8.94 SO2 - Sr(cr) -97.42 44.36 141.78 Sr + SO2(g) -19.90 -28.84 -8.94 SO2 + Sr(cr) -97.59 1.20 98.79 Sr Sr(OH)2(s) -17.62 9.89 27.51 Sr(OH)2 Sr(OH)2:8H2O(s) -14.52 9.80 24.32 Sr(OH)2:8H2O Sr2SiO4(s) -27.19 16.06 43.25 Sr2SiO4 - SrCl2(s) -12.98 -4.86 8.12 SrCl2 - SrCl2:2H2O(s) -8.35 -4.88 3.47 SrCl2:2H2O + SrCl2(s) -12.99 -4.87 8.12 SrCl2 + SrCl2:2H2O(s) -8.36 -4.89 3.47 SrCl2:2H2O SrCl2:6H2O(s) -6.54 -4.93 1.61 SrCl2:6H2O - SrCl2:H2O(s) -9.78 -4.87 4.91 SrCl2:H2O + SrCl2:H2O(s) -9.79 -4.88 4.91 SrCl2:H2O SrO(cr) -32.08 9.90 41.98 SrO - SrS(s) -21.75 -7.07 14.68 SrS + SrS(s) -22.40 -7.72 14.68 SrS SrSiO3(s) -7.00 6.16 13.16 SrSiO3 Strontianite -1.24 -10.51 -9.27 Sr(CO3) Sylvite -3.90 -3.03 0.87 KCl - Syngenite -5.03 -12.48 -7.45 K2Ca(SO4)2:6H2O - Tachyhydrite -26.32 -8.94 17.38 Mg2CaCl6:12H2O - Talc -4.59 20.35 24.94 Mg3Si4O10(OH)2 - Thermonatrite -7.44 -6.96 0.48 Na2(CO3):H2O - Thernardite -2.69 -3.05 -0.36 Na2SO4 + Syngenite -5.02 -12.47 -7.45 K2Ca(SO4)2:6H2O + Tachyhydrite -26.36 -8.98 17.38 Mg2CaCl6:12H2O + Talc -4.60 20.32 24.92 Mg3Si4O10(OH)2 + Thenardite -2.69 -3.05 -0.36 Na2SO4 + Thermonatrite -7.43 -6.95 0.48 Na2(CO3):H2O Tobermorite-11A -28.41 37.17 65.58 Ca5Si6O16.5(OH):5H2O - Tobermorite-14A -25.82 37.12 62.94 Ca5Si6O16.5(OH):10H2O - Troilite -2.04 -7.35 -5.31 FeS + Tobermorite-14A -25.83 37.11 62.94 Ca5Si6O16.5(OH):10H2O + Troilite -3.90 -7.89 -3.99 FeS Trona -9.27 -20.65 -11.38 Na3H(CO3)2:2H2O - Truscottite -38.45 38.63 77.08 Ca7Si12O29(OH)4:H2O + Truscottite -38.46 38.62 77.08 Ca7Si12O29(OH)4:H2O Vaterite -0.58 -8.48 -7.90 CaCO3 - Xonotlite -42.18 49.16 91.34 Ca6Si6O17(OH)2 + Xonotlite -42.19 49.15 91.34 Ca6Si6O17(OH)2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -2907,390 +2803,375 @@ Reaction 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.000e+00 9.912e-01 -8.813e-03 -Celestite 0.00 -6.62 -6.62 1.000e+00 1.000e+00 5.869e-05 -Dolomite 0.00 -17.12 -17.12 1.000e+00 1.005e+00 4.529e-03 -Gypsum 0.00 -4.61 -4.61 0.000e+00 1.201e-02 1.201e-02 -Pyrite -0.00 -58.78 -58.78 1.000e+00 1.000e+00 1.951e-11 -Quartz 0.00 -3.74 -3.74 1.000e+00 1.000e+00 6.930e-05 -Siderite 0.00 -10.80 -10.80 1.000e+00 9.998e-01 -2.076e-04 +Calcite 0.00 -8.48 -8.48 1.000e+00 9.914e-01 -8.612e-03 +Celestite 0.00 -6.62 -6.62 1.000e+00 1.000e+00 5.958e-05 +Dolomite 0.00 -17.13 -17.13 1.000e+00 1.004e+00 4.475e-03 +Gypsum -0.00 -4.61 -4.61 0.000e+00 1.191e-02 1.191e-02 +Pyrite 0.00 -16.82 -16.82 1.000e+00 1.000e+00 1.562e-10 +Quartz 0.00 -3.74 -3.74 1.000e+00 1.000e+00 6.931e-05 +Siderite 0.00 -10.68 -10.68 1.000e+00 9.997e-01 -2.981e-04 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 2.359e-03 1.466e-03 - Ca 3.629e-02 2.255e-02 - Cl 8.044e-01 4.997e-01 - Fe 3.341e-04 2.076e-04 + C 2.361e-03 1.467e-03 + Ca 3.606e-02 2.240e-02 + Cl 8.021e-01 4.983e-01 + Fe 4.798e-04 2.981e-04 K 3.215e-03 1.998e-03 - Mg 3.083e-02 1.915e-02 + Mg 2.991e-02 1.858e-02 Na 7.501e-01 4.660e-01 - S 4.132e-02 2.567e-02 + S 4.148e-02 2.577e-02 Si 1.728e-04 1.074e-04 - Sr 5.016e-04 3.117e-04 + Sr 4.979e-04 3.093e-04 ----------------------------Description of solution---------------------------- - pH = 7.046 Charge balance - pe = -2.769 Adjusted to redox equilibrium + pH = 7.047 Charge balance + pe = -2.687 Adjusted to redox equilibrium Activity of water = 0.973 - Ionic strength (mol/kgw) = 9.472e-01 + Ionic strength (mol/kgw) = 9.449e-01 Mass of water (kg) = 6.213e-01 - Total alkalinity (eq/kg) = 2.176e-03 - Total CO2 (mol/kg) = 2.359e-03 + Total alkalinity (eq/kg) = 2.173e-03 + Total CO2 (mol/kg) = 2.361e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 3.323e-12 + Electrical balance (eq) = 4.390e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 29 + Iterations = 27 Gamma iterations = 8 - Osmotic coefficient = 0.92309 - Total H = 6.897388e+01 - Total O = 3.459344e+01 + Osmotic coefficient = 0.92303 + Total H = 6.897183e+01 + Total O = 3.459282e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.607e-07 1.082e-07 -6.794 -6.966 -0.172 (0) - H+ 1.149e-07 8.992e-08 -6.940 -7.046 -0.106 0.00 + OH- 1.611e-07 1.085e-07 -6.793 -6.965 -0.172 (0) + H+ 1.146e-07 8.969e-08 -6.941 -7.047 -0.106 0.00 H2O 5.551e+01 9.729e-01 1.744 -0.012 0.000 18.07 -C(-4) 4.355e-17 - CH4 4.355e-17 4.355e-17 -16.361 -16.361 0.000 (0) -C(4) 2.359e-03 - HCO3- 1.629e-03 1.024e-03 -2.788 -2.990 -0.202 (0) - Na(HCO3) 2.840e-04 2.840e-04 -3.547 -3.547 0.000 (0) - CO2 2.118e-04 2.118e-04 -3.674 -3.674 0.000 (0) - Ca(HCO3)+ 1.276e-04 8.015e-05 -3.894 -4.096 -0.202 (0) - Mg(HCO3)+ 7.685e-05 4.829e-05 -4.114 -4.316 -0.202 (0) - Na(CO3)- 7.785e-06 4.892e-06 -5.109 -5.311 -0.202 (0) - Fe(CO3) 7.763e-06 7.763e-06 -5.110 -5.110 0.000 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - CO3-2 3.922e-06 5.326e-07 -5.406 -6.274 -0.867 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Sr(HCO3)+ 1.419e-06 8.913e-07 -5.848 -6.050 -0.202 (0) - FeHCO3+ 1.336e-06 8.392e-07 -5.874 -6.076 -0.202 (0) - FeCO3OH- 2.547e-08 1.600e-08 -7.594 -7.796 -0.202 (0) +C(-4) 5.271e-18 + CH4 5.271e-18 5.271e-18 -17.278 -17.278 0.000 (0) + CH3- 0.000e+00 0.000e+00 -56.029 -56.231 -0.202 (0) +C(4) 2.361e-03 + HCO3- 1.637e-03 1.029e-03 -2.786 -2.988 -0.202 (0) + Na(HCO3) 2.853e-04 2.853e-04 -3.545 -3.545 0.000 (0) + CO2 2.123e-04 2.123e-04 -3.673 -3.673 0.000 (0) + Ca(HCO3)+ 1.272e-04 7.994e-05 -3.896 -4.097 -0.202 (0) + Mg(HCO3)+ 7.489e-05 4.707e-05 -4.126 -4.327 -0.202 (0) + Na(CO3)- 7.839e-06 4.927e-06 -5.106 -5.307 -0.202 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + CO3-2 3.947e-06 5.364e-07 -5.404 -6.271 -0.867 (0) + FeCO3 3.890e-06 3.890e-06 -5.410 -5.410 0.000 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Sr(HCO3)+ 1.415e-06 8.891e-07 -5.849 -6.051 -0.202 (0) Sr(CO3) 1.978e-08 1.978e-08 -7.704 -7.704 0.000 (0) - FeCO3OH 1.643e-09 1.643e-09 -8.784 -8.784 0.000 (0) - Fe(CO3)2-2 1.526e-09 2.379e-10 -8.816 -9.624 -0.807 (0) - Fe(CO3)3-3 8.518e-14 1.301e-15 -13.070 -14.886 -1.816 (0) - CO 5.042e-18 5.042e-18 -17.297 -17.297 0.000 (0) -Ca 3.629e-02 - Ca+2 3.086e-02 6.218e-03 -1.511 -2.206 -0.696 (0) - Ca(SO4) 5.295e-03 5.295e-03 -2.276 -2.276 0.000 (0) - Ca(HCO3)+ 1.276e-04 8.015e-05 -3.894 -4.096 -0.202 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - Ca(H3SiO4)+ 2.804e-08 1.762e-08 -7.552 -7.754 -0.202 (0) - Ca(OH)+ 1.777e-08 1.117e-08 -7.750 -7.952 -0.202 (0) - Ca(S2O3) 1.739e-15 1.739e-15 -14.760 -14.760 0.000 (0) -Cl 8.044e-01 - Cl- 7.958e-01 5.365e-01 -0.099 -0.270 -0.171 (0) - MgCl+ 8.221e-03 5.166e-03 -2.085 -2.287 -0.202 (0) - SrCl+ 8.340e-05 5.240e-05 -4.079 -4.281 -0.202 (0) - FeCl3- 7.657e-05 4.811e-05 -4.116 -4.318 -0.202 (0) - FeCl+ 3.507e-05 2.204e-05 -4.455 -4.657 -0.202 (0) - FeCl2 2.587e-06 2.587e-06 -5.587 -5.587 0.000 (0) - HCl 9.406e-09 9.406e-09 -8.027 -8.027 0.000 (0) - FeCl+2 4.284e-19 6.678e-20 -18.368 -19.175 -0.807 (0) - FeCl2+ 2.858e-19 1.796e-19 -18.544 -18.746 -0.202 (0) - FeCl3 1.032e-20 1.032e-20 -19.986 -19.986 0.000 (0) - FeCl4- 1.059e-22 6.657e-23 -21.975 -22.177 -0.202 (0) - Cl2 0.000e+00 0.000e+00 -53.288 -53.288 0.000 (0) - ClO4- 0.000e+00 0.000e+00 -154.008 -154.187 -0.180 (0) -Fe(2) 3.341e-04 - Fe+2 1.909e-04 2.976e-05 -3.719 -4.526 -0.807 (0) - FeCl3- 7.657e-05 4.811e-05 -4.116 -4.318 -0.202 (0) - FeCl+ 3.507e-05 2.204e-05 -4.455 -4.657 -0.202 (0) - Fe(SO4) 1.967e-05 1.967e-05 -4.706 -4.706 0.000 (0) - Fe(CO3) 7.763e-06 7.763e-06 -5.110 -5.110 0.000 (0) - FeCl2 2.587e-06 2.587e-06 -5.587 -5.587 0.000 (0) - FeHCO3+ 1.336e-06 8.392e-07 -5.874 -6.076 -0.202 (0) - Fe(OH)+ 1.621e-07 1.018e-07 -6.790 -6.992 -0.202 (0) - FeCO3OH- 2.547e-08 1.600e-08 -7.594 -7.796 -0.202 (0) - Fe(CO3)2-2 1.526e-09 2.379e-10 -8.816 -9.624 -0.807 (0) - Fe(HS)+ 1.277e-10 8.022e-11 -9.894 -10.096 -0.202 (0) - Fe(HSO4)+ 2.087e-11 1.311e-11 -10.681 -10.882 -0.202 (0) - Fe(OH)2 8.751e-12 8.751e-12 -11.058 -11.058 0.000 (0) - Fe(OH)3- 7.552e-16 4.746e-16 -15.122 -15.324 -0.202 (0) - Fe(HS)2 1.273e-18 1.273e-18 -17.895 -17.895 0.000 (0) - Fe(OH)4-2 2.616e-22 4.079e-23 -21.582 -22.389 -0.807 (0) -Fe(3) 1.647e-09 - FeCO3OH 1.643e-09 1.643e-09 -8.784 -8.784 0.000 (0) - Fe(OH)2+ 1.974e-12 1.240e-12 -11.705 -11.906 -0.202 (0) - Fe(OH)3 1.729e-12 1.729e-12 -11.762 -11.762 0.000 (0) - Fe(CO3)3-3 8.518e-14 1.301e-15 -13.070 -14.886 -1.816 (0) - Fe(OH)4- 2.715e-14 1.706e-14 -13.566 -13.768 -0.202 (0) - Fe(OH)+2 1.579e-15 3.462e-16 -14.802 -15.461 -0.659 (0) - Fe(H3SiO4)+2 1.395e-16 2.175e-17 -15.855 -16.663 -0.807 (0) - FeCl+2 4.284e-19 6.678e-20 -18.368 -19.175 -0.807 (0) - Fe(SO4)+ 4.141e-19 2.602e-19 -18.383 -18.585 -0.202 (0) - Fe+3 3.245e-19 4.956e-21 -18.489 -20.305 -1.816 (0) - FeCl2+ 2.858e-19 1.796e-19 -18.544 -18.746 -0.202 (0) - Fe(SO4)2- 3.446e-20 2.165e-20 -19.463 -19.665 -0.202 (0) - FeCl3 1.032e-20 1.032e-20 -19.986 -19.986 0.000 (0) - FeCl4- 1.059e-22 6.657e-23 -21.975 -22.177 -0.202 (0) - FeHSO4+2 3.518e-25 5.485e-26 -24.454 -25.261 -0.807 (0) - Fe2(OH)2+4 5.461e-27 3.226e-30 -26.263 -29.491 -3.229 (0) - FeS2O3+ 2.206e-31 1.386e-31 -30.656 -30.858 -0.202 (0) - Fe3(OH)4+5 9.267e-35 8.360e-40 -34.033 -39.078 -5.045 (0) -H(0) 4.633e-12 - H2 2.317e-12 2.317e-12 -11.635 -11.635 0.000 (0) + Fe(OH)CO3 2.079e-09 2.079e-09 -8.682 -8.682 0.000 (0) + Fe(CO3)2-2 7.875e-10 1.229e-10 -9.104 -9.911 -0.807 (0) + Fe(CO3)3-3 7.191e-14 1.100e-15 -13.143 -14.958 -1.815 (0) + CO 3.460e-18 3.460e-18 -17.461 -17.461 0.000 (0) +Ca 3.606e-02 + Ca+2 3.063e-02 6.173e-03 -1.514 -2.209 -0.696 (0) + Ca(SO4) 5.294e-03 5.294e-03 -2.276 -2.276 0.000 (0) + Ca(HCO3)+ 1.272e-04 7.994e-05 -3.896 -4.097 -0.202 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + Ca(H3SiO4)+ 2.790e-08 1.754e-08 -7.554 -7.756 -0.202 (0) + Ca(OH)+ 1.768e-08 1.111e-08 -7.752 -7.954 -0.202 (0) + Ca(S2O3) 1.105e-16 1.105e-16 -15.957 -15.957 0.000 (0) +Cl 8.021e-01 + Cl- 7.938e-01 5.351e-01 -0.100 -0.272 -0.171 (0) + MgCl+ 7.955e-03 5.000e-03 -2.099 -2.301 -0.202 (0) + FeCl+ 2.475e-04 2.084e-04 -3.606 -3.681 -0.075 (0) + SrCl+ 8.257e-05 5.190e-05 -4.083 -4.285 -0.202 (0) + FeCl2+ 5.392e-19 3.389e-19 -18.268 -18.470 -0.202 (0) + FeCl+2 2.514e-19 1.264e-19 -18.600 -18.898 -0.299 (0) + FeCl3 1.144e-20 1.144e-20 -19.942 -19.942 0.000 (0) + FeCl4- 9.742e-23 6.123e-23 -22.011 -22.213 -0.202 (0) + Cl2 0.000e+00 0.000e+00 -53.128 -53.128 0.000 (0) + ClO4- 0.000e+00 0.000e+00 -153.051 -153.230 -0.180 (0) +Fe(2) 4.798e-04 + FeCl+ 2.475e-04 2.084e-04 -3.606 -3.681 -0.075 (0) + Fe+2 1.829e-04 3.895e-05 -3.738 -4.409 -0.672 (0) + Fe(SO4) 4.506e-05 4.506e-05 -4.346 -4.346 0.000 (0) + FeCO3 3.890e-06 3.890e-06 -5.410 -5.410 0.000 (0) + Fe(OH)+ 3.780e-07 2.376e-07 -6.422 -6.624 -0.202 (0) + Fe(CO3)2-2 7.875e-10 1.229e-10 -9.104 -9.911 -0.807 (0) + Fe(HS)+ 3.691e-11 2.320e-11 -10.433 -10.635 -0.202 (0) + Fe(OH)2 6.625e-12 6.625e-12 -11.179 -11.179 0.000 (0) + Fe(OH)3- 1.143e-17 7.186e-18 -16.942 -17.143 -0.202 (0) + Fe(HS)2 8.134e-20 8.134e-20 -19.090 -19.090 0.000 (0) + Fe(OH)4-2 1.654e-22 2.581e-23 -21.781 -22.588 -0.807 (0) +Fe(3) 2.103e-09 + Fe(OH)CO3 2.079e-09 2.079e-09 -8.682 -8.682 0.000 (0) + Fe(OH)2+ 2.116e-11 1.330e-11 -10.675 -10.876 -0.202 (0) + Fe(OH)3 2.507e-12 2.507e-12 -11.601 -11.601 0.000 (0) + Fe(CO3)3-3 7.191e-14 1.100e-15 -13.143 -14.958 -1.815 (0) + Fe(OH)4- 3.946e-14 2.480e-14 -13.404 -13.606 -0.202 (0) + Fe(OH)+2 2.498e-15 5.476e-16 -14.602 -15.262 -0.659 (0) + Fe(H3SiO4)+2 2.010e-16 3.137e-17 -15.697 -16.503 -0.807 (0) + Fe(SO4)+ 8.474e-19 5.326e-19 -18.072 -18.274 -0.202 (0) + FeCl2+ 5.392e-19 3.389e-19 -18.268 -18.470 -0.202 (0) + Fe(SO4)2- 3.322e-19 2.088e-19 -18.479 -18.680 -0.202 (0) + FeCl+2 2.514e-19 1.264e-19 -18.600 -18.898 -0.299 (0) + Fe+3 1.162e-19 7.131e-21 -18.935 -20.147 -1.212 (0) + FeCl3 1.144e-20 1.144e-20 -19.942 -19.942 0.000 (0) + FeCl4- 9.742e-23 6.123e-23 -22.011 -22.213 -0.202 (0) + Fe2(OH)2+4 1.527e-26 9.055e-30 -25.816 -29.043 -3.227 (0) + FeS2O3+ 7.206e-32 4.529e-32 -31.142 -31.344 -0.202 (0) + Fe3(OH)4+5 2.773e-34 2.516e-39 -33.557 -38.599 -5.042 (0) +H(0) 3.172e-12 + H2 1.586e-12 1.586e-12 -11.800 -11.800 0.000 (0) K 3.215e-03 - K+ 3.215e-03 2.020e-03 -2.493 -2.695 -0.202 (0) -Mg 3.083e-02 - Mg+2 1.948e-02 4.301e-03 -1.710 -2.366 -0.656 (0) - MgCl+ 8.221e-03 5.166e-03 -2.085 -2.287 -0.202 (0) - Mg(SO4) 3.047e-03 3.047e-03 -2.516 -2.516 0.000 (0) - Mg(HCO3)+ 7.685e-05 4.829e-05 -4.114 -4.316 -0.202 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Mg(OH)+ 1.547e-07 9.723e-08 -6.810 -7.012 -0.202 (0) - Mg(H3SiO4)+ 3.449e-08 2.167e-08 -7.462 -7.664 -0.202 (0) - Mg(S2O3) 1.001e-15 1.001e-15 -15.000 -15.000 0.000 (0) - Mg4(OH)4+4 1.412e-18 8.343e-22 -17.850 -21.079 -3.229 (0) + K+ 3.215e-03 2.021e-03 -2.493 -2.694 -0.202 (0) +Mg 2.991e-02 + Mg+2 1.890e-02 4.174e-03 -1.724 -2.379 -0.656 (0) + MgCl+ 7.955e-03 5.000e-03 -2.099 -2.301 -0.202 (0) + Mg(SO4) 2.977e-03 2.977e-03 -2.526 -2.526 0.000 (0) + Mg(HCO3)+ 7.489e-05 4.707e-05 -4.126 -4.327 -0.202 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Mg(OH)+ 1.505e-07 9.459e-08 -6.822 -7.024 -0.202 (0) + Mg(H3SiO4)+ 3.355e-08 2.108e-08 -7.474 -7.676 -0.202 (0) + Mg(S2O3) 2.205e-16 2.205e-16 -15.657 -15.657 0.000 (0) + Mg4(OH)4+4 1.260e-18 7.471e-22 -17.900 -21.127 -3.227 (0) Na 7.501e-01 Na+ 7.498e-01 4.933e-01 -0.125 -0.307 -0.182 (0) - Na(HCO3) 2.840e-04 2.840e-04 -3.547 -3.547 0.000 (0) - Na(CO3)- 7.785e-06 4.892e-06 -5.109 -5.311 -0.202 (0) - Na(S2O3)- 1.126e-14 7.076e-15 -13.948 -14.150 -0.202 (0) -O(0) -5.041e-18 - CO 5.042e-18 5.042e-18 -17.297 -17.297 0.000 (0) - S2-2 1.008e-21 1.572e-22 -20.996 -21.804 -0.807 (0) - S3-2 4.300e-26 6.703e-27 -25.367 -26.174 -0.807 (0) - S4-2 1.455e-31 2.269e-32 -30.837 -31.644 -0.807 (0) - S4O6-2 3.655e-35 5.698e-36 -34.437 -35.244 -0.807 (0) - S5-2 2.971e-37 4.632e-38 -36.527 -37.334 -0.807 (0) - S3O6-2 0.000e+00 0.000e+00 -42.707 -43.514 -0.807 (0) - Cl2 0.000e+00 0.000e+00 -53.288 -53.288 0.000 (0) - S5O6-2 0.000e+00 0.000e+00 -55.567 -56.375 -0.807 (0) - HSO5- 0.000e+00 0.000e+00 -60.891 -61.093 -0.202 (0) - O2 0.000e+00 0.000e+00 -68.893 -68.893 0.000 (0) - S2O8-2 0.000e+00 0.000e+00 -74.869 -75.677 -0.807 (0) - ClO4- 0.000e+00 0.000e+00 -154.008 -154.187 -0.180 (0) -S(-2) 4.320e-10 - HS- 1.961e-10 1.232e-10 -9.708 -9.909 -0.202 (0) - Fe(HS)+ 1.277e-10 8.022e-11 -9.894 -10.096 -0.202 (0) - H2S 1.083e-10 1.083e-10 -9.966 -9.966 0.000 (0) - Fe(HS)2 1.273e-18 1.273e-18 -17.895 -17.895 0.000 (0) - S-2 6.981e-20 1.088e-20 -19.156 -19.963 -0.807 (0) - S2-2 1.008e-21 1.572e-22 -20.996 -21.804 -0.807 (0) - S3-2 4.300e-26 6.703e-27 -25.367 -26.174 -0.807 (0) - S4-2 1.455e-31 2.269e-32 -30.837 -31.644 -0.807 (0) - S5-2 2.971e-37 4.632e-38 -36.527 -37.334 -0.807 (0) -S(2) 7.322e-14 - S2O3-2 2.259e-14 3.521e-15 -13.646 -14.453 -0.807 (0) - Na(S2O3)- 1.126e-14 7.076e-15 -13.948 -14.150 -0.202 (0) - Ca(S2O3) 1.739e-15 1.739e-15 -14.760 -14.760 0.000 (0) - Mg(S2O3) 1.001e-15 1.001e-15 -15.000 -15.000 0.000 (0) - Sr(S2O3) 2.221e-17 2.221e-17 -16.653 -16.653 0.000 (0) - H(S2O3)- 2.645e-20 1.662e-20 -19.578 -19.779 -0.202 (0) - H2(S2O3) 5.949e-27 5.949e-27 -26.226 -26.226 0.000 (0) - FeS2O3+ 2.206e-31 1.386e-31 -30.656 -30.858 -0.202 (0) -S(3) 2.179e-33 - S2O4-2 1.090e-33 1.699e-34 -32.963 -33.770 -0.807 (0) - HS2O4- 7.688e-39 4.831e-39 -38.114 -38.316 -0.202 (0) - H2S2O4 0.000e+00 0.000e+00 -45.062 -45.062 0.000 (0) -S(4) 2.714e-14 - SO3-2 2.108e-14 2.862e-15 -13.676 -14.543 -0.867 (0) - H(SO3)- 6.058e-15 3.807e-15 -14.218 -14.419 -0.202 (0) - SO2 2.549e-20 2.549e-20 -19.594 -19.594 0.000 (0) - H2(SO3) 2.480e-20 2.480e-20 -19.606 -19.606 0.000 (0) - S2O5-2 3.092e-30 4.821e-31 -29.510 -30.317 -0.807 (0) - S4O6-2 3.655e-35 5.698e-36 -34.437 -35.244 -0.807 (0) - S3O6-2 0.000e+00 0.000e+00 -42.707 -43.514 -0.807 (0) - S5O6-2 0.000e+00 0.000e+00 -55.567 -56.375 -0.807 (0) -S(6) 4.132e-02 - SO4-2 3.291e-02 4.170e-03 -1.483 -2.380 -0.897 (0) - Ca(SO4) 5.295e-03 5.295e-03 -2.276 -2.276 0.000 (0) - Mg(SO4) 3.047e-03 3.047e-03 -2.516 -2.516 0.000 (0) + Na(HCO3) 2.853e-04 2.853e-04 -3.545 -3.545 0.000 (0) + Na(CO3)- 7.839e-06 4.927e-06 -5.106 -5.307 -0.202 (0) + Na(S2O3)- 2.557e-15 1.607e-15 -14.592 -14.794 -0.202 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -68.574 -68.574 0.000 (0) +S(-2) 1.041e-10 + HS- 4.331e-11 2.722e-11 -10.363 -10.565 -0.202 (0) + Fe(HS)+ 3.691e-11 2.320e-11 -10.433 -10.635 -0.202 (0) + H2S 2.386e-11 2.386e-11 -10.622 -10.622 0.000 (0) + Fe(HS)2 8.134e-20 8.134e-20 -19.090 -19.090 0.000 (0) + S-2 1.545e-20 2.411e-21 -19.811 -20.618 -0.807 (0) + S2-2 7.182e-23 1.121e-23 -22.144 -22.951 -0.807 (0) + S3-2 9.854e-28 1.538e-28 -27.006 -27.813 -0.807 (0) + S4-2 1.074e-33 1.676e-34 -32.969 -33.776 -0.807 (0) + S5-2 7.052e-40 1.100e-40 -39.152 -39.958 -0.807 (0) +S(2) 1.603e-14 + S2O3-2 5.124e-15 7.996e-16 -14.290 -15.097 -0.807 (0) + Na(S2O3)- 2.557e-15 1.607e-15 -14.592 -14.794 -0.202 (0) + Mg(S2O3) 2.205e-16 2.205e-16 -15.657 -15.657 0.000 (0) + Ca(S2O3) 1.105e-16 1.105e-16 -15.957 -15.957 0.000 (0) + Sr(S2O3) 5.007e-18 5.007e-18 -17.300 -17.300 0.000 (0) + H(S2O3)- 5.988e-21 3.764e-21 -20.223 -20.424 -0.202 (0) + H2(S2O3) 1.344e-27 1.344e-27 -26.872 -26.872 0.000 (0) + FeS2O3+ 7.206e-32 4.529e-32 -31.142 -31.344 -0.202 (0) +S(3) 7.054e-34 + S2O4-2 3.527e-34 5.504e-35 -33.453 -34.259 -0.807 (0) + HS2O4- 2.484e-39 1.561e-39 -38.605 -38.807 -0.202 (0) + H2S2O4 0.000e+00 0.000e+00 -45.554 -45.554 0.000 (0) +S(4) 1.870e-14 + SO3-2 1.453e-14 1.975e-15 -13.838 -14.704 -0.867 (0) + H(SO3)- 4.168e-15 2.620e-15 -14.380 -14.582 -0.202 (0) + SO2 1.750e-20 1.750e-20 -19.757 -19.757 0.000 (0) + H2(SO3) 1.702e-20 1.702e-20 -19.769 -19.769 0.000 (0) + S2O5-2 1.463e-30 2.283e-31 -29.835 -30.642 -0.807 (0) + S4O6-2 2.616e-36 4.083e-37 -35.582 -36.389 -0.807 (0) + S3O6-2 0.000e+00 0.000e+00 -43.360 -44.166 -0.807 (0) + S5O6-2 0.000e+00 0.000e+00 -57.195 -58.002 -0.807 (0) +S(6) 4.148e-02 + SO4-2 3.312e-02 4.200e-03 -1.480 -2.377 -0.897 (0) + Ca(SO4) 5.294e-03 5.294e-03 -2.276 -2.276 0.000 (0) + Mg(SO4) 2.977e-03 2.977e-03 -2.526 -2.526 0.000 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - Fe(SO4) 1.967e-05 1.967e-05 -4.706 -4.706 0.000 (0) - H(SO4)- 5.799e-08 3.581e-08 -7.237 -7.446 -0.209 (0) - Fe(HSO4)+ 2.087e-11 1.311e-11 -10.681 -10.882 -0.202 (0) - Fe(SO4)+ 4.141e-19 2.602e-19 -18.383 -18.585 -0.202 (0) - Fe(SO4)2- 3.446e-20 2.165e-20 -19.463 -19.665 -0.202 (0) - FeHSO4+2 3.518e-25 5.485e-26 -24.454 -25.261 -0.807 (0) - HSO5- 0.000e+00 0.000e+00 -60.891 -61.093 -0.202 (0) - S2O8-2 0.000e+00 0.000e+00 -74.869 -75.677 -0.807 (0) + Fe(SO4) 4.506e-05 4.506e-05 -4.346 -4.346 0.000 (0) + H(SO4)- 5.824e-08 3.598e-08 -7.235 -7.444 -0.209 (0) + Fe(SO4)+ 8.474e-19 5.326e-19 -18.072 -18.274 -0.202 (0) + Fe(SO4)2- 3.322e-19 2.088e-19 -18.479 -18.680 -0.202 (0) + HSO5- 0.000e+00 0.000e+00 -60.724 -60.926 -0.202 (0) + S2O8-2 0.000e+00 0.000e+00 -74.701 -75.508 -0.807 (0) Si 1.728e-04 - H4(SiO4) 1.722e-04 1.722e-04 -3.764 -3.764 0.000 (0) - H3(SiO4)- 5.059e-07 2.769e-07 -6.296 -6.558 -0.262 (0) - Mg(H3SiO4)+ 3.449e-08 2.167e-08 -7.462 -7.664 -0.202 (0) - Ca(H3SiO4)+ 2.804e-08 1.762e-08 -7.552 -7.754 -0.202 (0) - Si2O2(OH)5- 1.959e-09 1.072e-09 -8.708 -8.970 -0.262 (0) - Si2O3(OH)4-2 1.248e-12 1.501e-13 -11.904 -12.824 -0.920 (0) - H2(SiO4)-2 1.176e-12 1.543e-13 -11.929 -12.812 -0.882 (0) - Si4O6(OH)6-2 1.957e-16 3.051e-17 -15.708 -16.516 -0.807 (0) - Fe(H3SiO4)+2 1.395e-16 2.175e-17 -15.855 -16.663 -0.807 (0) - Si3O6(OH)3-3 3.856e-18 3.825e-20 -17.414 -19.417 -2.004 (0) - Si3O5(OH)5-3 2.980e-18 2.956e-20 -17.526 -19.529 -2.004 (0) - Si4O8(OH)4-4 2.514e-23 9.479e-27 -22.600 -26.023 -3.424 (0) - Si4O7(OH)6-4 1.966e-23 1.161e-26 -22.707 -25.935 -3.229 (0) - Si6O15-6 1.842e-35 0.000e+00 -34.735 -41.999 -7.264 (0) -Sr 5.016e-04 - Sr+2 3.690e-04 5.752e-05 -3.433 -4.240 -0.807 (0) - SrCl+ 8.340e-05 5.240e-05 -4.079 -4.281 -0.202 (0) + H4(SiO4) 1.723e-04 1.723e-04 -3.764 -3.764 0.000 (0) + H3(SiO4)- 5.071e-07 2.776e-07 -6.295 -6.557 -0.262 (0) + Mg(H3SiO4)+ 3.355e-08 2.108e-08 -7.474 -7.676 -0.202 (0) + Ca(H3SiO4)+ 2.790e-08 1.754e-08 -7.554 -7.756 -0.202 (0) + Si2O2(OH)5- 1.964e-09 1.075e-09 -8.707 -8.968 -0.262 (0) + Si2O3(OH)4-2 1.253e-12 1.509e-13 -11.902 -12.821 -0.919 (0) + H2(SiO4)-2 1.181e-12 1.551e-13 -11.928 -12.809 -0.882 (0) + Fe(H3SiO4)+2 2.010e-16 3.137e-17 -15.697 -16.503 -0.807 (0) + Si4O6(OH)6-2 1.966e-16 3.068e-17 -15.706 -16.513 -0.807 (0) + Si3O6(OH)3-3 3.878e-18 3.855e-20 -17.411 -19.414 -2.003 (0) + Si3O5(OH)5-3 2.997e-18 2.979e-20 -17.523 -19.526 -2.003 (0) + Si4O8(OH)4-4 2.531e-23 9.579e-27 -22.597 -26.019 -3.422 (0) + Si4O7(OH)6-4 1.979e-23 1.173e-26 -22.704 -25.931 -3.227 (0) + Si6O15-6 1.856e-35 0.000e+00 -34.731 -41.992 -7.261 (0) +Sr 4.979e-04 + Sr+2 3.660e-04 5.711e-05 -3.437 -4.243 -0.807 (0) + SrCl+ 8.257e-05 5.190e-05 -4.083 -4.285 -0.202 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - Sr(HCO3)+ 1.419e-06 8.913e-07 -5.848 -6.050 -0.202 (0) + Sr(HCO3)+ 1.415e-06 8.891e-07 -5.849 -6.051 -0.202 (0) Sr(CO3) 1.978e-08 1.978e-08 -7.704 -7.704 0.000 (0) - Sr(OH)+ 5.079e-11 3.192e-11 -10.294 -10.496 -0.202 (0) - Sr(S2O3) 2.221e-17 2.221e-17 -16.653 -16.653 0.000 (0) + Sr(OH)+ 5.055e-11 3.177e-11 -10.296 -10.498 -0.202 (0) + Sr(S2O3) 5.007e-18 5.007e-18 -17.300 -17.300 0.000 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - Acmite -0.85 0.07 0.92 NaFeSi2O6 - Afwillite -21.31 28.11 49.42 Ca3Si2O4(OH)6 + Acmite -0.66 0.23 0.89 NaFeSi2O6 + Afwillite -21.32 28.10 49.42 Ca3Si2O4(OH)6 Anhydrite -0.15 -4.59 -4.44 Ca(SO4) Antarcticite -6.76 -2.82 3.94 CaCl2:6H2O - Antigorite -65.42 434.74 500.16 Mg48Si34O85(OH)62 + Antigorite -65.67 434.22 499.89 Mg48Si34O85(OH)62 Aragonite -0.17 -8.48 -8.31 CaCO3 Arcanite -5.92 -7.77 -1.85 K2SO4 - Artinite -6.78 3.03 9.81 Mg2(CO3)(OH)2:3H2O + Artinite -6.80 3.01 9.81 Mg2(CO3)(OH)2:3H2O Bassanite -0.67 -4.59 -3.92 CaSO4:0.5H2O - Bischofite -7.44 -2.98 4.46 MgCl2:6H2O + Bischofite -7.45 -2.99 4.46 MgCl2:6H2O Bloedite -5.44 -7.79 -2.35 Na2Mg(SO4)2:4H2O - Brucite -5.40 11.70 17.10 Mg(OH)2 + Brucite -5.41 11.69 17.10 Mg(OH)2 Burkeite -12.10 -12.87 -0.77 Na6(CO3)(SO4)2 - C(cr) -5.29 48.54 53.83 C - C2SH(alpha) -15.54 20.00 35.54 Ca2(HSiO4)(OH) - C3FH6 -35.21 37.18 72.39 Ca3Fe2(OH)12 - C4FH13 -46.19 48.97 95.16 Ca4Fe2(OH)14:6H2O - Ca(s) -93.52 46.32 139.84 Ca - Ca(SO3)(s) -10.25 -16.75 -6.50 Ca(SO3) + C(cr) -5.62 -37.77 -32.15 C + C2SH(alpha) -15.55 19.99 35.54 Ca2(HSiO4)(OH) + C3FH6 -34.83 37.50 72.33 Ca3Fe2(OH)12 + C4FH13 -45.79 49.29 95.08 Ca4Fe2(OH)14:6H2O + Ca(cr) -93.68 3.17 96.85 Ca + Ca(SO3)(s) -10.41 -16.91 -6.50 Ca(SO3) Ca2Cl2(OH)2:H2O(s) -17.43 9.10 26.53 Ca2Cl2(OH)2:H2O - Ca2Fe2O5(s) -31.38 25.38 56.76 Ca2Fe2O5 + Ca2Fe2O5(s) -31.04 25.70 56.74 Ca2Fe2O5 Ca4Cl2(OH)6:13H2O(s) -36.05 32.68 68.73 Ca4Cl2(OH)6:13H2O - CaCl2:2H2O(cr) -10.72 -2.77 7.95 CaCl2:2H2O - CaCl2:4H2O(cr) -8.14 -2.79 5.35 CaCl2:4H2O + CaCl2:2H2O(cr) -10.73 -2.78 7.95 CaCl2:2H2O + CaCl2:4H2O(cr) -8.15 -2.80 5.35 CaCl2:4H2O CaCl2:H2O(s) -10.61 -2.76 7.85 CaCl2:H2O CaCO3:H2O(s) -0.89 -8.49 -7.60 CaCO3:H2O - CaFe2O4(s) -7.73 13.51 21.24 CaFe2O4 + CaFe2O4(s) -7.41 13.83 21.24 CaFe2O4 Calcite 0.00 -8.48 -8.48 CaCO3 - CaMg3(CO3)4(s) -3.59 -34.40 -30.81 CaMg3(CO3)4 + CaMg3(CO3)4(s) -3.62 -34.43 -30.81 CaMg3(CO3)4 CaO(cr) -20.83 11.87 32.70 CaO - Carnallite -10.27 -5.94 4.33 KMgCl3:6H2O + Carnallite -10.29 -5.96 4.33 KMgCl3:6H2O Celestite 0.00 -6.62 -6.62 Sr(SO4) - CH4(g) -13.50 117.41 130.91 CH4 - Cl2(g) -52.06 -49.07 2.99 Cl2 - CO(g) -14.26 14.09 28.35 CO + CH4(g) -14.16 -55.21 -41.05 CH4 + Chukanovite -3.99 -1.02 2.97 Fe2(OH)2CO3 + Cl2(g) -51.90 -5.92 45.98 Cl2 + CO(g) -14.42 -29.06 -14.64 CO CO2(g) -2.20 -20.35 -18.15 CO2 Cristobalite -0.58 -3.74 -3.16 SiO2 - Cronstedtite-Th 0.87 16.98 16.11 Fe4SiO5(OH)4 + Cronstedtite-Th 1.43 17.54 16.11 Fe4SiO5(OH)4 CSH0.8 -5.31 5.74 11.05 Ca0.8SiO2.8:1.54H2O CSH1.2 -8.82 10.48 19.30 Ca1.2SiO3.2:2.06H2O CSH1.6 -12.77 15.23 28.00 Ca1.6SiO3.6:2.58H2O - Dolomite 0.00 -17.12 -17.12 CaMg(CO3)2 - Epsonite -2.95 -4.83 -1.88 Mg(SO4):7H2O - Ettringite-Fe -31.44 23.11 54.55 Ca6Fe2(SO4)3(OH)12:26H2O - Fayalite -4.14 15.37 19.51 Fe2(SiO4) - Fe(OH)2(cr) -3.22 9.54 12.76 Fe(OH)2 - Fe(s) -14.85 44.00 58.85 Fe - FeO(s) -3.82 9.55 13.37 FeO - Ferrihydrite(am) -1.74 0.80 2.54 Fe(OH)3 - Ferrosilite -26.90 5.81 32.71 FeSiO3 - Ferryhydrite -0.39 0.80 1.19 Fe(OH)3 - FeS(am) -4.44 -7.39 -2.95 FeS - Foshagite -29.70 36.26 65.96 Ca4Si3O9(OH)2:0.5H2O - Gaylussite -6.00 -15.43 -9.43 CaNa2(CO3)2:5H2O - Glaserite -18.69 -26.30 -7.61 Na2K6(SO4)4 + Dolomite 0.00 -17.13 -17.13 CaMg(CO3)2 + Epsonite -2.96 -4.84 -1.88 Mg(SO4):7H2O + Ettringite-Fe -31.12 23.43 54.55 Ca6Fe2(SO4)3(OH)12:26H2O + Fayalite -3.94 15.61 19.55 Fe2(SiO4) + Fe(alpha,cr) -14.92 0.97 15.89 Fe + Fe(OH)2(cr) -3.12 9.66 12.78 Fe(OH)2 + Fe0.932O(s) -3.90 9.61 13.51 Fe0.932O + Fe3O4(s) -0.97 11.63 12.60 Fe3O4 + FeO(s) -3.72 9.67 13.39 FeO + Ferrihydrite(am) -2.96 0.96 3.92 Fe(OH)3 + Ferrihydrite(cr) -0.26 0.96 1.22 Fe(OH)3 + Ferrihydrite(s) -1.82 0.96 2.78 Fe(OH)3 + Ferrosilite -26.78 5.93 32.71 FeSiO3 + FeS(am) -4.98 -7.93 -2.95 FeS + Foshagite -29.71 36.25 65.96 Ca4Si3O9(OH)2:0.5H2O + Gaylussite -5.99 -15.42 -9.43 CaNa2(CO3)2:5H2O + Glaserite -18.68 -26.29 -7.61 Na2K6(SO4)4 Glauberite -9.55 -7.58 1.97 Na2Ca(SO4)2 - Goethite 0.42 0.81 0.39 FeOOH - Greenalite -0.61 21.16 21.77 Fe3Si2O5(OH)4 - Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O + Goethite 0.80 0.97 0.17 FeOOH + GR-Cl -6.11 35.69 41.80 Fe3Fe(OH)8Cl + GR-CO3 -9.20 46.30 55.50 Fe4Fe2(OH)12CO3:2H2O + GR-SO4 -8.08 50.22 58.30 Fe4Fe2(OH)12SO4 + Greenalite -0.30 21.52 21.82 Fe3Si2O5(OH)4 + Greigite -17.64 -32.67 -15.03 Fe3S4 + Gypsum -0.00 -4.61 -4.61 CaSO4:2H2O Gyrolite -9.84 12.50 22.34 Ca2Si3O7.5(OH):2H2O - H2(g) -8.56 34.43 42.99 H2 - H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -8.96 -16.96 -8.00 H2S + H2(g) -8.72 -8.72 0.00 H2 + H2O(g) -1.51 -43.01 -41.50 H2O + H2S(g) -9.61 -17.61 -8.00 H2S Halite -2.17 -0.58 1.59 NaCl HCl(g) -13.61 -7.32 6.29 HCl - Hematite 2.65 1.63 -1.02 Fe2O3 - Hexahydrite -3.18 -4.82 -1.64 Mg(SO4):6H2O + Hematite(cr) 2.78 1.95 -0.83 Fe2O3 + Hematite(s) 2.05 1.95 -0.10 Fe2O3 + Hexahydrite -3.19 -4.83 -1.64 Mg(SO4):6H2O Hillebrandite -16.96 19.99 36.95 Ca2SiO3(OH)2:0.17H2O Hydrophilite -14.52 -2.75 11.77 CaCl2 - Jaffeite -50.33 63.73 114.06 Ca6(Si2O7)(OH)6 - Jennite -63.04 84.29 147.33 Ca9Si6O16(OH)10:6(H2O) - K(cr) -49.42 21.57 70.99 K + Jaffeite -50.34 63.72 114.06 Ca6(Si2O7)(OH)6 + Jennite -63.04 84.29 147.33 Ca9Si6O16(OH)10:6H2O + K(cr) -49.50 -0.01 49.49 K K(OH)(s) -20.26 4.34 24.60 K(OH) K-carbonate -14.71 -11.68 3.03 K2CO3:1.5H2O K-trona -16.21 -25.31 -9.10 K2NaH(CO3)2:2H2O K2CO3(cr) -17.07 -11.66 5.41 K2CO3 K2O(s) -75.42 8.69 84.11 K2O - Kainite -7.56 -7.75 -0.19 KMgCl(SO4):3H2O + Kainite -7.57 -7.76 -0.19 KMgCl(SO4):3H2O Kalicinite -5.95 -16.01 -10.06 KHCO3 - Lansfordite -3.66 -8.70 -5.04 Mg(CO3):5H2O - Lawrencite -13.96 -5.07 8.89 FeCl2 - Leonhardtite -3.90 -4.79 -0.89 MgSO4:4H2O - Leonite -8.58 -12.56 -3.98 K2Mg(SO4)2:4H2O - Lepidocrocite 0.06 0.81 0.75 FeOOH - Lizardite -5.46 27.64 33.10 Mg3Si2O5(OH)4 - Mackinawite -3.79 -7.39 -3.60 FeS - Maghemite(disord) -1.68 1.63 3.31 Fe2O3 - Maghemite(ord) -1.89 1.63 3.52 Fe2O3 - Magnesite(nat) 0.27 -8.64 -8.91 MgCO3 - Magnesite(syn) -0.54 -8.64 -8.10 Mg(CO3) - Magnetite 0.78 11.19 10.41 Fe3O4 - Melanterite -4.78 -6.99 -2.21 FeSO4:7H2O + Lansfordite -3.67 -8.71 -5.04 Mg(CO3):5H2O + Lawrencite -13.88 -4.95 8.93 FeCl2 + Leonhardtite -3.91 -4.80 -0.89 MgSO4:4H2O + Leonite -8.59 -12.57 -3.98 K2Mg(SO4)2:4H2O + Lepidocrocite -0.89 0.97 1.86 FeOOH + Lizardite -5.47 27.61 33.08 Mg3Si2O5(OH)4 + Mackinawite -4.74 -7.93 -3.19 FeS + Maghemite -0.84 1.95 2.79 Fe2O3 + Magnesite(nat) 0.26 -8.65 -8.91 MgCO3 + Magnesite(syn) -0.55 -8.65 -8.10 Mg(CO3) + Magnetite 1.29 11.63 10.34 Fe3O4 + Melanterite -4.59 -6.87 -2.28 FeSO4:7H2O Mercallite -10.72 -12.12 -1.40 KHSO4 - Mg(cr) -76.61 46.16 122.77 Mg - Mg(SO4)(s) -13.85 -4.75 9.10 Mg(SO4) - Mg(SO4):H2O(s) -4.64 -4.76 -0.12 Mg(SO4):H2O - Mg-oxychlorur -9.98 16.05 26.03 Mg2Cl(OH)3:4H2O - Mg5(CO3)4(OH)2:4H2O(s) -12.60 -22.91 -10.31 Mg5(CO3)4(OH)2:4H2O - MgCl2(s) -24.94 -2.91 22.03 MgCl2 - MgCl2:2H2O(s) -15.83 -2.93 12.90 MgCl2:2H2O - MgCl2:4H2O(s) -10.40 -2.96 7.44 MgCl2:4H2O - MgCl2:H2O(s) -19.14 -2.92 16.22 MgCl2:H2O - Minnesotaite -1.24 13.69 14.93 Fe3Si4O10(OH)2 + Mg(cr) -76.78 3.00 79.78 Mg + Mg(SO4)(s) -13.86 -4.76 9.10 Mg(SO4) + Mg(SO4):H2O(s) -4.65 -4.77 -0.12 Mg(SO4):H2O + Mg-oxychlorur -10.00 16.03 26.03 Mg2Cl(OH)3:4H2O + Mg5(CO3)4(OH)2:4H2O(s) -12.65 -22.96 -10.31 Mg5(CO3)4(OH)2:4H2O + MgCl2(s) -24.95 -2.92 22.03 MgCl2 + MgCl2:2H2O(s) -15.85 -2.95 12.90 MgCl2:2H2O + MgCl2:4H2O(s) -10.41 -2.97 7.44 MgCl2:4H2O + MgCl2:H2O(s) -19.15 -2.93 16.22 MgCl2:H2O + Minnesotaite -0.94 14.05 14.99 Fe3Si4O10(OH)2 Mirabilite -1.88 -3.11 -1.23 Na2SO4:10H2O - Monosulfate-Fe -33.53 32.52 66.05 Ca4Fe2(SO4)(OH)12:6H2O - Na(cr) -43.43 23.96 67.38 Na - Na2(CO3)(cr) -8.01 -6.89 1.12 Na2(CO3) + Monosulfate-Fe -33.21 32.84 66.05 Ca4Fe2(SO4)(OH)12:6H2O + Na(cr) -43.51 2.38 45.89 Na + Na2(CO3)(cr) -8.00 -6.88 1.12 Na2(CO3) Na2CO3:7H2O(s) -6.51 -6.97 -0.46 Na2CO3:7H2O Na2O(cr) -53.99 13.47 67.46 Na2O - Nahcolite -2.89 -13.63 -10.74 Na(HCO3) - Natron -6.18 -7.01 -0.83 Na2(CO3):10H2O - Nesquehonite -3.58 -8.68 -5.10 Mg(CO3):3H2O - O2(g) -65.99 -68.89 -2.90 O2 + Nahcolite -2.88 -13.62 -10.74 Na(HCO3) + Natron -6.17 -7.00 -0.83 Na2(CO3):10H2O + Nesquehonite -3.59 -8.69 -5.10 Mg(CO3):3H2O + O2(g) -65.67 -68.57 -2.90 O2 Okenite -4.81 4.37 9.18 CaSi2O5:2H2O - Pentahydrite -3.53 -4.81 -1.28 MgSO4:5H2O - Periclase -9.87 11.71 21.58 MgO + Pentahydrite -3.54 -4.82 -1.28 MgSO4:5H2O + Periclase -9.88 11.70 21.58 MgO Picromerite -8.26 -12.59 -4.33 K2Mg(SO4)2:6H2O Pirssonite -6.48 -15.39 -8.91 Na2Ca(CO3)2:2H2O - Polyhalite -7.97 -21.71 -13.74 K2MgCa2(SO4)4:2H2O + Polyhalite -7.98 -21.72 -13.74 K2MgCa2(SO4)4:2H2O Portlandite -10.95 11.86 22.81 Ca(OH)2 - Pyrite -0.00 -58.78 -58.78 FeS2 - Pyrrhotite -1.93 -13.11 -11.18 Fe0.87S + Pyrite 0.00 -16.82 -16.82 FeS2 + Pyrrhotite -2.73 -8.05 -5.32 Fe0.87S Quartz 0.00 -3.74 -3.74 SiO2 - S(cr) -6.26 -51.39 -45.13 S - Si(cr) -84.02 65.15 149.17 Si - Siderite 0.00 -10.80 -10.80 Fe(CO3) + S(cr) -6.75 -8.89 -2.14 S + Schwertmannite(cr) -17.40 -8.68 8.72 Fe8O8(OH)6SO4 + Si(cr) -84.35 -21.16 63.19 Si + Siderite 0.00 -10.68 -10.68 Fe(CO3) SiO2(am) -1.03 -3.74 -2.71 SiO2 - SO2(g) -19.68 -28.62 -8.94 SO2 - Sr(cr) -97.49 44.29 141.78 Sr + SO2(g) -19.85 -28.79 -8.94 SO2 + Sr(cr) -97.66 1.13 98.79 Sr Sr(OH)2(s) -17.68 9.83 27.51 Sr(OH)2 Sr(OH)2:8H2O(s) -14.59 9.73 24.32 Sr(OH)2:8H2O Sr2SiO4(s) -27.31 15.94 43.25 Sr2SiO4 - SrCl2(s) -12.90 -4.78 8.12 SrCl2 - SrCl2:2H2O(s) -8.27 -4.80 3.47 SrCl2:2H2O - SrCl2:6H2O(s) -6.46 -4.85 1.61 SrCl2:6H2O - SrCl2:H2O(s) -9.70 -4.79 4.91 SrCl2:H2O + SrCl2(s) -12.91 -4.79 8.12 SrCl2 + SrCl2:2H2O(s) -8.28 -4.81 3.47 SrCl2:2H2O + SrCl2:6H2O(s) -6.47 -4.86 1.61 SrCl2:6H2O + SrCl2:H2O(s) -9.71 -4.80 4.91 SrCl2:H2O SrO(cr) -32.14 9.84 41.98 SrO - SrS(s) -21.78 -7.10 14.68 SrS + SrS(s) -22.44 -7.76 14.68 SrS SrSiO3(s) -7.06 6.10 13.16 SrSiO3 Strontianite -1.24 -10.51 -9.27 Sr(CO3) Sylvite -3.84 -2.97 0.87 KCl - Syngenite -4.98 -12.43 -7.45 K2Ca(SO4)2:6H2O - Tachyhydrite -26.09 -8.71 17.38 Mg2CaCl6:12H2O - Talc -4.77 20.17 24.94 Mg3Si4O10(OH)2 + Syngenite -4.97 -12.42 -7.45 K2Ca(SO4)2:6H2O + Tachyhydrite -26.12 -8.74 17.38 Mg2CaCl6:12H2O + Talc -4.78 20.14 24.92 Mg3Si4O10(OH)2 + Thenardite -2.63 -2.99 -0.36 Na2SO4 Thermonatrite -7.38 -6.90 0.48 Na2(CO3):H2O - Thernardite -2.63 -2.99 -0.36 Na2SO4 Tobermorite-11A -28.72 36.86 65.58 Ca5Si6O16.5(OH):5H2O Tobermorite-14A -26.14 36.80 62.94 Ca5Si6O16.5(OH):10H2O - Troilite -2.08 -7.39 -5.31 FeS - Trona -9.16 -20.54 -11.38 Na3H(CO3)2:2H2O + Troilite -3.94 -7.93 -3.99 FeS + Trona -9.15 -20.53 -11.38 Na3H(CO3)2:2H2O Truscottite -38.88 38.20 77.08 Ca7Si12O29(OH)4:H2O Vaterite -0.58 -8.48 -7.90 CaCO3 Xonotlite -42.55 48.79 91.34 Ca6Si6O17(OH)2 @@ -3323,393 +3204,378 @@ Reaction 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.000e+00 9.899e-01 -1.006e-02 -Celestite -0.00 -6.62 -6.62 1.000e+00 1.000e+00 6.640e-05 -Dolomite 0.00 -17.12 -17.12 1.000e+00 1.005e+00 5.163e-03 -Gypsum 0.00 -4.61 -4.61 0.000e+00 1.383e-02 1.383e-02 -Pyrite 0.00 -58.78 -58.78 1.000e+00 1.000e+00 2.590e-11 +Calcite 0.00 -8.48 -8.48 1.000e+00 9.901e-01 -9.853e-03 +Celestite 0.00 -6.62 -6.62 1.000e+00 1.000e+00 6.733e-05 +Dolomite 0.00 -17.13 -17.13 1.000e+00 1.005e+00 5.096e-03 +Gypsum 0.00 -4.61 -4.61 0.000e+00 1.373e-02 1.373e-02 +Pyrite 0.00 -16.82 -16.82 1.000e+00 1.000e+00 1.518e-10 Quartz 0.00 -3.74 -3.74 1.000e+00 1.000e+00 7.919e-05 -Siderite 0.00 -10.80 -10.80 1.000e+00 9.998e-01 -2.158e-04 +Siderite 0.00 -10.68 -10.68 1.000e+00 9.997e-01 -2.913e-04 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 2.568e-03 1.457e-03 - Ca 3.763e-02 2.134e-02 - Cl 8.811e-01 4.997e-01 - Fe 3.805e-04 2.158e-04 + C 2.570e-03 1.458e-03 + Ca 3.738e-02 2.120e-02 + Cl 8.786e-01 4.983e-01 + Fe 5.137e-04 2.913e-04 K 3.522e-03 1.998e-03 - Mg 3.265e-02 1.852e-02 + Mg 3.167e-02 1.796e-02 Na 8.217e-01 4.660e-01 - S 4.204e-02 2.384e-02 - Si 1.719e-04 9.747e-05 - Sr 5.359e-04 3.039e-04 + S 4.221e-02 2.394e-02 + Si 1.719e-04 9.749e-05 + Sr 5.317e-04 3.015e-04 ----------------------------Description of solution---------------------------- - pH = 7.006 Charge balance - pe = -2.723 Adjusted to redox equilibrium + pH = 7.008 Charge balance + pe = -2.642 Adjusted to redox equilibrium Activity of water = 0.970 - Ionic strength (mol/kgw) = 1.027e+00 - Mass of water (kg) = 5.672e-01 - Total alkalinity (eq/kg) = 2.350e-03 - Total CO2 (mol/kg) = 2.568e-03 + Ionic strength (mol/kgw) = 1.024e+00 + Mass of water (kg) = 5.671e-01 + Total alkalinity (eq/kg) = 2.348e-03 + Total CO2 (mol/kg) = 2.570e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 7.517e-10 + Electrical balance (eq) = 8.531e-10 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 31 + Iterations = 28 Gamma iterations = 8 - Osmotic coefficient = 0.92646 - Total H = 6.296660e+01 - Total O = 3.158243e+01 + Osmotic coefficient = 0.92640 + Total H = 6.296454e+01 + Total O = 3.158181e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - OH- 1.464e-07 9.846e-08 -6.834 -7.007 -0.172 (0) - H+ 1.242e-07 9.855e-08 -6.906 -7.006 -0.101 0.00 - H2O 5.551e+01 9.703e-01 1.744 -0.013 0.000 18.07 -C(-4) 4.593e-17 - CH4 4.593e-17 4.593e-17 -16.338 -16.338 0.000 (0) -C(4) 2.568e-03 - HCO3- 1.737e-03 1.083e-03 -2.760 -2.965 -0.205 (0) - Na(HCO3) 3.283e-04 3.283e-04 -3.484 -3.484 0.000 (0) - CO2 2.463e-04 2.463e-04 -3.609 -3.609 0.000 (0) - Ca(HCO3)+ 1.409e-04 8.784e-05 -3.851 -4.056 -0.205 (0) - Mg(HCO3)+ 8.486e-05 5.292e-05 -4.071 -4.276 -0.205 (0) - Na(CO3)- 8.274e-06 5.160e-06 -5.082 -5.287 -0.205 (0) - Fe(CO3) 7.763e-06 7.763e-06 -5.110 -5.110 0.000 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - CO3-2 3.955e-06 5.142e-07 -5.403 -6.289 -0.886 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Sr(HCO3)+ 1.558e-06 9.717e-07 -5.807 -6.012 -0.205 (0) - FeHCO3+ 1.475e-06 9.197e-07 -5.831 -6.036 -0.205 (0) - FeCO3OH- 2.336e-08 1.456e-08 -7.632 -7.837 -0.205 (0) + OH- 1.468e-07 9.875e-08 -6.833 -7.005 -0.172 (0) + H+ 1.239e-07 9.827e-08 -6.907 -7.008 -0.101 0.00 + H2O 5.551e+01 9.704e-01 1.744 -0.013 0.000 18.07 +C(-4) 5.560e-18 + CH4 5.560e-18 5.560e-18 -17.255 -17.255 0.000 (0) + CH3- 0.000e+00 0.000e+00 -56.042 -56.247 -0.205 (0) +C(4) 2.570e-03 + HCO3- 1.745e-03 1.088e-03 -2.758 -2.963 -0.205 (0) + Na(HCO3) 3.299e-04 3.299e-04 -3.482 -3.482 0.000 (0) + CO2 2.468e-04 2.468e-04 -3.608 -3.608 0.000 (0) + Ca(HCO3)+ 1.404e-04 8.759e-05 -3.853 -4.058 -0.205 (0) + Mg(HCO3)+ 8.268e-05 5.157e-05 -4.083 -4.288 -0.205 (0) + Na(CO3)- 8.335e-06 5.199e-06 -5.079 -5.284 -0.205 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + CO3-2 3.981e-06 5.180e-07 -5.400 -6.286 -0.886 (0) + FeCO3 3.890e-06 3.890e-06 -5.410 -5.410 0.000 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Sr(HCO3)+ 1.554e-06 9.690e-07 -5.809 -6.014 -0.205 (0) Sr(CO3) 1.967e-08 1.967e-08 -7.706 -7.706 0.000 (0) - FeCO3OH 1.660e-09 1.660e-09 -8.780 -8.780 0.000 (0) - Fe(CO3)2-2 1.519e-09 2.297e-10 -8.819 -9.639 -0.820 (0) - Fe(CO3)3-3 9.437e-14 1.346e-15 -13.025 -14.871 -1.846 (0) - CO 5.728e-18 5.728e-18 -17.242 -17.242 0.000 (0) -Ca 3.763e-02 - Ca+2 3.216e-02 6.441e-03 -1.493 -2.191 -0.698 (0) - Ca(SO4) 5.323e-03 5.323e-03 -2.274 -2.274 0.000 (0) - Ca(HCO3)+ 1.409e-04 8.784e-05 -3.851 -4.056 -0.205 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - Ca(H3SiO4)+ 2.656e-08 1.656e-08 -7.576 -7.781 -0.205 (0) - Ca(OH)+ 1.688e-08 1.053e-08 -7.773 -7.978 -0.205 (0) - Ca(S2O3) 1.864e-15 1.864e-15 -14.730 -14.730 0.000 (0) -Cl 8.811e-01 - Cl- 8.713e-01 5.862e-01 -0.060 -0.232 -0.172 (0) - MgCl+ 9.376e-03 5.847e-03 -2.028 -2.233 -0.205 (0) - FeCl3- 1.043e-04 6.502e-05 -3.982 -4.187 -0.205 (0) - SrCl+ 9.461e-05 5.900e-05 -4.024 -4.229 -0.205 (0) - FeCl+ 4.000e-05 2.494e-05 -4.398 -4.603 -0.205 (0) - FeCl2 3.199e-06 3.199e-06 -5.495 -5.495 0.000 (0) - HCl 1.126e-08 1.126e-08 -7.948 -7.948 0.000 (0) - FeCl+2 5.548e-19 8.391e-20 -18.256 -19.076 -0.820 (0) - FeCl2+ 3.953e-19 2.465e-19 -18.403 -18.608 -0.205 (0) - FeCl3 1.548e-20 1.548e-20 -19.810 -19.810 0.000 (0) - FeCl4- 1.750e-22 1.091e-22 -21.757 -21.962 -0.205 (0) - Cl2 0.000e+00 0.000e+00 -53.120 -53.120 0.000 (0) - ClO4- 0.000e+00 0.000e+00 -153.927 -154.109 -0.182 (0) -Fe(2) 3.805e-04 - Fe+2 2.038e-04 3.083e-05 -3.691 -4.511 -0.820 (0) - FeCl3- 1.043e-04 6.502e-05 -3.982 -4.187 -0.205 (0) - FeCl+ 4.000e-05 2.494e-05 -4.398 -4.603 -0.205 (0) - Fe(SO4) 1.978e-05 1.978e-05 -4.704 -4.704 0.000 (0) - Fe(CO3) 7.763e-06 7.763e-06 -5.110 -5.110 0.000 (0) - FeCl2 3.199e-06 3.199e-06 -5.495 -5.495 0.000 (0) - FeHCO3+ 1.475e-06 9.197e-07 -5.831 -6.036 -0.205 (0) - Fe(OH)+ 1.539e-07 9.599e-08 -6.813 -7.018 -0.205 (0) - FeCO3OH- 2.336e-08 1.456e-08 -7.632 -7.837 -0.205 (0) - Fe(CO3)2-2 1.519e-09 2.297e-10 -8.819 -9.639 -0.820 (0) - Fe(HS)+ 1.292e-10 8.060e-11 -9.889 -10.094 -0.205 (0) - Fe(HSO4)+ 2.317e-11 1.445e-11 -10.635 -10.840 -0.205 (0) - Fe(OH)2 7.508e-12 7.508e-12 -11.124 -11.124 0.000 (0) - Fe(OH)3- 5.941e-16 3.705e-16 -15.226 -15.431 -0.205 (0) - Fe(HS)2 1.241e-18 1.241e-18 -17.906 -17.906 0.000 (0) - Fe(OH)4-2 1.916e-22 2.898e-23 -21.718 -22.538 -0.820 (0) -Fe(3) 1.664e-09 - FeCO3OH 1.660e-09 1.660e-09 -8.780 -8.780 0.000 (0) - Fe(OH)2+ 1.894e-12 1.181e-12 -11.723 -11.928 -0.205 (0) - Fe(OH)3 1.498e-12 1.498e-12 -11.824 -11.824 0.000 (0) - Fe(CO3)3-3 9.437e-14 1.346e-15 -13.025 -14.871 -1.846 (0) - Fe(OH)4- 2.158e-14 1.345e-14 -13.666 -13.871 -0.205 (0) - Fe(OH)+2 1.649e-15 3.623e-16 -14.783 -15.441 -0.658 (0) - Fe(H3SiO4)+2 1.501e-16 2.270e-17 -15.824 -16.644 -0.820 (0) - FeCl+2 5.548e-19 8.391e-20 -18.256 -19.076 -0.820 (0) - Fe(SO4)+ 4.656e-19 2.904e-19 -18.332 -18.537 -0.205 (0) - Fe+3 3.995e-19 5.698e-21 -18.398 -20.244 -1.846 (0) - FeCl2+ 3.953e-19 2.465e-19 -18.403 -18.608 -0.205 (0) - Fe(SO4)2- 3.760e-20 2.345e-20 -19.425 -19.630 -0.205 (0) - FeCl3 1.548e-20 1.548e-20 -19.810 -19.810 0.000 (0) - FeCl4- 1.750e-22 1.091e-22 -21.757 -21.962 -0.205 (0) - FeHSO4+2 4.435e-25 6.708e-26 -24.353 -25.173 -0.820 (0) - Fe2(OH)2+4 6.752e-27 3.532e-30 -26.171 -29.452 -3.281 (0) - FeS2O3+ 2.644e-31 1.649e-31 -30.578 -30.783 -0.205 (0) - Fe3(OH)4+5 1.168e-34 8.717e-40 -33.932 -39.060 -5.127 (0) -H(0) 4.516e-12 - H2 2.258e-12 2.258e-12 -11.646 -11.646 0.000 (0) + Fe(OH)CO3 2.101e-09 2.101e-09 -8.678 -8.678 0.000 (0) + Fe(CO3)2-2 7.840e-10 1.187e-10 -9.106 -9.926 -0.820 (0) + Fe(CO3)3-3 7.970e-14 1.139e-15 -13.099 -14.943 -1.845 (0) + CO 3.931e-18 3.931e-18 -17.405 -17.405 0.000 (0) +Ca 3.738e-02 + Ca+2 3.191e-02 6.392e-03 -1.496 -2.194 -0.698 (0) + Ca(SO4) 5.322e-03 5.322e-03 -2.274 -2.274 0.000 (0) + Ca(HCO3)+ 1.404e-04 8.759e-05 -3.853 -4.058 -0.205 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + Ca(H3SiO4)+ 2.643e-08 1.649e-08 -7.578 -7.783 -0.205 (0) + Ca(OH)+ 1.679e-08 1.048e-08 -7.775 -7.980 -0.205 (0) + Ca(S2O3) 1.184e-16 1.184e-16 -15.927 -15.927 0.000 (0) +Cl 8.786e-01 + Cl- 8.692e-01 5.848e-01 -0.061 -0.233 -0.172 (0) + MgCl+ 9.070e-03 5.658e-03 -2.042 -2.247 -0.205 (0) + FeCl+ 2.745e-04 2.358e-04 -3.561 -3.627 -0.066 (0) + SrCl+ 9.366e-05 5.842e-05 -4.028 -4.233 -0.205 (0) + FeCl2+ 7.455e-19 4.650e-19 -18.128 -18.333 -0.205 (0) + FeCl+2 2.912e-19 1.587e-19 -18.536 -18.800 -0.264 (0) + FeCl3 1.716e-20 1.716e-20 -19.766 -19.766 0.000 (0) + FeCl4- 1.609e-22 1.003e-22 -21.794 -21.999 -0.205 (0) + Cl2 0.000e+00 0.000e+00 -52.960 -52.960 0.000 (0) + ClO4- 0.000e+00 0.000e+00 -152.970 -153.152 -0.182 (0) +Fe(2) 5.137e-04 + FeCl+ 2.745e-04 2.358e-04 -3.561 -3.627 -0.066 (0) + Fe+2 1.896e-04 4.033e-05 -3.722 -4.394 -0.672 (0) + Fe(SO4) 4.530e-05 4.530e-05 -4.344 -4.344 0.000 (0) + FeCO3 3.890e-06 3.890e-06 -5.410 -5.410 0.000 (0) + Fe(OH)+ 3.590e-07 2.239e-07 -6.445 -6.650 -0.205 (0) + Fe(CO3)2-2 7.840e-10 1.187e-10 -9.106 -9.926 -0.820 (0) + Fe(HS)+ 3.736e-11 2.330e-11 -10.428 -10.633 -0.205 (0) + Fe(OH)2 5.684e-12 5.684e-12 -11.245 -11.245 0.000 (0) + Fe(OH)3- 8.999e-18 5.613e-18 -17.046 -17.251 -0.205 (0) + Fe(HS)2 7.928e-20 7.928e-20 -19.101 -19.101 0.000 (0) + Fe(OH)4-2 1.212e-22 1.835e-23 -21.916 -22.736 -0.820 (0) +Fe(3) 2.123e-09 + Fe(OH)CO3 2.101e-09 2.101e-09 -8.678 -8.678 0.000 (0) + Fe(OH)2+ 2.030e-11 1.266e-11 -10.692 -10.897 -0.205 (0) + Fe(OH)3 2.173e-12 2.173e-12 -11.663 -11.663 0.000 (0) + Fe(CO3)3-3 7.970e-14 1.139e-15 -13.099 -14.943 -1.845 (0) + Fe(OH)4- 3.137e-14 1.957e-14 -13.503 -13.708 -0.205 (0) + Fe(OH)+2 2.608e-15 5.728e-16 -14.584 -15.242 -0.658 (0) + Fe(H3SiO4)+2 2.162e-16 3.273e-17 -15.665 -16.485 -0.820 (0) + Fe(SO4)+ 9.526e-19 5.942e-19 -18.021 -18.226 -0.205 (0) + FeCl2+ 7.455e-19 4.650e-19 -18.128 -18.333 -0.205 (0) + Fe(SO4)2- 3.626e-19 2.262e-19 -18.441 -18.646 -0.205 (0) + FeCl+2 2.912e-19 1.587e-19 -18.536 -18.800 -0.264 (0) + Fe+3 1.253e-19 8.194e-21 -18.902 -20.087 -1.184 (0) + FeCl3 1.716e-20 1.716e-20 -19.766 -19.766 0.000 (0) + FeCl4- 1.609e-22 1.003e-22 -21.794 -21.999 -0.205 (0) + Fe2(OH)2+4 1.887e-26 9.908e-30 -25.724 -29.004 -3.280 (0) + FeS2O3+ 8.634e-32 5.385e-32 -31.064 -31.269 -0.205 (0) + Fe3(OH)4+5 3.494e-34 2.621e-39 -33.457 -38.581 -5.125 (0) +H(0) 3.092e-12 + H2 1.546e-12 1.546e-12 -11.811 -11.811 0.000 (0) K 3.522e-03 - K+ 3.522e-03 2.196e-03 -2.453 -2.658 -0.205 (0) -Mg 3.265e-02 - Mg+2 2.012e-02 4.455e-03 -1.696 -2.351 -0.655 (0) - MgCl+ 9.376e-03 5.847e-03 -2.028 -2.233 -0.205 (0) - Mg(SO4) 3.063e-03 3.063e-03 -2.514 -2.514 0.000 (0) - Mg(HCO3)+ 8.486e-05 5.292e-05 -4.071 -4.276 -0.205 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Mg(OH)+ 1.470e-07 9.165e-08 -6.833 -7.038 -0.205 (0) - Mg(H3SiO4)+ 3.267e-08 2.037e-08 -7.486 -7.691 -0.205 (0) - Mg(S2O3) 1.072e-15 1.072e-15 -14.970 -14.970 0.000 (0) - Mg4(OH)4+4 1.259e-18 6.587e-22 -17.900 -21.181 -3.281 (0) + K+ 3.522e-03 2.197e-03 -2.453 -2.658 -0.205 (0) +Mg 3.167e-02 + Mg+2 1.952e-02 4.322e-03 -1.710 -2.364 -0.655 (0) + MgCl+ 9.070e-03 5.658e-03 -2.042 -2.247 -0.205 (0) + Mg(SO4) 2.993e-03 2.993e-03 -2.524 -2.524 0.000 (0) + Mg(HCO3)+ 8.268e-05 5.157e-05 -4.083 -4.288 -0.205 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Mg(OH)+ 1.429e-07 8.916e-08 -6.845 -7.050 -0.205 (0) + Mg(H3SiO4)+ 3.178e-08 1.982e-08 -7.498 -7.703 -0.205 (0) + Mg(S2O3) 2.362e-16 2.362e-16 -15.627 -15.627 0.000 (0) + Mg4(OH)4+4 1.123e-18 5.897e-22 -17.950 -21.229 -3.280 (0) Na 8.217e-01 Na+ 8.213e-01 5.389e-01 -0.085 -0.268 -0.183 (0) - Na(HCO3) 3.283e-04 3.283e-04 -3.484 -3.484 0.000 (0) - Na(CO3)- 8.274e-06 5.160e-06 -5.082 -5.287 -0.205 (0) - Na(S2O3)- 1.282e-14 7.998e-15 -13.892 -14.097 -0.205 (0) -O(0) -5.727e-18 - CO 5.728e-18 5.728e-18 -17.242 -17.242 0.000 (0) - S2-2 1.003e-21 1.517e-22 -20.999 -21.819 -0.820 (0) - S3-2 4.668e-26 7.059e-27 -25.331 -26.151 -0.820 (0) - S4-2 1.723e-31 2.606e-32 -30.764 -31.584 -0.820 (0) - S4O6-2 4.969e-35 7.515e-36 -34.304 -35.124 -0.820 (0) - S5-2 3.837e-37 5.803e-38 -36.416 -37.236 -0.820 (0) - S3O6-2 0.000e+00 0.000e+00 -42.611 -43.431 -0.820 (0) - Cl2 0.000e+00 0.000e+00 -53.120 -53.120 0.000 (0) - S5O6-2 0.000e+00 0.000e+00 -55.396 -56.217 -0.820 (0) - HSO5- 0.000e+00 0.000e+00 -60.851 -61.056 -0.205 (0) - O2 0.000e+00 0.000e+00 -68.873 -68.873 0.000 (0) - S2O8-2 0.000e+00 0.000e+00 -74.791 -75.612 -0.820 (0) - ClO4- 0.000e+00 0.000e+00 -153.927 -154.109 -0.182 (0) -S(-2) 4.360e-10 - HS- 1.916e-10 1.195e-10 -9.717 -9.923 -0.205 (0) - Fe(HS)+ 1.292e-10 8.060e-11 -9.889 -10.094 -0.205 (0) - H2S 1.151e-10 1.151e-10 -9.939 -9.939 0.000 (0) - Fe(HS)2 1.241e-18 1.241e-18 -17.906 -17.906 0.000 (0) - S-2 6.370e-20 9.633e-21 -19.196 -20.016 -0.820 (0) - S2-2 1.003e-21 1.517e-22 -20.999 -21.819 -0.820 (0) - S3-2 4.668e-26 7.059e-27 -25.331 -26.151 -0.820 (0) - S4-2 1.723e-31 2.606e-32 -30.764 -31.584 -0.820 (0) - S5-2 3.837e-37 5.803e-38 -36.416 -37.236 -0.820 (0) -S(2) 7.974e-14 - S2O3-2 2.409e-14 3.643e-15 -13.618 -14.439 -0.820 (0) - Na(S2O3)- 1.282e-14 7.998e-15 -13.892 -14.097 -0.205 (0) - Ca(S2O3) 1.864e-15 1.864e-15 -14.730 -14.730 0.000 (0) - Mg(S2O3) 1.072e-15 1.072e-15 -14.970 -14.970 0.000 (0) - Sr(S2O3) 2.367e-17 2.367e-17 -16.626 -16.626 0.000 (0) - H(S2O3)- 3.021e-20 1.884e-20 -19.520 -19.725 -0.205 (0) - H2(S2O3) 7.391e-27 7.391e-27 -26.131 -26.131 0.000 (0) - FeS2O3+ 2.644e-31 1.649e-31 -30.578 -30.783 -0.205 (0) -S(3) 2.378e-33 - S2O4-2 1.189e-33 1.798e-34 -32.925 -33.745 -0.820 (0) - HS2O4- 8.987e-39 5.604e-39 -38.046 -38.251 -0.205 (0) - H2S2O4 0.000e+00 0.000e+00 -44.958 -44.958 0.000 (0) -S(4) 2.723e-14 - SO3-2 2.088e-14 2.715e-15 -13.680 -14.566 -0.886 (0) - H(SO3)- 6.345e-15 3.957e-15 -14.198 -14.403 -0.205 (0) - SO2 2.911e-20 2.911e-20 -19.536 -19.536 0.000 (0) - H2(SO3) 2.825e-20 2.825e-20 -19.549 -19.549 0.000 (0) - S2O5-2 3.453e-30 5.222e-31 -29.462 -30.282 -0.820 (0) - S4O6-2 4.969e-35 7.515e-36 -34.304 -35.124 -0.820 (0) - S3O6-2 0.000e+00 0.000e+00 -42.611 -43.431 -0.820 (0) - S5O6-2 0.000e+00 0.000e+00 -55.396 -56.217 -0.820 (0) -S(6) 4.204e-02 - SO4-2 3.358e-02 4.048e-03 -1.474 -2.393 -0.919 (0) - Ca(SO4) 5.323e-03 5.323e-03 -2.274 -2.274 0.000 (0) - Mg(SO4) 3.063e-03 3.063e-03 -2.514 -2.514 0.000 (0) + Na(HCO3) 3.299e-04 3.299e-04 -3.482 -3.482 0.000 (0) + Na(CO3)- 8.335e-06 5.199e-06 -5.079 -5.284 -0.205 (0) + Na(S2O3)- 2.912e-15 1.817e-15 -14.536 -14.741 -0.205 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -68.554 -68.554 0.000 (0) +S(-2) 1.051e-10 + HS- 4.234e-11 2.641e-11 -10.373 -10.578 -0.205 (0) + Fe(HS)+ 3.736e-11 2.330e-11 -10.428 -10.633 -0.205 (0) + H2S 2.536e-11 2.536e-11 -10.596 -10.596 0.000 (0) + Fe(HS)2 7.928e-20 7.928e-20 -19.101 -19.101 0.000 (0) + S-2 1.410e-20 2.135e-21 -19.851 -20.671 -0.820 (0) + S2-2 7.150e-23 1.082e-23 -22.146 -22.966 -0.820 (0) + S3-2 1.070e-27 1.620e-28 -26.971 -27.791 -0.820 (0) + S4-2 1.272e-33 1.925e-34 -32.896 -33.716 -0.820 (0) + S5-2 9.108e-40 1.379e-40 -39.041 -39.861 -0.820 (0) +S(2) 1.748e-14 + S2O3-2 5.466e-15 8.274e-16 -14.262 -15.082 -0.820 (0) + Na(S2O3)- 2.912e-15 1.817e-15 -14.536 -14.741 -0.205 (0) + Mg(S2O3) 2.362e-16 2.362e-16 -15.627 -15.627 0.000 (0) + Ca(S2O3) 1.184e-16 1.184e-16 -15.927 -15.927 0.000 (0) + Sr(S2O3) 5.337e-18 5.337e-18 -17.273 -17.273 0.000 (0) + H(S2O3)- 6.841e-21 4.267e-21 -20.165 -20.370 -0.205 (0) + H2(S2O3) 1.670e-27 1.670e-27 -26.777 -26.777 0.000 (0) + FeS2O3+ 8.634e-32 5.385e-32 -31.064 -31.269 -0.205 (0) +S(3) 7.700e-34 + S2O4-2 3.850e-34 5.828e-35 -33.415 -34.235 -0.820 (0) + HS2O4- 2.904e-39 1.811e-39 -38.537 -38.742 -0.205 (0) + H2S2O4 0.000e+00 0.000e+00 -45.450 -45.450 0.000 (0) +S(4) 1.877e-14 + SO3-2 1.440e-14 1.874e-15 -13.842 -14.727 -0.886 (0) + H(SO3)- 4.366e-15 2.723e-15 -14.360 -14.565 -0.205 (0) + SO2 1.998e-20 1.998e-20 -19.699 -19.699 0.000 (0) + H2(SO3) 1.939e-20 1.939e-20 -19.712 -19.712 0.000 (0) + S2O5-2 1.634e-30 2.473e-31 -29.787 -30.607 -0.820 (0) + S4O6-2 3.557e-36 5.384e-37 -35.449 -36.269 -0.820 (0) + S3O6-2 0.000e+00 0.000e+00 -43.264 -44.084 -0.820 (0) + S5O6-2 0.000e+00 0.000e+00 -57.024 -57.844 -0.820 (0) +S(6) 4.221e-02 + SO4-2 3.380e-02 4.078e-03 -1.471 -2.390 -0.919 (0) + Ca(SO4) 5.322e-03 5.322e-03 -2.274 -2.274 0.000 (0) + Mg(SO4) 2.993e-03 2.993e-03 -2.524 -2.524 0.000 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - Fe(SO4) 1.978e-05 1.978e-05 -4.704 -4.704 0.000 (0) - H(SO4)- 6.225e-08 3.809e-08 -7.206 -7.419 -0.213 (0) - Fe(HSO4)+ 2.317e-11 1.445e-11 -10.635 -10.840 -0.205 (0) - Fe(SO4)+ 4.656e-19 2.904e-19 -18.332 -18.537 -0.205 (0) - Fe(SO4)2- 3.760e-20 2.345e-20 -19.425 -19.630 -0.205 (0) - FeHSO4+2 4.435e-25 6.708e-26 -24.353 -25.173 -0.820 (0) - HSO5- 0.000e+00 0.000e+00 -60.851 -61.056 -0.205 (0) - S2O8-2 0.000e+00 0.000e+00 -74.791 -75.612 -0.820 (0) + Fe(SO4) 4.530e-05 4.530e-05 -4.344 -4.344 0.000 (0) + H(SO4)- 6.253e-08 3.827e-08 -7.204 -7.417 -0.213 (0) + Fe(SO4)+ 9.526e-19 5.942e-19 -18.021 -18.226 -0.205 (0) + Fe(SO4)2- 3.626e-19 2.262e-19 -18.441 -18.646 -0.205 (0) + HSO5- 0.000e+00 0.000e+00 -60.684 -60.889 -0.205 (0) + S2O8-2 0.000e+00 0.000e+00 -74.623 -75.443 -0.820 (0) Si 1.719e-04 - H4(SiO4) 1.713e-04 1.713e-04 -3.766 -3.766 0.000 (0) - H3(SiO4)- 4.688e-07 2.513e-07 -6.329 -6.600 -0.271 (0) - Mg(H3SiO4)+ 3.267e-08 2.037e-08 -7.486 -7.691 -0.205 (0) - Ca(H3SiO4)+ 2.656e-08 1.656e-08 -7.576 -7.781 -0.205 (0) - Si2O2(OH)5- 1.811e-09 9.708e-10 -8.742 -9.013 -0.271 (0) - Si2O3(OH)4-2 1.089e-12 1.240e-13 -11.963 -12.907 -0.944 (0) - H2(SiO4)-2 1.021e-12 1.278e-13 -11.991 -12.893 -0.902 (0) - Si4O6(OH)6-2 1.662e-16 2.514e-17 -15.779 -16.600 -0.820 (0) - Fe(H3SiO4)+2 1.501e-16 2.270e-17 -15.824 -16.644 -0.820 (0) - Si3O6(OH)3-3 3.243e-18 2.883e-20 -17.489 -19.540 -2.051 (0) - Si3O5(OH)5-3 2.500e-18 2.222e-20 -17.602 -19.653 -2.051 (0) - Si4O8(OH)4-4 2.033e-23 6.503e-27 -22.692 -26.187 -3.495 (0) - Si4O7(OH)6-4 1.519e-23 7.944e-27 -22.819 -26.100 -3.281 (0) - Si6O15-6 1.387e-35 0.000e+00 -34.858 -42.241 -7.383 (0) -Sr 5.359e-04 - Sr+2 3.919e-04 5.926e-05 -3.407 -4.227 -0.820 (0) - SrCl+ 9.461e-05 5.900e-05 -4.024 -4.229 -0.205 (0) + H4(SiO4) 1.714e-04 1.714e-04 -3.766 -3.766 0.000 (0) + H3(SiO4)- 4.701e-07 2.520e-07 -6.328 -6.599 -0.271 (0) + Mg(H3SiO4)+ 3.178e-08 1.982e-08 -7.498 -7.703 -0.205 (0) + Ca(H3SiO4)+ 2.643e-08 1.649e-08 -7.578 -7.783 -0.205 (0) + Si2O2(OH)5- 1.816e-09 9.737e-10 -8.741 -9.012 -0.271 (0) + Si2O3(OH)4-2 1.094e-12 1.247e-13 -11.961 -12.904 -0.943 (0) + H2(SiO4)-2 1.026e-12 1.285e-13 -11.989 -12.891 -0.902 (0) + Fe(H3SiO4)+2 2.162e-16 3.273e-17 -15.665 -16.485 -0.820 (0) + Si4O6(OH)6-2 1.671e-16 2.529e-17 -15.777 -16.597 -0.820 (0) + Si3O6(OH)3-3 3.264e-18 2.908e-20 -17.486 -19.536 -2.050 (0) + Si3O5(OH)5-3 2.516e-18 2.241e-20 -17.599 -19.650 -2.050 (0) + Si4O8(OH)4-4 2.049e-23 6.578e-27 -22.689 -26.182 -3.493 (0) + Si4O7(OH)6-4 1.531e-23 8.036e-27 -22.815 -26.095 -3.280 (0) + Si6O15-6 1.399e-35 0.000e+00 -34.854 -42.234 -7.380 (0) +Sr 5.317e-04 + Sr+2 3.886e-04 5.882e-05 -3.410 -4.230 -0.820 (0) + SrCl+ 9.366e-05 5.842e-05 -4.028 -4.233 -0.205 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - Sr(HCO3)+ 1.558e-06 9.717e-07 -5.807 -6.012 -0.205 (0) + Sr(HCO3)+ 1.554e-06 9.690e-07 -5.809 -6.014 -0.205 (0) Sr(CO3) 1.967e-08 1.967e-08 -7.706 -7.706 0.000 (0) - Sr(OH)+ 4.799e-11 2.993e-11 -10.319 -10.524 -0.205 (0) - Sr(S2O3) 2.367e-17 2.367e-17 -16.626 -16.626 0.000 (0) + Sr(OH)+ 4.776e-11 2.979e-11 -10.321 -10.526 -0.205 (0) + Sr(S2O3) 5.337e-18 5.337e-18 -17.273 -17.273 0.000 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - Acmite -0.91 0.01 0.92 NaFeSi2O6 - Afwillite -21.51 27.91 49.42 Ca3Si2O4(OH)6 + Acmite -0.72 0.17 0.89 NaFeSi2O6 + Afwillite -21.52 27.90 49.42 Ca3Si2O4(OH)6 Anhydrite -0.14 -4.58 -4.44 Ca(SO4) - Antarcticite -6.67 -2.73 3.94 CaCl2:6H2O - Antigorite -68.60 431.56 500.16 Mg48Si34O85(OH)62 + Antarcticite -6.68 -2.74 3.94 CaCl2:6H2O + Antigorite -68.84 431.05 499.89 Mg48Si34O85(OH)62 Aragonite -0.17 -8.48 -8.31 CaCO3 Arcanite -5.86 -7.71 -1.85 K2SO4 - Artinite -6.85 2.96 9.81 Mg2(CO3)(OH)2:3H2O + Artinite -6.87 2.94 9.81 Mg2(CO3)(OH)2:3H2O Bassanite -0.67 -4.59 -3.92 CaSO4:0.5H2O - Bischofite -7.35 -2.89 4.46 MgCl2:6H2O + Bischofite -7.37 -2.91 4.46 MgCl2:6H2O Bloedite -5.38 -7.73 -2.35 Na2Mg(SO4)2:4H2O - Brucite -5.46 11.64 17.10 Mg(OH)2 - Burkeite -11.92 -12.69 -0.77 Na6(CO3)(SO4)2 - C(cr) -5.25 48.58 53.83 C + Brucite -5.48 11.62 17.10 Mg(OH)2 + Burkeite -11.91 -12.68 -0.77 Na6(CO3)(SO4)2 + C(cr) -5.57 -37.72 -32.15 C C2SH(alpha) -15.68 19.86 35.54 Ca2(HSiO4)(OH) - C3FH6 -35.53 36.86 72.39 Ca3Fe2(OH)12 - C4FH13 -46.58 48.57 95.16 Ca4Fe2(OH)14:6H2O - Ca(s) -93.59 46.25 139.84 Ca - Ca(SO3)(s) -10.26 -16.76 -6.50 Ca(SO3) - Ca2Cl2(OH)2:H2O(s) -17.40 9.13 26.53 Ca2Cl2(OH)2:H2O - Ca2Fe2O5(s) -31.63 25.13 56.76 Ca2Fe2O5 - Ca4Cl2(OH)6:13H2O(s) -36.17 32.56 68.73 Ca4Cl2(OH)6:13H2O - CaCl2:2H2O(cr) -10.63 -2.68 7.95 CaCl2:2H2O + C3FH6 -35.15 37.18 72.33 Ca3Fe2(OH)12 + C4FH13 -46.19 48.89 95.08 Ca4Fe2(OH)14:6H2O + Ca(cr) -93.76 3.09 96.85 Ca + Ca(SO3)(s) -10.42 -16.92 -6.50 Ca(SO3) + Ca2Cl2(OH)2:H2O(s) -17.41 9.12 26.53 Ca2Cl2(OH)2:H2O + Ca2Fe2O5(s) -31.29 25.45 56.74 Ca2Fe2O5 + Ca4Cl2(OH)6:13H2O(s) -36.18 32.55 68.73 Ca4Cl2(OH)6:13H2O + CaCl2:2H2O(cr) -10.64 -2.69 7.95 CaCl2:2H2O CaCl2:4H2O(cr) -8.06 -2.71 5.35 CaCl2:4H2O CaCl2:H2O(s) -10.52 -2.67 7.85 CaCl2:H2O CaCO3:H2O(s) -0.89 -8.49 -7.60 CaCO3:H2O - CaFe2O4(s) -7.92 13.32 21.24 CaFe2O4 + CaFe2O4(s) -7.60 13.64 21.24 CaFe2O4 Calcite 0.00 -8.48 -8.48 CaCO3 - CaMg3(CO3)4(s) -3.59 -34.40 -30.81 CaMg3(CO3)4 + CaMg3(CO3)4(s) -3.62 -34.43 -30.81 CaMg3(CO3)4 CaO(cr) -20.89 11.81 32.70 CaO - Carnallite -10.11 -5.78 4.33 KMgCl3:6H2O - Celestite -0.00 -6.62 -6.62 Sr(SO4) - CH4(g) -13.48 117.43 130.91 CH4 - Cl2(g) -51.89 -48.90 2.99 Cl2 - CO(g) -14.20 14.15 28.35 CO + Carnallite -10.13 -5.80 4.33 KMgCl3:6H2O + Celestite 0.00 -6.62 -6.62 Sr(SO4) + CH4(g) -14.13 -55.18 -41.05 CH4 + Chukanovite -4.06 -1.09 2.97 Fe2(OH)2CO3 + Cl2(g) -51.73 -5.75 45.98 Cl2 + CO(g) -14.37 -29.01 -14.64 CO CO2(g) -2.14 -20.29 -18.15 CO2 Cristobalite -0.58 -3.74 -3.16 SiO2 - Cronstedtite-Th 0.61 16.72 16.11 Fe4SiO5(OH)4 + Cronstedtite-Th 1.17 17.28 16.11 Fe4SiO5(OH)4 CSH0.8 -5.36 5.69 11.05 Ca0.8SiO2.8:1.54H2O CSH1.2 -8.90 10.40 19.30 Ca1.2SiO3.2:2.06H2O CSH1.6 -12.88 15.12 28.00 Ca1.6SiO3.6:2.58H2O - Dolomite 0.00 -17.12 -17.12 CaMg(CO3)2 - Epsonite -2.96 -4.84 -1.88 Mg(SO4):7H2O - Ettringite-Fe -31.78 22.77 54.55 Ca6Fe2(SO4)3(OH)12:26H2O - Fayalite -4.27 15.24 19.51 Fe2(SiO4) - Fe(OH)2(cr) -3.28 9.48 12.76 Fe(OH)2 - Fe(s) -14.92 43.93 58.85 Fe - FeO(s) -3.88 9.49 13.37 FeO - Ferrihydrite(am) -1.80 0.74 2.54 Fe(OH)3 - Ferrosilite -26.96 5.75 32.71 FeSiO3 - Ferryhydrite -0.45 0.74 1.19 Fe(OH)3 - FeS(am) -4.48 -7.43 -2.95 FeS + Dolomite 0.00 -17.13 -17.13 CaMg(CO3)2 + Epsonite -2.97 -4.85 -1.88 Mg(SO4):7H2O + Ettringite-Fe -31.46 23.09 54.55 Ca6Fe2(SO4)3(OH)12:26H2O + Fayalite -4.07 15.48 19.55 Fe2(SiO4) + Fe(alpha,cr) -15.00 0.89 15.89 Fe + Fe(OH)2(cr) -3.19 9.59 12.78 Fe(OH)2 + Fe0.932O(s) -3.96 9.55 13.51 Fe0.932O + Fe3O4(s) -1.16 11.44 12.60 Fe3O4 + FeO(s) -3.78 9.61 13.39 FeO + Ferrihydrite(am) -3.02 0.90 3.92 Fe(OH)3 + Ferrihydrite(cr) -0.32 0.90 1.22 Fe(OH)3 + Ferrihydrite(s) -1.88 0.90 2.78 Fe(OH)3 + Ferrosilite -26.84 5.87 32.71 FeSiO3 + FeS(am) -5.02 -7.97 -2.95 FeS Foshagite -29.97 35.99 65.96 Ca4Si3O9(OH)2:0.5H2O Gaylussite -5.94 -15.37 -9.43 CaNa2(CO3)2:5H2O - Glaserite -18.45 -26.06 -7.61 Na2K6(SO4)4 + Glaserite -18.43 -26.04 -7.61 Na2K6(SO4)4 Glauberite -9.48 -7.51 1.97 Na2Ca(SO4)2 - Goethite 0.36 0.75 0.39 FeOOH - Greenalite -0.81 20.96 21.77 Fe3Si2O5(OH)4 + Goethite 0.74 0.91 0.17 FeOOH + GR-Cl -6.30 35.50 41.80 Fe3Fe(OH)8Cl + GR-CO3 -9.53 45.97 55.50 Fe4Fe2(OH)12CO3:2H2O + GR-SO4 -8.41 49.89 58.30 Fe4Fe2(OH)12SO4 + Greenalite -0.50 21.32 21.82 Fe3Si2O5(OH)4 + Greigite -17.72 -32.75 -15.03 Fe3S4 Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O Gyrolite -9.98 12.36 22.34 Ca2Si3O7.5(OH):2H2O - H2(g) -8.57 34.42 42.99 H2 - H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -8.93 -16.93 -8.00 H2S + H2(g) -8.73 -8.73 0.00 H2 + H2O(g) -1.51 -43.01 -41.50 H2O + H2S(g) -9.59 -17.59 -8.00 H2S Halite -2.09 -0.50 1.59 NaCl HCl(g) -13.53 -7.24 6.29 HCl - Hematite 2.53 1.51 -1.02 Fe2O3 - Hexahydrite -3.18 -4.82 -1.64 Mg(SO4):6H2O + Hematite(cr) 2.66 1.83 -0.83 Fe2O3 + Hematite(s) 1.93 1.83 -0.10 Fe2O3 + Hexahydrite -3.19 -4.83 -1.64 Mg(SO4):6H2O Hillebrandite -17.09 19.86 36.95 Ca2SiO3(OH)2:0.17H2O - Hydrophilite -14.42 -2.65 11.77 CaCl2 + Hydrophilite -14.43 -2.66 11.77 CaCl2 Jaffeite -50.73 63.33 114.06 Ca6(Si2O7)(OH)6 - Jennite -63.64 83.69 147.33 Ca9Si6O16(OH)10:6(H2O) - K(cr) -49.43 21.56 70.99 K - K(OH)(s) -20.27 4.33 24.60 K(OH) - K-carbonate -14.66 -11.63 3.03 K2CO3:1.5H2O - K-trona -16.10 -25.20 -9.10 K2NaH(CO3)2:2H2O - K2CO3(cr) -17.02 -11.61 5.41 K2CO3 - K2O(s) -75.43 8.68 84.11 K2O - Kainite -7.48 -7.67 -0.19 KMgCl(SO4):3H2O + Jennite -63.64 83.69 147.33 Ca9Si6O16(OH)10:6H2O + K(cr) -49.51 -0.02 49.49 K + K(OH)(s) -20.26 4.34 24.60 K(OH) + K-carbonate -14.65 -11.62 3.03 K2CO3:1.5H2O + K-trona -16.09 -25.19 -9.10 K2NaH(CO3)2:2H2O + K2CO3(cr) -17.01 -11.60 5.41 K2CO3 + K2O(s) -75.42 8.69 84.11 K2O + Kainite -7.49 -7.68 -0.19 KMgCl(SO4):3H2O Kalicinite -5.89 -15.95 -10.06 KHCO3 - Lansfordite -3.67 -8.71 -5.04 Mg(CO3):5H2O - Lawrencite -13.86 -4.97 8.89 FeCl2 - Leonhardtite -3.91 -4.80 -0.89 MgSO4:4H2O + Lansfordite -3.68 -8.72 -5.04 Mg(CO3):5H2O + Lawrencite -13.79 -4.86 8.93 FeCl2 + Leonhardtite -3.92 -4.81 -0.89 MgSO4:4H2O Leonite -8.53 -12.51 -3.98 K2Mg(SO4)2:4H2O - Lepidocrocite -0.00 0.75 0.75 FeOOH - Lizardite -5.66 27.44 33.10 Mg3Si2O5(OH)4 - Mackinawite -3.83 -7.43 -3.60 FeS - Maghemite(disord) -1.80 1.51 3.31 Fe2O3 - Maghemite(ord) -2.01 1.51 3.52 Fe2O3 - Magnesite(nat) 0.27 -8.64 -8.91 MgCO3 - Magnesite(syn) -0.54 -8.64 -8.10 Mg(CO3) - Magnetite 0.59 11.00 10.41 Fe3O4 - Melanterite -4.79 -7.00 -2.21 FeSO4:7H2O + Lepidocrocite -0.95 0.91 1.86 FeOOH + Lizardite -5.67 27.41 33.08 Mg3Si2O5(OH)4 + Mackinawite -4.78 -7.97 -3.19 FeS + Maghemite -0.96 1.83 2.79 Fe2O3 + Magnesite(nat) 0.26 -8.65 -8.91 MgCO3 + Magnesite(syn) -0.55 -8.65 -8.10 Mg(CO3) + Magnetite 1.10 11.44 10.34 Fe3O4 + Melanterite -4.60 -6.88 -2.28 FeSO4:7H2O Mercallite -10.66 -12.06 -1.40 KHSO4 - Mg(cr) -76.68 46.09 122.77 Mg - Mg(SO4)(s) -13.84 -4.74 9.10 Mg(SO4) - Mg(SO4):H2O(s) -4.64 -4.76 -0.12 Mg(SO4):H2O - Mg-oxychlorur -10.04 15.99 26.03 Mg2Cl(OH)3:4H2O - Mg5(CO3)4(OH)2:4H2O(s) -12.67 -22.98 -10.31 Mg5(CO3)4(OH)2:4H2O - MgCl2(s) -24.85 -2.82 22.03 MgCl2 - MgCl2:2H2O(s) -15.74 -2.84 12.90 MgCl2:2H2O - MgCl2:4H2O(s) -10.31 -2.87 7.44 MgCl2:4H2O - MgCl2:H2O(s) -19.05 -2.83 16.22 MgCl2:H2O - Minnesotaite -1.44 13.49 14.93 Fe3Si4O10(OH)2 + Mg(cr) -76.86 2.92 79.78 Mg + Mg(SO4)(s) -13.85 -4.75 9.10 Mg(SO4) + Mg(SO4):H2O(s) -4.65 -4.77 -0.12 Mg(SO4):H2O + Mg-oxychlorur -10.06 15.97 26.03 Mg2Cl(OH)3:4H2O + Mg5(CO3)4(OH)2:4H2O(s) -12.72 -23.03 -10.31 Mg5(CO3)4(OH)2:4H2O + MgCl2(s) -24.86 -2.83 22.03 MgCl2 + MgCl2:2H2O(s) -15.76 -2.86 12.90 MgCl2:2H2O + MgCl2:4H2O(s) -10.32 -2.88 7.44 MgCl2:4H2O + MgCl2:H2O(s) -19.06 -2.84 16.22 MgCl2:H2O + Minnesotaite -1.14 13.85 14.99 Fe3Si4O10(OH)2 Mirabilite -1.83 -3.06 -1.23 Na2SO4:10H2O - Monosulfate-Fe -33.85 32.20 66.05 Ca4Fe2(SO4)(OH)12:6H2O - Na(cr) -43.44 23.95 67.38 Na - Na2(CO3)(cr) -7.95 -6.83 1.12 Na2(CO3) - Na2CO3:7H2O(s) -6.46 -6.92 -0.46 Na2CO3:7H2O - Na2O(cr) -54.00 13.46 67.46 Na2O + Monosulfate-Fe -33.53 32.52 66.05 Ca4Fe2(SO4)(OH)12:6H2O + Na(cr) -43.52 2.37 45.89 Na + Na2(CO3)(cr) -7.94 -6.82 1.12 Na2(CO3) + Na2CO3:7H2O(s) -6.45 -6.91 -0.46 Na2CO3:7H2O + Na2O(cr) -53.99 13.47 67.46 Na2O Nahcolite -2.82 -13.56 -10.74 Na(HCO3) - Natron -6.13 -6.96 -0.83 Na2(CO3):10H2O - Nesquehonite -3.58 -8.68 -5.10 Mg(CO3):3H2O - O2(g) -65.97 -68.87 -2.90 O2 + Natron -6.12 -6.95 -0.83 Na2(CO3):10H2O + Nesquehonite -3.59 -8.69 -5.10 Mg(CO3):3H2O + O2(g) -65.65 -68.55 -2.90 O2 Okenite -4.88 4.30 9.18 CaSi2O5:2H2O - Pentahydrite -3.53 -4.81 -1.28 MgSO4:5H2O - Periclase -9.93 11.65 21.58 MgO - Picromerite -8.20 -12.53 -4.33 K2Mg(SO4)2:6H2O + Pentahydrite -3.54 -4.82 -1.28 MgSO4:5H2O + Periclase -9.94 11.64 21.58 MgO + Picromerite -8.21 -12.54 -4.33 K2Mg(SO4)2:6H2O Pirssonite -6.42 -15.33 -8.91 Na2Ca(CO3)2:2H2O Polyhalite -7.91 -21.65 -13.74 K2MgCa2(SO4)4:2H2O - Portlandite -11.01 11.80 22.81 Ca(OH)2 - Pyrite 0.00 -58.78 -58.78 FeS2 - Pyrrhotite -1.96 -13.14 -11.18 Fe0.87S + Portlandite -11.02 11.79 22.81 Ca(OH)2 + Pyrite 0.00 -16.82 -16.82 FeS2 + Pyrrhotite -2.76 -8.08 -5.32 Fe0.87S Quartz 0.00 -3.74 -3.74 SiO2 - S(cr) -6.22 -51.35 -45.13 S - Si(cr) -84.04 65.13 149.17 Si - Siderite 0.00 -10.80 -10.80 Fe(CO3) + S(cr) -6.71 -8.85 -2.14 S + Schwertmannite(cr) -17.82 -9.10 8.72 Fe8O8(OH)6SO4 + Si(cr) -84.37 -21.18 63.19 Si + Siderite 0.00 -10.68 -10.68 Fe(CO3) SiO2(am) -1.03 -3.74 -2.71 SiO2 - SO2(g) -19.63 -28.57 -8.94 SO2 - Sr(cr) -97.57 44.21 141.78 Sr + SO2(g) -19.79 -28.73 -8.94 SO2 + Sr(cr) -97.74 1.05 98.79 Sr Sr(OH)2(s) -17.75 9.76 27.51 Sr(OH)2 Sr(OH)2:8H2O(s) -14.67 9.65 24.32 Sr(OH)2:8H2O Sr2SiO4(s) -27.45 15.80 43.25 Sr2SiO4 - SrCl2(s) -12.81 -4.69 8.12 SrCl2 + SrCl2(s) -12.82 -4.70 8.12 SrCl2 SrCl2:2H2O(s) -8.19 -4.72 3.47 SrCl2:2H2O SrCl2:6H2O(s) -6.38 -4.77 1.61 SrCl2:6H2O - SrCl2:H2O(s) -9.61 -4.70 4.91 SrCl2:H2O + SrCl2:H2O(s) -9.62 -4.71 4.91 SrCl2:H2O SrO(cr) -32.21 9.77 41.98 SrO - SrS(s) -21.82 -7.14 14.68 SrS + SrS(s) -22.48 -7.80 14.68 SrS SrSiO3(s) -7.13 6.03 13.16 SrSiO3 Strontianite -1.25 -10.52 -9.27 Sr(CO3) Sylvite -3.76 -2.89 0.87 KCl Syngenite -4.92 -12.37 -7.45 K2Ca(SO4)2:6H2O - Tachyhydrite -25.82 -8.44 17.38 Mg2CaCl6:12H2O - Talc -4.97 19.97 24.94 Mg3Si4O10(OH)2 + Tachyhydrite -25.86 -8.48 17.38 Mg2CaCl6:12H2O + Talc -4.98 19.94 24.92 Mg3Si4O10(OH)2 + Thenardite -2.57 -2.93 -0.36 Na2SO4 Thermonatrite -7.32 -6.84 0.48 Na2(CO3):H2O - Thernardite -2.57 -2.93 -0.36 Na2SO4 Tobermorite-11A -29.05 36.53 65.58 Ca5Si6O16.5(OH):5H2O - Tobermorite-14A -26.47 36.47 62.94 Ca5Si6O16.5(OH):10H2O - Troilite -2.12 -7.43 -5.31 FeS - Trona -9.04 -20.42 -11.38 Na3H(CO3)2:2H2O - Truscottite -39.34 37.74 77.08 Ca7Si12O29(OH)4:H2O + Tobermorite-14A -26.48 36.46 62.94 Ca5Si6O16.5(OH):10H2O + Troilite -3.98 -7.97 -3.99 FeS + Trona -9.03 -20.41 -11.38 Na3H(CO3)2:2H2O + Truscottite -39.35 37.73 77.08 Ca7Si12O29(OH)4:H2O Vaterite -0.58 -8.48 -7.90 CaCO3 - Xonotlite -42.94 48.40 91.34 Ca6Si6O17(OH)2 + Xonotlite -42.95 48.39 91.34 Ca6Si6O17(OH)2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. @@ -3739,393 +3605,378 @@ Reaction 1. Moles in assemblage Phase SI log IAP log K(T, P) Initial Final Delta -Calcite 0.00 -8.48 -8.48 1.000e+00 9.887e-01 -1.129e-02 -Celestite 0.00 -6.62 -6.62 1.000e+00 1.000e+00 7.377e-05 -Dolomite 0.00 -17.12 -17.12 1.000e+00 1.006e+00 5.786e-03 -Gypsum 0.00 -4.61 -4.61 0.000e+00 1.568e-02 1.568e-02 -Pyrite 0.00 -58.78 -58.78 1.000e+00 1.000e+00 3.223e-11 +Calcite 0.00 -8.48 -8.48 1.000e+00 9.889e-01 -1.107e-02 +Celestite 0.00 -6.62 -6.62 1.000e+00 1.000e+00 7.472e-05 +Dolomite 0.00 -17.13 -17.13 1.000e+00 1.006e+00 5.705e-03 +Gypsum 0.00 -4.61 -4.61 0.000e+00 1.558e-02 1.558e-02 +Pyrite 0.00 -16.82 -16.82 1.000e+00 1.000e+00 1.474e-10 Quartz 0.00 -3.74 -3.74 1.000e+00 1.000e+00 8.907e-05 -Siderite 0.00 -10.80 -10.80 1.000e+00 9.998e-01 -2.291e-04 +Siderite 0.00 -10.68 -10.68 1.000e+00 9.997e-01 -2.845e-04 -----------------------------Solution composition------------------------------ Elements Molality Moles - C 2.818e-03 1.446e-03 - Ca 3.916e-02 2.009e-02 - Cl 9.741e-01 4.997e-01 - Fe 4.465e-04 2.291e-04 - K 3.893e-03 1.998e-03 - Mg 3.488e-02 1.789e-02 + C 2.821e-03 1.447e-03 + Ca 3.889e-02 1.995e-02 + Cl 9.713e-01 4.983e-01 + Fe 5.545e-04 2.845e-04 + K 3.894e-03 1.998e-03 + Mg 3.382e-02 1.735e-02 Na 9.083e-01 4.660e-01 - S 4.285e-02 2.199e-02 - Si 1.707e-04 8.759e-05 - Sr 5.781e-04 2.966e-04 + S 4.304e-02 2.208e-02 + Si 1.708e-04 8.760e-05 + Sr 5.734e-04 2.942e-04 ----------------------------Description of solution---------------------------- - pH = 6.962 Charge balance - pe = -2.673 Adjusted to redox equilibrium + pH = 6.964 Charge balance + pe = -2.592 Adjusted to redox equilibrium Activity of water = 0.967 - Ionic strength (mol/kgw) = 1.123e+00 + Ionic strength (mol/kgw) = 1.120e+00 Mass of water (kg) = 5.130e-01 - Total alkalinity (eq/kg) = 2.557e-03 - Total CO2 (mol/kg) = 2.818e-03 + Total alkalinity (eq/kg) = 2.556e-03 + Total CO2 (mol/kg) = 2.821e-03 Temperature (°C) = 25.00 - Electrical balance (eq) = 1.344e-09 + Electrical balance (eq) = 2.150e-12 Percent error, 100*(Cat-|An|)/(Cat+|An|) = 0.00 - Iterations = 29 + Iterations = 30 Gamma iterations = 8 - Osmotic coefficient = 0.93050 - Total H = 5.695920e+01 - Total O = 2.857127e+01 + Osmotic coefficient = 0.93042 + Total H = 5.695714e+01 + Total O = 2.857063e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 1.351e-07 1.090e-07 -6.869 -6.962 -0.093 0.00 - OH- 1.319e-07 8.870e-08 -6.880 -7.052 -0.172 (0) - H2O 5.551e+01 9.672e-01 1.744 -0.014 0.000 18.07 -C(-4) 4.862e-17 - CH4 4.862e-17 4.862e-17 -16.313 -16.313 0.000 (0) -C(4) 2.818e-03 - HCO3- 1.860e-03 1.150e-03 -2.730 -2.939 -0.209 (0) - Na(HCO3) 3.845e-04 3.845e-04 -3.415 -3.415 0.000 (0) - CO2 2.903e-04 2.903e-04 -3.537 -3.537 0.000 (0) - Ca(HCO3)+ 1.572e-04 9.720e-05 -3.804 -4.012 -0.209 (0) - Mg(HCO3)+ 9.469e-05 5.856e-05 -4.024 -4.232 -0.209 (0) - Na(CO3)- 8.831e-06 5.462e-06 -5.054 -5.263 -0.209 (0) - Fe(CO3) 7.763e-06 7.763e-06 -5.110 -5.110 0.000 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - CO3-2 3.987e-06 4.934e-07 -5.399 -6.307 -0.907 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Sr(HCO3)+ 1.728e-06 1.068e-06 -5.763 -5.971 -0.209 (0) - FeHCO3+ 1.646e-06 1.018e-06 -5.784 -5.992 -0.209 (0) - FeCO3OH- 2.121e-08 1.312e-08 -7.673 -7.882 -0.209 (0) + H+ 1.348e-07 1.087e-07 -6.870 -6.964 -0.093 0.00 + OH- 1.323e-07 8.897e-08 -6.878 -7.051 -0.172 (0) + H2O 5.551e+01 9.673e-01 1.744 -0.014 0.000 18.07 +C(-4) 5.885e-18 + CH4 5.885e-18 5.885e-18 -17.230 -17.230 0.000 (0) + CH3- 0.000e+00 0.000e+00 -56.058 -56.267 -0.209 (0) +C(4) 2.821e-03 + HCO3- 1.869e-03 1.156e-03 -2.728 -2.937 -0.209 (0) + Na(HCO3) 3.864e-04 3.864e-04 -3.413 -3.413 0.000 (0) + CO2 2.909e-04 2.909e-04 -3.536 -3.536 0.000 (0) + Ca(HCO3)+ 1.567e-04 9.690e-05 -3.805 -4.014 -0.209 (0) + Mg(HCO3)+ 9.225e-05 5.706e-05 -4.035 -4.244 -0.209 (0) + Na(CO3)- 8.898e-06 5.504e-06 -5.051 -5.259 -0.209 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + CO3-2 4.015e-06 4.973e-07 -5.396 -6.303 -0.907 (0) + FeCO3 3.890e-06 3.890e-06 -5.410 -5.410 0.000 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Sr(HCO3)+ 1.722e-06 1.065e-06 -5.764 -5.973 -0.209 (0) Sr(CO3) 1.955e-08 1.955e-08 -7.709 -7.709 0.000 (0) - FeCO3OH 1.679e-09 1.679e-09 -8.775 -8.775 0.000 (0) - Fe(CO3)2-2 1.507e-09 2.204e-10 -8.822 -9.657 -0.835 (0) - Fe(CO3)3-3 1.051e-13 1.391e-15 -12.978 -14.857 -1.878 (0) - CO 6.584e-18 6.584e-18 -17.182 -17.182 0.000 (0) -Ca 3.916e-02 - Ca+2 3.364e-02 6.712e-03 -1.473 -2.173 -0.700 (0) - Ca(SO4) 5.357e-03 5.357e-03 -2.271 -2.271 0.000 (0) - Ca(HCO3)+ 1.572e-04 9.720e-05 -3.804 -4.012 -0.209 (0) - CaCO3 5.496e-06 5.496e-06 -5.260 -5.260 0.000 (0) - Ca(H3SiO4)+ 2.506e-08 1.550e-08 -7.601 -7.810 -0.209 (0) - Ca(OH)+ 1.598e-08 9.880e-09 -7.797 -8.005 -0.209 (0) - Ca(S2O3) 2.011e-15 2.011e-15 -14.697 -14.697 0.000 (0) -Cl 9.741e-01 - Cl- 9.626e-01 6.466e-01 -0.017 -0.189 -0.173 (0) - MgCl+ 1.087e-02 6.721e-03 -1.964 -2.173 -0.209 (0) - FeCl3- 1.470e-04 9.094e-05 -3.833 -4.041 -0.209 (0) - SrCl+ 1.090e-04 6.738e-05 -3.963 -4.171 -0.209 (0) - FeCl+ 4.636e-05 2.867e-05 -4.334 -4.543 -0.209 (0) - FeCl2 4.056e-06 4.056e-06 -5.392 -5.392 0.000 (0) - HCl 1.375e-08 1.375e-08 -7.862 -7.862 0.000 (0) - FeCl+2 7.401e-19 1.083e-19 -18.131 -18.966 -0.835 (0) - FeCl2+ 5.673e-19 3.508e-19 -18.246 -18.455 -0.209 (0) - FeCl3 2.431e-20 2.431e-20 -19.614 -19.614 0.000 (0) - FeCl4- 3.056e-22 1.890e-22 -21.515 -21.724 -0.209 (0) - Cl2 0.000e+00 0.000e+00 -52.935 -52.935 0.000 (0) - ClO4- 0.000e+00 0.000e+00 -153.838 -154.022 -0.184 (0) -Fe(2) 4.465e-04 - Fe+2 2.196e-04 3.212e-05 -3.658 -4.493 -0.835 (0) - FeCl3- 1.470e-04 9.094e-05 -3.833 -4.041 -0.209 (0) - FeCl+ 4.636e-05 2.867e-05 -4.334 -4.543 -0.209 (0) - Fe(SO4) 1.990e-05 1.990e-05 -4.701 -4.701 0.000 (0) - Fe(CO3) 7.763e-06 7.763e-06 -5.110 -5.110 0.000 (0) - FeCl2 4.056e-06 4.056e-06 -5.392 -5.392 0.000 (0) - FeHCO3+ 1.646e-06 1.018e-06 -5.784 -5.992 -0.209 (0) - Fe(OH)+ 1.457e-07 9.010e-08 -6.837 -7.045 -0.209 (0) - FeCO3OH- 2.121e-08 1.312e-08 -7.673 -7.882 -0.209 (0) - Fe(CO3)2-2 1.507e-09 2.204e-10 -8.822 -9.657 -0.835 (0) - Fe(HS)+ 1.312e-10 8.111e-11 -9.882 -10.091 -0.209 (0) - Fe(HSO4)+ 2.601e-11 1.609e-11 -10.585 -10.793 -0.209 (0) - Fe(OH)2 6.348e-12 6.348e-12 -11.197 -11.197 0.000 (0) - Fe(OH)3- 4.563e-16 2.822e-16 -15.341 -15.549 -0.209 (0) - Fe(HS)2 1.206e-18 1.206e-18 -17.919 -17.919 0.000 (0) - Fe(OH)4-2 1.359e-22 1.988e-23 -21.867 -22.701 -0.835 (0) -Fe(3) 1.682e-09 - FeCO3OH 1.679e-09 1.679e-09 -8.775 -8.775 0.000 (0) - Fe(OH)2+ 1.813e-12 1.121e-12 -11.742 -11.950 -0.209 (0) - Fe(OH)3 1.281e-12 1.281e-12 -11.892 -11.892 0.000 (0) - Fe(CO3)3-3 1.051e-13 1.391e-15 -12.978 -14.857 -1.878 (0) - Fe(OH)4- 1.676e-14 1.036e-14 -13.776 -13.985 -0.209 (0) - Fe(OH)+2 1.728e-15 3.817e-16 -14.762 -15.418 -0.656 (0) - Fe(H3SiO4)+2 1.630e-16 2.384e-17 -15.788 -16.623 -0.835 (0) - FeCl+2 7.401e-19 1.083e-19 -18.131 -18.966 -0.835 (0) - FeCl2+ 5.673e-19 3.508e-19 -18.246 -18.455 -0.209 (0) - Fe(SO4)+ 5.304e-19 3.280e-19 -18.275 -18.484 -0.209 (0) - Fe+3 5.037e-19 6.665e-21 -18.298 -20.176 -1.878 (0) - Fe(SO4)2- 4.137e-20 2.559e-20 -19.383 -19.592 -0.209 (0) - FeCl3 2.431e-20 2.431e-20 -19.614 -19.614 0.000 (0) - FeCl4- 3.056e-22 1.890e-22 -21.515 -21.724 -0.209 (0) - FeHSO4+2 5.732e-25 8.385e-26 -24.242 -25.076 -0.835 (0) - Fe2(OH)2+4 8.566e-27 3.922e-30 -26.067 -29.407 -3.339 (0) - FeS2O3+ 3.229e-31 1.997e-31 -30.491 -30.700 -0.209 (0) - Fe3(OH)4+5 1.516e-34 9.185e-40 -33.819 -39.037 -5.218 (0) -H(0) 4.389e-12 - H2 2.194e-12 2.194e-12 -11.659 -11.659 0.000 (0) -K 3.893e-03 - K+ 3.893e-03 2.408e-03 -2.410 -2.618 -0.209 (0) -Mg 3.488e-02 - Mg+2 2.083e-02 4.643e-03 -1.681 -2.333 -0.652 (0) - MgCl+ 1.087e-02 6.721e-03 -1.964 -2.173 -0.209 (0) - Mg(SO4) 3.082e-03 3.082e-03 -2.511 -2.511 0.000 (0) - Mg(HCO3)+ 9.469e-05 5.856e-05 -4.024 -4.232 -0.209 (0) - Mg(CO3) 2.188e-06 2.188e-06 -5.660 -5.660 0.000 (0) - Mg(OH)+ 1.391e-07 8.604e-08 -6.857 -7.065 -0.209 (0) - Mg(H3SiO4)+ 3.083e-08 1.906e-08 -7.511 -7.720 -0.209 (0) - Mg(S2O3) 1.157e-15 1.157e-15 -14.937 -14.937 0.000 (0) - Mg4(OH)4+4 1.117e-18 5.114e-22 -17.952 -21.291 -3.339 (0) + Fe(OH)CO3 2.124e-09 2.124e-09 -8.673 -8.673 0.000 (0) + Fe(CO3)2-2 7.781e-10 1.139e-10 -9.109 -9.943 -0.834 (0) + Fe(CO3)3-3 8.884e-14 1.178e-15 -13.051 -14.929 -1.878 (0) + CO 4.518e-18 4.518e-18 -17.345 -17.345 0.000 (0) +Ca 3.889e-02 + Ca+2 3.338e-02 6.659e-03 -1.477 -2.177 -0.700 (0) + Ca(SO4) 5.356e-03 5.356e-03 -2.271 -2.271 0.000 (0) + Ca(HCO3)+ 1.567e-04 9.690e-05 -3.805 -4.014 -0.209 (0) + CaCO3 5.495e-06 5.495e-06 -5.260 -5.260 0.000 (0) + Ca(H3SiO4)+ 2.494e-08 1.542e-08 -7.603 -7.812 -0.209 (0) + Ca(OH)+ 1.590e-08 9.832e-09 -7.799 -8.007 -0.209 (0) + Ca(S2O3) 1.277e-16 1.277e-16 -15.894 -15.894 0.000 (0) +Cl 9.713e-01 + Cl- 9.603e-01 6.451e-01 -0.018 -0.190 -0.173 (0) + MgCl+ 1.051e-02 6.502e-03 -1.978 -2.187 -0.209 (0) + FeCl+ 3.076e-04 2.711e-04 -3.512 -3.567 -0.055 (0) + SrCl+ 1.078e-04 6.671e-05 -3.967 -4.176 -0.209 (0) + FeCl2+ 1.070e-18 6.617e-19 -17.971 -18.179 -0.209 (0) + FeCl+2 3.395e-19 2.046e-19 -18.469 -18.689 -0.220 (0) + FeCl3 2.693e-20 2.693e-20 -19.570 -19.570 0.000 (0) + FeCl4- 2.809e-22 1.738e-22 -21.551 -21.760 -0.209 (0) + Cl2 0.000e+00 0.000e+00 -52.775 -52.775 0.000 (0) + ClO4- 0.000e+00 0.000e+00 -152.881 -153.065 -0.184 (0) +Fe(2) 5.545e-04 + FeCl+ 3.076e-04 2.711e-04 -3.512 -3.567 -0.055 (0) + Fe+2 1.971e-04 4.202e-05 -3.705 -4.377 -0.671 (0) + Fe(SO4) 4.559e-05 4.559e-05 -4.341 -4.341 0.000 (0) + FeCO3 3.890e-06 3.890e-06 -5.410 -5.410 0.000 (0) + Fe(OH)+ 3.398e-07 2.102e-07 -6.469 -6.677 -0.209 (0) + Fe(CO3)2-2 7.781e-10 1.139e-10 -9.109 -9.943 -0.834 (0) + Fe(HS)+ 3.791e-11 2.345e-11 -10.421 -10.630 -0.209 (0) + Fe(OH)2 4.807e-12 4.807e-12 -11.318 -11.318 0.000 (0) + Fe(OH)3- 6.914e-18 4.277e-18 -17.160 -17.369 -0.209 (0) + Fe(HS)2 7.705e-20 7.705e-20 -19.113 -19.113 0.000 (0) + Fe(OH)4-2 8.605e-23 1.260e-23 -22.065 -22.900 -0.834 (0) +Fe(3) 2.145e-09 + Fe(OH)CO3 2.124e-09 2.124e-09 -8.673 -8.673 0.000 (0) + Fe(OH)2+ 1.943e-11 1.202e-11 -10.712 -10.920 -0.209 (0) + Fe(OH)3 1.858e-12 1.858e-12 -11.731 -11.731 0.000 (0) + Fe(CO3)3-3 8.884e-14 1.178e-15 -13.051 -14.929 -1.878 (0) + Fe(OH)4- 2.437e-14 1.508e-14 -13.613 -13.822 -0.209 (0) + Fe(OH)+2 2.732e-15 6.034e-16 -14.564 -15.219 -0.656 (0) + Fe(H3SiO4)+2 2.347e-16 3.437e-17 -15.629 -16.464 -0.834 (0) + Fe(SO4)+ 1.085e-18 6.711e-19 -17.965 -18.173 -0.209 (0) + FeCl2+ 1.070e-18 6.617e-19 -17.971 -18.179 -0.209 (0) + Fe(SO4)2- 3.989e-19 2.468e-19 -18.399 -18.608 -0.209 (0) + FeCl+2 3.395e-19 2.046e-19 -18.469 -18.689 -0.220 (0) + Fe+3 1.346e-19 9.580e-21 -18.871 -20.019 -1.148 (0) + FeCl3 2.693e-20 2.693e-20 -19.570 -19.570 0.000 (0) + FeCl4- 2.809e-22 1.738e-22 -21.551 -21.760 -0.209 (0) + Fe2(OH)2+4 2.393e-26 1.099e-29 -25.621 -28.959 -3.338 (0) + FeS2O3+ 1.054e-31 6.520e-32 -30.977 -31.186 -0.209 (0) + Fe3(OH)4+5 4.532e-34 2.760e-39 -33.344 -38.559 -5.215 (0) +H(0) 3.005e-12 + H2 1.502e-12 1.502e-12 -11.823 -11.823 0.000 (0) +K 3.894e-03 + K+ 3.894e-03 2.408e-03 -2.410 -2.618 -0.209 (0) +Mg 3.382e-02 + Mg+2 2.020e-02 4.502e-03 -1.695 -2.347 -0.652 (0) + MgCl+ 1.051e-02 6.502e-03 -1.978 -2.187 -0.209 (0) + Mg(SO4) 3.012e-03 3.012e-03 -2.521 -2.521 0.000 (0) + Mg(HCO3)+ 9.225e-05 5.706e-05 -4.035 -4.244 -0.209 (0) + Mg(CO3) 2.138e-06 2.138e-06 -5.670 -5.670 0.000 (0) + Mg(OH)+ 1.353e-07 8.368e-08 -6.869 -7.077 -0.209 (0) + Mg(H3SiO4)+ 2.998e-08 1.854e-08 -7.523 -7.732 -0.209 (0) + Mg(S2O3) 2.549e-16 2.549e-16 -15.594 -15.594 0.000 (0) + Mg4(OH)4+4 9.963e-19 4.577e-22 -18.002 -21.339 -3.338 (0) Na 9.083e-01 Na+ 9.079e-01 5.944e-01 -0.042 -0.226 -0.184 (0) - Na(HCO3) 3.845e-04 3.845e-04 -3.415 -3.415 0.000 (0) - Na(CO3)- 8.831e-06 5.462e-06 -5.054 -5.263 -0.209 (0) - Na(S2O3)- 1.477e-14 9.134e-15 -13.831 -14.039 -0.209 (0) -O(0) -6.583e-18 - CO 6.584e-18 6.584e-18 -17.182 -17.182 0.000 (0) - S2-2 9.954e-22 1.456e-22 -21.002 -21.837 -0.835 (0) - S3-2 5.092e-26 7.449e-27 -25.293 -26.128 -0.835 (0) - S4-2 2.067e-31 3.024e-32 -30.685 -31.519 -0.835 (0) - S4O6-2 6.939e-35 1.015e-35 -34.159 -34.994 -0.835 (0) - S5-2 5.061e-37 7.403e-38 -36.296 -37.131 -0.835 (0) - S3O6-2 0.000e+00 0.000e+00 -42.507 -43.342 -0.835 (0) - Cl2 0.000e+00 0.000e+00 -52.935 -52.935 0.000 (0) - S5O6-2 0.000e+00 0.000e+00 -55.210 -56.045 -0.835 (0) - HSO5- 0.000e+00 0.000e+00 -60.807 -61.016 -0.209 (0) - O2 0.000e+00 0.000e+00 -68.851 -68.851 0.000 (0) - S2O8-2 0.000e+00 0.000e+00 -74.707 -75.542 -0.835 (0) - ClO4- 0.000e+00 0.000e+00 -153.838 -154.022 -0.184 (0) -S(-2) 4.408e-10 - HS- 1.866e-10 1.154e-10 -9.729 -9.938 -0.209 (0) - Fe(HS)+ 1.312e-10 8.111e-11 -9.882 -10.091 -0.209 (0) - H2S 1.230e-10 1.230e-10 -9.910 -9.910 0.000 (0) - Fe(HS)2 1.206e-18 1.206e-18 -17.919 -17.919 0.000 (0) - S-2 5.748e-20 8.407e-21 -19.241 -20.075 -0.835 (0) - S2-2 9.954e-22 1.456e-22 -21.002 -21.837 -0.835 (0) - S3-2 5.092e-26 7.449e-27 -25.293 -26.128 -0.835 (0) - S4-2 2.067e-31 3.024e-32 -30.685 -31.519 -0.835 (0) - S5-2 5.061e-37 7.403e-38 -36.296 -37.131 -0.835 (0) -S(2) 8.750e-14 - S2O3-2 2.579e-14 3.772e-15 -13.589 -14.423 -0.835 (0) - Na(S2O3)- 1.477e-14 9.134e-15 -13.831 -14.039 -0.209 (0) - Ca(S2O3) 2.011e-15 2.011e-15 -14.697 -14.697 0.000 (0) - Mg(S2O3) 1.157e-15 1.157e-15 -14.937 -14.937 0.000 (0) - Sr(S2O3) 2.538e-17 2.538e-17 -16.596 -16.596 0.000 (0) - H(S2O3)- 3.490e-20 2.159e-20 -19.457 -19.666 -0.209 (0) - H2(S2O3) 9.370e-27 9.370e-27 -26.028 -26.028 0.000 (0) - FeS2O3+ 3.229e-31 1.997e-31 -30.491 -30.700 -0.209 (0) -S(3) 2.611e-33 - S2O4-2 1.306e-33 1.910e-34 -32.884 -33.719 -0.835 (0) - HS2O4- 1.065e-38 6.586e-39 -37.973 -38.181 -0.209 (0) - H2S2O4 0.000e+00 0.000e+00 -44.844 -44.844 0.000 (0) -S(4) 2.732e-14 - SO3-2 2.066e-14 2.556e-15 -13.685 -14.592 -0.907 (0) - H(SO3)- 6.667e-15 4.123e-15 -14.176 -14.385 -0.209 (0) - SO2 3.368e-20 3.368e-20 -19.473 -19.473 0.000 (0) - H2(SO3) 3.257e-20 3.257e-20 -19.487 -19.487 0.000 (0) - S2O5-2 3.889e-30 5.688e-31 -29.410 -30.245 -0.835 (0) - S4O6-2 6.939e-35 1.015e-35 -34.159 -34.994 -0.835 (0) - S3O6-2 0.000e+00 0.000e+00 -42.507 -43.342 -0.835 (0) - S5O6-2 0.000e+00 0.000e+00 -55.210 -56.045 -0.835 (0) -S(6) 4.285e-02 - SO4-2 3.435e-02 3.909e-03 -1.464 -2.408 -0.944 (0) - Ca(SO4) 5.357e-03 5.357e-03 -2.271 -2.271 0.000 (0) - Mg(SO4) 3.082e-03 3.082e-03 -2.511 -2.511 0.000 (0) + Na(HCO3) 3.864e-04 3.864e-04 -3.413 -3.413 0.000 (0) + Na(CO3)- 8.898e-06 5.504e-06 -5.051 -5.259 -0.209 (0) + Na(S2O3)- 3.355e-15 2.075e-15 -14.474 -14.683 -0.209 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -68.532 -68.532 0.000 (0) +S(-2) 1.062e-10 + HS- 4.124e-11 2.551e-11 -10.385 -10.593 -0.209 (0) + Fe(HS)+ 3.791e-11 2.345e-11 -10.421 -10.630 -0.209 (0) + H2S 2.710e-11 2.710e-11 -10.567 -10.567 0.000 (0) + Fe(HS)2 7.705e-20 7.705e-20 -19.113 -19.113 0.000 (0) + S-2 1.273e-20 1.864e-21 -19.895 -20.730 -0.834 (0) + S2-2 7.096e-23 1.039e-23 -22.149 -22.983 -0.834 (0) + S3-2 1.168e-27 1.709e-28 -26.933 -27.767 -0.834 (0) + S4-2 1.526e-33 2.234e-34 -32.816 -33.651 -0.834 (0) + S5-2 1.202e-39 1.759e-40 -38.920 -39.755 -0.834 (0) +S(2) 1.919e-14 + S2O3-2 5.853e-15 8.569e-16 -14.233 -15.067 -0.834 (0) + Na(S2O3)- 3.355e-15 2.075e-15 -14.474 -14.683 -0.209 (0) + Mg(S2O3) 2.549e-16 2.549e-16 -15.594 -15.594 0.000 (0) + Ca(S2O3) 1.277e-16 1.277e-16 -15.894 -15.894 0.000 (0) + Sr(S2O3) 5.721e-18 5.721e-18 -17.243 -17.243 0.000 (0) + H(S2O3)- 7.904e-21 4.889e-21 -20.102 -20.311 -0.209 (0) + H2(S2O3) 2.116e-27 2.116e-27 -26.674 -26.674 0.000 (0) + FeS2O3+ 1.054e-31 6.520e-32 -30.977 -31.186 -0.209 (0) +S(3) 8.456e-34 + S2O4-2 4.228e-34 6.190e-35 -33.374 -34.208 -0.834 (0) + HS2O4- 3.441e-39 2.128e-39 -38.463 -38.672 -0.209 (0) + H2S2O4 0.000e+00 0.000e+00 -45.336 -45.336 0.000 (0) +S(4) 1.884e-14 + SO3-2 1.425e-14 1.765e-15 -13.846 -14.753 -0.907 (0) + H(SO3)- 4.588e-15 2.838e-15 -14.338 -14.547 -0.209 (0) + SO2 2.311e-20 2.311e-20 -19.636 -19.636 0.000 (0) + H2(SO3) 2.235e-20 2.235e-20 -19.651 -19.651 0.000 (0) + S2O5-2 1.840e-30 2.694e-31 -29.735 -30.570 -0.834 (0) + S4O6-2 4.968e-36 7.273e-37 -35.304 -36.138 -0.834 (0) + S3O6-2 0.000e+00 0.000e+00 -43.160 -43.995 -0.834 (0) + S5O6-2 0.000e+00 0.000e+00 -56.838 -57.672 -0.834 (0) +S(6) 4.304e-02 + SO4-2 3.458e-02 3.940e-03 -1.461 -2.405 -0.943 (0) + Ca(SO4) 5.356e-03 5.356e-03 -2.271 -2.271 0.000 (0) + Mg(SO4) 3.012e-03 3.012e-03 -2.521 -2.521 0.000 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - Fe(SO4) 1.990e-05 1.990e-05 -4.701 -4.701 0.000 (0) - H(SO4)- 6.722e-08 4.071e-08 -7.173 -7.390 -0.218 (0) - Fe(HSO4)+ 2.601e-11 1.609e-11 -10.585 -10.793 -0.209 (0) - Fe(SO4)+ 5.304e-19 3.280e-19 -18.275 -18.484 -0.209 (0) - Fe(SO4)2- 4.137e-20 2.559e-20 -19.383 -19.592 -0.209 (0) - FeHSO4+2 5.732e-25 8.385e-26 -24.242 -25.076 -0.835 (0) - HSO5- 0.000e+00 0.000e+00 -60.807 -61.016 -0.209 (0) - S2O8-2 0.000e+00 0.000e+00 -74.707 -75.542 -0.835 (0) -Si 1.707e-04 - H4(SiO4) 1.702e-04 1.702e-04 -3.769 -3.769 0.000 (0) - H3(SiO4)- 4.313e-07 2.257e-07 -6.365 -6.647 -0.281 (0) - Mg(H3SiO4)+ 3.083e-08 1.906e-08 -7.511 -7.720 -0.209 (0) - Ca(H3SiO4)+ 2.506e-08 1.550e-08 -7.601 -7.810 -0.209 (0) - Si2O2(OH)5- 1.661e-09 8.689e-10 -8.780 -9.061 -0.281 (0) - Si2O3(OH)4-2 9.384e-13 1.003e-13 -12.028 -12.999 -0.971 (0) - H2(SiO4)-2 8.738e-13 1.037e-13 -12.059 -12.984 -0.926 (0) - Fe(H3SiO4)+2 1.630e-16 2.384e-17 -15.788 -16.623 -0.835 (0) - Si4O6(OH)6-2 1.386e-16 2.027e-17 -15.858 -16.693 -0.835 (0) - Si3O6(OH)3-3 2.686e-18 2.107e-20 -17.571 -19.676 -2.105 (0) - Si3O5(OH)5-3 2.064e-18 1.619e-20 -17.685 -19.791 -2.105 (0) - Si4O8(OH)4-4 1.611e-23 4.282e-27 -22.793 -26.368 -3.575 (0) - Si4O7(OH)6-4 1.139e-23 5.214e-27 -22.944 -26.283 -3.339 (0) - Si6O15-6 1.010e-35 0.000e+00 -34.996 -42.509 -7.513 (0) -Sr 5.781e-04 - Sr+2 4.195e-04 6.136e-05 -3.377 -4.212 -0.835 (0) - SrCl+ 1.090e-04 6.738e-05 -3.963 -4.171 -0.209 (0) + Fe(SO4) 4.559e-05 4.559e-05 -4.341 -4.341 0.000 (0) + H(SO4)- 6.753e-08 4.091e-08 -7.171 -7.388 -0.218 (0) + Fe(SO4)+ 1.085e-18 6.711e-19 -17.965 -18.173 -0.209 (0) + Fe(SO4)2- 3.989e-19 2.468e-19 -18.399 -18.608 -0.209 (0) + HSO5- 0.000e+00 0.000e+00 -60.641 -60.849 -0.209 (0) + S2O8-2 0.000e+00 0.000e+00 -74.539 -75.373 -0.834 (0) +Si 1.708e-04 + H4(SiO4) 1.703e-04 1.703e-04 -3.769 -3.769 0.000 (0) + H3(SiO4)- 4.326e-07 2.264e-07 -6.364 -6.645 -0.281 (0) + Mg(H3SiO4)+ 2.998e-08 1.854e-08 -7.523 -7.732 -0.209 (0) + Ca(H3SiO4)+ 2.494e-08 1.542e-08 -7.603 -7.812 -0.209 (0) + Si2O2(OH)5- 1.666e-09 8.717e-10 -8.778 -9.060 -0.281 (0) + Si2O3(OH)4-2 9.433e-13 1.009e-13 -12.025 -12.996 -0.971 (0) + H2(SiO4)-2 8.784e-13 1.043e-13 -12.056 -12.982 -0.925 (0) + Fe(H3SiO4)+2 2.347e-16 3.437e-17 -15.629 -16.464 -0.834 (0) + Si4O6(OH)6-2 1.393e-16 2.040e-17 -15.856 -16.690 -0.834 (0) + Si3O6(OH)3-3 2.705e-18 2.127e-20 -17.568 -19.672 -2.104 (0) + Si3O5(OH)5-3 2.078e-18 1.634e-20 -17.682 -19.787 -2.104 (0) + Si4O8(OH)4-4 1.625e-23 4.334e-27 -22.789 -26.363 -3.574 (0) + Si4O7(OH)6-4 1.149e-23 5.278e-27 -22.940 -26.278 -3.338 (0) + Si6O15-6 1.020e-35 0.000e+00 -34.991 -42.501 -7.510 (0) +Sr 5.734e-04 + Sr+2 4.159e-04 6.089e-05 -3.381 -4.215 -0.834 (0) + SrCl+ 1.078e-04 6.671e-05 -3.967 -4.176 -0.209 (0) Sr(SO4) 4.786e-05 4.786e-05 -4.320 -4.320 0.000 (0) - Sr(HCO3)+ 1.728e-06 1.068e-06 -5.763 -5.971 -0.209 (0) + Sr(HCO3)+ 1.722e-06 1.065e-06 -5.764 -5.973 -0.209 (0) Sr(CO3) 1.955e-08 1.955e-08 -7.709 -7.709 0.000 (0) - Sr(OH)+ 4.514e-11 2.791e-11 -10.345 -10.554 -0.209 (0) - Sr(S2O3) 2.538e-17 2.538e-17 -16.596 -16.596 0.000 (0) + Sr(OH)+ 4.491e-11 2.778e-11 -10.348 -10.556 -0.209 (0) + Sr(S2O3) 5.721e-18 5.721e-18 -17.243 -17.243 0.000 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - Acmite -0.98 -0.06 0.92 NaFeSi2O6 + Acmite -0.79 0.10 0.89 NaFeSi2O6 Afwillite -21.73 27.69 49.42 Ca3Si2O4(OH)6 Anhydrite -0.14 -4.58 -4.44 Ca(SO4) Antarcticite -6.58 -2.64 3.94 CaCl2:6H2O - Antigorite -72.07 428.09 500.16 Mg48Si34O85(OH)62 + Antigorite -72.31 427.58 499.89 Mg48Si34O85(OH)62 Aragonite -0.17 -8.48 -8.31 CaCO3 Arcanite -5.79 -7.64 -1.85 K2SO4 - Artinite -6.93 2.88 9.81 Mg2(CO3)(OH)2:3H2O + Artinite -6.95 2.86 9.81 Mg2(CO3)(OH)2:3H2O Bassanite -0.67 -4.59 -3.92 CaSO4:0.5H2O - Bischofite -7.26 -2.80 4.46 MgCl2:6H2O - Bloedite -5.31 -7.66 -2.35 Na2Mg(SO4)2:4H2O - Brucite -5.54 11.56 17.10 Mg(OH)2 - Burkeite -11.71 -12.48 -0.77 Na6(CO3)(SO4)2 - C(cr) -5.20 48.63 53.83 C + Bischofite -7.27 -2.81 4.46 MgCl2:6H2O + Bloedite -5.32 -7.67 -2.35 Na2Mg(SO4)2:4H2O + Brucite -5.55 11.55 17.10 Mg(OH)2 + Burkeite -11.70 -12.47 -0.77 Na6(CO3)(SO4)2 + C(cr) -5.52 -37.67 -32.15 C C2SH(alpha) -15.82 19.72 35.54 Ca2(HSiO4)(OH) - C3FH6 -35.89 36.50 72.39 Ca3Fe2(OH)12 - C4FH13 -47.02 48.14 95.16 Ca4Fe2(OH)14:6H2O - Ca(s) -93.68 46.16 139.84 Ca - Ca(SO3)(s) -10.27 -16.77 -6.50 Ca(SO3) - Ca2Cl2(OH)2:H2O(s) -17.37 9.16 26.53 Ca2Cl2(OH)2:H2O - Ca2Fe2O5(s) -31.91 24.85 56.76 Ca2Fe2O5 - Ca4Cl2(OH)6:13H2O(s) -36.30 32.43 68.73 Ca4Cl2(OH)6:13H2O - CaCl2:2H2O(cr) -10.53 -2.58 7.95 CaCl2:2H2O - CaCl2:4H2O(cr) -7.96 -2.61 5.35 CaCl2:4H2O + C3FH6 -35.51 36.82 72.33 Ca3Fe2(OH)12 + C4FH13 -46.62 48.46 95.08 Ca4Fe2(OH)14:6H2O + Ca(cr) -93.84 3.01 96.85 Ca + Ca(SO3)(s) -10.43 -16.93 -6.50 Ca(SO3) + Ca2Cl2(OH)2:H2O(s) -17.38 9.15 26.53 Ca2Cl2(OH)2:H2O + Ca2Fe2O5(s) -31.57 25.17 56.74 Ca2Fe2O5 + Ca4Cl2(OH)6:13H2O(s) -36.31 32.42 68.73 Ca4Cl2(OH)6:13H2O + CaCl2:2H2O(cr) -10.54 -2.59 7.95 CaCl2:2H2O + CaCl2:4H2O(cr) -7.97 -2.62 5.35 CaCl2:4H2O CaCl2:H2O(s) -10.42 -2.57 7.85 CaCl2:H2O CaCO3:H2O(s) -0.89 -8.49 -7.60 CaCO3:H2O - CaFe2O4(s) -8.12 13.12 21.24 CaFe2O4 + CaFe2O4(s) -7.80 13.44 21.24 CaFe2O4 Calcite 0.00 -8.48 -8.48 CaCO3 - CaMg3(CO3)4(s) -3.59 -34.40 -30.81 CaMg3(CO3)4 + CaMg3(CO3)4(s) -3.62 -34.43 -30.81 CaMg3(CO3)4 CaO(cr) -20.96 11.74 32.70 CaO - Carnallite -9.94 -5.61 4.33 KMgCl3:6H2O + Carnallite -9.95 -5.62 4.33 KMgCl3:6H2O Celestite 0.00 -6.62 -6.62 Sr(SO4) - CH4(g) -13.45 117.46 130.91 CH4 - Cl2(g) -51.70 -48.71 2.99 Cl2 - CO(g) -14.14 14.21 28.35 CO + CH4(g) -14.11 -55.16 -41.05 CH4 + Chukanovite -4.13 -1.16 2.97 Fe2(OH)2CO3 + Cl2(g) -51.54 -5.56 45.98 Cl2 + CO(g) -14.31 -28.95 -14.64 CO CO2(g) -2.07 -20.22 -18.15 CO2 Cristobalite -0.58 -3.74 -3.16 SiO2 - Cronstedtite-Th 0.33 16.44 16.11 Fe4SiO5(OH)4 + Cronstedtite-Th 0.90 17.01 16.11 Fe4SiO5(OH)4 CSH0.8 -5.42 5.63 11.05 Ca0.8SiO2.8:1.54H2O CSH1.2 -8.99 10.31 19.30 Ca1.2SiO3.2:2.06H2O CSH1.6 -13.00 15.00 28.00 Ca1.6SiO3.6:2.58H2O - Dolomite 0.00 -17.12 -17.12 CaMg(CO3)2 - Epsonite -2.96 -4.84 -1.88 Mg(SO4):7H2O - Ettringite-Fe -32.17 22.38 54.55 Ca6Fe2(SO4)3(OH)12:26H2O - Fayalite -4.42 15.09 19.51 Fe2(SiO4) - Fe(OH)2(cr) -3.36 9.40 12.76 Fe(OH)2 - Fe(s) -15.01 43.84 58.85 Fe - FeO(s) -3.95 9.42 13.37 FeO - Ferrihydrite(am) -1.87 0.67 2.54 Fe(OH)3 - Ferrosilite -27.03 5.68 32.71 FeSiO3 - Ferryhydrite -0.52 0.67 1.19 Fe(OH)3 - FeS(am) -4.52 -7.47 -2.95 FeS - Foshagite -30.25 35.71 65.96 Ca4Si3O9(OH)2:0.5H2O + Dolomite 0.00 -17.13 -17.13 CaMg(CO3)2 + Epsonite -2.97 -4.85 -1.88 Mg(SO4):7H2O + Ettringite-Fe -31.85 22.70 54.55 Ca6Fe2(SO4)3(OH)12:26H2O + Fayalite -4.22 15.33 19.55 Fe2(SiO4) + Fe(alpha,cr) -15.08 0.81 15.89 Fe + Fe(OH)2(cr) -3.26 9.52 12.78 Fe(OH)2 + Fe0.932O(s) -4.03 9.48 13.51 Fe0.932O + Fe3O4(s) -1.36 11.24 12.60 Fe3O4 + FeO(s) -3.85 9.54 13.39 FeO + Ferrihydrite(am) -3.09 0.83 3.92 Fe(OH)3 + Ferrihydrite(cr) -0.39 0.83 1.22 Fe(OH)3 + Ferrihydrite(s) -1.95 0.83 2.78 Fe(OH)3 + Ferrosilite -26.91 5.80 32.71 FeSiO3 + FeS(am) -5.06 -8.01 -2.95 FeS + Foshagite -30.26 35.70 65.96 Ca4Si3O9(OH)2:0.5H2O Gaylussite -5.88 -15.31 -9.43 CaNa2(CO3)2:5H2O - Glaserite -18.18 -25.79 -7.61 Na2K6(SO4)4 + Glaserite -18.17 -25.78 -7.61 Na2K6(SO4)4 Glauberite -9.41 -7.44 1.97 Na2Ca(SO4)2 - Goethite 0.29 0.68 0.39 FeOOH - Greenalite -1.03 20.74 21.77 Fe3Si2O5(OH)4 + Goethite 0.67 0.84 0.17 FeOOH + GR-Cl -6.49 35.31 41.80 Fe3Fe(OH)8Cl + GR-CO3 -9.89 45.61 55.50 Fe4Fe2(OH)12CO3:2H2O + GR-SO4 -8.76 49.54 58.30 Fe4Fe2(OH)12SO4 + Greenalite -0.72 21.10 21.82 Fe3Si2O5(OH)4 + Greigite -17.80 -32.83 -15.03 Fe3S4 Gypsum 0.00 -4.61 -4.61 CaSO4:2H2O Gyrolite -10.12 12.22 22.34 Ca2Si3O7.5(OH):2H2O - H2(g) -8.58 34.41 42.99 H2 - H2O(g) -1.51 -0.01 1.50 H2O - H2S(g) -8.90 -16.90 -8.00 H2S + H2(g) -8.74 -8.74 0.00 H2 + H2O(g) -1.51 -43.01 -41.50 H2O + H2S(g) -9.56 -17.56 -8.00 H2S Halite -2.01 -0.42 1.59 NaCl HCl(g) -13.44 -7.15 6.29 HCl - Hematite 2.40 1.38 -1.02 Fe2O3 - Hexahydrite -3.19 -4.83 -1.64 Mg(SO4):6H2O + Hematite(cr) 2.53 1.70 -0.83 Fe2O3 + Hematite(s) 1.80 1.70 -0.10 Fe2O3 + Hexahydrite -3.20 -4.84 -1.64 Mg(SO4):6H2O Hillebrandite -17.23 19.72 36.95 Ca2SiO3(OH)2:0.17H2O - Hydrophilite -14.32 -2.55 11.77 CaCl2 - Jaffeite -51.16 62.90 114.06 Ca6(Si2O7)(OH)6 - Jennite -64.29 83.04 147.33 Ca9Si6O16(OH)10:6(H2O) - K(cr) -49.44 21.55 70.99 K + Hydrophilite -14.33 -2.56 11.77 CaCl2 + Jaffeite -51.17 62.89 114.06 Ca6(Si2O7)(OH)6 + Jennite -64.30 83.03 147.33 Ca9Si6O16(OH)10:6H2O + K(cr) -49.52 -0.03 49.49 K K(OH)(s) -20.27 4.33 24.60 K(OH) - K-carbonate -14.60 -11.57 3.03 K2CO3:1.5H2O - K-trona -15.97 -25.07 -9.10 K2NaH(CO3)2:2H2O + K-carbonate -14.59 -11.56 3.03 K2CO3:1.5H2O + K-trona -15.96 -25.06 -9.10 K2NaH(CO3)2:2H2O K2CO3(cr) -16.95 -11.54 5.41 K2CO3 - K2O(s) -75.44 8.67 84.11 K2O - Kainite -7.40 -7.59 -0.19 KMgCl(SO4):3H2O + K2O(s) -75.43 8.68 84.11 K2O + Kainite -7.41 -7.60 -0.19 KMgCl(SO4):3H2O Kalicinite -5.83 -15.89 -10.06 KHCO3 - Lansfordite -3.67 -8.71 -5.04 Mg(CO3):5H2O - Lawrencite -13.76 -4.87 8.89 FeCl2 - Leonhardtite -3.91 -4.80 -0.89 MgSO4:4H2O - Leonite -8.46 -12.44 -3.98 K2Mg(SO4)2:4H2O - Lepidocrocite -0.07 0.68 0.75 FeOOH - Lizardite -5.88 27.22 33.10 Mg3Si2O5(OH)4 - Mackinawite -3.87 -7.47 -3.60 FeS - Maghemite(disord) -1.93 1.38 3.31 Fe2O3 - Maghemite(ord) -2.14 1.38 3.52 Fe2O3 - Magnesite(nat) 0.27 -8.64 -8.91 MgCO3 - Magnesite(syn) -0.54 -8.64 -8.10 Mg(CO3) - Magnetite 0.39 10.80 10.41 Fe3O4 - Melanterite -4.79 -7.00 -2.21 FeSO4:7H2O + Lansfordite -3.68 -8.72 -5.04 Mg(CO3):5H2O + Lawrencite -13.69 -4.76 8.93 FeCl2 + Leonhardtite -3.92 -4.81 -0.89 MgSO4:4H2O + Leonite -8.47 -12.45 -3.98 K2Mg(SO4)2:4H2O + Lepidocrocite -1.02 0.84 1.86 FeOOH + Lizardite -5.89 27.19 33.08 Mg3Si2O5(OH)4 + Mackinawite -4.82 -8.01 -3.19 FeS + Maghemite -1.09 1.70 2.79 Fe2O3 + Magnesite(nat) 0.26 -8.65 -8.91 MgCO3 + Magnesite(syn) -0.55 -8.65 -8.10 Mg(CO3) + Magnetite 0.90 11.24 10.34 Fe3O4 + Melanterite -4.60 -6.88 -2.28 FeSO4:7H2O Mercallite -10.59 -11.99 -1.40 KHSO4 - Mg(cr) -76.77 46.00 122.77 Mg - Mg(SO4)(s) -13.84 -4.74 9.10 Mg(SO4) - Mg(SO4):H2O(s) -4.64 -4.76 -0.12 Mg(SO4):H2O - Mg-oxychlorur -10.10 15.93 26.03 Mg2Cl(OH)3:4H2O - Mg5(CO3)4(OH)2:4H2O(s) -12.75 -23.06 -10.31 Mg5(CO3)4(OH)2:4H2O - MgCl2(s) -24.74 -2.71 22.03 MgCl2 - MgCl2:2H2O(s) -15.64 -2.74 12.90 MgCl2:2H2O - MgCl2:4H2O(s) -10.21 -2.77 7.44 MgCl2:4H2O - MgCl2:H2O(s) -18.95 -2.73 16.22 MgCl2:H2O - Minnesotaite -1.65 13.28 14.93 Fe3Si4O10(OH)2 + Mg(cr) -76.94 2.84 79.78 Mg + Mg(SO4)(s) -13.85 -4.75 9.10 Mg(SO4) + Mg(SO4):H2O(s) -4.65 -4.77 -0.12 Mg(SO4):H2O + Mg-oxychlorur -10.12 15.91 26.03 Mg2Cl(OH)3:4H2O + Mg5(CO3)4(OH)2:4H2O(s) -12.80 -23.11 -10.31 Mg5(CO3)4(OH)2:4H2O + MgCl2(s) -24.76 -2.73 22.03 MgCl2 + MgCl2:2H2O(s) -15.66 -2.76 12.90 MgCl2:2H2O + MgCl2:4H2O(s) -10.23 -2.79 7.44 MgCl2:4H2O + MgCl2:H2O(s) -18.96 -2.74 16.22 MgCl2:H2O + Minnesotaite -1.36 13.63 14.99 Fe3Si4O10(OH)2 Mirabilite -1.77 -3.00 -1.23 Na2SO4:10H2O - Monosulfate-Fe -34.21 31.84 66.05 Ca4Fe2(SO4)(OH)12:6H2O - Na(cr) -43.44 23.94 67.38 Na + Monosulfate-Fe -33.89 32.16 66.05 Ca4Fe2(SO4)(OH)12:6H2O + Na(cr) -43.52 2.37 45.89 Na Na2(CO3)(cr) -7.88 -6.76 1.12 Na2(CO3) Na2CO3:7H2O(s) -6.40 -6.86 -0.46 Na2CO3:7H2O Na2O(cr) -54.00 13.46 67.46 Na2O - Nahcolite -2.76 -13.50 -10.74 Na(HCO3) + Nahcolite -2.75 -13.49 -10.74 Na(HCO3) Natron -6.07 -6.90 -0.83 Na2(CO3):10H2O - Nesquehonite -3.58 -8.68 -5.10 Mg(CO3):3H2O - O2(g) -65.95 -68.85 -2.90 O2 + Nesquehonite -3.59 -8.69 -5.10 Mg(CO3):3H2O + O2(g) -65.63 -68.53 -2.90 O2 Okenite -4.95 4.23 9.18 CaSi2O5:2H2O - Pentahydrite -3.53 -4.81 -1.28 MgSO4:5H2O - Periclase -10.00 11.58 21.58 MgO - Picromerite -8.14 -12.47 -4.33 K2Mg(SO4)2:6H2O - Pirssonite -6.36 -15.27 -8.91 Na2Ca(CO3)2:2H2O + Pentahydrite -3.54 -4.82 -1.28 MgSO4:5H2O + Periclase -10.01 11.57 21.58 MgO + Picromerite -8.15 -12.48 -4.33 K2Mg(SO4)2:6H2O + Pirssonite -6.35 -15.26 -8.91 Na2Ca(CO3)2:2H2O Polyhalite -7.84 -21.58 -13.74 K2MgCa2(SO4)4:2H2O Portlandite -11.09 11.72 22.81 Ca(OH)2 - Pyrite 0.00 -58.78 -58.78 FeS2 - Pyrrhotite -1.99 -13.17 -11.18 Fe0.87S + Pyrite 0.00 -16.82 -16.82 FeS2 + Pyrrhotite -2.79 -8.11 -5.32 Fe0.87S Quartz 0.00 -3.74 -3.74 SiO2 - S(cr) -6.18 -51.31 -45.13 S - Si(cr) -84.06 65.11 149.17 Si - Siderite 0.00 -10.80 -10.80 Fe(CO3) + S(cr) -6.67 -8.81 -2.14 S + Schwertmannite(cr) -18.28 -9.56 8.72 Fe8O8(OH)6SO4 + Si(cr) -84.39 -21.20 63.19 Si + Siderite 0.00 -10.68 -10.68 Fe(CO3) SiO2(am) -1.03 -3.74 -2.71 SiO2 - SO2(g) -19.56 -28.50 -8.94 SO2 - Sr(cr) -97.66 44.12 141.78 Sr + SO2(g) -19.73 -28.67 -8.94 SO2 + Sr(cr) -97.82 0.97 98.79 Sr Sr(OH)2(s) -17.83 9.68 27.51 Sr(OH)2 Sr(OH)2:8H2O(s) -14.75 9.57 24.32 Sr(OH)2:8H2O - Sr2SiO4(s) -27.59 15.66 43.25 Sr2SiO4 - SrCl2(s) -12.71 -4.59 8.12 SrCl2 - SrCl2:2H2O(s) -8.09 -4.62 3.47 SrCl2:2H2O + Sr2SiO4(s) -27.60 15.65 43.25 Sr2SiO4 + SrCl2(s) -12.72 -4.60 8.12 SrCl2 + SrCl2:2H2O(s) -8.10 -4.63 3.47 SrCl2:2H2O SrCl2:6H2O(s) -6.29 -4.68 1.61 SrCl2:6H2O SrCl2:H2O(s) -9.52 -4.61 4.91 SrCl2:H2O SrO(cr) -32.28 9.70 41.98 SrO - SrS(s) -21.87 -7.19 14.68 SrS + SrS(s) -22.53 -7.85 14.68 SrS SrSiO3(s) -7.20 5.96 13.16 SrSiO3 Strontianite -1.25 -10.52 -9.27 Sr(CO3) Sylvite -3.68 -2.81 0.87 KCl Syngenite -4.86 -12.31 -7.45 K2Ca(SO4)2:6H2O - Tachyhydrite -25.53 -8.15 17.38 Mg2CaCl6:12H2O - Talc -5.18 19.76 24.94 Mg3Si4O10(OH)2 + Tachyhydrite -25.57 -8.19 17.38 Mg2CaCl6:12H2O + Talc -5.20 19.72 24.92 Mg3Si4O10(OH)2 + Thenardite -2.50 -2.86 -0.36 Na2SO4 Thermonatrite -7.25 -6.77 0.48 Na2(CO3):H2O - Thernardite -2.50 -2.86 -0.36 Na2SO4 - Tobermorite-11A -29.41 36.17 65.58 Ca5Si6O16.5(OH):5H2O + Tobermorite-11A -29.42 36.16 65.58 Ca5Si6O16.5(OH):5H2O Tobermorite-14A -26.85 36.09 62.94 Ca5Si6O16.5(OH):10H2O - Troilite -2.16 -7.47 -5.31 FeS + Troilite -4.02 -8.01 -3.99 FeS Trona -8.90 -20.28 -11.38 Na3H(CO3)2:2H2O - Truscottite -39.84 37.24 77.08 Ca7Si12O29(OH)4:H2O + Truscottite -39.85 37.23 77.08 Ca7Si12O29(OH)4:H2O Vaterite -0.58 -8.48 -7.90 CaCO3 - Xonotlite -43.37 47.97 91.34 Ca6Si6O17(OH)2 + Xonotlite -43.38 47.96 91.34 Ca6Si6O17(OH)2 **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. diff --git a/mytest/sit_redox_101.sel b/mytest/sit_redox_101.sel index 0f093f79a..e66165bca 100644 --- a/mytest/sit_redox_101.sel +++ b/mytest/sit_redox_101.sel @@ -1,11 +1,11 @@ Mu SC - 0.626716155601 0.0000000000 - 0.657342224675 0.0000000000 - 0.691326863600 0.0000000000 - 0.729581027250 0.0000000000 - 0.772974786975 0.0000000000 - 0.822633314572 0.0000000000 - 0.880038049604 0.0000000000 - 0.947180226070 0.0000000000 - 1.026801397754 0.0000000000 - 1.122784419375 0.0000000000 + 0.625064280300 0.0000000000 + 0.655630067692 0.0000000000 + 0.689540162267 0.0000000000 + 0.727711416057 0.0000000000 + 0.771012604627 0.0000000000 + 0.820567427782 0.0000000000 + 0.877855731867 0.0000000000 + 0.944867229846 0.0000000000 + 1.024342485432 0.0000000000 + 1.120165164862 0.0000000000 diff --git a/mytest/test_sit.out b/mytest/test_sit.out index a7eca52d7..d876e0169 100644 --- a/mytest/test_sit.out +++ b/mytest/test_sit.out @@ -1,4 +1,3 @@ -WARNING: Database file from DATABASE keyword is used; command line argument ignored. Input file: test_sit Output file: test_sit.out Database file: ../database/sit.dat @@ -46,59 +45,57 @@ Initial solution 1. ----------------------------Description of solution---------------------------- - pH = -0.336 Charge balance + pH = -0.592 Charge balance pe = 4.000 - Activity of water = 0.899 - Ionic strength (mol/kgw) = 2.084e+00 + Activity of water = 0.866 + Ionic strength (mol/kgw) = 3.001e+00 Mass of water (kg) = 1.000e+00 Total alkalinity (eq/kg) = -3.000e+00 Temperature (°C) = 25.00 - Electrical balance (eq) = -9.304e-16 + Electrical balance (eq) = -3.519e-16 Percent error, 100*(Cat-|An|)/(Cat+|An|) = -0.00 - Iterations = 10 + Iterations = 11 Gamma iterations = 4 - Osmotic coefficient = 1.16128 - Total H = 1.140198e+02 - Total O = 5.551291e+01 + Osmotic coefficient = 1.32634 + Total H = 1.140174e+02 + Total O = 5.551168e+01 ----------------------------Distribution of species---------------------------- Log Log Log mole V Species Molality Activity Molality Activity Gamma cm³/mol - H+ 2.083e+00 2.169e+00 0.319 0.336 0.017 0.00 - OH- 7.083e-15 4.146e-15 -14.150 -14.382 -0.233 (0) - H2O 5.551e+01 8.991e-01 1.744 -0.046 0.000 18.07 + H+ 3.000e+00 3.905e+00 0.477 0.592 0.115 0.00 + OH- 3.905e-15 2.218e-15 -14.408 -14.654 -0.246 (0) + H2O 5.551e+01 8.664e-01 1.744 -0.062 0.000 18.07 Cl 3.000e+00 - Cl- 2.083e+00 2.168e+00 0.319 0.336 0.017 (0) - HCl 9.168e-01 9.168e-01 -0.038 -0.038 -0.000 (0) - Cl2 2.899e-39 2.899e-39 -38.538 -38.538 0.000 (0) - ClO4- 0.000e+00 0.000e+00 -158.687 -158.628 0.059 (0) -H(0) 7.824e-11 - H2 3.912e-11 3.912e-11 -10.408 -10.408 0.000 (0) + Cl- 3.000e+00 3.905e+00 0.477 0.592 0.114 (0) + Cl2 9.401e-39 9.401e-39 -38.027 -38.027 0.000 (0) + ClO4- 0.000e+00 0.000e+00 -160.355 -160.181 0.174 (0) +H(0) 2.537e-10 + H2 1.269e-10 1.269e-10 -9.897 -9.897 0.000 (0) K 1.000e-03 - K+ 1.000e-03 5.852e-04 -3.000 -3.233 -0.233 (0) + K+ 1.000e-03 5.680e-04 -3.000 -3.246 -0.246 (0) N(5) 1.000e-03 - NO3- 1.000e-03 8.187e-04 -3.000 -3.087 -0.087 (0) -O(0) 2.899e-39 - Cl2 2.899e-39 2.899e-39 -38.538 -38.538 0.000 (0) - O2 0.000e+00 0.000e+00 -71.417 -71.417 0.000 (0) - ClO4- 0.000e+00 0.000e+00 -158.687 -158.628 0.059 (0) + NO3- 1.000e-03 9.212e-04 -3.000 -3.036 -0.036 (0) +O(0) 0.000e+00 + O2 0.000e+00 0.000e+00 -72.481 -72.481 0.000 (0) ------------------------------Saturation indices------------------------------- Phase SI** log IAP log K(298 K, 1 atm) - Cl2(g) -37.31 -34.32 2.99 Cl2 - H2(g) -7.33 35.66 42.99 H2 - H2O(g) -1.55 -0.05 1.50 H2O - HCl(g) -5.62 0.67 6.29 HCl - K(cr) -56.72 14.26 70.99 K - K(NO3)(s) -6.22 -6.32 -0.10 K(NO3) - K(OH)(s) -28.22 -3.62 24.60 K(OH) - K2O(s) -91.29 -7.18 84.11 K2O - O2(g) -68.52 -71.42 -2.90 O2 - Sylvite -3.77 -2.90 0.87 KCl + Cl2(g) -36.80 9.18 45.98 Cl2 + H2(g) -6.82 -6.82 0.00 H2 + H2O(g) -1.56 -43.06 -41.50 H2O + HCl(g) -5.11 1.18 6.29 HCl + K(cr) -56.74 -7.25 49.49 K + K(NO3)(s) -6.18 -6.28 -0.10 K(NO3) + K(OH)(s) -28.50 -3.90 24.60 K(OH) + K2O(s) -91.85 -7.74 84.11 K2O + N2(g) 171.85 -38.60 -210.45 N2 + O2(g) -69.58 -72.48 -2.90 O2 + Sylvite -3.52 -2.65 0.87 KCl **For a gas, SI = log10(fugacity). Fugacity = pressure * phi / 1 atm. For ideal gases, phi = 1. diff --git a/mytest/test_sit_101.sel b/mytest/test_sit_101.sel index f00b27f8c..29544bd5a 100644 --- a/mytest/test_sit_101.sel +++ b/mytest/test_sit_101.sel @@ -1,2 +1,2 @@ Mu SC - 2.084181197872 0.0000000000 + 3.001000000000 0.0000000000 From 23926575406667f9d24e0da7ed5e92c71245b2ea Mon Sep 17 00:00:00 2001 From: David Parkhurst Date: Sat, 18 May 2024 15:07:13 -0600 Subject: [PATCH 5/6] Tony revised latest sit with lsp --- database/sit.dat | 21602 +++++++++++++++++++++++---------------------- 1 file changed, 10802 insertions(+), 10800 deletions(-) diff --git a/database/sit.dat b/database/sit.dat index adc5ecda0..2e019ce21 100644 --- a/database/sit.dat +++ b/database/sit.dat @@ -1,10 +1,12 @@ + +SOLUTION_SPECIES # PHREEQC database # Thermodynamic database ANDRA - NWS - ONDRAF THERMO_CHIMIE (www.thermochimie-tdb.com) # Version 12a # Name : ThermoChimie project # Database date: 22/08/2023 0:00:00 # Generated by XCheck Tool v5.2.0 -# Comment: +# Comment: tidied with lsp.exe from https://phreeplot.org/lsp/lsp.html SOLUTION_MASTER_SPECIES #element species alk gfw_formula element_gfw @@ -749,13567 +751,13567 @@ ZrNO3+3 ClO4- 0.880 SOLUTION_SPECIES -+1.000Acetate- = Acetate- - log_k +0.00 +Acetate- = Acetate- + log_k 0 # Enthalpy of formation: -486.010 kJ/mol 82WAG/EVA - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Adipate-2 = Adipate-2 - log_k +0.00 - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Adipate-2 = Adipate-2 + log_k 0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Ag+ = Ag+ - log_k +0.00 +Ag+ = Ag+ + log_k 0 # Enthalpy of formation: +105.790 kJ/mol 95SIL/BID - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 = Al+3 - log_k +0.00 +Al+3 = Al+3 + log_k 0 # Enthalpy of formation: -538.400 kJ/mol 95POK/HEL - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Am+3 = Am+3 - log_k +0.00 +Am+3 = Am+3 + log_k 0 # Enthalpy of formation: -616.700 kJ/mol 95SIL/BID - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000AsO4-3 = AsO4-3 - log_k +0.00 +AsO4-3 = AsO4-3 + log_k 0 # Enthalpy of formation: -888.140 kJ/mol 09RAN/FUG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000B(OH)4- = B(OH)4- - log_k +0.00 +B(OH)4- = B(OH)4- + log_k 0 # Enthalpy of formation: -1345.116 kJ/mol 99RAR/RAN - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Ba+2 = Ba+2 - log_k +0.00 +Ba+2 = Ba+2 + log_k 0 # Enthalpy of formation: -534.800 kJ/mol 95SIL/BID - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Be+2 = Be+2 - log_k +0.00 +Be+2 = Be+2 + log_k 0 # Enthalpy of formation: -382.800 kJ/mol 89COX/WAG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Br- = Br- - log_k +0.00 +Br- = Br- + log_k 0 # Enthalpy of formation: -121.410 kJ/mol 95SIL/BID - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Ca+2 = Ca+2 - log_k +0.00 +Ca+2 = Ca+2 + log_k 0 # Enthalpy of formation: -543.000 kJ/mol 89COX/WAG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Cd+2 = Cd+2 - log_k +0.00 +Cd+2 = Cd+2 + log_k 0 # Enthalpy of formation: -75.920 kJ/mol 89COX/WAG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Cit-3 = Cit-3 - log_k +0.00 +Cit-3 = Cit-3 + log_k 0 # Enthalpy of formation: -1519.920 kJ/mol 05HUM/AND - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Cl- = Cl- - log_k +0.00 +Cl- = Cl- + log_k 0 # Enthalpy of formation: -167.080 kJ/mol 89COX/WAG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Cm+3 = Cm+3 - log_k +0.00 +Cm+3 = Cm+3 + log_k 0 # Enthalpy of formation: -615.000 kJ/mol 01KON2 - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Co+2 = Co+2 - log_k +0.00 +Co+2 = Co+2 + log_k 0 # Enthalpy of formation: -57.600 kJ/mol 98PLY/ZHA1 - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000CO3-2 = CO3-2 - log_k +0.00 +CO3-2 = CO3-2 + log_k 0 # Enthalpy of formation: -675.230 kJ/mol 89COX/WAG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000CrO4-2 = CrO4-2 - log_k +0.00 -# Enthalpy of formation: -879.000 kJ/mol - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +CrO4-2 = CrO4-2 + log_k 0 +# Enthalpy of formation: -879.000 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Cs+ = Cs+ - log_k +0.00 +Cs+ = Cs+ + log_k 0 # Enthalpy of formation: -258.000 kJ/mol 95SIL/BID - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Cu+2 = Cu+2 - log_k +0.00 +Cu+2 = Cu+2 + log_k 0 # Enthalpy of formation: +64.900 kJ/mol 92GRE/FUG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000e- = e- - log_k +0.00 +e- = e- + log_k 0 # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Edta-4 = Edta-4 - log_k +0.00 +Edta-4 = Edta-4 + log_k 0 # Enthalpy of formation: -1704.800 kJ/mol 05HUM/AND - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Eu+3 = Eu+3 - log_k +0.00 -# Enthalpy of formation: -605.325 kJ/mol - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Eu+3 = Eu+3 + log_k 0 +# Enthalpy of formation: -605.325 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000F- = F- - log_k +0.00 +F- = F- + log_k 0 # Enthalpy of formation: -335.350 kJ/mol 95SIL/BID - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Fe+2 = Fe+2 - log_k +0.00 +Fe+2 = Fe+2 + log_k 0 # Enthalpy of formation: -90.295 kJ/mol 13LEM/BER - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000H+ = H+ - log_k +0.00 +H+ = H+ + log_k 0 # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000H2(PO4)- = H2(PO4)- - log_k +0.00 +H2(PO4)- = H2(PO4)- + log_k 0 # Enthalpy of formation: -1302.600 kJ/mol 89COX/WAG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000H2O = H2O - log_k +0.00 +H2O = H2O + log_k 0 # Enthalpy of formation: -285.830 kJ/mol 89COX/WAG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000H4(SiO4) = H4(SiO4) - log_k +0.00 -# Enthalpy of formation: -1461.194 kJ/mol - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +H4(SiO4) = H4(SiO4) + log_k 0 +# Enthalpy of formation: -1461.194 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Hf+4 = Hf+4 - log_k +0.00 +Hf+4 = Hf+4 + log_k 0 # Enthalpy of formation: -628.910 kJ/mol 99VAS/LYT - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Hg+2 = Hg+2 - log_k +0.00 +Hg+2 = Hg+2 + log_k 0 # Enthalpy of formation: +170.210 kJ/mol 89COX/WAG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000HGlu- = HGlu- - log_k +0.00 - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +HGlu- = HGlu- + log_k 0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000HIsa- = HIsa- - log_k +0.00 - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +HIsa- = HIsa- + log_k 0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Ho+3 = Ho+3 - log_k +0.00 -# Enthalpy of formation: -707.042 kJ/mol - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ho+3 = Ho+3 + log_k 0 +# Enthalpy of formation: -707.042 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000I- = I- - log_k +0.00 +I- = I- + log_k 0 # Enthalpy of formation: -56.780 kJ/mol 92GRE/FUG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000K+ = K+ - log_k +0.00 +K+ = K+ + log_k 0 # Enthalpy of formation: -252.140 kJ/mol 89COX/WAG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Li+ = Li+ - log_k +0.00 +Li+ = Li+ + log_k 0 # Enthalpy of formation: -278.470 kJ/mol 92GRE/FUG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Malonate-2 = Malonate-2 - log_k +0.00 - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Malonate-2 = Malonate-2 + log_k 0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Mg+2 = Mg+2 - log_k +0.00 +Mg+2 = Mg+2 + log_k 0 # Enthalpy of formation: -467.000 kJ/mol 89COX/WAG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Mn+2 = Mn+2 - log_k +0.00 +Mn+2 = Mn+2 + log_k 0 # Enthalpy of formation: -220.800 kJ/mol 95ROB/HEM - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000MoO4-2 = MoO4-2 - log_k +0.00 +MoO4-2 = MoO4-2 + log_k 0 # Enthalpy of formation: -997.000 kJ/mol 74OHA - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Na+ = Na+ - log_k +0.00 +Na+ = Na+ + log_k 0 # Enthalpy of formation: -240.340 kJ/mol 92GRE/FUG (89COX/WAG) - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Nb(OH)6- = Nb(OH)6- - log_k +0.00 -# Enthalpy of formation: -1925.658 kJ/mol - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Nb(OH)6- = Nb(OH)6- + log_k 0 +# Enthalpy of formation: -1925.658 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Ni+2 = Ni+2 - log_k +0.00 +Ni+2 = Ni+2 + log_k 0 # Enthalpy of formation: -55.012 kJ/mol 05GAM/BUG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000NO3- = NO3- - log_k +0.00 +NO3- = NO3- + log_k 0 # Enthalpy of formation: -206.850 kJ/mol 92GRE/FUG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000NpO2+2 = NpO2+2 - log_k +0.00 +NpO2+2 = NpO2+2 + log_k 0 # Enthalpy of formation: -860.733 kJ/mol 01LEM/FUG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Nta-3 = Nta-3 - log_k +0.00 - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Nta-3 = Nta-3 + log_k 0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Ox-2 = Ox-2 - log_k +0.00 +Ox-2 = Ox-2 + log_k 0 # Enthalpy of formation: -830.660 kJ/mol 05HUM/AND - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Pa+4 = Pa+4 - log_k +0.00 +Pa+4 = Pa+4 + log_k 0 # Enthalpy of formation: -620.000 kJ/mol 85BAR/PAR - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Pb+2 = Pb+2 - log_k +0.00 +Pb+2 = Pb+2 + log_k 0 # Enthalpy of formation: +0.920 kJ/mol 89COX/WAG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Pd+2 = Pd+2 - log_k +0.00 -# Enthalpy of formation: +189.889 kJ/mol - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Pd+2 = Pd+2 + log_k 0 +# Enthalpy of formation: +189.889 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Phthalat-2 = Phthalat-2 - log_k +0.00 - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Phthalat-2 = Phthalat-2 + log_k 0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000PuO2+2 = PuO2+2 - log_k +0.00 +PuO2+2 = PuO2+2 + log_k 0 # Enthalpy of formation: -822.036 kJ/mol 01LEM/FUG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Pyrophos-4 = Pyrophos-4 - log_k +0.00 - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Pyrophos-4 = Pyrophos-4 + log_k 0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Ra+2 = Ra+2 - log_k +0.00 -# Enthalpy of formation: -528.025 kJ/mol - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ra+2 = Ra+2 + log_k 0 +# Enthalpy of formation: -528.025 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Rb+ = Rb+ - log_k +0.00 +Rb+ = Rb+ + log_k 0 # Enthalpy of formation: -251.120 kJ/mol 92GRE/FUG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Sb(OH)3 = Sb(OH)3 - log_k +0.00 -# Enthalpy of formation: -773.893 kJ/mol - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Sb(OH)3 = Sb(OH)3 + log_k 0 +# Enthalpy of formation: -773.893 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000SeO4-2 = SeO4-2 - log_k +0.00 +SeO4-2 = SeO4-2 + log_k 0 # Enthalpy of formation: -603.500 kJ/mol 05OLI/NOL - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Sm+3 = Sm+3 - log_k +0.00 -# Enthalpy of formation: -691.198 kJ/mol - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Sm+3 = Sm+3 + log_k 0 +# Enthalpy of formation: -691.198 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Sn+2 = Sn+2 - log_k +0.00 +Sn+2 = Sn+2 + log_k 0 # Enthalpy of formation: -9.617 kJ/mol 12GAM/GAJ - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000SO4-2 = SO4-2 - log_k +0.00 +SO4-2 = SO4-2 + log_k 0 # Enthalpy of formation: -909.340 kJ/mol 89COX/WAG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Sr+2 = Sr+2 - log_k +0.00 +Sr+2 = Sr+2 + log_k 0 # Enthalpy of formation: -550.900 kJ/mol 84BUS/PLUS - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Suberate-2 = Suberate-2 - log_k +0.00 - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Suberate-2 = Suberate-2 + log_k 0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Succinat-2 = Succinat-2 - log_k +0.00 - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Succinat-2 = Succinat-2 + log_k 0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000TcO(OH)2 = TcO(OH)2 - log_k +0.00 -# Enthalpy of formation: -749.243 kJ/mol - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +TcO(OH)2 = TcO(OH)2 + log_k 0 +# Enthalpy of formation: -749.243 kJ/mol + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Th+4 = Th+4 - log_k +0.00 +Th+4 = Th+4 + log_k 0 # Enthalpy of formation: -768.700 kJ/mol 09RAN/FUG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000UO2+2 = UO2+2 - log_k +0.00 +UO2+2 = UO2+2 + log_k 0 # Enthalpy of formation: -1019.000 kJ/mol 92GRE/FUG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Zn+2 = Zn+2 - log_k +0.00 +Zn+2 = Zn+2 + log_k 0 # Enthalpy of formation: -153.390 kJ/mol 92GRE/FUG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Zr+4 = Zr+4 - log_k +0.00 +Zr+4 = Zr+4 + log_k 0 # Enthalpy of formation: -608.500 kJ/mol 05BRO/CUR - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Am+3 +1.000e- = Am+2 - log_k -38.88 #95SIL/BID - delta_h +262.076 #kJ/mol -# Enthalpy of formation: -354.624 kJ/mol - -analytic 70.33744E-1 00.00000E+0 -13.68918E+3 00.00000E+0 00.00000E+0 +Am+3 + e- = Am+2 + log_k -38.88 #95SIL/BID + delta_h 262.076 #kJ/mol +# Enthalpy of formation: -354.624 kJ/mol + -analytic 70.33744E-1 00E+0 -13.68918E+3 00E+0 00E+0 -+1.000Am+3 -1.000e- = Am+4 - log_k -44.21 - delta_h +210.700 #kJ/mol +Am+3 - e- = Am+4 + log_k -44.21 + delta_h 210.7 #kJ/mol # Enthalpy of formation: -406.000 kJ/mol 95SIL/BID - -analytic -72.96945E-1 00.00000E+0 -11.00563E+3 00.00000E+0 00.00000E+0 - --4.000H+ +1.000Am+3 -2.000e- +2.000H2O = AmO2+ - log_k -58.37 - delta_h +384.100 #kJ/mol 95SIL/BID -# Enthalpy of formation: -804.260 kJ/mol - -analytic 89.21431E-1 00.00000E+0 -20.06294E+3 00.00000E+0 00.00000E+0 - --4.000H+ +1.000Am+3 -3.000e- +2.000H2O = AmO2+2 - log_k -85.35 - delta_h +537.600 #kJ/mol 95SIL/BID -# Enthalpy of formation: -650.760 kJ/mol - -analytic 88.33477E-1 00.00000E+0 -28.08080E+3 00.00000E+0 00.00000E+0 - -+10.000H+ +8.000e- +1.000CO3-2 -3.000H2O = CH4 - log_k +37.93 - delta_h -270.166 #kJ/mol + -analytic -72.96945E-1 00E+0 -11.00563E+3 00E+0 00E+0 + +- 4 H+ + Am+3 - 2 e- + 2 H2O = AmO2+ + log_k -58.37 + delta_h 384.1 #kJ/mol 95SIL/BID +# Enthalpy of formation: -804.260 kJ/mol + -analytic 89.21431E-1 00E+0 -20.06294E+3 00E+0 00E+0 + +- 4 H+ + Am+3 - 3 e- + 2 H2O = AmO2+2 + log_k -85.35 + delta_h 537.6 #kJ/mol 95SIL/BID +# Enthalpy of formation: -650.760 kJ/mol + -analytic 88.33477E-1 00E+0 -28.0808E+3 00E+0 00E+0 + +10 H+ + 8 e- + CO3-2 - 3 H2O = CH4 + log_k 37.93 + delta_h -270.166 #kJ/mol # Enthalpy of formation: -87.906 kJ/mol 01SCH/SHO - -analytic -94.01051E-1 00.00000E+0 14.11175E+3 00.00000E+0 00.00000E+0 + -analytic -94.01051E-1 00E+0 14.11175E+3 00E+0 00E+0 -+8.000H+ +4.000e- +1.000CrO4-2 -4.000H2O = Cr+2 - log_k +67.22 #04CHI - delta_h -421.933 #kJ/mol -# Enthalpy of formation: -157.614 kJ/mol - -analytic -66.99489E-1 00.00000E+0 22.03910E+3 00.00000E+0 00.00000E+0 +8 H+ + 4 e- + CrO4-2 - 4 H2O = Cr+2 + log_k 67.22 #04CHI + delta_h -421.933 #kJ/mol +# Enthalpy of formation: -157.614 kJ/mol + -analytic -66.99489E-1 00E+0 22.0391E+3 00E+0 00E+0 -+8.000H+ +3.000e- +1.000CrO4-2 -4.000H2O = Cr+3 - log_k +73.62 - delta_h -504.820 #kJ/mol +8 H+ + 3 e- + CrO4-2 - 4 H2O = Cr+3 + log_k 73.62 + delta_h -504.82 #kJ/mol # Enthalpy of formation: -240.500 kJ/mol 04CHI - -analytic -14.82067E+0 00.00000E+0 26.36859E+3 00.00000E+0 00.00000E+0 + -analytic -14.82067E+0 00E+0 26.36859E+3 00E+0 00E+0 -+1.000Cu+2 +1.000e- = Cu+ - log_k +2.83 #80CIA/FER - delta_h +5.689 #kJ/mol -# Enthalpy of formation: +70.589 kJ/mol - -analytic 38.26670E-1 00.00000E+0 -29.71572E+1 00.00000E+0 00.00000E+0 +Cu+2 + e- = Cu+ + log_k 2.83 #80CIA/FER + delta_h 5.689 #kJ/mol +# Enthalpy of formation: +70.589 kJ/mol + -analytic 38.2667E-1 00E+0 -29.71572E+1 00E+0 00E+0 -+1.000Eu+3 +1.000e- = Eu+2 - log_k -5.97 - delta_h +77.723 #kJ/mol +Eu+3 + e- = Eu+2 + log_k -5.97 + delta_h 77.723 #kJ/mol # Enthalpy of formation: -527.602 kJ/mol 92JOH/OEL - -analytic 76.46485E-1 00.00000E+0 -40.59755E+2 00.00000E+0 00.00000E+0 + -analytic 76.46485E-1 00E+0 -40.59755E+2 00E+0 00E+0 -+1.000Fe+2 -1.000e- = Fe+3 - log_k -13.05 - delta_h +40.239 #kJ/mol +Fe+2 - e- = Fe+3 + log_k -13.05 + delta_h 40.239 #kJ/mol # Enthalpy of formation: -50.056 kJ/mol 13LEM/BER - -analytic -60.00430E-1 00.00000E+0 -21.01829E+2 00.00000E+0 00.00000E+0 + -analytic -60.0043E-1 00E+0 -21.01829E+2 00E+0 00E+0 -+2.000H+ +2.000e- = H2 - log_k -3.08 - delta_h -4.200 #kJ/mol +2 H+ + 2 e- = H2 + log_k -3.08 + delta_h -4.2 #kJ/mol # Enthalpy of formation: -4.200 kJ/mol 82WAG/EVA - -analytic -38.15808E-1 00.00000E+0 21.93813E+1 00.00000E+0 00.00000E+0 + -analytic -38.15808E-1 00E+0 21.93813E+1 00E+0 00E+0 -+5.000H+ +2.000e- +1.000AsO4-3 -1.000H2O = H3(AsO3) - log_k +40.02 - delta_h -139.890 #kJ/mol +5 H+ + 2 e- + AsO4-3 - H2O = H3(AsO3) + log_k 40.02 + delta_h -139.89 #kJ/mol # Enthalpy of formation: -742.200 kJ/mol 09RAN/FUG - -analytic 15.51232E+0 00.00000E+0 73.06964E+2 00.00000E+0 00.00000E+0 + -analytic 15.51232E+0 00E+0 73.06964E+2 00E+0 00E+0 -+2.000e- +2.000Hg+2 = Hg2+2 - log_k +30.79 - delta_h -173.600 #kJ/mol +2 e- + 2 Hg+2 = Hg2+2 + log_k 30.79 + delta_h -173.6 #kJ/mol # Enthalpy of formation: +166.820 kJ/mol 85BAR/PAR - -analytic 37.65855E-2 00.00000E+0 90.67760E+2 00.00000E+0 00.00000E+0 + -analytic 37.65855E-2 00E+0 90.6776E+2 00E+0 00E+0 -+9.000H+ +8.000e- +1.000SO4-2 -4.000H2O = HS- - log_k +33.69 - delta_h -250.280 #kJ/mol +9 H+ + 8 e- + SO4-2 - 4 H2O = HS- + log_k 33.69 + delta_h -250.28 #kJ/mol # Enthalpy of formation: -16.300 kJ/mol 89COX/WAG - -analytic -10.15717E+0 00.00000E+0 13.07303E+3 00.00000E+0 00.00000E+0 + -analytic -10.15717E+0 00E+0 13.07303E+3 00E+0 00E+0 -+9.000H+ +8.000e- +1.000SeO4-2 -4.000H2O = HSe- - log_k +81.57 - delta_h -525.520 #kJ/mol +9 H+ + 8 e- + SeO4-2 - 4 H2O = HSe- + log_k 81.57 + delta_h -525.52 #kJ/mol # Enthalpy of formation: +14.300 kJ/mol 05OLI/NOL - -analytic -10.49715E+0 00.00000E+0 27.44982E+3 00.00000E+0 00.00000E+0 + -analytic -10.49715E+0 00E+0 27.44982E+3 00E+0 00E+0 --6.000H+ -6.000e- +1.000I- +3.000H2O = IO3- - log_k -111.56 - delta_h +694.570 #kJ/mol +- 6 H+ - 6 e- + I- + 3 H2O = IO3- + log_k -111.56 + delta_h 694.57 #kJ/mol # Enthalpy of formation: -219.700 kJ/mol 92GRE/FUG - -analytic 10.12344E+0 00.00000E+0 -36.27992E+3 00.00000E+0 00.00000E+0 + -analytic 10.12344E+0 00E+0 -36.27992E+3 00E+0 00E+0 -+9.000H+ +8.000e- +1.000NO3- -3.000H2O = NH3 - log_k +109.90 - delta_h -731.810 #kJ/mol +9 H+ + 8 e- + NO3- - 3 H2O = NH3 + log_k 109.9 + delta_h -731.81 #kJ/mol # Enthalpy of formation: -81.170 kJ/mol 95SIL/BID - -analytic -18.30761E+0 00.00000E+0 38.22510E+3 00.00000E+0 00.00000E+0 + -analytic -18.30761E+0 00E+0 38.2251E+3 00E+0 00E+0 -+1.000Np+4 +1.000e- = Np+3 - log_k +3.70 - delta_h +28.838 #kJ/mol +Np+4 + e- = Np+3 + log_k 3.7 + delta_h 28.838 #kJ/mol # Enthalpy of formation: -527.184 kJ/mol 01LEM/FUG - -analytic 87.52201E-1 00.00000E+0 -15.06314E+2 00.00000E+0 00.00000E+0 + -analytic 87.52201E-1 00E+0 -15.06314E+2 00E+0 00E+0 -+1.000NpO2+ +4.000H+ +1.000e- -2.000H2O = Np+4 - log_k +10.21 - delta_h -149.501 #kJ/mol +NpO2+ + 4 H+ + e- - 2 H2O = Np+4 + log_k 10.21 + delta_h -149.501 #kJ/mol # Enthalpy of formation: -556.022 kJ/mol 03GUI/FAN - -analytic -15.98145E+0 00.00000E+0 78.08981E+2 00.00000E+0 00.00000E+0 + -analytic -15.98145E+0 00E+0 78.08981E+2 00E+0 00E+0 -+1.000NpO2+2 +1.000e- = NpO2+ - log_k +19.59 - delta_h -117.448 #kJ/mol +NpO2+2 + e- = NpO2+ + log_k 19.59 + delta_h -117.448 #kJ/mol # Enthalpy of formation: -978.181 kJ/mol 01LEM/FUG - -analytic -98.60064E-2 00.00000E+0 61.34736E+2 00.00000E+0 00.00000E+0 + -analytic -98.60064E-2 00E+0 61.34736E+2 00E+0 00E+0 --4.000H+ -4.000e- +2.000H2O = O2 - log_k -85.99 - delta_h +559.526 #kJ/mol +- 4 H+ - 4 e- + 2 H2O = O2 + log_k -85.99 + delta_h 559.526 #kJ/mol # Enthalpy of formation: -12.134 kJ/mol 89SHO/HEL (Uncertainty in order to cover available data) - -analytic 12.03475E+0 00.00000E+0 -29.22608E+3 00.00000E+0 00.00000E+0 + -analytic 12.03475E+0 00E+0 -29.22608E+3 00E+0 00E+0 --4.000H+ -1.000e- +1.000Pa+4 +2.000H2O = PaO2+ - log_k +4.22 #85BAR/PAR, 76BAE/MES - -analytic 42.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +- 4 H+ - e- + Pa+4 + 2 H2O = PaO2+ + log_k 4.22 #85BAR/PAR, 76BAE/MES + -analytic 42.2E-1 00E+0 00E+0 00E+0 00E+0 -+1.000Pu+4 +1.000e- = Pu+3 - log_k +17.69 - delta_h -51.895 #kJ/mol +Pu+4 + e- = Pu+3 + log_k 17.69 + delta_h -51.895 #kJ/mol # Enthalpy of formation: -591.790 kJ/mol 01LEM/FUG - -analytic 85.98386E-1 00.00000E+0 27.10665E+2 00.00000E+0 00.00000E+0 + -analytic 85.98386E-1 00E+0 27.10665E+2 00E+0 00E+0 -+1.000PuO2+ +4.000H+ +1.000e- -2.000H2O = Pu+4 - log_k +17.45 - delta_h -201.428 #kJ/mol +PuO2+ + 4 H+ + e- - 2 H2O = Pu+4 + log_k 17.45 + delta_h -201.428 #kJ/mol # Enthalpy of formation: -539.895 kJ/mol 01LEM/FUG - -analytic -17.83867E+0 00.00000E+0 10.52132E+3 00.00000E+0 00.00000E+0 + -analytic -17.83867E+0 00E+0 10.52132E+3 00E+0 00E+0 -+1.000PuO2+2 +1.000e- = PuO2+ - log_k +15.82 - delta_h -88.091 #kJ/mol 01LEM/FUG -# Enthalpy of formation: -910.127 kJ/mol - -analytic 38.71193E-2 00.00000E+0 46.01313E+2 00.00000E+0 00.00000E+0 +PuO2+2 + e- = PuO2+ + log_k 15.82 + delta_h -88.091 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -910.127 kJ/mol + -analytic 38.71193E-2 00E+0 46.01313E+2 00E+0 00E+0 -+10.000H+ +8.000e- +2.000SO4-2 -5.000H2O = S2O3-2 - log_k +38.57 - delta_h -262.756 #kJ/mol +10 H+ + 8 e- + 2 SO4-2 - 5 H2O = S2O3-2 + log_k 38.57 + delta_h -262.756 #kJ/mol # Enthalpy of formation: -652.286 kJ/mol 04CHI - -analytic -74.62875E-1 00.00000E+0 13.72470E+3 00.00000E+0 00.00000E+0 + -analytic -74.62875E-1 00E+0 13.7247E+3 00E+0 00E+0 -+8.000H+ +6.000e- +2.000SO4-2 -4.000H2O = S2O4-2 - log_k +10.70 - delta_h -78.140 #kJ/mol +8 H+ + 6 e- + 2 SO4-2 - 4 H2O = S2O4-2 + log_k 10.7 + delta_h -78.14 #kJ/mol # Enthalpy of formation: -753.500 kJ/mol 82WAG/EVA - -analytic -29.89540E-1 00.00000E+0 40.81536E+2 00.00000E+0 00.00000E+0 + -analytic -29.8954E-1 00E+0 40.81536E+2 00E+0 00E+0 --2.000H+ -2.000e- +1.000Sb(OH)3 +2.000H2O = Sb(OH)5 - log_k -21.74 #99LOT/OCH recalculated - -analytic -21.74000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +- 2 H+ - 2 e- + Sb(OH)3 + 2 H2O = Sb(OH)5 + log_k -21.74 #99LOT/OCH recalculated + -analytic -21.74E+0 00E+0 00E+0 00E+0 00E+0 -+2.000H+ +2.000e- +1.000SeO4-2 -1.000H2O = SeO3-2 - log_k +28.04 #05OLI/NOL - delta_h -189.490 #kJ/mol +2 H+ + 2 e- + SeO4-2 - H2O = SeO3-2 + log_k 28.04 #05OLI/NOL + delta_h -189.49 #kJ/mol # Enthalpy of formation: -507.160 kJ/mol 05OLI/NOL - -analytic -51.57223E-1 00.00000E+0 98.97752E+2 00.00000E+0 00.00000E+0 + -analytic -51.57223E-1 00E+0 98.97752E+2 00E+0 00E+0 -+1.000Sn+2 -2.000e- = Sn+4 - log_k -12.98 #12GAM/GAJ; Eº=0.384V for Sn2+/Sn4+ reaction ( I=0) - delta_h -21.894 #kJ/mol -# Enthalpy of formation: -31.511 kJ/mol - -analytic -16.81566E+0 00.00000E+0 11.43603E+2 00.00000E+0 00.00000E+0 +Sn+2 - 2 e- = Sn+4 + log_k -12.98 #12GAM/GAJ; Eº = 0.384 VforSn2 + / Sn4 + reaction (I=0) + delta_h -21.894 #kJ/mol +# Enthalpy of formation: -31.511 kJ/mol + -analytic -16.81566E+0 00E+0 11.43603E+2 00E+0 00E+0 -+2.000H+ +2.000e- +1.000SO4-2 -1.000H2O = SO3-2 - log_k -3.62 - delta_h -7.550 #kJ/mol +2 H+ + 2 e- + SO4-2 - H2O = SO3-2 + log_k -3.62 + delta_h -7.55 #kJ/mol # Enthalpy of formation: -631.060 kJ/mol 85GOL/PAR - -analytic -49.42703E-1 00.00000E+0 39.43640E+1 00.00000E+0 00.00000E+0 + -analytic -49.42703E-1 00E+0 39.4364E+1 00E+0 00E+0 -+1.000TcO(OH)2 -4.000H+ -3.000e- +1.000H2O = TcO4- - log_k -30.17 - delta_h +305.673 #kJ/mol +TcO(OH)2 - 4 H+ - 3 e- + H2O = TcO4- + log_k -30.17 + delta_h 305.673 #kJ/mol # Enthalpy of formation: -729.400 kJ/mol 99RAR/RAN - -analytic 23.38161E+0 00.00000E+0 -15.96641E+3 00.00000E+0 00.00000E+0 + -analytic 23.38161E+0 00E+0 -15.96641E+3 00E+0 00E+0 -+1.000e- +1.000TcO4- = TcO4-2 - log_k -10.80 #20GRE/GAO - -analytic -10.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +e- + TcO4- = TcO4-2 + log_k -10.8 #20GRE/GAO + -analytic -10.8E+0 00E+0 00E+0 00E+0 00E+0 -+1.000U+4 +1.000e- = U+3 - log_k -9.35 #92GRE/FUG - delta_h +102.100 #kJ/mol 92GRE/FUG -# Enthalpy of formation: -489.100 kJ/mol - -analytic 85.37152E-1 00.00000E+0 -53.33054E+2 00.00000E+0 00.00000E+0 +U+4 + e- = U+3 + log_k -9.35 #92GRE/FUG + delta_h 102.1 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -489.100 kJ/mol + -analytic 85.37152E-1 00E+0 -53.33054E+2 00E+0 00E+0 -+1.000UO2+2 +4.000H+ +2.000e- -2.000H2O = U+4 - log_k +9.04 #92GRE/FUG - delta_h -143.860 #kJ/mol +UO2+2 + 4 H+ + 2 e- - 2 H2O = U+4 + log_k 9.04 #92GRE/FUG + delta_h -143.86 #kJ/mol # Enthalpy of formation: -591.200 kJ/mol 92GRE/FUG - -analytic -16.16319E+0 00.00000E+0 75.14331E+2 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000e- = UO2+ - log_k +1.48 - delta_h -6.127 #kJ/mol -# Enthalpy of formation: -1025.127 kJ/mol - -analytic 40.65957E-2 00.00000E+0 32.00355E+1 00.00000E+0 00.00000E+0 - --2.000H+ +2.000CH4 +1.000Hg+2 = (CH3)2Hg - log_k +19.00 #18BLA/BUR - -analytic 19.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --3.000H+ +2.000CH4 +1.000H2O +2.000Hg+2 = (CH3Hg)2OH+ - log_k +3.85 #18BLA/BUR - -analytic 38.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000NpO2+2 -2.000H+ +2.000H2O = (NpO2)2(OH)2+2 - log_k -6.27 #01LEM/FUG - delta_h +44.995 #kJ/mol -# Enthalpy of formation: -2248.130 kJ/mol - -analytic 16.12786E-1 00.00000E+0 -23.50253E+2 00.00000E+0 00.00000E+0 - -+2.000NpO2+2 -3.000H+ +1.000CO3-2 +3.000H2O = (NpO2)2CO3(OH)3- - log_k -1.78 #20GRE/GAO - -analytic -17.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+3.000NpO2+2 +6.000CO3-2 = (NpO2)3(CO3)6-6 - log_k +51.43 #20GRE/GAO - -analytic 51.43000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+3.000NpO2+2 -5.000H+ +5.000H2O = (NpO2)3(OH)5+ - log_k -17.12 #01LEM/FUG - delta_h +110.665 #kJ/mol -# Enthalpy of formation: -3900.682 kJ/mol - -analytic 22.67676E-1 00.00000E+0 -57.80436E+2 00.00000E+0 00.00000E+0 - -+2.000PuO2+2 -2.000H+ +2.000H2O = (PuO2)2(OH)2+2 - log_k -7.50 #01LEM/FUG - delta_h +43.583 #kJ/mol -# Enthalpy of formation: -2172.149 kJ/mol - -analytic 13.54138E-2 00.00000E+0 -22.76499E+2 00.00000E+0 00.00000E+0 - -+3.000PuO2+2 +6.000CO3-2 = (PuO2)3(CO3)6-6 - log_k +51.00 #20GRE/GAO - -analytic 51.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+11.000UO2+2 -12.000H+ +6.000CO3-2 +12.000H2O = (UO2)11(CO3)6(OH)12-2 - log_k +36.40 #03GUI/FAN - -analytic 36.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000UO2+2 -1.000H+ +1.000Cit-3 +1.000H2O = (UO2)2(Cit)(OH) - log_k +9.65 #12BER/CRE - -analytic 96.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000UO2+2 -2.000H+ +1.000Cit-3 +2.000H2O = (UO2)2(Cit)(OH)2- - log_k +5.30 #12BER/CRE - -analytic 53.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000UO2+2 -2.000H+ +2.000Cit-3 +2.000H2O = (UO2)2(Cit)2(OH)2-4 - log_k +9.29 #12BER/CRE - -analytic 92.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000UO2+2 -1.000H+ +2.000Cit-3 +1.000H2O = (UO2)2(Cit)2(OH)-3 - log_k +16.04 #12BER/CRE - -analytic 16.04000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000UO2+2 +2.000Cit-3 = (UO2)2(Cit)2-2 - log_k +21.30 #05HUM/AND - -analytic 21.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000UO2+2 -3.000H+ +1.000CO3-2 +3.000H2O = (UO2)2(CO3)(OH)3- - log_k -0.86 #03GUI/FAN - -analytic -86.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000UO2+2 +1.000Edta-4 = (UO2)2(Edta) - log_k +20.60 #05HUM/AND - -analytic 20.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000UO2+2 +1.000NpO2+2 +6.000CO3-2 = (UO2)2(NpO2)(CO3)6-6 - log_k +53.59 #01LEM/FUG - -analytic 53.59000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000UO2+2 -1.000H+ +1.000H2O = (UO2)2(OH)+3 - log_k -2.70 #92GRE/FUG - delta_h +14.353 #kJ/mol -# Enthalpy of formation: -2309.477 kJ/mol - -analytic -18.54623E-2 00.00000E+0 -74.97094E+1 00.00000E+0 00.00000E+0 - -+2.000UO2+2 -2.000H+ +2.000H2O = (UO2)2(OH)2+2 - log_k -5.62 #20GRE/GAO - delta_h +47.800 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -2561.860 kJ/mol - -analytic 27.54201E-1 00.00000E+0 -24.96768E+2 00.00000E+0 00.00000E+0 - -+3.000UO2+2 -3.000H+ +1.000CO3-2 +3.000H2O = (UO2)3(CO3)(OH)3+ - log_k +0.66 #03GUI/FAN - delta_h +81.131 #kJ/mol -# Enthalpy of formation: -4508.589 kJ/mol - -analytic 14.87354E+0 00.00000E+0 -42.37767E+2 00.00000E+0 00.00000E+0 - -+3.000UO2+2 +6.000CO3-2 = (UO2)3(CO3)6-6 - log_k +54.00 #92GRE/FUG - delta_h -62.700 #kJ/mol 92GRE/FUG -# Enthalpy of formation: -7171.080 kJ/mol - -analytic 43.01543E+0 00.00000E+0 32.75049E+2 00.00000E+0 00.00000E+0 - -+3.000UO2+2 -4.000H+ +4.000H2O = (UO2)3(OH)4+2 - log_k -11.90 #92GRE/FUG - delta_h +99.200 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -4101.120 kJ/mol - -analytic 54.79094E-1 00.00000E+0 -51.81577E+2 00.00000E+0 00.00000E+0 - -+3.000UO2+2 -5.000H+ +5.000H2O = (UO2)3(OH)5+ - log_k -15.55 #92GRE/FUG - delta_h +120.700 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -4365.450 kJ/mol - -analytic 55.95732E-1 00.00000E+0 -63.04600E+2 00.00000E+0 00.00000E+0 - -+3.000UO2+2 -7.000H+ +7.000H2O = (UO2)3(OH)7- - log_k -32.20 #92SAN/BRU - delta_h +227.015 #kJ/mol -# Enthalpy of formation: -4830.794 kJ/mol - -analytic 75.71321E-1 00.00000E+0 -11.85782E+3 00.00000E+0 00.00000E+0 - -+4.000UO2+2 -7.000H+ +7.000H2O = (UO2)4(OH)7+ - log_k -21.90 #92GRE/FUG - -analytic -21.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ag+ +2.000CO3-2 = Ag(CO3)2-3 - log_k +2.16 #97SVE/SHO - delta_h -28.115 #kJ/mol -# Enthalpy of formation: -1272.786 kJ/mol - -analytic -27.65537E-1 00.00000E+0 14.68549E+2 00.00000E+0 00.00000E+0 - -+1.000Ag+ +1.000HS- = Ag(HS) - log_k +14.05 #74NAU/RYZ in 91BAL/NOR; Uncertainty to include available data. - delta_h -78.811 #kJ/mol -# Enthalpy of formation: +10.679 kJ/mol - -analytic 24.29055E-2 00.00000E+0 41.16585E+2 00.00000E+0 00.00000E+0 - -+1.000Ag+ +2.000HS- = Ag(HS)2- - log_k +18.45 #74NAU/RYZ in 91BAL/NOR; Uncertainty to include available data. - delta_h -105.805 #kJ/mol -# Enthalpy of formation: -32.615 kJ/mol - -analytic -86.24032E-3 00.00000E+0 55.26580E+2 00.00000E+0 00.00000E+0 - -+1.000Ag+ -1.000H+ +1.000H2O = Ag(OH) - log_k -12.00 #76BAE/MES - delta_h +47.198 #kJ/mol -# Enthalpy of formation: -132.842 kJ/mol - -analytic -37.31265E-1 00.00000E+0 -24.65323E+2 00.00000E+0 00.00000E+0 - -+1.000Ag+ -2.000H+ +2.000H2O = Ag(OH)2- - log_k -24.00 #76BAE/MES - delta_h +111.635 #kJ/mol -# Enthalpy of formation: -354.235 kJ/mol - -analytic -44.42388E-1 00.00000E+0 -58.31102E+2 00.00000E+0 00.00000E+0 - -+1.000Ag+ +1.000S2O3-2 = Ag(S2O3)- - log_k +9.23 #74BEL/MAR in 82HÖG - delta_h -58.994 #kJ/mol 74BEL/MAR in 82HÖG -# Enthalpy of formation: -605.490 kJ/mol - -analytic -11.05305E-1 00.00000E+0 30.81471E+2 00.00000E+0 00.00000E+0 - -+1.000Ag+ +2.000S2O3-2 = Ag(S2O3)2-3 - log_k +13.64 #72POU/RIG in 82HÖG - delta_h -86.918 #kJ/mol + -analytic -16.16319E+0 00E+0 75.14331E+2 00E+0 00E+0 + +UO2+2 + e- = UO2+ + log_k 1.48 + delta_h -6.127 #kJ/mol +# Enthalpy of formation: -1025.127 kJ/mol + -analytic 40.65957E-2 00E+0 32.00355E+1 00E+0 00E+0 + +- 2 H+ + 2 CH4 + Hg+2 = (CH3)2Hg + log_k 19 #18BLA/BUR + -analytic 19E+0 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ + 2 CH4 + H2O + 2 Hg+2 = (CH3Hg)2OH+ + log_k 3.85 #18BLA/BUR + -analytic 38.5E-1 00E+0 00E+0 00E+0 00E+0 + +2 NpO2+2 - 2 H+ + 2 H2O = (NpO2)2(OH)2+2 + log_k -6.27 #01LEM/FUG + delta_h 44.995 #kJ/mol +# Enthalpy of formation: -2248.130 kJ/mol + -analytic 16.12786E-1 00E+0 -23.50253E+2 00E+0 00E+0 + +2 NpO2+2 - 3 H+ + CO3-2 + 3 H2O = (NpO2)2CO3(OH)3- + log_k -1.78 #20GRE/GAO + -analytic -17.8E-1 00E+0 00E+0 00E+0 00E+0 + +3 NpO2+2 + 6 CO3-2 = (NpO2)3(CO3)6-6 + log_k 51.43 #20GRE/GAO + -analytic 51.43E+0 00E+0 00E+0 00E+0 00E+0 + +3 NpO2+2 - 5 H+ + 5 H2O = (NpO2)3(OH)5+ + log_k -17.12 #01LEM/FUG + delta_h 110.665 #kJ/mol +# Enthalpy of formation: -3900.682 kJ/mol + -analytic 22.67676E-1 00E+0 -57.80436E+2 00E+0 00E+0 + +2 PuO2+2 - 2 H+ + 2 H2O = (PuO2)2(OH)2+2 + log_k -7.5 #01LEM/FUG + delta_h 43.583 #kJ/mol +# Enthalpy of formation: -2172.149 kJ/mol + -analytic 13.54138E-2 00E+0 -22.76499E+2 00E+0 00E+0 + +3 PuO2+2 + 6 CO3-2 = (PuO2)3(CO3)6-6 + log_k 51 #20GRE/GAO + -analytic 51E+0 00E+0 00E+0 00E+0 00E+0 + +11 UO2+2 - 12 H+ + 6 CO3-2 + 12 H2O = (UO2)11(CO3)6(OH)12-2 + log_k 36.4 #03GUI/FAN + -analytic 36.4E+0 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 - H+ + Cit-3 + H2O = (UO2)2(Cit)(OH) + log_k 9.65 #12BER/CRE + -analytic 96.5E-1 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 - 2 H+ + Cit-3 + 2 H2O = (UO2)2(Cit)(OH)2- + log_k 5.3 #12BER/CRE + -analytic 53E-1 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 - 2 H+ + 2 Cit-3 + 2 H2O = (UO2)2(Cit)2(OH)2-4 + log_k 9.29 #12BER/CRE + -analytic 92.9E-1 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 - H+ + 2 Cit-3 + H2O = (UO2)2(Cit)2(OH)-3 + log_k 16.04 #12BER/CRE + -analytic 16.04E+0 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 + 2 Cit-3 = (UO2)2(Cit)2-2 + log_k 21.3 #05HUM/AND + -analytic 21.3E+0 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 - 3 H+ + CO3-2 + 3 H2O = (UO2)2(CO3)(OH)3- + log_k -0.86 #03GUI/FAN + -analytic -86E-2 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 + Edta-4 = (UO2)2(Edta) + log_k 20.6 #05HUM/AND + -analytic 20.6E+0 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 + NpO2+2 + 6 CO3-2 = (UO2)2(NpO2)(CO3)6-6 + log_k 53.59 #01LEM/FUG + -analytic 53.59E+0 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 - H+ + H2O = (UO2)2(OH)+3 + log_k -2.7 #92GRE/FUG + delta_h 14.353 #kJ/mol +# Enthalpy of formation: -2309.477 kJ/mol + -analytic -18.54623E-2 00E+0 -74.97094E+1 00E+0 00E+0 + +2 UO2+2 - 2 H+ + 2 H2O = (UO2)2(OH)2+2 + log_k -5.62 #20GRE/GAO + delta_h 47.8 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2561.860 kJ/mol + -analytic 27.54201E-1 00E+0 -24.96768E+2 00E+0 00E+0 + +3 UO2+2 - 3 H+ + CO3-2 + 3 H2O = (UO2)3(CO3)(OH)3+ + log_k 0.66 #03GUI/FAN + delta_h 81.131 #kJ/mol +# Enthalpy of formation: -4508.589 kJ/mol + -analytic 14.87354E+0 00E+0 -42.37767E+2 00E+0 00E+0 + +3 UO2+2 + 6 CO3-2 = (UO2)3(CO3)6-6 + log_k 54 #92GRE/FUG + delta_h -62.7 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -7171.080 kJ/mol + -analytic 43.01543E+0 00E+0 32.75049E+2 00E+0 00E+0 + +3 UO2+2 - 4 H+ + 4 H2O = (UO2)3(OH)4+2 + log_k -11.9 #92GRE/FUG + delta_h 99.2 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -4101.120 kJ/mol + -analytic 54.79094E-1 00E+0 -51.81577E+2 00E+0 00E+0 + +3 UO2+2 - 5 H+ + 5 H2O = (UO2)3(OH)5+ + log_k -15.55 #92GRE/FUG + delta_h 120.7 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -4365.450 kJ/mol + -analytic 55.95732E-1 00E+0 -63.046E+2 00E+0 00E+0 + +3 UO2+2 - 7 H+ + 7 H2O = (UO2)3(OH)7- + log_k -32.2 #92SAN/BRU + delta_h 227.015 #kJ/mol +# Enthalpy of formation: -4830.794 kJ/mol + -analytic 75.71321E-1 00E+0 -11.85782E+3 00E+0 00E+0 + +4 UO2+2 - 7 H+ + 7 H2O = (UO2)4(OH)7+ + log_k -21.9 #92GRE/FUG + -analytic -21.9E+0 00E+0 00E+0 00E+0 00E+0 + +Ag+ + 2 CO3-2 = Ag(CO3)2-3 + log_k 2.16 #97SVE/SHO + delta_h -28.115 #kJ/mol +# Enthalpy of formation: -1272.786 kJ/mol + -analytic -27.65537E-1 00E+0 14.68549E+2 00E+0 00E+0 + +Ag+ + HS- = Ag(HS) + log_k 14.05 #74NAU/RYZ in 91BAL/NOR; Uncertainty to include available data. + delta_h -78.811 #kJ/mol +# Enthalpy of formation: +10.679 kJ/mol + -analytic 24.29055E-2 00E+0 41.16585E+2 00E+0 00E+0 + +Ag+ + 2 HS- = Ag(HS)2- + log_k 18.45 #74NAU/RYZ in 91BAL/NOR; Uncertainty to include available data. + delta_h -105.805 #kJ/mol +# Enthalpy of formation: -32.615 kJ/mol + -analytic -86.24032E-3 00E+0 55.2658E+2 00E+0 00E+0 + +Ag+ - H+ + H2O = Ag(OH) + log_k -12 #76BAE/MES + delta_h 47.198 #kJ/mol +# Enthalpy of formation: -132.842 kJ/mol + -analytic -37.31265E-1 00E+0 -24.65323E+2 00E+0 00E+0 + +Ag+ - 2 H+ + 2 H2O = Ag(OH)2- + log_k -24 #76BAE/MES + delta_h 111.635 #kJ/mol +# Enthalpy of formation: -354.235 kJ/mol + -analytic -44.42388E-1 00E+0 -58.31102E+2 00E+0 00E+0 + +Ag+ + S2O3-2 = Ag(S2O3)- + log_k 9.23 #74BEL/MAR in 82HÖG + delta_h -58.994 #kJ/mol 74BEL/MAR in 82HÖG +# Enthalpy of formation: -605.490 kJ/mol + -analytic -11.05305E-1 00E+0 30.81471E+2 00E+0 00E+0 + +Ag+ + 2 S2O3-2 = Ag(S2O3)2-3 + log_k 13.64 #72POU/RIG in 82HÖG + delta_h -86.918 #kJ/mol # Enthalpy of formation: -1285.700 kJ/mol 82WAG/EVA - -analytic -15.87380E-1 00.00000E+0 45.40043E+2 00.00000E+0 00.00000E+0 - -+1.000Ag+ +1.000SeO3-2 = Ag(SeO3)- - log_k +3.20 #Data from 68MEH and 69MEH/GUB in 05OLI/NOL corrected to I=0 by DH - -analytic 32.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ag+ +1.000SO3-2 = Ag(SO3)- - log_k +5.43 - -analytic 54.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ag+ +1.000SO4-2 = Ag(SO4)- - log_k +1.38 - delta_h +4.645 #kJ/mol -# Enthalpy of formation: -798.904 kJ/mol - -analytic 21.93769E-1 00.00000E+0 -24.26252E+1 00.00000E+0 00.00000E+0 - -+1.000Ag+ +1.000Br- = AgBr - log_k +4.24 #91BAL/NOR, 68WAG - delta_h -23.129 #kJ/mol -# Enthalpy of formation: -38.748 kJ/mol - -analytic 18.79731E-2 00.00000E+0 12.08112E+2 00.00000E+0 00.00000E+0 - -+1.000Ag+ +2.000Br- = AgBr2- - log_k +7.28 #91BAL/NOR, 68WAG - delta_h -45.296 #kJ/mol -# Enthalpy of formation: -182.325 kJ/mol - -analytic -65.55186E-2 00.00000E+0 23.65975E+2 00.00000E+0 00.00000E+0 - -+1.000Ag+ +3.000Br- = AgBr3-2 - log_k +8.71 #91BAL/NOR, 68WAG - delta_h -66.741 #kJ/mol -# Enthalpy of formation: -325.180 kJ/mol - -analytic -29.82521E-1 00.00000E+0 34.86125E+2 00.00000E+0 00.00000E+0 - -+1.000Ag+ +1.000Cl- = AgCl - log_k +3.27 #91BAL/NOR; Uncertainty to include available data. - delta_h -17.100 #kJ/mol -# Enthalpy of formation: -78.390 kJ/mol - -analytic 27.42086E-2 00.00000E+0 89.31952E+1 00.00000E+0 00.00000E+0 - -+1.000Ag+ +2.000Cl- = AgCl2- - log_k +5.27 #91BAL/NOR; Uncertainty to include available data. - delta_h -28.754 #kJ/mol -# Enthalpy of formation: -257.124 kJ/mol - -analytic 23.25154E-2 00.00000E+0 15.01926E+2 00.00000E+0 00.00000E+0 - -+1.000Ag+ +3.000Cl- = AgCl3-2 - log_k +5.29 #91BAL/NOR; Uncertainty to include available data. - delta_h -29.167 #kJ/mol -# Enthalpy of formation: -424.616 kJ/mol - -analytic 18.01609E-2 00.00000E+0 15.23499E+2 00.00000E+0 00.00000E+0 - -+1.000Ag+ +4.000Cl- = AgCl4-3 - log_k +5.51 #91BAL/NOR; Uncertainty to include available data. - delta_h -26.099 #kJ/mol -# Enthalpy of formation: -588.628 kJ/mol - -analytic 93.76515E-2 00.00000E+0 13.63246E+2 00.00000E+0 00.00000E+0 - -+1.000Ag+ +1.000CO3-2 = AgCO3- - log_k +2.69 #97SVE/SHO - delta_h -22.838 #kJ/mol -# Enthalpy of formation: -592.278 kJ/mol - -analytic -13.11046E-1 00.00000E+0 11.92912E+2 00.00000E+0 00.00000E+0 - -+1.000Ag+ +1.000I- = AgI - log_k +6.58 #76SMI/MAR - delta_h -36.962 #kJ/mol -# Enthalpy of formation: +12.048 kJ/mol - -analytic 10.45356E-2 00.00000E+0 19.30660E+2 00.00000E+0 00.00000E+0 - -+1.000Ag+ +2.000I- = AgI2- - log_k +11.70 #76SMI/MAR - delta_h -76.578 #kJ/mol -# Enthalpy of formation: -84.347 kJ/mol - -analytic -17.15890E-1 00.00000E+0 39.99948E+2 00.00000E+0 00.00000E+0 - -+1.000Ag+ +3.000I- = AgI3-2 - log_k +13.28 - delta_h -114.914 #kJ/mol -# Enthalpy of formation: -179.463 kJ/mol - -analytic -68.52069E-1 00.00000E+0 60.02376E+2 00.00000E+0 00.00000E+0 - -+1.000Ag+ +1.000NO3- = AgNO3 - log_k -0.29 #91BAL/NOR, 68WAG; Uncertainty to include available data. - delta_h -0.740 #kJ/mol + -analytic -15.8738E-1 00E+0 45.40043E+2 00E+0 00E+0 + +Ag+ + SeO3-2 = Ag(SeO3)- + log_k +3.20 #Data from 68MEH and 69MEH/GUB in 05OLI/NOL corrected to I=0 by DH + -analytic 32E-1 00E+0 00E+0 00E+0 00E+0 + +Ag+ + SO3-2 = Ag(SO3)- + log_k 5.43 + -analytic 54.3E-1 00E+0 00E+0 00E+0 00E+0 + +Ag+ + SO4-2 = Ag(SO4)- + log_k 1.38 + delta_h 4.645 #kJ/mol +# Enthalpy of formation: -798.904 kJ/mol + -analytic 21.93769E-1 00E+0 -24.26252E+1 00E+0 00E+0 + +Ag+ + Br- = AgBr + log_k 4.24 #91BAL/NOR, 68WAG + delta_h -23.129 #kJ/mol +# Enthalpy of formation: -38.748 kJ/mol + -analytic 18.79731E-2 00E+0 12.08112E+2 00E+0 00E+0 + +Ag+ + 2 Br- = AgBr2- + log_k 7.28 #91BAL/NOR, 68WAG + delta_h -45.296 #kJ/mol +# Enthalpy of formation: -182.325 kJ/mol + -analytic -65.55186E-2 00E+0 23.65975E+2 00E+0 00E+0 + +Ag+ + 3 Br- = AgBr3-2 + log_k 8.71 #91BAL/NOR, 68WAG + delta_h -66.741 #kJ/mol +# Enthalpy of formation: -325.180 kJ/mol + -analytic -29.82521E-1 00E+0 34.86125E+2 00E+0 00E+0 + +Ag+ + Cl- = AgCl + log_k 3.27 #91BAL/NOR; Uncertainty to include available data. + delta_h -17.1 #kJ/mol +# Enthalpy of formation: -78.390 kJ/mol + -analytic 27.42086E-2 00E+0 89.31952E+1 00E+0 00E+0 + +Ag+ + 2 Cl- = AgCl2- + log_k 5.27 #91BAL/NOR; Uncertainty to include available data. + delta_h -28.754 #kJ/mol +# Enthalpy of formation: -257.124 kJ/mol + -analytic 23.25154E-2 00E+0 15.01926E+2 00E+0 00E+0 + +Ag+ + 3 Cl- = AgCl3-2 + log_k 5.29 #91BAL/NOR; Uncertainty to include available data. + delta_h -29.167 #kJ/mol +# Enthalpy of formation: -424.616 kJ/mol + -analytic 18.01609E-2 00E+0 15.23499E+2 00E+0 00E+0 + +Ag+ + 4 Cl- = AgCl4-3 + log_k 5.51 #91BAL/NOR; Uncertainty to include available data. + delta_h -26.099 #kJ/mol +# Enthalpy of formation: -588.628 kJ/mol + -analytic 93.76515E-2 00E+0 13.63246E+2 00E+0 00E+0 + +Ag+ + CO3-2 = AgCO3- + log_k 2.69 #97SVE/SHO + delta_h -22.838 #kJ/mol +# Enthalpy of formation: -592.278 kJ/mol + -analytic -13.11046E-1 00E+0 11.92912E+2 00E+0 00E+0 + +Ag+ + I- = AgI + log_k 6.58 #76SMI/MAR + delta_h -36.962 #kJ/mol +# Enthalpy of formation: +12.048 kJ/mol + -analytic 10.45356E-2 00E+0 19.3066E+2 00E+0 00E+0 + +Ag+ + 2 I- = AgI2- + log_k 11.7 #76SMI/MAR + delta_h -76.578 #kJ/mol +# Enthalpy of formation: -84.347 kJ/mol + -analytic -17.1589E-1 00E+0 39.99948E+2 00E+0 00E+0 + +Ag+ + 3 I- = AgI3-2 + log_k 13.28 + delta_h -114.914 #kJ/mol +# Enthalpy of formation: -179.463 kJ/mol + -analytic -68.52069E-1 00E+0 60.02376E+2 00E+0 00E+0 + +Ag+ + NO3- = AgNO3 + log_k -0.29 #91BAL/NOR, 68WAG; Uncertainty to include available data. + delta_h -0.74 #kJ/mol # Enthalpy of formation: -101.800 kJ/mol 82WAG/EVA - -analytic -41.96424E-2 00.00000E+0 38.65289E+0 00.00000E+0 00.00000E+0 + -analytic -41.96424E-2 00E+0 38.65289E+0 00E+0 00E+0 -+1.000Al+3 +1.000Cit-3 = Al(Cit) - log_k +9.90 #95AKR/BOU - -analytic 99.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 + Cit-3 = Al(Cit) + log_k 9.9 #95AKR/BOU + -analytic 99E-1 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 -1.000H+ +2.000Cit-3 +1.000H2O = Al(Cit)2(OH)-4 - log_k +10.19 #95AKR/BOU - -analytic 10.19000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 - H+ + 2 Cit-3 + H2O = Al(Cit)2(OH)-4 + log_k 10.19 #95AKR/BOU + -analytic 10.19E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 +2.000Cit-3 = Al(Cit)2-3 - log_k +14.13 #95AKR/BOU - -analytic 14.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 + 2 Cit-3 = Al(Cit)2-3 + log_k 14.13 #95AKR/BOU + -analytic 14.13E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 +1.000Edta-4 = Al(Edta)- - log_k +19.08 #95AKR/BOU - -analytic 19.08000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 + Edta-4 = Al(Edta)- + log_k 19.08 #95AKR/BOU + -analytic 19.08E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 +1.000H+ +1.000Cit-3 = Al(HCit)+ - log_k +12.90 #95AKR/BOU - -analytic 12.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 + H+ + Cit-3 = Al(HCit)+ + log_k 12.9 #95AKR/BOU + -analytic 12.9E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 +1.000H+ +1.000Edta-4 = Al(HEdta) - log_k +21.82 #95AKR/BOU - -analytic 21.82000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 + H+ + Edta-4 = Al(HEdta) + log_k 21.82 #95AKR/BOU + -analytic 21.82E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 +1.000HGlu- = Al(HGlu)+2 - log_k +3.20 #08LAK/KIS - -analytic 32.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 + HGlu- = Al(HGlu)+2 + log_k 3.2 #08LAK/KIS + -analytic 32E-1 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 +1.000H+ +1.000Nta-3 = Al(HNta)+ - log_k +15.13 #95AKR/BOU - -analytic 15.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 + H+ + Nta-3 = Al(HNta)+ + log_k 15.13 #95AKR/BOU + -analytic 15.13E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 +1.000H+ +1.000Ox-2 = Al(HOx)+2 - log_k +7.50 #95AKR/BOU - -analytic 75.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 + H+ + Ox-2 = Al(HOx)+2 + log_k 7.5 #95AKR/BOU + -analytic 75E-1 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 +1.000IO3- = Al(IO3)+2 - log_k +2.46 #estimation NEA87 08/2/95 - -analytic 24.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 + IO3- = Al(IO3)+2 + log_k 2.46 #estimation NEA87 08/2/95 + -analytic 24.6E-1 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 +2.000IO3- = Al(IO3)2+ - log_k +4.30 #estimation NEA87 08/2/95 - -analytic 43.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 + 2 IO3- = Al(IO3)2+ + log_k 4.3 #estimation NEA87 08/2/95 + -analytic 43E-1 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 +1.000Nta-3 = Al(Nta) - log_k +13.23 #95AKR/BOU - -analytic 13.23000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 + Nta-3 = Al(Nta) + log_k 13.23 #95AKR/BOU + -analytic 13.23E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 -2.000H+ +1.000Nta-3 +2.000H2O = Al(Nta)(OH)2-2 - log_k -0.30 #95AKR/BOU - -analytic -30.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 - 2 H+ + Nta-3 + 2 H2O = Al(Nta)(OH)2-2 + log_k -0.3 #95AKR/BOU + -analytic -30E-2 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 +2.000Nta-3 = Al(Nta)2-3 - log_k +20.80 #95AKR/BOU - -analytic 20.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 + 2 Nta-3 = Al(Nta)2-3 + log_k 20.8 #95AKR/BOU + -analytic 20.8E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 -1.000H+ +1.000Cit-3 +1.000H2O = Al(OH)(Cit)- - log_k +8.10 #95AKR/BOU - -analytic 81.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 - H+ + Cit-3 + H2O = Al(OH)(Cit)- + log_k 8.1 #95AKR/BOU + -analytic 81E-1 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 -1.000H+ +1.000Edta-4 +1.000H2O = Al(OH)(Edta)-2 - log_k +13.00 #95AKR/BOU - -analytic 13.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 - H+ + Edta-4 + H2O = Al(OH)(Edta)-2 + log_k 13 #95AKR/BOU + -analytic 13E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 -1.000H+ +1.000HGlu- +1.000H2O = Al(OH)(HGlu)+ - log_k -0.39 #08LAK/KIS - -analytic -39.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 - H+ + HGlu- + H2O = Al(OH)(HGlu)+ + log_k -0.39 #08LAK/KIS + -analytic -39E-2 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 -1.000H+ +2.000HGlu- +1.000H2O = Al(OH)(HGlu)2 - log_k +2.85 #08LAK/KIS - -analytic 28.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 - H+ + 2 HGlu- + H2O = Al(OH)(HGlu)2 + log_k 2.85 #08LAK/KIS + -analytic 28.5E-1 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 -1.000H+ +1.000Nta-3 +1.000H2O = Al(OH)(Nta)- - log_k +6.79 #95AKR/BOU - -analytic 67.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 - H+ + Nta-3 + H2O = Al(OH)(Nta)- + log_k 6.79 #95AKR/BOU + -analytic 67.9E-1 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 -1.000H+ +1.000H2O = Al(OH)+2 - log_k -4.95 #95POK/HEL - delta_h +49.759 #kJ/mol -# Enthalpy of formation: -774.471 kJ/mol - -analytic 37.67403E-1 00.00000E+0 -25.99094E+2 00.00000E+0 00.00000E+0 +Al+3 - H+ + H2O = Al(OH)+2 + log_k -4.95 #95POK/HEL + delta_h 49.759 #kJ/mol +# Enthalpy of formation: -774.471 kJ/mol + -analytic 37.67403E-1 00E+0 -25.99094E+2 00E+0 00E+0 -+1.000Al+3 -2.000H+ +1.000Edta-4 +2.000H2O = Al(OH)2(Edta)-3 - log_k +2.30 #95AKR/BOU - -analytic 23.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 - 2 H+ + Edta-4 + 2 H2O = Al(OH)2(Edta)-3 + log_k 2.3 #95AKR/BOU + -analytic 23E-1 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 -2.000H+ +1.000HGlu- +2.000H2O = Al(OH)2(HGlu) - log_k -4.85 #08LAK/KIS - -analytic -48.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 - 2 H+ + HGlu- + 2 H2O = Al(OH)2(HGlu) + log_k -4.85 #08LAK/KIS + -analytic -48.5E-1 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 -2.000H+ +2.000HGlu- +2.000H2O = Al(OH)2(HGlu)2- - log_k -2.60 #08LAK/KIS - -analytic -26.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 - 2 H+ + 2 HGlu- + 2 H2O = Al(OH)2(HGlu)2- + log_k -2.6 #08LAK/KIS + -analytic -26E-1 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 -2.000H+ +2.000H2O = Al(OH)2+ - log_k -10.58 - delta_h +98.264 #kJ/mol +Al+3 - 2 H+ + 2 H2O = Al(OH)2+ + log_k -10.58 + delta_h 98.264 #kJ/mol # Enthalpy of formation: -1011.796 kJ/mol 95POK/HEL - -analytic 66.35114E-1 00.00000E+0 -51.32686E+2 00.00000E+0 00.00000E+0 + -analytic 66.35114E-1 00E+0 -51.32686E+2 00E+0 00E+0 -+1.000Al+3 -2.000H+ +1.000F- +2.000H2O = Al(OH)2F - log_k -4.21 - delta_h +118.636 #kJ/mol +Al+3 - 2 H+ + F- + 2 H2O = Al(OH)2F + log_k -4.21 + delta_h 118.636 #kJ/mol # Enthalpy of formation: -1326.774 kJ/mol 01TAG/SCH - -analytic 16.57414E+0 00.00000E+0 -61.96790E+2 00.00000E+0 00.00000E+0 + -analytic 16.57414E+0 00E+0 -61.9679E+2 00E+0 00E+0 -+1.000Al+3 -2.000H+ +2.000F- +2.000H2O = Al(OH)2F2- - log_k -1.99 - delta_h +134.839 #kJ/mol +Al+3 - 2 H+ + 2 F- + 2 H2O = Al(OH)2F2- + log_k -1.99 + delta_h 134.839 #kJ/mol # Enthalpy of formation: -1645.921 kJ/mol 01TAG/SCH - -analytic 21.63278E+0 00.00000E+0 -70.43131E+2 00.00000E+0 00.00000E+0 + -analytic 21.63278E+0 00E+0 -70.43131E+2 00E+0 00E+0 -+1.000Al+3 -3.000H+ +3.000H2O = Al(OH)3 - log_k -16.42 - delta_h +144.686 #kJ/mol +Al+3 - 3 H+ + 3 H2O = Al(OH)3 + log_k -16.42 + delta_h 144.686 #kJ/mol # Enthalpy of formation: -1251.204 kJ/mol 95POK/HEL - -analytic 89.27899E-1 00.00000E+0 -75.57476E+2 00.00000E+0 00.00000E+0 + -analytic 89.27899E-1 00E+0 -75.57476E+2 00E+0 00E+0 -+1.000Al+3 -3.000H+ +1.000HGlu- +3.000H2O = Al(OH)3(HGlu)- - log_k -11.11 #08LAK/KIS - -analytic -11.11000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al+3 - 3 H+ + HGlu- + 3 H2O = Al(OH)3(HGlu)- + log_k -11.11 #08LAK/KIS + -analytic -11.11E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Al+3 -4.000H+ +4.000H2O = Al(OH)4- - log_k -22.87 - delta_h +180.881 #kJ/mol +Al+3 - 4 H+ + 4 H2O = Al(OH)4- + log_k -22.87 + delta_h 180.881 #kJ/mol # Enthalpy of formation: -1500.839 kJ/mol 95POK/HEL - -analytic 88.18991E-1 00.00000E+0 -94.48073E+2 00.00000E+0 00.00000E+0 - -+1.000Al+3 -4.000H+ +1.000HGlu- +4.000H2O = Al(OH)4(HGlu)-2 - log_k -20.47 #13PAL/TAS - -analytic -20.47000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Al+3 +1.000Ox-2 = Al(Ox)+ - log_k +9.40 #95AKR/BOU - -analytic 94.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Al+3 +2.000Ox-2 = Al(Ox)2- - log_k +15.39 #95AKR/BOU - -analytic 15.39000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Al+3 +3.000Ox-2 = Al(Ox)3-3 - log_k +18.30 #95AKR/BOU - -analytic 18.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Al+3 +1.000SO4-2 = Al(SO4)+ - log_k +3.17 #01TAG/SCH - delta_h +18.869 #kJ/mol -# Enthalpy of formation: -1428.870 kJ/mol - -analytic 64.75707E-1 00.00000E+0 -98.55965E+1 00.00000E+0 00.00000E+0 - -+2.000Al+3 -2.000H+ +4.000Ox-2 +2.000H2O = Al2(Ox)4(OH)2-4 - log_k +22.00 #95AKR/BOU - -analytic 22.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+3.000Al+3 -4.000H+ +3.000Cit-3 +4.000H2O = Al3(Cit)3(OH)4-4 - log_k +20.60 #95AKR/BOU - -analytic 20.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+3.000Al+3 -3.000H+ +3.000Ox-2 +3.000H2O = Al3(Ox)3(OH)3 - log_k +16.00 #95AKR/BOU - -analytic 16.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+4.000Al+3 -4.000H+ +4.000Ox-2 +4.000H2O = Al4(Ox)4(OH)4 - log_k +21.00 #95AKR/BOU - -analytic 21.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Al+3 +1.000F- = AlF+2 - log_k +6.98 #01TAG/SCH - delta_h -0.345 #kJ/mol -# Enthalpy of formation: -874.094 kJ/mol - -analytic 69.19559E-1 00.00000E+0 18.02061E+0 00.00000E+0 00.00000E+0 - -+1.000Al+3 +2.000F- = AlF2+ - log_k +12.50 #01TAG/SCH - delta_h +74.869 #kJ/mol -# Enthalpy of formation: -1134.230 kJ/mol - -analytic 25.61649E+0 00.00000E+0 -39.10680E+2 00.00000E+0 00.00000E+0 - -+1.000Al+3 +3.000F- = AlF3 - log_k +16.55 #01TAG/SCH - delta_h +0.616 #kJ/mol -# Enthalpy of formation: -1543.833 kJ/mol - -analytic 16.65792E+0 00.00000E+0 -32.17592E+0 00.00000E+0 00.00000E+0 - -+1.000Al+3 +4.000F- = AlF4- - log_k +18.93 #01TAG/SCH - delta_h +0.824 #kJ/mol -# Enthalpy of formation: -1878.974 kJ/mol - -analytic 19.07436E+0 00.00000E+0 -43.04052E+0 00.00000E+0 00.00000E+0 - -+1.000Al+3 -1.000H+ +1.000H4(SiO4) = AlH3SiO4+2 - log_k -2.38 #01TAG/SCH - delta_h +77.382 #kJ/mol -# Enthalpy of formation: -1922.212 kJ/mol - -analytic 11.17674E+0 00.00000E+0 -40.41943E+2 00.00000E+0 00.00000E+0 - -+1.000Al+3 -1.000H+ +2.000F- +1.000H2O = AlOHF2 - log_k +0.21 - delta_h +139.337 #kJ/mol + -analytic 88.18991E-1 00E+0 -94.48073E+2 00E+0 00E+0 + +Al+3 - 4 H+ + HGlu- + 4 H2O = Al(OH)4(HGlu)-2 + log_k -20.47 #13PAL/TAS + -analytic -20.47E+0 00E+0 00E+0 00E+0 00E+0 + +Al+3 + Ox-2 = Al(Ox)+ + log_k 9.4 #95AKR/BOU + -analytic 94E-1 00E+0 00E+0 00E+0 00E+0 + +Al+3 + 2 Ox-2 = Al(Ox)2- + log_k 15.39 #95AKR/BOU + -analytic 15.39E+0 00E+0 00E+0 00E+0 00E+0 + +Al+3 + 3 Ox-2 = Al(Ox)3-3 + log_k 18.3 #95AKR/BOU + -analytic 18.3E+0 00E+0 00E+0 00E+0 00E+0 + +Al+3 + SO4-2 = Al(SO4)+ + log_k 3.17 #01TAG/SCH + delta_h 18.869 #kJ/mol +# Enthalpy of formation: -1428.870 kJ/mol + -analytic 64.75707E-1 00E+0 -98.55965E+1 00E+0 00E+0 + +2 Al+3 - 2 H+ + 4 Ox-2 + 2 H2O = Al2(Ox)4(OH)2-4 + log_k 22 #95AKR/BOU + -analytic 22E+0 00E+0 00E+0 00E+0 00E+0 + +3 Al+3 - 4 H+ + 3 Cit-3 + 4 H2O = Al3(Cit)3(OH)4-4 + log_k 20.6 #95AKR/BOU + -analytic 20.6E+0 00E+0 00E+0 00E+0 00E+0 + +3 Al+3 - 3 H+ + 3 Ox-2 + 3 H2O = Al3(Ox)3(OH)3 + log_k 16 #95AKR/BOU + -analytic 16E+0 00E+0 00E+0 00E+0 00E+0 + +4 Al+3 - 4 H+ + 4 Ox-2 + 4 H2O = Al4(Ox)4(OH)4 + log_k 21 #95AKR/BOU + -analytic 21E+0 00E+0 00E+0 00E+0 00E+0 + +Al+3 + F- = AlF+2 + log_k 6.98 #01TAG/SCH + delta_h -0.345 #kJ/mol +# Enthalpy of formation: -874.094 kJ/mol + -analytic 69.19559E-1 00E+0 18.02061E+0 00E+0 00E+0 + +Al+3 + 2 F- = AlF2+ + log_k 12.5 #01TAG/SCH + delta_h 74.869 #kJ/mol +# Enthalpy of formation: -1134.230 kJ/mol + -analytic 25.61649E+0 00E+0 -39.1068E+2 00E+0 00E+0 + +Al+3 + 3 F- = AlF3 + log_k 16.55 #01TAG/SCH + delta_h 0.616 #kJ/mol +# Enthalpy of formation: -1543.833 kJ/mol + -analytic 16.65792E+0 00E+0 -32.17592E+0 00E+0 00E+0 + +Al+3 + 4 F- = AlF4- + log_k 18.93 #01TAG/SCH + delta_h 0.824 #kJ/mol +# Enthalpy of formation: -1878.974 kJ/mol + -analytic 19.07436E+0 00E+0 -43.04052E+0 00E+0 00E+0 + +Al+3 - H+ + H4(SiO4) = AlH3SiO4+2 + log_k -2.38 #01TAG/SCH + delta_h 77.382 #kJ/mol +# Enthalpy of formation: -1922.212 kJ/mol + -analytic 11.17674E+0 00E+0 -40.41943E+2 00E+0 00E+0 + +Al+3 - H+ + 2 F- + H2O = AlOHF2 + log_k 0.21 + delta_h 139.337 #kJ/mol # Enthalpy of formation: -1355.593 kJ/mol 01TAG/SCH - -analytic 24.62079E+0 00.00000E+0 -72.78078E+2 00.00000E+0 00.00000E+0 - -+1.000Am+3 +1.000Acetate- = Am(Acetate)+2 - log_k +2.94 #11RIC/GRI - -analytic 29.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Am+3 +2.000Acetate- = Am(Acetate)2+ - log_k +5.07 #69MOS - -analytic 50.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Am+3 +3.000Acetate- = Am(Acetate)3 - log_k +6.54 #69MOS - -analytic 65.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Am+3 +1.000Cit-3 = Am(Cit) - log_k +8.55 #05HUM/AND - -analytic 85.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Am+3 +2.000Cit-3 = Am(Cit)2-3 - log_k +13.90 #05HUM/AND - -analytic 13.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Am+3 +1.000CO3-2 = Am(CO3)+ - log_k +7.90 #recalculated from 03GUI/FAN - delta_h +18.174 #kJ/mol -# Enthalpy of formation: -1273.757 kJ/mol - -analytic 11.08395E+0 00.00000E+0 -94.92941E+1 00.00000E+0 00.00000E+0 - -+1.000Am+3 +2.000CO3-2 = Am(CO3)2- - log_k +12.60 #recalculated from 03GUI/FAN - -analytic 12.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Am+3 +3.000CO3-2 = Am(CO3)3-3 - log_k +14.60 #Recalculated from 03GUI/FAN - -analytic 14.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Am+3 -1.000e- +5.000CO3-2 = Am(CO3)5-6 - log_k -5.10 #03GUI/FAN - -analytic -51.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Am+3 +1.000Edta-4 = Am(Edta)- - log_k +19.67 #05HUM/AND - delta_h -10.600 #kJ/mol 05HUM/AND -# Enthalpy of formation: -2332.100 kJ/mol - -analytic 17.81296E+0 00.00000E+0 55.36766E+1 00.00000E+0 00.00000E+0 - -+1.000Am+3 +1.000H2(PO4)- = Am(H2PO4)+2 - log_k +2.46 #20GRE/GAO - -analytic 24.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000Am+3 +1.000Cit-3 = Am(HCit)+ - log_k +12.86 #05HUM/AND - -analytic 12.86000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000Am+3 +2.000Cit-3 = Am(HCit)2- - log_k +23.52 #05HUM/AND - -analytic 23.52000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000Am+3 +1.000CO3-2 = Am(HCO3)+2 - log_k +13.43 #03GUI/FAN - -analytic 13.43000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000Am+3 +1.000Edta-4 = Am(HEdta) - log_k +21.84 #05HUM/AND - -analytic 21.84000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000Am+3 +1.000H2(PO4)- = Am(HPO4)+ - log_k -1.74 #Estimated by correlation with An(III) in function of ionic radii. - -analytic -17.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +1.000Am+3 +2.000H2(PO4)- = Am(HPO4)2- - log_k -5.30 #Estimated by correlation with An(III) in function of ionic radii. - -analytic -53.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Am+3 +1.000NO3- = Am(NO3)+2 - log_k +1.28 #20GRE/GAO - delta_h +1.800 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -821.750 kJ/mol - -analytic 15.95346E-1 00.00000E+0 -94.02055E+0 00.00000E+0 00.00000E+0 - -+1.000Am+3 +2.000NO3- = Am(NO3)2+ - log_k +0.88 #20GRE/GAO - delta_h +10.800 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -1019.600 kJ/mol - -analytic 27.72079E-1 00.00000E+0 -56.41233E+1 00.00000E+0 00.00000E+0 - -+1.000Am+3 +1.000Nta-3 = Am(Nta) - log_k +13.00 #95AKR/BOU - -analytic 13.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000Am+3 +1.000H2O = Am(OH)+2 - log_k -7.20 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE - delta_h +41.492 #kJ/mol -# Enthalpy of formation: -861.038 kJ/mol - -analytic 69.08637E-3 00.00000E+0 -21.67278E+2 00.00000E+0 00.00000E+0 - --2.000H+ +1.000Am+3 +1.000HGlu- +2.000H2O = Am(OH)2(HGlu) - log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) - -analytic -10.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +1.000Am+3 +1.000HIsa- +2.000H2O = Am(OH)2(HIsa) - log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) - -analytic -10.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +1.000Am+3 +2.000H2O = Am(OH)2+ - log_k -15.10 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE - delta_h +94.628 #kJ/mol -# Enthalpy of formation: -1093.732 kJ/mol - -analytic 14.78114E-1 00.00000E+0 -49.42765E+2 00.00000E+0 00.00000E+0 - --3.000H+ +1.000Am+3 +3.000H2O = Am(OH)3 - log_k -26.20 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE - delta_h +156.808 #kJ/mol -# Enthalpy of formation: -1317.382 kJ/mol - -analytic 12.71582E-1 00.00000E+0 -81.90652E+2 00.00000E+0 00.00000E+0 - -+1.000Am+3 +1.000Ox-2 = Am(Ox)+ - log_k +6.51 #05HUM/AND - -analytic 65.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Am+3 +2.000Ox-2 = Am(Ox)2- - log_k +10.71 #05HUM/AND - -analytic 10.71000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Am+3 +3.000Ox-2 = Am(Ox)3-3 - log_k +13.00 #05HUM/AND - -analytic 13.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Am+3 +1.000Phthalat-2 = Am(Phthalat)+ - log_k +4.93 #In analogy with Cm - -analytic 49.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +1.000Am+3 +1.000H2(PO4)- = Am(PO4) - log_k -7.76 #1. Estimated by correlation with An(III) in function of ionic radii - -analytic -77.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --4.000H+ +1.000Am+3 +2.000H2(PO4)- = Am(PO4)2-3 - log_k -19.41 #Estimated by correlation with An(III) in function of ionic radii. - -analytic -19.41000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Am+3 +1.000SO4-2 = Am(SO4)+ - log_k +3.50 #20GRE/GAO - delta_h +40.000 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -1486.040 kJ/mol - -analytic 10.50770E+0 00.00000E+0 -20.89346E+2 00.00000E+0 00.00000E+0 - -+1.000Am+3 +2.000SO4-2 = Am(SO4)2- - log_k +5.00 #20GRE/GAO - delta_h +70.000 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -2365.380 kJ/mol - -analytic 17.26347E+0 00.00000E+0 -36.56355E+2 00.00000E+0 00.00000E+0 - -+1.000Am+3 +1.000Cl- = AmCl+2 - log_k +0.24 #20GRE/GAO - delta_h +19.390 #kJ/mol 00YEH/MAD -# Enthalpy of formation: -764.390 kJ/mol - -analytic 36.36982E-1 00.00000E+0 -10.12810E+2 00.00000E+0 00.00000E+0 - -+1.000Am+3 +2.000Cl- = AmCl2+ - log_k -0.81 #20GRE/GAO - delta_h +54.900 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -895.960 kJ/mol - -analytic 88.08067E-1 00.00000E+0 -28.67627E+2 00.00000E+0 00.00000E+0 - -+1.000Am+3 +1.000F- = AmF+2 - log_k +3.40 #20GRE/GAO - delta_h +12.100 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -939.950 kJ/mol - -analytic 55.19829E-1 00.00000E+0 -63.20270E+1 00.00000E+0 00.00000E+0 - -+1.000Am+3 +2.000F- = AmF2+ - log_k +5.80 #20GRE/GAO - delta_h +45.100 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -1242.300 kJ/mol - -analytic 13.70118E+0 00.00000E+0 -23.55737E+2 00.00000E+0 00.00000E+0 - -+1.000Am+3 +3.000F- = AmF3 - log_k +10.82 #69AZI/LYL - delta_h +20.407 #kJ/mol -# Enthalpy of formation: -1602.342 kJ/mol - -analytic 14.39515E+0 00.00000E+0 -10.65932E+2 00.00000E+0 00.00000E+0 - -+1.000AmO2+ +1.000CO3-2 = AmO2(CO3)- - log_k +5.10 #03GUI/FAN - -analytic 51.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000AmO2+ +2.000CO3-2 = AmO2(CO3)2-3 - log_k +6.70 #03GUI/FAN - -analytic 67.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000AmO2+ +3.000CO3-2 = AmO2(CO3)3-5 - log_k +5.10 #03GUI/FAN - -analytic 51.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +1.000AmO2+ +2.000H2O = AmO2(OH)2- - log_k -23.60 #03GUI/FAN - -analytic -23.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000AmO2+ +1.000H2O = AmO2OH - log_k -11.30 #03GUI/FAN - -analytic -11.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000Am+3 +1.000H4(SiO4) = AmSiO(OH)3+2 - log_k -2.31 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN - delta_h +47.963 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -2029.931 kJ/mol - -analytic 60.92757E-1 00.00000E+0 -25.05282E+2 00.00000E+0 00.00000E+0 - --3.000H+ +1.000H3(AsO3) = AsO3-3 - log_k -38.59 #79IVA/VOR - -analytic -38.59000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000B(OH)4- -1.000H2O = B(OH)3 - log_k +9.24 - delta_h -13.514 #kJ/mol + -analytic 24.62079E+0 00E+0 -72.78078E+2 00E+0 00E+0 + +Am+3 + Acetate- = Am(Acetate)+2 + log_k 2.94 #11RIC/GRI + -analytic 29.4E-1 00E+0 00E+0 00E+0 00E+0 + +Am+3 + 2 Acetate- = Am(Acetate)2+ + log_k 5.07 #69MOS + -analytic 50.7E-1 00E+0 00E+0 00E+0 00E+0 + +Am+3 + 3 Acetate- = Am(Acetate)3 + log_k 6.54 #69MOS + -analytic 65.4E-1 00E+0 00E+0 00E+0 00E+0 + +Am+3 + Cit-3 = Am(Cit) + log_k 8.55 #05HUM/AND + -analytic 85.5E-1 00E+0 00E+0 00E+0 00E+0 + +Am+3 + 2 Cit-3 = Am(Cit)2-3 + log_k 13.9 #05HUM/AND + -analytic 13.9E+0 00E+0 00E+0 00E+0 00E+0 + +Am+3 + CO3-2 = Am(CO3)+ + log_k 7.9 #recalculated from 03GUI/FAN + delta_h 18.174 #kJ/mol +# Enthalpy of formation: -1273.757 kJ/mol + -analytic 11.08395E+0 00E+0 -94.92941E+1 00E+0 00E+0 + +Am+3 + 2 CO3-2 = Am(CO3)2- + log_k 12.6 #recalculated from 03GUI/FAN + -analytic 12.6E+0 00E+0 00E+0 00E+0 00E+0 + +Am+3 + 3 CO3-2 = Am(CO3)3-3 + log_k 14.6 #Recalculated from 03GUI/FAN + -analytic 14.6E+0 00E+0 00E+0 00E+0 00E+0 + +Am+3 - e- + 5 CO3-2 = Am(CO3)5-6 + log_k -5.1 #03GUI/FAN + -analytic -51E-1 00E+0 00E+0 00E+0 00E+0 + +Am+3 + Edta-4 = Am(Edta)- + log_k 19.67 #05HUM/AND + delta_h -10.6 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2332.100 kJ/mol + -analytic 17.81296E+0 00E+0 55.36766E+1 00E+0 00E+0 + +Am+3 + H2(PO4)- = Am(H2PO4)+2 + log_k 2.46 #20GRE/GAO + -analytic 24.6E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + Am+3 + Cit-3 = Am(HCit)+ + log_k 12.86 #05HUM/AND + -analytic 12.86E+0 00E+0 00E+0 00E+0 00E+0 + +2 H+ + Am+3 + 2 Cit-3 = Am(HCit)2- + log_k 23.52 #05HUM/AND + -analytic 23.52E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + Am+3 + CO3-2 = Am(HCO3)+2 + log_k 13.43 #03GUI/FAN + -analytic 13.43E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + Am+3 + Edta-4 = Am(HEdta) + log_k 21.84 #05HUM/AND + -analytic 21.84E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + Am+3 + H2(PO4)- = Am(HPO4)+ + log_k -1.74 #Estimated by correlation with An(III) in function of ionic radii. + -analytic -17.4E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + Am+3 + 2 H2(PO4)- = Am(HPO4)2- + log_k -5.3 #Estimated by correlation with An(III) in function of ionic radii. + -analytic -53E-1 00E+0 00E+0 00E+0 00E+0 + +Am+3 + NO3- = Am(NO3)+2 + log_k 1.28 #20GRE/GAO + delta_h 1.8 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -821.750 kJ/mol + -analytic 15.95346E-1 00E+0 -94.02055E+0 00E+0 00E+0 + +Am+3 + 2 NO3- = Am(NO3)2+ + log_k 0.88 #20GRE/GAO + delta_h 10.8 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1019.600 kJ/mol + -analytic 27.72079E-1 00E+0 -56.41233E+1 00E+0 00E+0 + +Am+3 + Nta-3 = Am(Nta) + log_k 13 #95AKR/BOU + -analytic 13E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + Am+3 + H2O = Am(OH)+2 + log_k -7.2 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE + delta_h 41.492 #kJ/mol +# Enthalpy of formation: -861.038 kJ/mol + -analytic 69.08637E-3 00E+0 -21.67278E+2 00E+0 00E+0 + +- 2 H+ + Am+3 + HGlu- + 2 H2O = Am(OH)2(HGlu) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + Am+3 + HIsa- + 2 H2O = Am(OH)2(HIsa) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + Am+3 + 2 H2O = Am(OH)2+ + log_k -15.1 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE + delta_h 94.628 #kJ/mol +# Enthalpy of formation: -1093.732 kJ/mol + -analytic 14.78114E-1 00E+0 -49.42765E+2 00E+0 00E+0 + +- 3 H+ + Am+3 + 3 H2O = Am(OH)3 + log_k -26.2 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE + delta_h 156.808 #kJ/mol +# Enthalpy of formation: -1317.382 kJ/mol + -analytic 12.71582E-1 00E+0 -81.90652E+2 00E+0 00E+0 + +Am+3 + Ox-2 = Am(Ox)+ + log_k 6.51 #05HUM/AND + -analytic 65.1E-1 00E+0 00E+0 00E+0 00E+0 + +Am+3 + 2 Ox-2 = Am(Ox)2- + log_k 10.71 #05HUM/AND + -analytic 10.71E+0 00E+0 00E+0 00E+0 00E+0 + +Am+3 + 3 Ox-2 = Am(Ox)3-3 + log_k 13 #05HUM/AND + -analytic 13E+0 00E+0 00E+0 00E+0 00E+0 + +Am+3 + Phthalat-2 = Am(Phthalat)+ + log_k 4.93 #In analogy with Cm + -analytic 49.3E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + Am+3 + H2(PO4)- = Am(PO4) + log_k -7.76 #1. Estimated by correlation with An(III) in function of ionic radii + -analytic -77.6E-1 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + Am+3 + 2 H2(PO4)- = Am(PO4)2-3 + log_k -19.41 #Estimated by correlation with An(III) in function of ionic radii. + -analytic -19.41E+0 00E+0 00E+0 00E+0 00E+0 + +Am+3 + SO4-2 = Am(SO4)+ + log_k 3.5 #20GRE/GAO + delta_h 40 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1486.040 kJ/mol + -analytic 10.5077E+0 00E+0 -20.89346E+2 00E+0 00E+0 + +Am+3 + 2 SO4-2 = Am(SO4)2- + log_k 5 #20GRE/GAO + delta_h 70 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2365.380 kJ/mol + -analytic 17.26347E+0 00E+0 -36.56355E+2 00E+0 00E+0 + +Am+3 + Cl- = AmCl+2 + log_k 0.24 #20GRE/GAO + delta_h 19.39 #kJ/mol 00YEH/MAD +# Enthalpy of formation: -764.390 kJ/mol + -analytic 36.36982E-1 00E+0 -10.1281E+2 00E+0 00E+0 + +Am+3 + 2 Cl- = AmCl2+ + log_k -0.81 #20GRE/GAO + delta_h 54.9 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -895.960 kJ/mol + -analytic 88.08067E-1 00E+0 -28.67627E+2 00E+0 00E+0 + +Am+3 + F- = AmF+2 + log_k 3.4 #20GRE/GAO + delta_h 12.1 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -939.950 kJ/mol + -analytic 55.19829E-1 00E+0 -63.2027E+1 00E+0 00E+0 + +Am+3 + 2 F- = AmF2+ + log_k 5.8 #20GRE/GAO + delta_h 45.1 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1242.300 kJ/mol + -analytic 13.70118E+0 00E+0 -23.55737E+2 00E+0 00E+0 + +Am+3 + 3 F- = AmF3 + log_k 10.82 #69AZI/LYL + delta_h 20.407 #kJ/mol +# Enthalpy of formation: -1602.342 kJ/mol + -analytic 14.39515E+0 00E+0 -10.65932E+2 00E+0 00E+0 + +AmO2+ + CO3-2 = AmO2(CO3)- + log_k 5.1 #03GUI/FAN + -analytic 51E-1 00E+0 00E+0 00E+0 00E+0 + +AmO2+ + 2 CO3-2 = AmO2(CO3)2-3 + log_k 6.7 #03GUI/FAN + -analytic 67E-1 00E+0 00E+0 00E+0 00E+0 + +AmO2+ + 3 CO3-2 = AmO2(CO3)3-5 + log_k 5.1 #03GUI/FAN + -analytic 51E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + AmO2+ + 2 H2O = AmO2(OH)2- + log_k -23.6 #03GUI/FAN + -analytic -23.6E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + AmO2+ + H2O = AmO2OH + log_k -11.3 #03GUI/FAN + -analytic -11.3E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + Am+3 + H4(SiO4) = AmSiO(OH)3+2 + log_k -2.31 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN + delta_h 47.963 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2029.931 kJ/mol + -analytic 60.92757E-1 00E+0 -25.05282E+2 00E+0 00E+0 + +- 3 H+ + H3(AsO3) = AsO3-3 + log_k -38.59 #79IVA/VOR + -analytic -38.59E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + B(OH)4- - H2O = B(OH)3 + log_k 9.24 + delta_h -13.514 #kJ/mol # Enthalpy of formation: -1072.800 kJ/mol 01LEM/FUG - -analytic 68.72449E-1 00.00000E+0 70.58854E+1 00.00000E+0 00.00000E+0 - -+2.000H+ +3.000B(OH)4- -7.000H2O = B3O5- - log_k +20.90 #97CRO - -analytic 20.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000H+ +4.000B(OH)4- -9.000H2O = B4O7-2 - log_k +21.90 #97CRO - -analytic 21.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ba+2 +1.000CO3-2 = Ba(CO3) - log_k +2.71 #86BUS/PLU - delta_h +14.841 #kJ/mol 86BUS/PLU -# Enthalpy of formation: -1195.189 kJ/mol - -analytic 53.10032E-1 00.00000E+0 -77.51994E+1 00.00000E+0 00.00000E+0 - -+1.000Ba+2 +1.000H+ +1.000CO3-2 = Ba(HCO3)+ - log_k +11.31 #86BUS/PLU - delta_h +8.560 #kJ/mol 86BUS/PLU -# Enthalpy of formation: -1201.470 kJ/mol - -analytic 12.80965E+0 00.00000E+0 -44.71199E+1 00.00000E+0 00.00000E+0 - -+1.000Ba+2 +1.000NO3- = Ba(NO3)+ - log_k -0.31 - delta_h +6.819 #kJ/mol -# Enthalpy of formation: -734.831 kJ/mol - -analytic 88.46375E-2 00.00000E+0 -35.61812E+1 00.00000E+0 00.00000E+0 - -+1.000Ba+2 -1.000H+ +1.000H2O = Ba(OH)+ - log_k -13.47 #76BAE/MES - delta_h +87.397 #kJ/mol -# Enthalpy of formation: -733.233 kJ/mol - -analytic 18.41297E-1 00.00000E+0 -45.65063E+2 00.00000E+0 00.00000E+0 - -+1.000Ba+2 +1.000SO4-2 = Ba(SO4) - log_k +2.70 #76SMI/MAR; Uncertainty to include available data. - delta_h +7.367 #kJ/mol -# Enthalpy of formation: -1436.772 kJ/mol - -analytic 39.90643E-1 00.00000E+0 -38.48052E+1 00.00000E+0 00.00000E+0 - -+2.000Ba+2 +1.000UO2+2 +3.000CO3-2 = Ba2UO2(CO3)3 - log_k +29.75 #06DON/BRO - -analytic 29.75000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ba+2 +1.000B(OH)4- = BaB(OH)4+ - log_k +1.49 #80BAS - -analytic 14.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ba+2 +1.000F- = BaF+ - log_k +0.40 - delta_h +6.698 #kJ/mol + -analytic 68.72449E-1 00E+0 70.58854E+1 00E+0 00E+0 + +2 H+ + 3 B(OH)4- - 7 H2O = B3O5- + log_k 20.9 #97CRO + -analytic 20.9E+0 00E+0 00E+0 00E+0 00E+0 + +2 H+ + 4 B(OH)4- - 9 H2O = B4O7-2 + log_k 21.9 #97CRO + -analytic 21.9E+0 00E+0 00E+0 00E+0 00E+0 + +Ba+2 + CO3-2 = Ba(CO3) + log_k 2.71 #86BUS/PLU + delta_h 14.841 #kJ/mol 86BUS/PLU +# Enthalpy of formation: -1195.189 kJ/mol + -analytic 53.10032E-1 00E+0 -77.51994E+1 00E+0 00E+0 + +Ba+2 + H+ + CO3-2 = Ba(HCO3)+ + log_k 11.31 #86BUS/PLU + delta_h 8.56 #kJ/mol 86BUS/PLU +# Enthalpy of formation: -1201.470 kJ/mol + -analytic 12.80965E+0 00E+0 -44.71199E+1 00E+0 00E+0 + +Ba+2 + NO3- = Ba(NO3)+ + log_k -0.31 + delta_h 6.819 #kJ/mol +# Enthalpy of formation: -734.831 kJ/mol + -analytic 88.46375E-2 00E+0 -35.61812E+1 00E+0 00E+0 + +Ba+2 - H+ + H2O = Ba(OH)+ + log_k -13.47 #76BAE/MES + delta_h 87.397 #kJ/mol +# Enthalpy of formation: -733.233 kJ/mol + -analytic 18.41297E-1 00E+0 -45.65063E+2 00E+0 00E+0 + +Ba+2 + SO4-2 = Ba(SO4) + log_k 2.7 #76SMI/MAR; Uncertainty to include available data. + delta_h 7.367 #kJ/mol +# Enthalpy of formation: -1436.772 kJ/mol + -analytic 39.90643E-1 00E+0 -38.48052E+1 00E+0 00E+0 + +2 Ba+2 + UO2+2 + 3 CO3-2 = Ba2UO2(CO3)3 + log_k 29.75 #06DON/BRO + -analytic 29.75E+0 00E+0 00E+0 00E+0 00E+0 + +Ba+2 + B(OH)4- = BaB(OH)4+ + log_k 1.49 #80BAS + -analytic 14.9E-1 00E+0 00E+0 00E+0 00E+0 + +Ba+2 + F- = BaF+ + log_k 0.4 + delta_h 6.698 #kJ/mol # Enthalpy of formation: -863.452 kJ/mol 97SVE/SHO - -analytic 15.73439E-1 00.00000E+0 -34.98609E+1 00.00000E+0 00.00000E+0 - -+1.000Ba+2 +1.000UO2+2 +3.000CO3-2 = BaUO2(CO3)3-2 - log_k +25.60 #20GRE/GAO - -analytic 25.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000CO3-2 +1.000H2O +1.000Be+2 = Be(OH)(CO3)- - log_k +1.85 #87BRU/GRE - -analytic 18.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000H2O +1.000Be+2 = Be(OH)+ - log_k -5.49 #17CAM/COL - -analytic -54.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +2.000H2O +1.000Be+2 = Be(OH)2 - log_k -13.70 #20ÇEV/GAO - -analytic -13.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +1.000CO3-2 +2.000H2O +1.000Be+2 = Be(OH)2(CO3)-2 - log_k -6.04 #87BRU/GRE - -analytic -60.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --3.000H+ +3.000H2O +1.000Be+2 = Be(OH)3- - log_k -24.30 #20ÇEV/GAO - -analytic -24.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --4.000H+ +4.000H2O +1.000Be+2 = Be(OH)4-2 - log_k -37.60 #20ÇEV/GAO - -analytic -37.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000SO4-2 +1.000Be+2 = Be(SO4)2-2 - log_k +3.35 #67SEI/SAK - -analytic 33.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+3.000SO4-2 +1.000Be+2 = Be(SO4)3-4 - log_k +4.58 #67SEI/SAK - -analytic 45.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000H2O +2.000Be+2 = Be2(OH)+3 - log_k -3.47 #87BRU - delta_h +20.420 #kJ/mol 67MES/BAE -# Enthalpy of formation: -1031.010 kJ/mol - -analytic 10.74304E-2 00.00000E+0 -10.66611E+2 00.00000E+0 00.00000E+0 - --1.000H+ +1.000CO3-2 +1.000H2O +3.000Be+2 = Be3(OH)(CO3)+3 - log_k +9.47 #87BRU/GRE - -analytic 94.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --3.000H+ +3.000CO3-2 +3.000H2O +3.000Be+2 = Be3(OH)3(CO3)3-3 - log_k +9.04 #87BRU/GRE - -analytic 90.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --3.000H+ +3.000H2O +3.000Be+2 = Be3(OH)3+3 - log_k -8.86 #87BRU - delta_h +66.944 #kJ/mol 67MES/BAE -# Enthalpy of formation: -1938.946 kJ/mol - -analytic 28.68085E-1 00.00000E+0 -34.96729E+2 00.00000E+0 00.00000E+0 - --4.000H+ +3.000CO3-2 +4.000H2O +3.000Be+2 = Be3(OH)4(CO3)3-4 - log_k +1.06 #87BRU/GRE - -analytic 10.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --4.000H+ +1.000CO3-2 +4.000H2O +5.000Be+2 = Be5(OH)4(CO3)+4 - log_k +1.16 #87BRU/GREa - -analytic 11.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --6.000H+ +6.000H2O +5.000Be+2 = Be5(OH)6+4 - log_k -19.50 #87BRU - -analytic -19.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --5.000H+ +2.000CO3-2 +5.000H2O +6.000Be+2 = Be6(OH)5(CO3)2+3 - log_k +8.91 #87BRU/GREa - -analytic 89.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --8.000H+ +8.000H2O +6.000Be+2 = Be6(OH)8+4 - log_k -26.30 #87BRU - -analytic -26.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cl- +1.000Be+2 = BeCl+ - log_k +0.19 #65MOR/JON - -analytic 19.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000CO3-2 +1.000Be+2 = BeCO3 - log_k +8.57 #87BRU/GRE - -analytic 85.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000F- +1.000Be+2 = BeF+ - log_k +5.52 #69MES/BAE - delta_h -1.464 #kJ/mol 69MES/BAE -# Enthalpy of formation: -719.614 kJ/mol - -analytic 52.63518E-1 00.00000E+0 76.47005E+0 00.00000E+0 00.00000E+0 - -+2.000F- +1.000Be+2 = BeF2 - log_k +9.67 #69MES/BAE - delta_h -6.318 #kJ/mol 69MES/BAE -# Enthalpy of formation: -1059.818 kJ/mol - -analytic 85.63134E-1 00.00000E+0 33.00121E+1 00.00000E+0 00.00000E+0 - -+3.000F- +1.000Be+2 = BeF3- - log_k +12.44 #69MES/BAE - delta_h -7.531 #kJ/mol 69MES/BAE -# Enthalpy of formation: -1396.381 kJ/mol - -analytic 11.12063E+0 00.00000E+0 39.33715E+1 00.00000E+0 00.00000E+0 - -+4.000F- +1.000Be+2 = BeF4-2 - log_k +13.44 #69MES/BAE - delta_h -9.456 #kJ/mol 69MES/BAE -# Enthalpy of formation: -1733.656 kJ/mol - -analytic 11.78338E+0 00.00000E+0 49.39213E+1 00.00000E+0 00.00000E+0 - -+1.000SO4-2 +1.000Be+2 = BeSO4 - log_k +2.03 #62BEL/KOL - -analytic 20.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000F- +1.000B(OH)4- -1.000H2O = BF(OH)3- - log_k +8.94 #77NOR/JEN - delta_h -39.078 #kJ/mol 77NOR/JEN -# Enthalpy of formation: -1433.714 kJ/mol - -analytic 20.93828E-1 00.00000E+0 20.41186E+2 00.00000E+0 00.00000E+0 - -+2.000H+ +2.000F- +1.000B(OH)4- -2.000H2O = BF2(OH)2- - log_k +16.97 #77NOR/JEN - delta_h -38.702 #kJ/mol 77NOR/JEN -# Enthalpy of formation: -1482.858 kJ/mol - -analytic 10.18970E+0 00.00000E+0 20.21546E+2 00.00000E+0 00.00000E+0 - -+3.000H+ +3.000F- +1.000B(OH)4- -3.000H2O = BF3(OH)- - log_k +23.01 #77NOR/JEN - delta_h -38.326 #kJ/mol 77NOR/JEN -# Enthalpy of formation: -1532.002 kJ/mol - -analytic 16.29557E+0 00.00000E+0 20.01906E+2 00.00000E+0 00.00000E+0 - -+4.000H+ +4.000F- +1.000B(OH)4- -4.000H2O = BF4- - log_k +29.62 #77NOR/JEN - delta_h +73.680 #kJ/mol 77NOR/JEN -# Enthalpy of formation: -1469.516 kJ/mol - -analytic 42.52818E+0 00.00000E+0 -38.48574E+2 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000Acetate- = Ca(Acetate)+ - log_k +1.12 #95DER/DIG - delta_h +0.143 #kJ/mol -# Enthalpy of formation: -1028.867 kJ/mol - -analytic 11.45053E-1 00.00000E+0 -74.69410E-1 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000Adipate-2 = Ca(Adipate) - log_k +2.19 #04MAR/SMI from 40TOP/DAV - -analytic 21.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 -3.000H+ +1.000Am+3 +3.000H2O = Ca(Am(OH)3)+2 - log_k -26.30 #07RAB/ALT - -analytic -26.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000AsO4-3 = Ca(AsO4)- - log_k +5.77 #10MAR/ACC - -analytic 57.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000Cit-3 = Ca(Cit)- - log_k +4.80 #05HUM/AND - delta_h +0.000 #kJ/mol 05HUM/AND -# Enthalpy of formation: -2062.920 kJ/mol - -analytic 48.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 -3.000H+ +1.000Cm+3 +3.000H2O = Ca(Cm(OH)3)+2 - log_k -26.30 #07RAB/ALT - -analytic -26.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000Edta-4 = Ca(Edta)-2 - log_k +12.69 #05HUM/AND - delta_h -22.200 #kJ/mol 05HUM/AND -# Enthalpy of formation: -2270.000 kJ/mol - -analytic 88.00727E-1 00.00000E+0 11.59587E+2 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000Eu+3 -3.000H+ +3.000H2O = Ca(Eu(OH)3)+2 - log_k -26.30 #07RAB/ALT - -analytic -26.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +2.000H+ +1.000AsO4-3 = Ca(H2AsO4)+ - log_k +19.87 #10MAR/ACC - -analytic 19.87000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +2.000H+ +1.000Cit-3 = Ca(H2Cit)+ - log_k +12.67 #05HUM/AND - -analytic 12.67000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000H2(PO4)- = Ca(H2PO4)+ - log_k +1.41 #68CHU/MAR - delta_h +14.226 #kJ/mol 68CHU/MAR -# Enthalpy of formation: -1831.374 kJ/mol - -analytic 39.02288E-1 00.00000E+0 -74.30757E+1 00.00000E+0 00.00000E+0 - -+1.000Ca+2 -1.000H+ +1.000H4(SiO4) = Ca(H3SiO4)+ - log_k -8.83 #97SVE/SHO - delta_h +31.633 #kJ/mol -# Enthalpy of formation: -1972.561 kJ/mol - -analytic -32.88136E-1 00.00000E+0 -16.52307E+2 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000H+ +1.000AsO4-3 = Ca(HAsO4) - log_k +13.90 #10MAR/ACC - -analytic 13.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000H+ +1.000Cit-3 = Ca(HCit) - log_k +9.28 #05HUM/AND - -analytic 92.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000H+ +1.000CO3-2 = Ca(HCO3)+ - log_k +11.43 #96BOU1 - delta_h -23.595 #kJ/mol -# Enthalpy of formation: -1241.826 kJ/mol - -analytic 72.96333E-1 00.00000E+0 12.32453E+2 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000H+ +1.000Edta-4 = Ca(HEdta)- - log_k +16.23 #05HUM/AND - -analytic 16.23000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000HGlu- = Ca(HGlu)+ - log_k +1.73 #52SCH/LIN - -analytic 17.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000HIsa- = Ca(HIsa)+ - log_k +1.70 #05HUM/AND - -analytic 17.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000H+ +1.000Malonate-2 = Ca(HMalonate)+ - log_k +6.64 #13GRI/CAM - -analytic 66.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000H+ +1.000Nta-3 = Ca(HNta) - log_k +13.40 #95AKR/BOU - -analytic 13.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +2.000H+ +2.000Nta-3 = Ca(HNta)2-2 - log_k +23.63 #95AKR/BOU - -analytic 23.63000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 -3.000H+ +1.000Ho+3 +3.000H2O = Ca(Ho(OH)3)+2 - log_k -26.30 #07RAB/ALT - -analytic -26.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000H+ +1.000Phthalat-2 = Ca(HPhthalat)+ - log_k +6.42 #85DAN/DER - -analytic 64.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 -1.000H+ +1.000H2(PO4)- = Ca(HPO4) - log_k -4.47 #68CHU/MAR - delta_h +17.407 #kJ/mol 68CHU/MAR -# Enthalpy of formation: -1828.193 kJ/mol - -analytic -14.20425E-1 00.00000E+0 -90.92309E+1 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000H+ +1.000Pyrophos-4 = Ca(HPyrophos)- - log_k +13.80 #88CHA/NEW - -analytic 13.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000H+ +1.000Succinat-2 = Ca(HSuccinat)+ - log_k +6.79 #13GRI/CAM - -analytic 67.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000IO3- = Ca(IO3)+ - log_k +0.40 #estimation NEA87 08/2/95 - -analytic 40.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 -1.000H+ +1.000HIsa- = Ca(Isa) - log_k -10.40 #05HUM/AND - -analytic -10.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000Malonate-2 = Ca(Malonate) - log_k +2.43 #13GRI/CAM - -analytic 24.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000NH3 = Ca(NH3)+2 - log_k -0.10 #88CHA/NEW - -analytic -10.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +2.000NH3 = Ca(NH3)2+2 - log_k -0.70 #88CHA/NEW - -analytic -70.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +3.000NH3 = Ca(NH3)3+2 - log_k -1.50 #88CHA/NEW - -analytic -15.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +4.000NH3 = Ca(NH3)4+2 - log_k -2.60 #88CHA/NEW - -analytic -26.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000NpO2+ -2.000H+ +2.000H2O = Ca(NpO2(OH)2)+ - log_k -20.60 #20GRE/GAO - -analytic -20.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000Nta-3 = Ca(Nta)- - log_k +7.73 #95AKR/BOU - -analytic 77.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 -1.000H+ +1.000HGlu- +1.000H2O = Ca(OH)(HGlu) - log_k -10.40 #02TIT/WIE - -analytic -10.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 -1.000H+ +1.000H2O = Ca(OH)+ - log_k -12.78 #87GAR/PAR - delta_h +77.207 #kJ/mol -# Enthalpy of formation: -751.623 kJ/mol - -analytic 74.60858E-2 00.00000E+0 -40.32802E+2 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000Ox-2 = Ca(Ox) - log_k +3.19 #05HUM/AND - delta_h +6.811 #kJ/mol -# Enthalpy of formation: -1366.849 kJ/mol - -analytic 43.83236E-1 00.00000E+0 -35.57633E+1 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +2.000Ox-2 = Ca(Ox)2-2 - log_k +4.02 #05HUM/AND - -analytic 40.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000Phthalat-2 = Ca(Phthalat) - log_k +2.49 #85DAN/DER - -analytic 24.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 -2.000H+ +1.000H2(PO4)- = Ca(PO4)- - log_k -13.10 #68CHU/MAR - delta_h +31.170 #kJ/mol 68CHU/MAR -# Enthalpy of formation: -1814.430 kJ/mol - -analytic -76.39250E-1 00.00000E+0 -16.28122E+2 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000Pyrophos-4 = Ca(Pyrophos)-2 - log_k +7.50 #88CHA/NEW - -analytic 75.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000S2O3-2 = Ca(S2O3) - log_k +1.35 - delta_h +3.786 #kJ/mol + -analytic 15.73439E-1 00E+0 -34.98609E+1 00E+0 00E+0 + +Ba+2 + UO2+2 + 3 CO3-2 = BaUO2(CO3)3-2 + log_k 25.6 #20GRE/GAO + -analytic 25.6E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + CO3-2 + H2O + Be+2 = Be(OH)(CO3)- + log_k 1.85 #87BRU/GRE + -analytic 18.5E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + H2O + Be+2 = Be(OH)+ + log_k -5.49 #17CAM/COL + -analytic -54.9E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + 2 H2O + Be+2 = Be(OH)2 + log_k -13.7 #20ÇEV/GAO + -analytic -13.7E+0 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + CO3-2 + 2 H2O + Be+2 = Be(OH)2(CO3)-2 + log_k -6.04 #87BRU/GRE + -analytic -60.4E-1 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ + 3 H2O + Be+2 = Be(OH)3- + log_k -24.3 #20ÇEV/GAO + -analytic -24.3E+0 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + 4 H2O + Be+2 = Be(OH)4-2 + log_k -37.6 #20ÇEV/GAO + -analytic -37.6E+0 00E+0 00E+0 00E+0 00E+0 + +2 SO4-2 + Be+2 = Be(SO4)2-2 + log_k 3.35 #67SEI/SAK + -analytic 33.5E-1 00E+0 00E+0 00E+0 00E+0 + +3 SO4-2 + Be+2 = Be(SO4)3-4 + log_k 4.58 #67SEI/SAK + -analytic 45.8E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + H2O + 2 Be+2 = Be2(OH)+3 + log_k -3.47 #87BRU + delta_h 20.42 #kJ/mol 67MES/BAE +# Enthalpy of formation: -1031.010 kJ/mol + -analytic 10.74304E-2 00E+0 -10.66611E+2 00E+0 00E+0 + +- H+ + CO3-2 + H2O + 3 Be+2 = Be3(OH)(CO3)+3 + log_k 9.47 #87BRU/GRE + -analytic 94.7E-1 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ + 3 CO3-2 + 3 H2O + 3 Be+2 = Be3(OH)3(CO3)3-3 + log_k 9.04 #87BRU/GRE + -analytic 90.4E-1 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ + 3 H2O + 3 Be+2 = Be3(OH)3+3 + log_k -8.86 #87BRU + delta_h 66.944 #kJ/mol 67MES/BAE +# Enthalpy of formation: -1938.946 kJ/mol + -analytic 28.68085E-1 00E+0 -34.96729E+2 00E+0 00E+0 + +- 4 H+ + 3 CO3-2 + 4 H2O + 3 Be+2 = Be3(OH)4(CO3)3-4 + log_k 1.06 #87BRU/GRE + -analytic 10.6E-1 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + CO3-2 + 4 H2O + 5 Be+2 = Be5(OH)4(CO3)+4 + log_k 1.16 #87BRU/GREa + -analytic 11.6E-1 00E+0 00E+0 00E+0 00E+0 + +- 6 H+ + 6 H2O + 5 Be+2 = Be5(OH)6+4 + log_k -19.5 #87BRU + -analytic -19.5E+0 00E+0 00E+0 00E+0 00E+0 + +- 5 H+ + 2 CO3-2 + 5 H2O + 6 Be+2 = Be6(OH)5(CO3)2+3 + log_k 8.91 #87BRU/GREa + -analytic 89.1E-1 00E+0 00E+0 00E+0 00E+0 + +- 8 H+ + 8 H2O + 6 Be+2 = Be6(OH)8+4 + log_k -26.3 #87BRU + -analytic -26.3E+0 00E+0 00E+0 00E+0 00E+0 + +Cl- + Be+2 = BeCl+ + log_k 0.19 #65MOR/JON + -analytic 19E-2 00E+0 00E+0 00E+0 00E+0 + +CO3-2 + Be+2 = BeCO3 + log_k 8.57 #87BRU/GRE + -analytic 85.7E-1 00E+0 00E+0 00E+0 00E+0 + +F- + Be+2 = BeF+ + log_k 5.52 #69MES/BAE + delta_h -1.464 #kJ/mol 69MES/BAE +# Enthalpy of formation: -719.614 kJ/mol + -analytic 52.63518E-1 00E+0 76.47005E+0 00E+0 00E+0 + +2 F- + Be+2 = BeF2 + log_k 9.67 #69MES/BAE + delta_h -6.318 #kJ/mol 69MES/BAE +# Enthalpy of formation: -1059.818 kJ/mol + -analytic 85.63134E-1 00E+0 33.00121E+1 00E+0 00E+0 + +3 F- + Be+2 = BeF3- + log_k 12.44 #69MES/BAE + delta_h -7.531 #kJ/mol 69MES/BAE +# Enthalpy of formation: -1396.381 kJ/mol + -analytic 11.12063E+0 00E+0 39.33715E+1 00E+0 00E+0 + +4 F- + Be+2 = BeF4-2 + log_k 13.44 #69MES/BAE + delta_h -9.456 #kJ/mol 69MES/BAE +# Enthalpy of formation: -1733.656 kJ/mol + -analytic 11.78338E+0 00E+0 49.39213E+1 00E+0 00E+0 + +SO4-2 + Be+2 = BeSO4 + log_k 2.03 #62BEL/KOL + -analytic 20.3E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + F- + B(OH)4- - H2O = BF(OH)3- + log_k 8.94 #77NOR/JEN + delta_h -39.078 #kJ/mol 77NOR/JEN +# Enthalpy of formation: -1433.714 kJ/mol + -analytic 20.93828E-1 00E+0 20.41186E+2 00E+0 00E+0 + +2 H+ + 2 F- + B(OH)4- - 2 H2O = BF2(OH)2- + log_k 16.97 #77NOR/JEN + delta_h -38.702 #kJ/mol 77NOR/JEN +# Enthalpy of formation: -1482.858 kJ/mol + -analytic 10.1897E+0 00E+0 20.21546E+2 00E+0 00E+0 + +3 H+ + 3 F- + B(OH)4- - 3 H2O = BF3(OH)- + log_k 23.01 #77NOR/JEN + delta_h -38.326 #kJ/mol 77NOR/JEN +# Enthalpy of formation: -1532.002 kJ/mol + -analytic 16.29557E+0 00E+0 20.01906E+2 00E+0 00E+0 + +4 H+ + 4 F- + B(OH)4- - 4 H2O = BF4- + log_k 29.62 #77NOR/JEN + delta_h 73.68 #kJ/mol 77NOR/JEN +# Enthalpy of formation: -1469.516 kJ/mol + -analytic 42.52818E+0 00E+0 -38.48574E+2 00E+0 00E+0 + +Ca+2 + Acetate- = Ca(Acetate)+ + log_k 1.12 #95DER/DIG + delta_h 0.143 #kJ/mol +# Enthalpy of formation: -1028.867 kJ/mol + -analytic 11.45053E-1 00E+0 -74.6941E-1 00E+0 00E+0 + +Ca+2 + Adipate-2 = Ca(Adipate) + log_k 2.19 #04MAR/SMI from 40TOP/DAV + -analytic 21.9E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 - 3 H+ + Am+3 + 3 H2O = Ca(Am(OH)3)+2 + log_k -26.3 #07RAB/ALT + -analytic -26.3E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + AsO4-3 = Ca(AsO4)- + log_k 5.77 #10MAR/ACC + -analytic 57.7E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + Cit-3 = Ca(Cit)- + log_k 4.8 #05HUM/AND + delta_h 0 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2062.920 kJ/mol + -analytic 48E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 - 3 H+ + Cm+3 + 3 H2O = Ca(Cm(OH)3)+2 + log_k -26.3 #07RAB/ALT + -analytic -26.3E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + Edta-4 = Ca(Edta)-2 + log_k 12.69 #05HUM/AND + delta_h -22.2 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2270.000 kJ/mol + -analytic 88.00727E-1 00E+0 11.59587E+2 00E+0 00E+0 + +Ca+2 + Eu+3 - 3 H+ + 3 H2O = Ca(Eu(OH)3)+2 + log_k -26.3 #07RAB/ALT + -analytic -26.3E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + 2 H+ + AsO4-3 = Ca(H2AsO4)+ + log_k 19.87 #10MAR/ACC + -analytic 19.87E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + 2 H+ + Cit-3 = Ca(H2Cit)+ + log_k 12.67 #05HUM/AND + -analytic 12.67E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + H2(PO4)- = Ca(H2PO4)+ + log_k 1.41 #68CHU/MAR + delta_h 14.226 #kJ/mol 68CHU/MAR +# Enthalpy of formation: -1831.374 kJ/mol + -analytic 39.02288E-1 00E+0 -74.30757E+1 00E+0 00E+0 + +Ca+2 - H+ + H4(SiO4) = Ca(H3SiO4)+ + log_k -8.83 #97SVE/SHO + delta_h 31.633 #kJ/mol +# Enthalpy of formation: -1972.561 kJ/mol + -analytic -32.88136E-1 00E+0 -16.52307E+2 00E+0 00E+0 + +Ca+2 + H+ + AsO4-3 = Ca(HAsO4) + log_k 13.9 #10MAR/ACC + -analytic 13.9E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + H+ + Cit-3 = Ca(HCit) + log_k 9.28 #05HUM/AND + -analytic 92.8E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + H+ + CO3-2 = Ca(HCO3)+ + log_k 11.43 #96BOU1 + delta_h -23.595 #kJ/mol +# Enthalpy of formation: -1241.826 kJ/mol + -analytic 72.96333E-1 00E+0 12.32453E+2 00E+0 00E+0 + +Ca+2 + H+ + Edta-4 = Ca(HEdta)- + log_k 16.23 #05HUM/AND + -analytic 16.23E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + HGlu- = Ca(HGlu)+ + log_k 1.73 #52SCH/LIN + -analytic 17.3E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + HIsa- = Ca(HIsa)+ + log_k 1.7 #05HUM/AND + -analytic 17E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + H+ + Malonate-2 = Ca(HMalonate)+ + log_k 6.64 #13GRI/CAM + -analytic 66.4E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + H+ + Nta-3 = Ca(HNta) + log_k 13.4 #95AKR/BOU + -analytic 13.4E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + 2 H+ + 2 Nta-3 = Ca(HNta)2-2 + log_k 23.63 #95AKR/BOU + -analytic 23.63E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 - 3 H+ + Ho+3 + 3 H2O = Ca(Ho(OH)3)+2 + log_k -26.3 #07RAB/ALT + -analytic -26.3E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + H+ + Phthalat-2 = Ca(HPhthalat)+ + log_k 6.42 #85DAN/DER + -analytic 64.2E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 - H+ + H2(PO4)- = Ca(HPO4) + log_k -4.47 #68CHU/MAR + delta_h 17.407 #kJ/mol 68CHU/MAR +# Enthalpy of formation: -1828.193 kJ/mol + -analytic -14.20425E-1 00E+0 -90.92309E+1 00E+0 00E+0 + +Ca+2 + H+ + Pyrophos-4 = Ca(HPyrophos)- + log_k 13.8 #88CHA/NEW + -analytic 13.8E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + H+ + Succinat-2 = Ca(HSuccinat)+ + log_k 6.79 #13GRI/CAM + -analytic 67.9E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + IO3- = Ca(IO3)+ + log_k 0.4 #estimation NEA87 08/2/95 + -analytic 40E-2 00E+0 00E+0 00E+0 00E+0 + +Ca+2 - H+ + HIsa- = Ca(Isa) + log_k -10.4 #05HUM/AND + -analytic -10.4E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + Malonate-2 = Ca(Malonate) + log_k 2.43 #13GRI/CAM + -analytic 24.3E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + NH3 = Ca(NH3)+2 + log_k -0.1 #88CHA/NEW + -analytic -10E-2 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + 2 NH3 = Ca(NH3)2+2 + log_k -0.7 #88CHA/NEW + -analytic -70E-2 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + 3 NH3 = Ca(NH3)3+2 + log_k -1.5 #88CHA/NEW + -analytic -15E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + 4 NH3 = Ca(NH3)4+2 + log_k -2.6 #88CHA/NEW + -analytic -26E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + NpO2+ - 2 H+ + 2 H2O = Ca(NpO2(OH)2)+ + log_k -20.6 #20GRE/GAO + -analytic -20.6E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + Nta-3 = Ca(Nta)- + log_k 7.73 #95AKR/BOU + -analytic 77.3E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 - H+ + HGlu- + H2O = Ca(OH)(HGlu) + log_k -10.4 #02TIT/WIE + -analytic -10.4E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 - H+ + H2O = Ca(OH)+ + log_k -12.78 #87GAR/PAR + delta_h 77.207 #kJ/mol +# Enthalpy of formation: -751.623 kJ/mol + -analytic 74.60858E-2 00E+0 -40.32802E+2 00E+0 00E+0 + +Ca+2 + Ox-2 = Ca(Ox) + log_k 3.19 #05HUM/AND + delta_h 6.811 #kJ/mol +# Enthalpy of formation: -1366.849 kJ/mol + -analytic 43.83236E-1 00E+0 -35.57633E+1 00E+0 00E+0 + +Ca+2 + 2 Ox-2 = Ca(Ox)2-2 + log_k 4.02 #05HUM/AND + -analytic 40.2E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + Phthalat-2 = Ca(Phthalat) + log_k 2.49 #85DAN/DER + -analytic 24.9E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 - 2 H+ + H2(PO4)- = Ca(PO4)- + log_k -13.1 #68CHU/MAR + delta_h 31.17 #kJ/mol 68CHU/MAR +# Enthalpy of formation: -1814.430 kJ/mol + -analytic -76.3925E-1 00E+0 -16.28122E+2 00E+0 00E+0 + +Ca+2 + Pyrophos-4 = Ca(Pyrophos)-2 + log_k 7.5 #88CHA/NEW + -analytic 75E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + S2O3-2 = Ca(S2O3) + log_k 1.35 + delta_h 3.786 #kJ/mol # Enthalpy of formation: -1191.500 kJ/mol 03-91 MINTEQL-PSI - -analytic 20.13279E-1 00.00000E+0 -19.77566E+1 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000SeO4-2 = Ca(SeO4) - log_k +2.00 #05OLI/NOL - delta_h +1.475 #kJ/mol -# Enthalpy of formation: -1145.025 kJ/mol - -analytic 22.58409E-1 00.00000E+0 -77.04462E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000Sm+3 -3.000H+ +3.000H2O = Ca(Sm(OH)3)+2 - log_k -26.30 #07RAB/ALT - -analytic -26.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000SO4-2 = Ca(SO4) - log_k +2.31 #53BEL/GEO - delta_h +4.292 #kJ/mol -# Enthalpy of formation: -1448.047 kJ/mol - -analytic 30.61926E-1 00.00000E+0 -22.41868E+1 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000Succinat-2 = Ca(Succinat) - log_k +2.34 #13GRI/CAM - -analytic 23.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Ca+2 -4.000H+ +1.000Am+3 +4.000H2O = Ca2(Am(OH)4)+3 - log_k -37.20 #07RAB/ALT - -analytic -37.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Ca+2 -4.000H+ +1.000Cm+3 +4.000H2O = Ca2(Cm(OH)4)+3 - log_k -37.20 #07RAB/ALT - -analytic -37.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Ca+2 +1.000Eu+3 -4.000H+ +4.000H2O = Ca2(Eu(OH)4)+3 - log_k -37.20 #07RAB/ALT - -analytic -37.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Ca+2 -4.000H+ +1.000Ho+3 +4.000H2O = Ca2(Ho(OH)4)+3 - log_k -37.20 #07RAB/ALT - -analytic -37.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Ca+2 +1.000Sm+3 -4.000H+ +4.000H2O = Ca2(Sm(OH)4)+3 - log_k -37.20 #07RAB/ALT - -analytic -37.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Ca+2 +1.000UO2+2 +3.000CO3-2 = Ca2UO2(CO3)3 - log_k +30.80 #20GRE/GAO - delta_h -47.000 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -4177.690 kJ/mol - -analytic 22.56595E+0 00.00000E+0 24.54981E+2 00.00000E+0 00.00000E+0 - -+3.000Ca+2 -6.000H+ +1.000Am+3 +6.000H2O = Ca3(Am(OH)6)+3 - log_k -60.70 #07RAB/ALT - -analytic -60.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+3.000Ca+2 -6.000H+ +1.000Cm+3 +6.000H2O = Ca3(Cm(OH)6)+3 - log_k -60.70 #07RAB/ALT - -analytic -60.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+3.000Ca+2 +1.000Eu+3 -6.000H+ +6.000H2O = Ca3(Eu(OH)6)+3 - log_k -60.70 #07RAB/ALT - -analytic -60.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+3.000Ca+2 -6.000H+ +1.000Ho+3 +6.000H2O = Ca3(Ho(OH)6)+3 - log_k -60.70 #07RAB/ALT - -analytic -60.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+3.000Ca+2 +1.000NpO2+ -5.000H+ +5.000H2O = Ca3(NpO2(OH)5)+2 - log_k -54.80 #20GRE/GAO - -analytic -54.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+3.000Ca+2 +1.000Sm+3 -6.000H+ +6.000H2O = Ca3(Sm(OH)6)+3 - log_k -60.70 #07RAB/ALT - -analytic -60.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+4.000Ca+2 +1.000Pu+4 -8.000H+ +8.000H2O = Ca4Pu(OH)8+4 - log_k -56.97 #20GRE/GAO - -analytic -56.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+4.000Ca+2 +1.000Th+4 -8.000H+ +8.000H2O = Ca4Th(OH)8+4 - log_k -63.10 #08ALT/NEC - -analytic -63.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000B(OH)4- = CaB(OH)4+ - log_k +1.80 #97CRO - -analytic 18.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000CO3-2 = CaCO3 - log_k +3.22 #96BOU1 - delta_h +14.830 #kJ/mol + -analytic 20.13279E-1 00E+0 -19.77566E+1 00E+0 00E+0 + +Ca+2 + SeO4-2 = Ca(SeO4) + log_k 2 #05OLI/NOL + delta_h 1.475 #kJ/mol +# Enthalpy of formation: -1145.025 kJ/mol + -analytic 22.58409E-1 00E+0 -77.04462E+0 00E+0 00E+0 + +Ca+2 + Sm+3 - 3 H+ + 3 H2O = Ca(Sm(OH)3)+2 + log_k -26.3 #07RAB/ALT + -analytic -26.3E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + SO4-2 = Ca(SO4) + log_k 2.31 #53BEL/GEO + delta_h 4.292 #kJ/mol +# Enthalpy of formation: -1448.047 kJ/mol + -analytic 30.61926E-1 00E+0 -22.41868E+1 00E+0 00E+0 + +Ca+2 + Succinat-2 = Ca(Succinat) + log_k 2.34 #13GRI/CAM + -analytic 23.4E-1 00E+0 00E+0 00E+0 00E+0 + +2 Ca+2 - 4 H+ + Am+3 + 4 H2O = Ca2(Am(OH)4)+3 + log_k -37.2 #07RAB/ALT + -analytic -37.2E+0 00E+0 00E+0 00E+0 00E+0 + +2 Ca+2 - 4 H+ + Cm+3 + 4 H2O = Ca2(Cm(OH)4)+3 + log_k -37.2 #07RAB/ALT + -analytic -37.2E+0 00E+0 00E+0 00E+0 00E+0 + +2 Ca+2 + Eu+3 - 4 H+ + 4 H2O = Ca2(Eu(OH)4)+3 + log_k -37.2 #07RAB/ALT + -analytic -37.2E+0 00E+0 00E+0 00E+0 00E+0 + +2 Ca+2 - 4 H+ + Ho+3 + 4 H2O = Ca2(Ho(OH)4)+3 + log_k -37.2 #07RAB/ALT + -analytic -37.2E+0 00E+0 00E+0 00E+0 00E+0 + +2 Ca+2 + Sm+3 - 4 H+ + 4 H2O = Ca2(Sm(OH)4)+3 + log_k -37.2 #07RAB/ALT + -analytic -37.2E+0 00E+0 00E+0 00E+0 00E+0 + +2 Ca+2 + UO2+2 + 3 CO3-2 = Ca2UO2(CO3)3 + log_k 30.8 #20GRE/GAO + delta_h -47 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -4177.690 kJ/mol + -analytic 22.56595E+0 00E+0 24.54981E+2 00E+0 00E+0 + +3 Ca+2 - 6 H+ + Am+3 + 6 H2O = Ca3(Am(OH)6)+3 + log_k -60.7 #07RAB/ALT + -analytic -60.7E+0 00E+0 00E+0 00E+0 00E+0 + +3 Ca+2 - 6 H+ + Cm+3 + 6 H2O = Ca3(Cm(OH)6)+3 + log_k -60.7 #07RAB/ALT + -analytic -60.7E+0 00E+0 00E+0 00E+0 00E+0 + +3 Ca+2 + Eu+3 - 6 H+ + 6 H2O = Ca3(Eu(OH)6)+3 + log_k -60.7 #07RAB/ALT + -analytic -60.7E+0 00E+0 00E+0 00E+0 00E+0 + +3 Ca+2 - 6 H+ + Ho+3 + 6 H2O = Ca3(Ho(OH)6)+3 + log_k -60.7 #07RAB/ALT + -analytic -60.7E+0 00E+0 00E+0 00E+0 00E+0 + +3 Ca+2 + NpO2+ - 5 H+ + 5 H2O = Ca3(NpO2(OH)5)+2 + log_k -54.8 #20GRE/GAO + -analytic -54.8E+0 00E+0 00E+0 00E+0 00E+0 + +3 Ca+2 + Sm+3 - 6 H+ + 6 H2O = Ca3(Sm(OH)6)+3 + log_k -60.7 #07RAB/ALT + -analytic -60.7E+0 00E+0 00E+0 00E+0 00E+0 + +4 Ca+2 + Pu+4 - 8 H+ + 8 H2O = Ca4Pu(OH)8+4 + log_k -56.97 #20GRE/GAO + -analytic -56.97E+0 00E+0 00E+0 00E+0 00E+0 + +4 Ca+2 + Th+4 - 8 H+ + 8 H2O = Ca4Th(OH)8+4 + log_k -63.1 #08ALT/NEC + -analytic -63.1E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + B(OH)4- = CaB(OH)4+ + log_k 1.8 #97CRO + -analytic 18E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + CO3-2 = CaCO3 + log_k 3.22 #96BOU1 + delta_h 14.83 #kJ/mol # Enthalpy of formation: -1203.400 kJ/mol 96BOU1 - -analytic 58.18104E-1 00.00000E+0 -77.46248E+1 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000CrO4-2 = CaCrO4 - log_k +2.77 #00PER/PAL - -analytic 27.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000F- = CaF+ - log_k +0.94 #96BOU - delta_h +17.238 #kJ/mol 96BOU -# Enthalpy of formation: -861.112 kJ/mol - -analytic 39.59968E-1 00.00000E+0 -90.04034E+1 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000I- = CaI+ - log_k +0.14 #92JOH/OEL - -analytic 14.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +2.000I- = CaI2 - log_k -0.02 #92JOH/OEL - -analytic -20.00000E-3 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000Pu+4 -4.000H+ +1.000HIsa- +4.000H2O = CaPu(OH)4(HIsa)+ - log_k -1.66 #18TAS/GAO1 - -analytic -16.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000Pu+4 -5.000H+ +1.000HIsa- +5.000H2O = CaPu(OH)5(HIsa) - log_k -12.70 #18TAS/GAO1 - -analytic -12.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ca+2 +1.000UO2+2 +3.000CO3-2 = CaUO2(CO3)3-2 - log_k +27.00 #20GRE/GAO - delta_h -47.000 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -3634.690 kJ/mol - -analytic 18.76595E+0 00.00000E+0 24.54981E+2 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +1.000CO3-2 = Cd(CO3) - log_k +4.70 #91RAI/FEL1 - delta_h +4.299 #kJ/mol -# Enthalpy of formation: -746.851 kJ/mol - -analytic 54.53152E-1 00.00000E+0 -22.45524E+1 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +2.000CO3-2 = Cd(CO3)2-2 - log_k +6.50 #91RAI/FEL1 - -analytic 65.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +1.000H2(PO4)- = Cd(H2PO4)+ - log_k +1.80 #01AYA/MAD - -analytic 18.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +1.000H+ +1.000CO3-2 = Cd(HCO3)+ - log_k +11.83 #93STI/PAR - -analytic 11.83000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +2.000HS- = Cd(HS)2 - log_k +14.43 #99WAN/TES - -analytic 14.43000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +1.000NH3 = Cd(NH3)+2 - log_k +2.52 - -analytic 25.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +2.000NH3 = Cd(NH3)2+2 - log_k +4.87 - delta_h -27.965 #kJ/mol -# Enthalpy of formation: -266.225 kJ/mol - -analytic -29.25770E-3 00.00000E+0 14.60714E+2 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +3.000NH3 = Cd(NH3)3+2 - log_k +5.93 #ANDRA report (C RP 0ENQ 02-001, Interpolated - -analytic 59.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +4.000NH3 = Cd(NH3)4+2 - log_k +7.30 - delta_h -49.714 #kJ/mol -# Enthalpy of formation: -450.314 kJ/mol - -analytic -14.09519E-1 00.00000E+0 25.96743E+2 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +1.000NO3- = Cd(NO3)+ - log_k +0.46 #74FED/ROB in 82HÖG - delta_h -21.757 #kJ/mol 74NAU/RYZ in 91BAL/NOR -# Enthalpy of formation: -304.527 kJ/mol - -analytic -33.51663E-1 00.00000E+0 11.36447E+2 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +2.000NO3- = Cd(NO3)2 - log_k +0.17 #97CRO - -analytic 17.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cd+2 -1.000H+ +1.000H2O = Cd(OH)+ - log_k -10.08 #81BAE/MES - delta_h +54.810 #kJ/mol 81BAE/MES -# Enthalpy of formation: -306.940 kJ/mol - -analytic -47.77002E-2 00.00000E+0 -28.62926E+2 00.00000E+0 00.00000E+0 - -+1.000Cd+2 -2.000H+ +2.000H2O = Cd(OH)2 - log_k -20.90 #91RAI/FEL1 - delta_h +114.900 #kJ/mol -# Enthalpy of formation: -532.680 kJ/mol - -analytic -77.03841E-2 00.00000E+0 -60.01645E+2 00.00000E+0 00.00000E+0 - -+1.000Cd+2 -3.000H+ +3.000H2O = Cd(OH)3- - log_k -33.30 #81BAE/MES - delta_h +156.416 #kJ/mol -# Enthalpy of formation: -776.994 kJ/mol - -analytic -58.97093E-1 00.00000E+0 -81.70177E+2 00.00000E+0 00.00000E+0 - -+1.000Cd+2 -4.000H+ +4.000H2O = Cd(OH)4-2 - log_k -47.48 #91RAI/FEL1 - delta_h +229.570 #kJ/mol -# Enthalpy of formation: -989.669 kJ/mol - -analytic -72.61062E-1 00.00000E+0 -11.99128E+3 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +1.000Pyrophos-4 = Cd(Pyrophos)-2 - log_k +8.70 #92CLE/DER - -analytic 87.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +1.000S2O3-2 = Cd(S2O3) - log_k +2.46 - delta_h +5.405 #kJ/mol + -analytic 58.18104E-1 00E+0 -77.46248E+1 00E+0 00E+0 + +Ca+2 + CrO4-2 = CaCrO4 + log_k 2.77 #00PER/PAL + -analytic 27.7E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + F- = CaF+ + log_k 0.94 #96BOU + delta_h 17.238 #kJ/mol 96BOU +# Enthalpy of formation: -861.112 kJ/mol + -analytic 39.59968E-1 00E+0 -90.04034E+1 00E+0 00E+0 + +Ca+2 + I- = CaI+ + log_k 0.14 #92JOH/OEL + -analytic 14E-2 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + 2 I- = CaI2 + log_k -0.02 #92JOH/OEL + -analytic -20E-3 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + Pu+4 - 4 H+ + HIsa- + 4 H2O = CaPu(OH)4(HIsa)+ + log_k -1.66 #18TAS/GAO1 + -analytic -16.6E-1 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + Pu+4 - 5 H+ + HIsa- + 5 H2O = CaPu(OH)5(HIsa) + log_k -12.7 #18TAS/GAO1 + -analytic -12.7E+0 00E+0 00E+0 00E+0 00E+0 + +Ca+2 + UO2+2 + 3 CO3-2 = CaUO2(CO3)3-2 + log_k 27 #20GRE/GAO + delta_h -47 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -3634.690 kJ/mol + -analytic 18.76595E+0 00E+0 24.54981E+2 00E+0 00E+0 + +Cd+2 + CO3-2 = Cd(CO3) + log_k 4.7 #91RAI/FEL1 + delta_h 4.299 #kJ/mol +# Enthalpy of formation: -746.851 kJ/mol + -analytic 54.53152E-1 00E+0 -22.45524E+1 00E+0 00E+0 + +Cd+2 + 2 CO3-2 = Cd(CO3)2-2 + log_k 6.5 #91RAI/FEL1 + -analytic 65E-1 00E+0 00E+0 00E+0 00E+0 + +Cd+2 + H2(PO4)- = Cd(H2PO4)+ + log_k 1.8 #01AYA/MAD + -analytic 18E-1 00E+0 00E+0 00E+0 00E+0 + +Cd+2 + H+ + CO3-2 = Cd(HCO3)+ + log_k 11.83 #93STI/PAR + -analytic 11.83E+0 00E+0 00E+0 00E+0 00E+0 + +Cd+2 + 2 HS- = Cd(HS)2 + log_k 14.43 #99WAN/TES + -analytic 14.43E+0 00E+0 00E+0 00E+0 00E+0 + +Cd+2 + NH3 = Cd(NH3)+2 + log_k 2.52 + -analytic 25.2E-1 00E+0 00E+0 00E+0 00E+0 + +Cd+2 + 2 NH3 = Cd(NH3)2+2 + log_k 4.87 + delta_h -27.965 #kJ/mol +# Enthalpy of formation: -266.225 kJ/mol + -analytic -29.2577E-3 00E+0 14.60714E+2 00E+0 00E+0 + +Cd+2 + 3 NH3 = Cd(NH3)3+2 + log_k 5.93 #ANDRA report (C RP 0ENQ 02-001, Interpolated + -analytic 59.3E-1 00E+0 00E+0 00E+0 00E+0 + +Cd+2 + 4 NH3 = Cd(NH3)4+2 + log_k 7.3 + delta_h -49.714 #kJ/mol +# Enthalpy of formation: -450.314 kJ/mol + -analytic -14.09519E-1 00E+0 25.96743E+2 00E+0 00E+0 + +Cd+2 + NO3- = Cd(NO3)+ + log_k 0.46 #74FED/ROB in 82HÖG + delta_h -21.757 #kJ/mol 74NAU/RYZ in 91BAL/NOR +# Enthalpy of formation: -304.527 kJ/mol + -analytic -33.51663E-1 00E+0 11.36447E+2 00E+0 00E+0 + +Cd+2 + 2 NO3- = Cd(NO3)2 + log_k 0.17 #97CRO + -analytic 17E-2 00E+0 00E+0 00E+0 00E+0 + +Cd+2 - H+ + H2O = Cd(OH)+ + log_k -10.08 #81BAE/MES + delta_h 54.81 #kJ/mol 81BAE/MES +# Enthalpy of formation: -306.940 kJ/mol + -analytic -47.77002E-2 00E+0 -28.62926E+2 00E+0 00E+0 + +Cd+2 - 2 H+ + 2 H2O = Cd(OH)2 + log_k -20.9 #91RAI/FEL1 + delta_h 114.9 #kJ/mol +# Enthalpy of formation: -532.680 kJ/mol + -analytic -77.03841E-2 00E+0 -60.01645E+2 00E+0 00E+0 + +Cd+2 - 3 H+ + 3 H2O = Cd(OH)3- + log_k -33.3 #81BAE/MES + delta_h 156.416 #kJ/mol +# Enthalpy of formation: -776.994 kJ/mol + -analytic -58.97093E-1 00E+0 -81.70177E+2 00E+0 00E+0 + +Cd+2 - 4 H+ + 4 H2O = Cd(OH)4-2 + log_k -47.48 #91RAI/FEL1 + delta_h 229.57 #kJ/mol +# Enthalpy of formation: -989.669 kJ/mol + -analytic -72.61062E-1 00E+0 -11.99128E+3 00E+0 00E+0 + +Cd+2 + Pyrophos-4 = Cd(Pyrophos)-2 + log_k 8.7 #92CLE/DER + -analytic 87E-1 00E+0 00E+0 00E+0 00E+0 + +Cd+2 + S2O3-2 = Cd(S2O3) + log_k 2.46 + delta_h 5.405 #kJ/mol # Enthalpy of formation: -722.801 kJ/mol 74NAU/RYZ - -analytic 34.06915E-1 00.00000E+0 -28.23228E+1 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +1.000SeO4-2 = Cd(SeO4) - log_k +2.27 #05OLI/NOL - delta_h +8.300 #kJ/mol 05OLI/NOL -# Enthalpy of formation: -671.120 kJ/mol - -analytic 37.24098E-1 00.00000E+0 -43.35392E+1 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +1.000SO4-2 = Cd(SO4) - log_k +2.37 #97MAR/SMI - delta_h +8.700 #kJ/mol 97MAR/SMI -# Enthalpy of formation: -976.560 kJ/mol - -analytic 38.94175E-1 00.00000E+0 -45.44326E+1 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +2.000SO4-2 = Cd(SO4)2-2 - log_k +3.44 #76SMI/MAR - -analytic 34.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+4.000Cd+2 -4.000H+ +4.000H2O = Cd4(OH)4+4 - log_k -32.07 - delta_h +172.135 #kJ/mol + -analytic 34.06915E-1 00E+0 -28.23228E+1 00E+0 00E+0 + +Cd+2 + SeO4-2 = Cd(SeO4) + log_k 2.27 #05OLI/NOL + delta_h 8.3 #kJ/mol 05OLI/NOL +# Enthalpy of formation: -671.120 kJ/mol + -analytic 37.24098E-1 00E+0 -43.35392E+1 00E+0 00E+0 + +Cd+2 + SO4-2 = Cd(SO4) + log_k 2.37 #97MAR/SMI + delta_h 8.7 #kJ/mol 97MAR/SMI +# Enthalpy of formation: -976.560 kJ/mol + -analytic 38.94175E-1 00E+0 -45.44326E+1 00E+0 00E+0 + +Cd+2 + 2 SO4-2 = Cd(SO4)2-2 + log_k 3.44 #76SMI/MAR + -analytic 34.4E-1 00E+0 00E+0 00E+0 00E+0 + +4 Cd+2 - 4 H+ + 4 H2O = Cd4(OH)4+4 + log_k -32.07 + delta_h 172.135 #kJ/mol # Enthalpy of formation: -1274.865 kJ/mol 99YUN/GLU - -analytic -19.13243E-1 00.00000E+0 -89.91237E+2 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +1.000Br- = CdBr+ - log_k +2.16 - delta_h -7.959 #kJ/mol -# Enthalpy of formation: -205.289 kJ/mol - -analytic 76.56431E-2 00.00000E+0 41.57275E+1 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +2.000Br- = CdBr2 - log_k +2.92 - delta_h -15.743 #kJ/mol -# Enthalpy of formation: -334.482 kJ/mol - -analytic 16.19448E-2 00.00000E+0 82.23142E+1 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +3.000Br- = CdBr3- - log_k +3.19 - delta_h -28.846 #kJ/mol -# Enthalpy of formation: -468.995 kJ/mol - -analytic -18.63602E-1 00.00000E+0 15.06732E+2 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +1.000Cl- = CdCl+ - log_k +1.97 #76BAE/MES - delta_h -5.520 #kJ/mol -# Enthalpy of formation: -248.520 kJ/mol - -analytic 10.02938E-1 00.00000E+0 28.83297E+1 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +2.000Cl- = CdCl2 - log_k +2.59 #76BAE/MES - delta_h -14.068 #kJ/mol -# Enthalpy of formation: -424.148 kJ/mol - -analytic 12.53922E-2 00.00000E+0 73.48228E+1 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +3.000Cl- = CdCl3- - log_k +2.40 #76BAE/MES - delta_h -25.804 #kJ/mol -# Enthalpy of formation: -602.963 kJ/mol - -analytic -21.20667E-1 00.00000E+0 13.47837E+2 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +4.000Cl- = CdCl4-2 - log_k +1.47 #76BAE/MES - delta_h -44.765 #kJ/mol -# Enthalpy of formation: -789.004 kJ/mol - -analytic -63.72491E-1 00.00000E+0 23.38239E+2 00.00000E+0 00.00000E+0 - -+1.000Cd+2 -1.000H+ +1.000H2(PO4)- = CdHPO4 - log_k -2.38 #01AYA/MAD - -analytic -23.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +1.000HS- = CdHS+ - log_k +7.38 #99WAN/TES - -analytic 73.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +1.000I- = CdI+ - log_k +2.09 - delta_h -8.739 #kJ/mol -# Enthalpy of formation: -141.439 kJ/mol - -analytic 55.89929E-2 00.00000E+0 45.64698E+1 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +2.000I- = CdI2 - log_k +3.53 - delta_h -18.988 #kJ/mol -# Enthalpy of formation: -208.468 kJ/mol - -analytic 20.34452E-2 00.00000E+0 99.18123E+1 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +3.000I- = CdI3- - log_k +4.64 - delta_h -38.648 #kJ/mol -# Enthalpy of formation: -284.907 kJ/mol - -analytic -21.30839E-1 00.00000E+0 20.18726E+2 00.00000E+0 00.00000E+0 - -+1.000Cd+2 +4.000I- = CdI4-2 - log_k +5.48 - delta_h -75.610 #kJ/mol -# Enthalpy of formation: -378.649 kJ/mol - -analytic -77.66303E-1 00.00000E+0 39.49385E+2 00.00000E+0 00.00000E+0 - --1.000H+ +1.000CH4 = CH3- - log_k -46.00 #18BLA/BUR - -analytic -46.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000CH4 +1.000Hg+2 = CH3Hg+ - log_k +3.00 #18BLA/BUR - -analytic 30.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000Cl- +1.000CH4 +1.000Hg+2 = CH3HgCl - log_k +8.45 #18BLA/BUR - -analytic 84.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000CO3-2 +1.000CH4 +1.000Hg+2 = CH3HgCO3- - log_k +9.10 #18BLA/BUR - -analytic 91.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000CO3-2 +1.000CH4 +1.000Hg+2 = CH3HgHCO3 - log_k +15.93 #18BLA/BUR - -analytic 15.93000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +1.000CH4 +1.000H2O +1.000Hg+2 = CH3HgOH - log_k -1.53 #18BLA/BUR - -analytic -15.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +1.000HS- +1.000CH4 +1.000Hg+2 = CH3HgS- - log_k +7.00 #18BLA/BUR - -analytic 70.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000HS- +1.000CH4 +1.000Hg+2 = CH3HgSH - log_k +17.50 #18BLA/BUR - -analytic 17.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000SO4-2 +1.000CH4 +1.000Hg+2 = CH3HgSO4- - log_k +5.64 #18BLA/BUR - -analytic 56.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000e- +2.000Cl- = Cl2 - log_k -47.21 - delta_h +310.760 #kJ/mol + -analytic -19.13243E-1 00E+0 -89.91237E+2 00E+0 00E+0 + +Cd+2 + Br- = CdBr+ + log_k 2.16 + delta_h -7.959 #kJ/mol +# Enthalpy of formation: -205.289 kJ/mol + -analytic 76.56431E-2 00E+0 41.57275E+1 00E+0 00E+0 + +Cd+2 + 2 Br- = CdBr2 + log_k 2.92 + delta_h -15.743 #kJ/mol +# Enthalpy of formation: -334.482 kJ/mol + -analytic 16.19448E-2 00E+0 82.23142E+1 00E+0 00E+0 + +Cd+2 + 3 Br- = CdBr3- + log_k 3.19 + delta_h -28.846 #kJ/mol +# Enthalpy of formation: -468.995 kJ/mol + -analytic -18.63602E-1 00E+0 15.06732E+2 00E+0 00E+0 + +Cd+2 + Cl- = CdCl+ + log_k 1.97 #76BAE/MES + delta_h -5.52 #kJ/mol +# Enthalpy of formation: -248.520 kJ/mol + -analytic 10.02938E-1 00E+0 28.83297E+1 00E+0 00E+0 + +Cd+2 + 2 Cl- = CdCl2 + log_k 2.59 #76BAE/MES + delta_h -14.068 #kJ/mol +# Enthalpy of formation: -424.148 kJ/mol + -analytic 12.53922E-2 00E+0 73.48228E+1 00E+0 00E+0 + +Cd+2 + 3 Cl- = CdCl3- + log_k 2.4 #76BAE/MES + delta_h -25.804 #kJ/mol +# Enthalpy of formation: -602.963 kJ/mol + -analytic -21.20667E-1 00E+0 13.47837E+2 00E+0 00E+0 + +Cd+2 + 4 Cl- = CdCl4-2 + log_k 1.47 #76BAE/MES + delta_h -44.765 #kJ/mol +# Enthalpy of formation: -789.004 kJ/mol + -analytic -63.72491E-1 00E+0 23.38239E+2 00E+0 00E+0 + +Cd+2 - H+ + H2(PO4)- = CdHPO4 + log_k -2.38 #01AYA/MAD + -analytic -23.8E-1 00E+0 00E+0 00E+0 00E+0 + +Cd+2 + HS- = CdHS+ + log_k 7.38 #99WAN/TES + -analytic 73.8E-1 00E+0 00E+0 00E+0 00E+0 + +Cd+2 + I- = CdI+ + log_k 2.09 + delta_h -8.739 #kJ/mol +# Enthalpy of formation: -141.439 kJ/mol + -analytic 55.89929E-2 00E+0 45.64698E+1 00E+0 00E+0 + +Cd+2 + 2 I- = CdI2 + log_k 3.53 + delta_h -18.988 #kJ/mol +# Enthalpy of formation: -208.468 kJ/mol + -analytic 20.34452E-2 00E+0 99.18123E+1 00E+0 00E+0 + +Cd+2 + 3 I- = CdI3- + log_k 4.64 + delta_h -38.648 #kJ/mol +# Enthalpy of formation: -284.907 kJ/mol + -analytic -21.30839E-1 00E+0 20.18726E+2 00E+0 00E+0 + +Cd+2 + 4 I- = CdI4-2 + log_k 5.48 + delta_h -75.61 #kJ/mol +# Enthalpy of formation: -378.649 kJ/mol + -analytic -77.66303E-1 00E+0 39.49385E+2 00E+0 00E+0 + +- H+ + CH4 = CH3- + log_k -46 #18BLA/BUR + -analytic -46E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + CH4 + Hg+2 = CH3Hg+ + log_k 3 #18BLA/BUR + -analytic 30E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + Cl- + CH4 + Hg+2 = CH3HgCl + log_k 8.45 #18BLA/BUR + -analytic 84.5E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + CO3-2 + CH4 + Hg+2 = CH3HgCO3- + log_k 9.1 #18BLA/BUR + -analytic 91E-1 00E+0 00E+0 00E+0 00E+0 + +CO3-2 + CH4 + Hg+2 = CH3HgHCO3 + log_k 15.93 #18BLA/BUR + -analytic 15.93E+0 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + CH4 + H2O + Hg+2 = CH3HgOH + log_k -1.53 #18BLA/BUR + -analytic -15.3E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + HS- + CH4 + Hg+2 = CH3HgS- + log_k 7 #18BLA/BUR + -analytic 70E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + HS- + CH4 + Hg+2 = CH3HgSH + log_k 17.5 #18BLA/BUR + -analytic 17.5E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + SO4-2 + CH4 + Hg+2 = CH3HgSO4- + log_k 5.64 #18BLA/BUR + -analytic 56.4E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 e- + 2 Cl- = Cl2 + log_k -47.21 + delta_h 310.76 #kJ/mol # Enthalpy of formation: -23.400 kJ/mol 82WAG/EVA - -analytic 72.32815E-1 00.00000E+0 -16.23213E+3 00.00000E+0 00.00000E+0 + -analytic 72.32815E-1 00E+0 -16.23213E+3 00E+0 00E+0 --8.000H+ -8.000e- +1.000Cl- +4.000H2O = ClO4- - log_k -187.79 - delta_h +1182.300 #kJ/mol +- 8 H+ - 8 e- + Cl- + 4 H2O = ClO4- + log_k -187.79 + delta_h 1182.3 #kJ/mol # Enthalpy of formation: -128.100 kJ/mol 89COX/WAG - -analytic 19.34007E+0 00.00000E+0 -61.75583E+3 00.00000E+0 00.00000E+0 - -+1.000Cm+3 +1.000Acetate- = Cm(Acetate)+2 - log_k +3.01 #11RIC/GRI - -analytic 30.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cm+3 +2.000Acetate- = Cm(Acetate)2+ - log_k +4.96 #12GRI/GAR2 - -analytic 49.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cm+3 +3.000Acetate- = Cm(Acetate)3 - log_k +6.30 #69MOS - -analytic 63.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cit-3 +1.000Cm+3 = Cm(Cit) - log_k +8.55 #Analogy with Am - -analytic 85.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Cit-3 +1.000Cm+3 = Cm(Cit)2-3 - log_k +13.90 #Analogy with Am - -analytic 13.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000CO3-2 +1.000Cm+3 = Cm(CO3)+ - log_k +7.90 #06DUR/CER - delta_h +16.981 #kJ/mol -# Enthalpy of formation: -1273.250 kJ/mol - -analytic 10.87494E+0 00.00000E+0 -88.69794E+1 00.00000E+0 00.00000E+0 - -+2.000CO3-2 +1.000Cm+3 = Cm(CO3)2- - log_k +12.60 #06DUR/CER - -analytic 12.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+3.000CO3-2 +1.000Cm+3 = Cm(CO3)3-3 - log_k +14.60 #06DUR/CER - -analytic 14.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Edta-4 +1.000Cm+3 = Cm(Edta)- - log_k +19.67 #Analogy with Am(Edta)- - -analytic 19.67000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H2(PO4)- +1.000Cm+3 = Cm(H2PO4)+2 - log_k +2.46 #20GRE/GAO - -analytic 24.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000Cit-3 +1.000Cm+3 = Cm(HCit)+ - log_k +12.86 #Analogy with Am - -analytic 12.86000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000H+ +2.000Cit-3 +1.000Cm+3 = Cm(HCit)2- - log_k +23.52 #Analogy with Am - -analytic 23.52000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000Edta-4 +1.000Cm+3 = Cm(HEdta) - log_k +21.84 #Analogy with Am(HEdta) - -analytic 21.84000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000H2(PO4)- +1.000Cm+3 = Cm(HPO4)+ - log_k -1.69 #Estimated by correlation with An(III) in function of ionic radii - -analytic -16.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +2.000H2(PO4)- +1.000Cm+3 = Cm(HPO4)2- - log_k -5.19 #Estimated by correlation with An(III) in function of ionic radii - -analytic -51.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NO3- +1.000Cm+3 = Cm(NO3)+2 - log_k +1.28 #20GRE/GAO - delta_h +1.800 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -820.050 kJ/mol - -analytic 15.95346E-1 00.00000E+0 -94.02055E+0 00.00000E+0 00.00000E+0 - -+2.000NO3- +1.000Cm+3 = Cm(NO3)2+ - log_k +0.88 #20GRE/GAO - delta_h +10.800 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -1017.900 kJ/mol - -analytic 27.72079E-1 00.00000E+0 -56.41233E+1 00.00000E+0 00.00000E+0 - -+1.000Nta-3 +1.000Cm+3 = Cm(Nta) - log_k +13.00 #Analogy with Am(Nta)(aq) - -analytic 13.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000Cm+3 +1.000H2O = Cm(OH)+2 - log_k -7.20 #03GUI/FAN - delta_h +38.510 #kJ/mol -# Enthalpy of formation: -862.320 kJ/mol - -analytic -45.33376E-2 00.00000E+0 -20.11517E+2 00.00000E+0 00.00000E+0 - --2.000H+ +1.000HGlu- +1.000Cm+3 +2.000H2O = Cm(OH)2(HGlu) - log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) - -analytic -10.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +1.000HIsa- +1.000Cm+3 +2.000H2O = Cm(OH)2(HIsa) - log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) - -analytic -10.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +1.000Cm+3 +2.000H2O = Cm(OH)2+ - log_k -15.10 #03GUI/FAN - delta_h +91.646 #kJ/mol -# Enthalpy of formation: -1095.013 kJ/mol - -analytic 95.56900E-2 00.00000E+0 -47.87004E+2 00.00000E+0 00.00000E+0 - --3.000H+ +1.000Cm+3 +3.000H2O = Cm(OH)3 - log_k -26.20 #03GUI/FAN - delta_h +153.826 #kJ/mol -# Enthalpy of formation: -1318.663 kJ/mol - -analytic 74.91584E-2 00.00000E+0 -80.34892E+2 00.00000E+0 00.00000E+0 - -+1.000Ox-2 +1.000Cm+3 = Cm(Ox)+ - log_k +6.48 #95AKR/BOU - -analytic 64.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Ox-2 +1.000Cm+3 = Cm(Ox)2- - log_k +10.40 #95AKR/BOU - -analytic 10.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+3.000Ox-2 +1.000Cm+3 = Cm(Ox)3-3 - log_k +12.84 #95AKR/BOU - -analytic 12.84000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cm+3 +1.000Phthalat-2 = Cm(Phthalat)+ - log_k +4.93 #11GRI/COL2 from 95PAN/KLE - -analytic 49.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +1.000H2(PO4)- +1.000Cm+3 = Cm(PO4) - log_k -7.65 #Estimated by correlation with An(III) in function of ionic radii. - -analytic -76.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --4.000H+ +2.000H2(PO4)- +1.000Cm+3 = Cm(PO4)2-3 - log_k -19.20 #Estimated by correlation with An(III) in function of ionic radii - -analytic -19.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000SO4-2 +1.000Cm+3 = Cm(SO4)+ - log_k +3.50 #20GRE/GAO - delta_h +40.000 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -1484.340 kJ/mol - -analytic 10.50770E+0 00.00000E+0 -20.89346E+2 00.00000E+0 00.00000E+0 - -+2.000SO4-2 +1.000Cm+3 = Cm(SO4)2- - log_k +5.00 #20GRE/GAO - delta_h +70.000 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -2363.680 kJ/mol - -analytic 17.26347E+0 00.00000E+0 -36.56355E+2 00.00000E+0 00.00000E+0 - -+1.000Cl- +1.000Cm+3 = CmCl+2 - log_k +0.24 #20GRE/GAO - delta_h +44.483 #kJ/mol -# Enthalpy of formation: -737.597 kJ/mol - -analytic 80.33087E-1 00.00000E+0 -23.23509E+2 00.00000E+0 00.00000E+0 - -+2.000Cl- +1.000Cm+3 = CmCl2+ - log_k -0.81 #20GRE/GAO - delta_h +54.900 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -894.260 kJ/mol - -analytic 88.08067E-1 00.00000E+0 -28.67627E+2 00.00000E+0 00.00000E+0 - -+1.000F- +1.000Cm+3 = CmF+2 - log_k +3.40 #20GRE/GAO - delta_h +12.100 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -938.250 kJ/mol - -analytic 55.19829E-1 00.00000E+0 -63.20270E+1 00.00000E+0 00.00000E+0 - -+2.000F- +1.000Cm+3 = CmF2+ - log_k +5.80 #20GRE/GAO - delta_h +45.100 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -1240.600 kJ/mol - -analytic 13.70118E+0 00.00000E+0 -23.55737E+2 00.00000E+0 00.00000E+0 - -+3.000F- +1.000Cm+3 = CmF3 - log_k +11.18 #69AZI/LYL - delta_h +15.371 #kJ/mol -# Enthalpy of formation: -1605.678 kJ/mol - -analytic 13.87288E+0 00.00000E+0 -80.28832E+1 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000CO3-2 +1.000Cm+3 = CmHCO3+2 - log_k +13.43 #03GUI/FAN, same as Am - -analytic 13.43000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000H4(SiO4) +1.000Cm+3 = CmSiO(OH)3+2 - log_k -2.31 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN - delta_h +47.963 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -2028.231 kJ/mol - -analytic 60.92757E-1 00.00000E+0 -25.05282E+2 00.00000E+0 00.00000E+0 - -+4.000H+ +2.000e- +1.000CO3-2 -2.000H2O = CO - log_k +11.60 - delta_h -17.390 #kJ/mol + -analytic 19.34007E+0 00E+0 -61.75583E+3 00E+0 00E+0 + +Cm+3 + Acetate- = Cm(Acetate)+2 + log_k 3.01 #11RIC/GRI + -analytic 30.1E-1 00E+0 00E+0 00E+0 00E+0 + +Cm+3 + 2 Acetate- = Cm(Acetate)2+ + log_k 4.96 #12GRI/GAR2 + -analytic 49.6E-1 00E+0 00E+0 00E+0 00E+0 + +Cm+3 + 3 Acetate- = Cm(Acetate)3 + log_k 6.3 #69MOS + -analytic 63E-1 00E+0 00E+0 00E+0 00E+0 + +Cit-3 + Cm+3 = Cm(Cit) + log_k 8.55 #Analogy with Am + -analytic 85.5E-1 00E+0 00E+0 00E+0 00E+0 + +2 Cit-3 + Cm+3 = Cm(Cit)2-3 + log_k 13.9 #Analogy with Am + -analytic 13.9E+0 00E+0 00E+0 00E+0 00E+0 + +CO3-2 + Cm+3 = Cm(CO3)+ + log_k 7.9 #06DUR/CER + delta_h 16.981 #kJ/mol +# Enthalpy of formation: -1273.250 kJ/mol + -analytic 10.87494E+0 00E+0 -88.69794E+1 00E+0 00E+0 + +2 CO3-2 + Cm+3 = Cm(CO3)2- + log_k 12.6 #06DUR/CER + -analytic 12.6E+0 00E+0 00E+0 00E+0 00E+0 + +3 CO3-2 + Cm+3 = Cm(CO3)3-3 + log_k 14.6 #06DUR/CER + -analytic 14.6E+0 00E+0 00E+0 00E+0 00E+0 + +Edta-4 + Cm+3 = Cm(Edta)- + log_k 19.67 #Analogy with Am(Edta)- + -analytic 19.67E+0 00E+0 00E+0 00E+0 00E+0 + +H2(PO4)- + Cm+3 = Cm(H2PO4)+2 + log_k 2.46 #20GRE/GAO + -analytic 24.6E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + Cit-3 + Cm+3 = Cm(HCit)+ + log_k 12.86 #Analogy with Am + -analytic 12.86E+0 00E+0 00E+0 00E+0 00E+0 + +2 H+ + 2 Cit-3 + Cm+3 = Cm(HCit)2- + log_k 23.52 #Analogy with Am + -analytic 23.52E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + Edta-4 + Cm+3 = Cm(HEdta) + log_k 21.84 #Analogy with Am(HEdta) + -analytic 21.84E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + H2(PO4)- + Cm+3 = Cm(HPO4)+ + log_k -1.69 #Estimated by correlation with An(III) in function of ionic radii + -analytic -16.9E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + 2 H2(PO4)- + Cm+3 = Cm(HPO4)2- + log_k -5.19 #Estimated by correlation with An(III) in function of ionic radii + -analytic -51.9E-1 00E+0 00E+0 00E+0 00E+0 + +NO3- + Cm+3 = Cm(NO3)+2 + log_k 1.28 #20GRE/GAO + delta_h 1.8 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -820.050 kJ/mol + -analytic 15.95346E-1 00E+0 -94.02055E+0 00E+0 00E+0 + +2 NO3- + Cm+3 = Cm(NO3)2+ + log_k 0.88 #20GRE/GAO + delta_h 10.8 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1017.900 kJ/mol + -analytic 27.72079E-1 00E+0 -56.41233E+1 00E+0 00E+0 + +Nta-3 + Cm+3 = Cm(Nta) + log_k 13 #Analogy with Am(Nta)(aq) + -analytic 13E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + Cm+3 + H2O = Cm(OH)+2 + log_k -7.2 #03GUI/FAN + delta_h 38.51 #kJ/mol +# Enthalpy of formation: -862.320 kJ/mol + -analytic -45.33376E-2 00E+0 -20.11517E+2 00E+0 00E+0 + +- 2 H+ + HGlu- + Cm+3 + 2 H2O = Cm(OH)2(HGlu) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + HIsa- + Cm+3 + 2 H2O = Cm(OH)2(HIsa) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + Cm+3 + 2 H2O = Cm(OH)2+ + log_k -15.1 #03GUI/FAN + delta_h 91.646 #kJ/mol +# Enthalpy of formation: -1095.013 kJ/mol + -analytic 95.569E-2 00E+0 -47.87004E+2 00E+0 00E+0 + +- 3 H+ + Cm+3 + 3 H2O = Cm(OH)3 + log_k -26.2 #03GUI/FAN + delta_h 153.826 #kJ/mol +# Enthalpy of formation: -1318.663 kJ/mol + -analytic 74.91584E-2 00E+0 -80.34892E+2 00E+0 00E+0 + +Ox-2 + Cm+3 = Cm(Ox)+ + log_k 6.48 #95AKR/BOU + -analytic 64.8E-1 00E+0 00E+0 00E+0 00E+0 + +2 Ox-2 + Cm+3 = Cm(Ox)2- + log_k 10.4 #95AKR/BOU + -analytic 10.4E+0 00E+0 00E+0 00E+0 00E+0 + +3 Ox-2 + Cm+3 = Cm(Ox)3-3 + log_k 12.84 #95AKR/BOU + -analytic 12.84E+0 00E+0 00E+0 00E+0 00E+0 + +Cm+3 + Phthalat-2 = Cm(Phthalat)+ + log_k 4.93 #11GRI/COL2 from 95PAN/KLE + -analytic 49.3E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + H2(PO4)- + Cm+3 = Cm(PO4) + log_k -7.65 #Estimated by correlation with An(III) in function of ionic radii. + -analytic -76.5E-1 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + 2 H2(PO4)- + Cm+3 = Cm(PO4)2-3 + log_k -19.2 #Estimated by correlation with An(III) in function of ionic radii + -analytic -19.2E+0 00E+0 00E+0 00E+0 00E+0 + +SO4-2 + Cm+3 = Cm(SO4)+ + log_k 3.5 #20GRE/GAO + delta_h 40 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1484.340 kJ/mol + -analytic 10.5077E+0 00E+0 -20.89346E+2 00E+0 00E+0 + +2 SO4-2 + Cm+3 = Cm(SO4)2- + log_k 5 #20GRE/GAO + delta_h 70 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2363.680 kJ/mol + -analytic 17.26347E+0 00E+0 -36.56355E+2 00E+0 00E+0 + +Cl- + Cm+3 = CmCl+2 + log_k 0.24 #20GRE/GAO + delta_h 44.483 #kJ/mol +# Enthalpy of formation: -737.597 kJ/mol + -analytic 80.33087E-1 00E+0 -23.23509E+2 00E+0 00E+0 + +2 Cl- + Cm+3 = CmCl2+ + log_k -0.81 #20GRE/GAO + delta_h 54.9 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -894.260 kJ/mol + -analytic 88.08067E-1 00E+0 -28.67627E+2 00E+0 00E+0 + +F- + Cm+3 = CmF+2 + log_k 3.4 #20GRE/GAO + delta_h 12.1 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -938.250 kJ/mol + -analytic 55.19829E-1 00E+0 -63.2027E+1 00E+0 00E+0 + +2 F- + Cm+3 = CmF2+ + log_k 5.8 #20GRE/GAO + delta_h 45.1 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1240.600 kJ/mol + -analytic 13.70118E+0 00E+0 -23.55737E+2 00E+0 00E+0 + +3 F- + Cm+3 = CmF3 + log_k 11.18 #69AZI/LYL + delta_h 15.371 #kJ/mol +# Enthalpy of formation: -1605.678 kJ/mol + -analytic 13.87288E+0 00E+0 -80.28832E+1 00E+0 00E+0 + +H+ + CO3-2 + Cm+3 = CmHCO3+2 + log_k 13.43 #03GUI/FAN, same as Am + -analytic 13.43E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + H4(SiO4) + Cm+3 = CmSiO(OH)3+2 + log_k -2.31 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN + delta_h 47.963 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2028.231 kJ/mol + -analytic 60.92757E-1 00E+0 -25.05282E+2 00E+0 00E+0 + +4 H+ + 2 e- + CO3-2 - 2 H2O = CO + log_k 11.6 + delta_h -17.39 #kJ/mol # Enthalpy of formation: -120.960 kJ/mol 82WAG/EVA - -analytic 85.53403E-1 00.00000E+0 90.83430E+1 00.00000E+0 00.00000E+0 - -+1.000Co+2 +2.000HS- = Co(HS)2 - log_k +8.77 #66KHO; Uncertainty to include available data. - -analytic 87.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Co+2 -1.000H+ +1.000H2O = Co(OH)+ - log_k -9.23 #98PLY/ZHA1 - delta_h +45.962 #kJ/mol -# Enthalpy of formation: -297.468 kJ/mol - -analytic -11.77803E-1 00.00000E+0 -24.00762E+2 00.00000E+0 00.00000E+0 - -+1.000Co+2 -2.000H+ +2.000H2O = Co(OH)2 - log_k -18.60 #98PLY/ZHA1 - delta_h +105.707 #kJ/mol -# Enthalpy of formation: -523.552 kJ/mol - -analytic -80.92855E-3 00.00000E+0 -55.21461E+2 00.00000E+0 00.00000E+0 - -+1.000Co+2 -3.000H+ +3.000H2O = Co(OH)3- - log_k -31.70 #98PLY/ZHA1 - delta_h +160.297 #kJ/mol -# Enthalpy of formation: -754.792 kJ/mol - -analytic -36.17171E-1 00.00000E+0 -83.72895E+2 00.00000E+0 00.00000E+0 - -+1.000Co+2 -4.000H+ +4.000H2O = Co(OH)4-2 - log_k -46.42 #98PLY/ZHA1 - delta_h +214.483 #kJ/mol -# Enthalpy of formation: -986.435 kJ/mol - -analytic -88.44191E-1 00.00000E+0 -11.20323E+3 00.00000E+0 00.00000E+0 - -+1.000Co+2 +1.000SeO4-2 = Co(SeO4) - log_k +2.70 #05OLI/NOL - delta_h -3.617 #kJ/mol -# Enthalpy of formation: -664.716 kJ/mol - -analytic 20.66329E-1 00.00000E+0 18.89291E+1 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000CO3-2 -1.000H2O = CO2 - log_k +16.68 - delta_h -23.860 #kJ/mol + -analytic 85.53403E-1 00E+0 90.8343E+1 00E+0 00E+0 + +Co+2 + 2 HS- = Co(HS)2 + log_k 8.77 #66KHO; Uncertainty to include available data. + -analytic 87.7E-1 00E+0 00E+0 00E+0 00E+0 + +Co+2 - H+ + H2O = Co(OH)+ + log_k -9.23 #98PLY/ZHA1 + delta_h 45.962 #kJ/mol +# Enthalpy of formation: -297.468 kJ/mol + -analytic -11.77803E-1 00E+0 -24.00762E+2 00E+0 00E+0 + +Co+2 - 2 H+ + 2 H2O = Co(OH)2 + log_k -18.6 #98PLY/ZHA1 + delta_h 105.707 #kJ/mol +# Enthalpy of formation: -523.552 kJ/mol + -analytic -80.92855E-3 00E+0 -55.21461E+2 00E+0 00E+0 + +Co+2 - 3 H+ + 3 H2O = Co(OH)3- + log_k -31.7 #98PLY/ZHA1 + delta_h 160.297 #kJ/mol +# Enthalpy of formation: -754.792 kJ/mol + -analytic -36.17171E-1 00E+0 -83.72895E+2 00E+0 00E+0 + +Co+2 - 4 H+ + 4 H2O = Co(OH)4-2 + log_k -46.42 #98PLY/ZHA1 + delta_h 214.483 #kJ/mol +# Enthalpy of formation: -986.435 kJ/mol + -analytic -88.44191E-1 00E+0 -11.20323E+3 00E+0 00E+0 + +Co+2 + SeO4-2 = Co(SeO4) + log_k 2.7 #05OLI/NOL + delta_h -3.617 #kJ/mol +# Enthalpy of formation: -664.716 kJ/mol + -analytic 20.66329E-1 00E+0 18.89291E+1 00E+0 00E+0 + +2 H+ + CO3-2 - H2O = CO2 + log_k 16.68 + delta_h -23.86 #kJ/mol # Enthalpy of formation: -413.260 kJ/mol 89COX/WAG - -analytic 12.49991E+0 00.00000E+0 12.46295E+2 00.00000E+0 00.00000E+0 + -analytic 12.49991E+0 00E+0 12.46295E+2 00E+0 00E+0 -+2.000Co+2 -1.000H+ +1.000H2O = Co2(OH)+3 - log_k -9.83 #98PLY/ZHA1 - delta_h +30.030 #kJ/mol +2 Co+2 - H+ + H2O = Co2(OH)+3 + log_k -9.83 #98PLY/ZHA1 + delta_h 30.03 #kJ/mol # Enthalpy of formation: -371.000 kJ/mol 98PLY/ZHA1 - -analytic -45.68970E-1 00.00000E+0 -15.68576E+2 00.00000E+0 00.00000E+0 + -analytic -45.6897E-1 00E+0 -15.68576E+2 00E+0 00E+0 -+4.000Co+2 -4.000H+ +4.000H2O = Co4(OH)4+4 - log_k -29.88 #98PLY/ZHA1 - delta_h +149.720 #kJ/mol +4 Co+2 - 4 H+ + 4 H2O = Co4(OH)4+4 + log_k -29.88 #98PLY/ZHA1 + delta_h 149.72 #kJ/mol # Enthalpy of formation: -1224.000 kJ/mol 98PLY/ZHA1 - -analytic -36.50182E-1 00.00000E+0 -78.20420E+2 00.00000E+0 00.00000E+0 - -+1.000Co+2 +1.000Cl- = CoCl+ - log_k +0.57 #81TUR/WHI; Uncertainty to include available data. - delta_h -2.180 #kJ/mol -# Enthalpy of formation: -226.859 kJ/mol - -analytic 18.80804E-2 00.00000E+0 11.38693E+1 00.00000E+0 00.00000E+0 - -+1.000Co+2 +2.000Cl- = CoCl2 - log_k +0.02 #06BLA/IGN; Uncertainty from 89PAN/SUS - delta_h +4.074 #kJ/mol 06BLA/IGN -# Enthalpy of formation: -387.686 kJ/mol - -analytic 73.37342E-2 00.00000E+0 -21.27998E+1 00.00000E+0 00.00000E+0 - -+1.000Co+2 +3.000Cl- = CoCl3- - log_k -1.71 #06BLA/IGN; Uncertainty 89PAN/SUS - delta_h +6.688 #kJ/mol 06BLA/IGN -# Enthalpy of formation: -552.152 kJ/mol - -analytic -53.83127E-2 00.00000E+0 -34.93386E+1 00.00000E+0 00.00000E+0 - -+1.000Co+2 +4.000Cl- = CoCl4-2 - log_k -2.09 #06BLA/IGN - delta_h +22.570 #kJ/mol 06BLA/IGN -# Enthalpy of formation: -703.350 kJ/mol - -analytic 18.64094E-1 00.00000E+0 -11.78913E+2 00.00000E+0 00.00000E+0 - -+1.000Co+2 +1.000CO3-2 = CoCO3 - log_k +4.23 #97MAR/SMI; Uncertainty to include available data. - -analytic 42.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Co+2 +1.000F- = CoF+ - log_k +1.50 #97MAR/SMI - delta_h -0.631 #kJ/mol -# Enthalpy of formation: -393.580 kJ/mol - -analytic 13.89454E-1 00.00000E+0 32.95943E+0 00.00000E+0 00.00000E+0 - -+1.000Co+2 +1.000H+ +1.000CO3-2 = CoHCO3+ - log_k +12.22 #97MAR/SMI; Uncertainty to include available data. - -analytic 12.22000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Co+2 -1.000H+ +1.000H2(PO4)- = CoHPO4 - log_k -4.15 #97MAR/SMI; Uncertainty to include available data and is preliminary. - -analytic -41.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Co+2 +1.000HS- = CoHS+ - log_k +5.67 #66KHO; Uncertainty to include available data. - -analytic 56.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Co+2 +1.000S2O3-2 = CoS2O3 - log_k +2.05 #51DEN/MON - -analytic 20.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Co+2 +1.000SO4-2 = CoSO4 - log_k +2.30 #97MAR/SMI; Uncertainty to include available data. - delta_h +2.092 #kJ/mol 74NAU/RYZ -# Enthalpy of formation: -964.848 kJ/mol - -analytic 26.66503E-1 00.00000E+0 -10.92728E+1 00.00000E+0 00.00000E+0 - -+1.000H2(PO4)- +1.000Cr+3 = Cr(H2PO4)+2 - log_k +2.56 #66LAH/ADI - -analytic 25.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000H2(PO4)- +1.000Cr+3 = Cr(HPO4)+ - log_k +2.25 #76ALE/MAS - -analytic 22.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +2.000CO3-2 +1.000Cr+3 +1.000H2O = Cr(OH)(CO3)2-2 - log_k +9.73 #07RAI/MOO - -analytic 97.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000Cr+2 +1.000H2O = Cr(OH)+ - log_k -5.30 #83MIC/DEB, 04CHI - delta_h +30.327 #kJ/mol -# Enthalpy of formation: -413.117 kJ/mol - -analytic 13.06233E-3 00.00000E+0 -15.84090E+2 00.00000E+0 00.00000E+0 - --1.000H+ +1.000Cr+3 +1.000H2O = Cr(OH)+2 - log_k -3.42 #04RAI/MOO - delta_h +37.222 #kJ/mol -# Enthalpy of formation: -489.108 kJ/mol - -analytic 31.01014E-1 00.00000E+0 -19.44240E+2 00.00000E+0 00.00000E+0 - --2.000H+ +1.000Cr+3 +2.000H2O = Cr(OH)2+ - log_k -8.90 #11GRI/COL4 - delta_h +93.198 #kJ/mol -# Enthalpy of formation: -718.961 kJ/mol - -analytic 74.27589E-1 00.00000E+0 -48.68071E+2 00.00000E+0 00.00000E+0 - --3.000H+ +1.000Cr+3 +3.000H2O = Cr(OH)3 - log_k -14.34 #04RAI/MOO - delta_h +143.704 #kJ/mol -# Enthalpy of formation: -954.285 kJ/mol - -analytic 10.83586E+0 00.00000E+0 -75.06183E+2 00.00000E+0 00.00000E+0 - --3.000H+ +1.000H2(PO4)- +1.000Cr+3 +3.000H2O = Cr(OH)3(H2PO4)- - log_k -11.56 #04RAI/MOO - -analytic -11.56000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --3.000H+ +2.000H2(PO4)- +1.000Cr+3 +3.000H2O = Cr(OH)3(H2PO4)2-2 - log_k -10.86 #04RAI/MOO - -analytic -10.86000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --4.000H+ +1.000H2(PO4)- +1.000Cr+3 +3.000H2O = Cr(OH)3(HPO4)-2 - log_k -19.58 #04RAI/MOO - -analytic -19.58000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --5.000H+ +1.000H2(PO4)- +1.000Cr+3 +3.000H2O = Cr(OH)3(PO4)-3 - log_k -30.24 #98ZIE/JON - -analytic -30.24000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --4.000H+ +1.000Cr+3 +4.000H2O = Cr(OH)4- - log_k -25.86 #04RAI/MOO - delta_h +193.614 #kJ/mol -# Enthalpy of formation: -1190.205 kJ/mol - -analytic 80.59717E-1 00.00000E+0 -10.11316E+3 00.00000E+0 00.00000E+0 - --4.000H+ +1.000CO3-2 +1.000Cr+3 +4.000H2O = Cr(OH)4(CO3)-3 - log_k -25.69 #07RAI/MOO - -analytic -25.69000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --5.000H+ +2.000H2(PO4)- +1.000Cr+3 +4.000H2O = Cr(OH)4(HPO4)(H2PO4)-4 - log_k -28.76 #98ZIE/JON - delta_h +14.000 #kJ/mol 98ZIE/JON -# Enthalpy of formation: -3975.020 kJ/mol - -analytic -26.30731E+0 00.00000E+0 -73.12709E+1 00.00000E+0 00.00000E+0 - --1.000H+ +2.000Cl- +1.000Cr+3 +1.000H2O = Cr(OH)Cl2 - log_k -5.73 - delta_h +32.720 #kJ/mol + -analytic -36.50182E-1 00E+0 -78.2042E+2 00E+0 00E+0 + +Co+2 + Cl- = CoCl+ + log_k 0.57 #81TUR/WHI; Uncertainty to include available data. + delta_h -2.18 #kJ/mol +# Enthalpy of formation: -226.859 kJ/mol + -analytic 18.80804E-2 00E+0 11.38693E+1 00E+0 00E+0 + +Co+2 + 2 Cl- = CoCl2 + log_k 0.02 #06BLA/IGN; Uncertainty from 89PAN/SUS + delta_h 4.074 #kJ/mol 06BLA/IGN +# Enthalpy of formation: -387.686 kJ/mol + -analytic 73.37342E-2 00E+0 -21.27998E+1 00E+0 00E+0 + +Co+2 + 3 Cl- = CoCl3- + log_k -1.71 #06BLA/IGN; Uncertainty 89PAN/SUS + delta_h 6.688 #kJ/mol 06BLA/IGN +# Enthalpy of formation: -552.152 kJ/mol + -analytic -53.83127E-2 00E+0 -34.93386E+1 00E+0 00E+0 + +Co+2 + 4 Cl- = CoCl4-2 + log_k -2.09 #06BLA/IGN + delta_h 22.57 #kJ/mol 06BLA/IGN +# Enthalpy of formation: -703.350 kJ/mol + -analytic 18.64094E-1 00E+0 -11.78913E+2 00E+0 00E+0 + +Co+2 + CO3-2 = CoCO3 + log_k 4.23 #97MAR/SMI; Uncertainty to include available data. + -analytic 42.3E-1 00E+0 00E+0 00E+0 00E+0 + +Co+2 + F- = CoF+ + log_k 1.5 #97MAR/SMI + delta_h -0.631 #kJ/mol +# Enthalpy of formation: -393.580 kJ/mol + -analytic 13.89454E-1 00E+0 32.95943E+0 00E+0 00E+0 + +Co+2 + H+ + CO3-2 = CoHCO3+ + log_k 12.22 #97MAR/SMI; Uncertainty to include available data. + -analytic 12.22E+0 00E+0 00E+0 00E+0 00E+0 + +Co+2 - H+ + H2(PO4)- = CoHPO4 + log_k -4.15 #97MAR/SMI; Uncertainty to include available data and is preliminary. + -analytic -41.5E-1 00E+0 00E+0 00E+0 00E+0 + +Co+2 + HS- = CoHS+ + log_k 5.67 #66KHO; Uncertainty to include available data. + -analytic 56.7E-1 00E+0 00E+0 00E+0 00E+0 + +Co+2 + S2O3-2 = CoS2O3 + log_k 2.05 #51DEN/MON + -analytic 20.5E-1 00E+0 00E+0 00E+0 00E+0 + +Co+2 + SO4-2 = CoSO4 + log_k 2.3 #97MAR/SMI; Uncertainty to include available data. + delta_h 2.092 #kJ/mol 74NAU/RYZ +# Enthalpy of formation: -964.848 kJ/mol + -analytic 26.66503E-1 00E+0 -10.92728E+1 00E+0 00E+0 + +H2(PO4)- + Cr+3 = Cr(H2PO4)+2 + log_k 2.56 #66LAH/ADI + -analytic 25.6E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + H2(PO4)- + Cr+3 = Cr(HPO4)+ + log_k 2.25 #76ALE/MAS + -analytic 22.5E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + 2 CO3-2 + Cr+3 + H2O = Cr(OH)(CO3)2-2 + log_k 9.73 #07RAI/MOO + -analytic 97.3E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + Cr+2 + H2O = Cr(OH)+ + log_k -5.3 #83MIC/DEB, 04CHI + delta_h 30.327 #kJ/mol +# Enthalpy of formation: -413.117 kJ/mol + -analytic 13.06233E-3 00E+0 -15.8409E+2 00E+0 00E+0 + +- H+ + Cr+3 + H2O = Cr(OH)+2 + log_k -3.42 #04RAI/MOO + delta_h 37.222 #kJ/mol +# Enthalpy of formation: -489.108 kJ/mol + -analytic 31.01014E-1 00E+0 -19.4424E+2 00E+0 00E+0 + +- 2 H+ + Cr+3 + 2 H2O = Cr(OH)2+ + log_k -8.9 #11GRI/COL4 + delta_h 93.198 #kJ/mol +# Enthalpy of formation: -718.961 kJ/mol + -analytic 74.27589E-1 00E+0 -48.68071E+2 00E+0 00E+0 + +- 3 H+ + Cr+3 + 3 H2O = Cr(OH)3 + log_k -14.34 #04RAI/MOO + delta_h 143.704 #kJ/mol +# Enthalpy of formation: -954.285 kJ/mol + -analytic 10.83586E+0 00E+0 -75.06183E+2 00E+0 00E+0 + +- 3 H+ + H2(PO4)- + Cr+3 + 3 H2O = Cr(OH)3(H2PO4)- + log_k -11.56 #04RAI/MOO + -analytic -11.56E+0 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ + 2 H2(PO4)- + Cr+3 + 3 H2O = Cr(OH)3(H2PO4)2-2 + log_k -10.86 #04RAI/MOO + -analytic -10.86E+0 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + H2(PO4)- + Cr+3 + 3 H2O = Cr(OH)3(HPO4)-2 + log_k -19.58 #04RAI/MOO + -analytic -19.58E+0 00E+0 00E+0 00E+0 00E+0 + +- 5 H+ + H2(PO4)- + Cr+3 + 3 H2O = Cr(OH)3(PO4)-3 + log_k -30.24 #98ZIE/JON + -analytic -30.24E+0 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + Cr+3 + 4 H2O = Cr(OH)4- + log_k -25.86 #04RAI/MOO + delta_h 193.614 #kJ/mol +# Enthalpy of formation: -1190.205 kJ/mol + -analytic 80.59717E-1 00E+0 -10.11316E+3 00E+0 00E+0 + +- 4 H+ + CO3-2 + Cr+3 + 4 H2O = Cr(OH)4(CO3)-3 + log_k -25.69 #07RAI/MOO + -analytic -25.69E+0 00E+0 00E+0 00E+0 00E+0 + +- 5 H+ + 2 H2(PO4)- + Cr+3 + 4 H2O = Cr(OH)4(HPO4)(H2PO4)-4 + log_k -28.76 #98ZIE/JON + delta_h 14 #kJ/mol 98ZIE/JON +# Enthalpy of formation: -3975.020 kJ/mol + -analytic -26.30731E+0 00E+0 -73.12709E+1 00E+0 00E+0 + +- H+ + 2 Cl- + Cr+3 + H2O = Cr(OH)Cl2 + log_k -5.73 + delta_h 32.72 #kJ/mol # Enthalpy of formation: -827.770 kJ/mol 76DEL/HEP - -analytic 22.97936E-4 00.00000E+0 -17.09085E+2 00.00000E+0 00.00000E+0 + -analytic 22.97936E-4 00E+0 -17.09085E+2 00E+0 00E+0 --1.000H+ +1.000CO3-2 +1.000Cr+3 +1.000H2O = Cr(OH)CO3 - log_k +4.00 #07RAI/MOO - -analytic 40.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +- H+ + CO3-2 + Cr+3 + H2O = Cr(OH)CO3 + log_k 4 #07RAI/MOO + -analytic 40E-1 00E+0 00E+0 00E+0 00E+0 --2.000H+ +2.000Cr+3 +2.000H2O = Cr2(OH)2+4 - log_k -4.00 #11GRI/COL4 - -analytic -40.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +- 2 H+ + 2 Cr+3 + 2 H2O = Cr2(OH)2+4 + log_k -4 #11GRI/COL4 + -analytic -40E-1 00E+0 00E+0 00E+0 00E+0 -+2.000H+ +2.000CrO4-2 -1.000H2O = Cr2O7-2 - log_k +14.75 #87PAL/WES, 04CHI - delta_h -3.752 #kJ/mol -# Enthalpy of formation: -1475.923 kJ/mol - -analytic 14.09268E+0 00.00000E+0 19.59806E+1 00.00000E+0 00.00000E+0 +2 H+ + 2 CrO4-2 - H2O = Cr2O7-2 + log_k 14.75 #87PAL/WES, 04CHI + delta_h -3.752 #kJ/mol +# Enthalpy of formation: -1475.923 kJ/mol + -analytic 14.09268E+0 00E+0 19.59806E+1 00E+0 00E+0 --4.000H+ +3.000Cr+3 +4.000H2O = Cr3(OH)4+5 - log_k -7.60 #11GRI/COL4 - -analytic -76.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +- 4 H+ + 3 Cr+3 + 4 H2O = Cr3(OH)4+5 + log_k -7.6 #11GRI/COL4 + -analytic -76E-1 00E+0 00E+0 00E+0 00E+0 -+1.000Br- +1.000Cr+3 = CrBr+2 - log_k -0.62 - delta_h +22.588 #kJ/mol +Br- + Cr+3 = CrBr+2 + log_k -0.62 + delta_h 22.588 #kJ/mol # Enthalpy of formation: -339.322 kJ/mol 76DEL/HEP - -analytic 33.37248E-1 00.00000E+0 -11.79853E+2 00.00000E+0 00.00000E+0 - -+1.000Cl- +1.000Cr+2 = CrCl+ - log_k +5.60 #91ALL/BRO - delta_h -20.200 #kJ/mol 91ALL/BRO -# Enthalpy of formation: -344.894 kJ/mol - -analytic 20.61112E-1 00.00000E+0 10.55119E+2 00.00000E+0 00.00000E+0 - -+1.000Cl- +1.000Cr+3 = CrCl+2 - log_k +0.62 #64SIL/MAR - delta_h +20.920 #kJ/mol 64SIL/MAR -# Enthalpy of formation: -386.660 kJ/mol - -analytic 42.85027E-1 00.00000E+0 -10.92728E+2 00.00000E+0 00.00000E+0 - -+2.000Cl- +1.000Cr+3 = CrCl2+ - log_k -0.71 #64SIL/MAR - delta_h +20.920 #kJ/mol 64SIL/MAR -# Enthalpy of formation: -553.740 kJ/mol - -analytic 29.55027E-1 00.00000E+0 -10.92728E+2 00.00000E+0 00.00000E+0 - -+1.000F- +1.000Cr+3 = CrF+2 - log_k +5.21 #81TUR/WHI - delta_h -2.510 #kJ/mol 53HEP/JOL -# Enthalpy of formation: -578.360 kJ/mol - -analytic 47.70267E-1 00.00000E+0 13.11064E+1 00.00000E+0 00.00000E+0 - -+2.000F- +1.000Cr+3 = CrF2+ - log_k +9.31 #81TUR/WHI - delta_h -0.418 #kJ/mol 53HEP/JOL -# Enthalpy of formation: -911.618 kJ/mol - -analytic 92.36770E-1 00.00000E+0 21.83366E+0 00.00000E+0 00.00000E+0 - -+3.000F- +1.000Cr+3 = CrF3 - log_k +11.91 #81TUR/WHI - -analytic 11.91000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000Cl- +1.000CrO4-2 -1.000H2O = CrO3Cl- - log_k +8.08 - delta_h +5.450 #kJ/mol + -analytic 33.37248E-1 00E+0 -11.79853E+2 00E+0 00E+0 + +Cl- + Cr+2 = CrCl+ + log_k 5.6 #91ALL/BRO + delta_h -20.2 #kJ/mol 91ALL/BRO +# Enthalpy of formation: -344.894 kJ/mol + -analytic 20.61112E-1 00E+0 10.55119E+2 00E+0 00E+0 + +Cl- + Cr+3 = CrCl+2 + log_k 0.62 #64SIL/MAR + delta_h 20.92 #kJ/mol 64SIL/MAR +# Enthalpy of formation: -386.660 kJ/mol + -analytic 42.85027E-1 00E+0 -10.92728E+2 00E+0 00E+0 + +2 Cl- + Cr+3 = CrCl2+ + log_k -0.71 #64SIL/MAR + delta_h 20.92 #kJ/mol 64SIL/MAR +# Enthalpy of formation: -553.740 kJ/mol + -analytic 29.55027E-1 00E+0 -10.92728E+2 00E+0 00E+0 + +F- + Cr+3 = CrF+2 + log_k 5.21 #81TUR/WHI + delta_h -2.51 #kJ/mol 53HEP/JOL +# Enthalpy of formation: -578.360 kJ/mol + -analytic 47.70267E-1 00E+0 13.11064E+1 00E+0 00E+0 + +2 F- + Cr+3 = CrF2+ + log_k 9.31 #81TUR/WHI + delta_h -0.418 #kJ/mol 53HEP/JOL +# Enthalpy of formation: -911.618 kJ/mol + -analytic 92.3677E-1 00E+0 21.83366E+0 00E+0 00E+0 + +3 F- + Cr+3 = CrF3 + log_k 11.91 #81TUR/WHI + -analytic 11.91E+0 00E+0 00E+0 00E+0 00E+0 + +2 H+ + Cl- + CrO4-2 - H2O = CrO3Cl- + log_k 8.08 + delta_h 5.45 #kJ/mol # Enthalpy of formation: -754.800 kJ/mol 76DEL/HEP - -analytic 90.34799E-1 00.00000E+0 -28.46733E+1 00.00000E+0 00.00000E+0 + -analytic 90.34799E-1 00E+0 -28.46733E+1 00E+0 00E+0 -+1.000SO4-2 +1.000Cr+3 = CrSO4+ - log_k +4.61 #81TUR/WHI - -analytic 46.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +SO4-2 + Cr+3 = CrSO4+ + log_k 4.61 #81TUR/WHI + -analytic 46.1E-1 00E+0 00E+0 00E+0 00E+0 -+1.000Cs+ +1.000Cit-3 = Cs(Cit)-2 - log_k +0.98 #95AKR/BOU - -analytic 98.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Cs+ + Cit-3 = Cs(Cit)-2 + log_k 0.98 #95AKR/BOU + -analytic 98E-2 00E+0 00E+0 00E+0 00E+0 -+1.000Cs+ +1.000Edta-4 = Cs(Edta)-3 - log_k +1.30 #95AKR/BOU - -analytic 13.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Cs+ + Edta-4 = Cs(Edta)-3 + log_k 1.3 #95AKR/BOU + -analytic 13E-1 00E+0 00E+0 00E+0 00E+0 -+1.000Cs+ +1.000Nta-3 = Cs(Nta)-2 - log_k +0.85 #95AKR/BOU - -analytic 85.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Cs+ + Nta-3 = Cs(Nta)-2 + log_k 0.85 #95AKR/BOU + -analytic 85E-2 00E+0 00E+0 00E+0 00E+0 -+1.000Cs+ -1.000H+ +1.000H2O = Cs(OH) - log_k -15.64 - delta_h +65.736 #kJ/mol +Cs+ - H+ + H2O = Cs(OH) + log_k -15.64 + delta_h 65.736 #kJ/mol # Enthalpy of formation: -478.094 kJ/mol 97SHO/SAS2 - -analytic -41.23547E-1 00.00000E+0 -34.33630E+2 00.00000E+0 00.00000E+0 - -+1.000Cs+ +1.000Br- = CsBr - log_k +0.10 - delta_h +5.912 #kJ/mol -# Enthalpy of formation: -373.497 kJ/mol - -analytic 11.35738E-1 00.00000E+0 -30.88053E+1 00.00000E+0 00.00000E+0 - -+1.000Cs+ +1.000Cl- = CsCl - log_k -0.09 - delta_h +7.514 #kJ/mol -# Enthalpy of formation: -417.566 kJ/mol - -analytic 12.26396E-1 00.00000E+0 -39.24836E+1 00.00000E+0 00.00000E+0 - -+1.000Cs+ +1.000F- = CsF - log_k -0.38 - delta_h +2.436 #kJ/mol -# Enthalpy of formation: -590.913 kJ/mol - -analytic 46.76888E-3 00.00000E+0 -12.72411E+1 00.00000E+0 00.00000E+0 - -+1.000Cs+ +1.000I- = CsI - log_k +1.05 - delta_h -0.071 #kJ/mol -# Enthalpy of formation: -314.850 kJ/mol - -analytic 10.37561E-1 00.00000E+0 37.08588E-1 00.00000E+0 00.00000E+0 - -+1.000Cu+2 +1.000B(OH)4- = Cu(B(OH)4)+ - log_k +7.13 #80BAS - -analytic 71.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cu+2 +2.000B(OH)4- = Cu(B(OH)4)2 - log_k +12.45 #80BAS - -analytic 12.45000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cu+2 +3.000B(OH)4- = Cu(B(OH)4)3- - log_k +15.17 #80BAS - -analytic 15.17000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cu+2 +2.000CO3-2 = Cu(CO3)2-2 - log_k +10.30 #07POW/BRO - delta_h +36.616 #kJ/mol -# Enthalpy of formation: -1248.945 kJ/mol - -analytic 16.71485E+0 00.00000E+0 -19.12587E+2 00.00000E+0 00.00000E+0 - -+1.000Cu+ +2.000HS- = Cu(HS)2- - log_k +17.18 #99MON/SEW - delta_h -78.863 #kJ/mol -# Enthalpy of formation: -40.875 kJ/mol - -analytic 33.63795E-1 00.00000E+0 41.19301E+2 00.00000E+0 00.00000E+0 - -+1.000Cu+2 -1.000H+ +1.000H2O = Cu(OH)+ - log_k -7.97 #97PLY/WAN - delta_h +36.000 #kJ/mol 76ARE/CAL in 97PLY/WAN -# Enthalpy of formation: -184.930 kJ/mol - -analytic -16.63071E-1 00.00000E+0 -18.80411E+2 00.00000E+0 00.00000E+0 - -+1.000Cu+2 -2.000H+ +2.000H2O = Cu(OH)2 - log_k -16.23 #97PLY/WAN - delta_h +92.820 #kJ/mol 76ARE/CAL in 97PLY/WAN -# Enthalpy of formation: -413.940 kJ/mol - -analytic 31.36597E-3 00.00000E+0 -48.48326E+2 00.00000E+0 00.00000E+0 - -+1.000Cu+ -2.000H+ +2.000H2O = Cu(OH)2- - log_k -18.20 #11PAL - delta_h +57.672 #kJ/mol -# Enthalpy of formation: -443.399 kJ/mol - -analytic -80.96299E-1 00.00000E+0 -30.12418E+2 00.00000E+0 00.00000E+0 - -+1.000Cu+2 -3.000H+ +3.000H2O = Cu(OH)3- - log_k -26.63 #36DOW/JOH in 97PLY/WAN - delta_h +114.482 #kJ/mol -# Enthalpy of formation: -678.107 kJ/mol - -analytic -65.73615E-1 00.00000E+0 -59.79811E+2 00.00000E+0 00.00000E+0 - -+1.000Cu+2 -4.000H+ +4.000H2O = Cu(OH)4-2 - log_k -39.73 #36DOW/JOH, 67AKH in 97PLY/WAN - -analytic -39.73000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cu+2 +1.000SeO4-2 = Cu(SeO4) - log_k +2.20 #Upper value suggested in 05OLI/NOL - -analytic 22.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Cu+2 -1.000H+ +1.000H2O = Cu2(OH)+3 - log_k -6.71 #97PLY/WAN - delta_h +46.100 #kJ/mol 97ROB/STE -# Enthalpy of formation: -109.930 kJ/mol - -analytic 13.66373E-1 00.00000E+0 -24.07971E+2 00.00000E+0 00.00000E+0 - -+2.000Cu+2 -2.000H+ +2.000H2O = Cu2(OH)2+2 - log_k -10.55 #97PLY/WAN - delta_h +75.400 #kJ/mol 97PLY/WAN -# Enthalpy of formation: -366.460 kJ/mol - -analytic 26.59513E-1 00.00000E+0 -39.38416E+2 00.00000E+0 00.00000E+0 - -+2.000Cu+ +4.000Cl- = Cu2Cl4-2 - log_k +10.55 #80FRIN in 00PUI/TAX - delta_h -54.860 #kJ/mol 00PUI/TAX -# Enthalpy of formation: -582.002 kJ/mol - -analytic 93.89406E-2 00.00000E+0 28.65537E+2 00.00000E+0 00.00000E+0 - -+2.000Cu+ -1.000H+ +3.000HS- = Cu2S(HS)2-2 - log_k +29.87 #99MON/SEW - delta_h -314.862 #kJ/mol -# Enthalpy of formation: -222.586 kJ/mol - -analytic -25.29145E+0 00.00000E+0 16.44639E+3 00.00000E+0 00.00000E+0 - -+3.000Cu+2 -4.000H+ +4.000H2O = Cu3(OH)4+2 - log_k -20.94 #76ARE/CAL in 97PLY/WAN - delta_h +110.000 #kJ/mol 76ARE/CAL in 97PLY/WAN -# Enthalpy of formation: -838.620 kJ/mol - -analytic -16.68827E-1 00.00000E+0 -57.45700E+2 00.00000E+0 00.00000E+0 - -+3.000Cu+ +6.000Cl- = Cu3Cl6-3 - log_k +15.99 #80FRI in 00PUI/TAX - delta_h +124.510 #kJ/mol 00PUI/TAX -# Enthalpy of formation: -666.203 kJ/mol - -analytic 37.80322E+0 00.00000E+0 -65.03610E+2 00.00000E+0 00.00000E+0 - -+1.000Cu+ +1.000Cl- = CuCl - log_k +3.30 #98XIA/GAM - delta_h +3.763 #kJ/mol -# Enthalpy of formation: -92.728 kJ/mol - -analytic 39.59249E-1 00.00000E+0 -19.65552E+1 00.00000E+0 00.00000E+0 - -+1.000Cu+2 +1.000Cl- = CuCl+ - log_k +0.64 #97WAN/ZHA - delta_h +8.700 #kJ/mol 97WAN/ZHA -# Enthalpy of formation: -93.480 kJ/mol - -analytic 21.64175E-1 00.00000E+0 -45.44326E+1 00.00000E+0 00.00000E+0 - -+1.000Cu+2 +2.000Cl- = CuCl2 - log_k +0.60 #97WAN/ZHA - delta_h +23.000 #kJ/mol 97WAN/ZHA -# Enthalpy of formation: -246.260 kJ/mol - -analytic 46.29427E-1 00.00000E+0 -12.01374E+2 00.00000E+0 00.00000E+0 - -+1.000Cu+ +2.000Cl- = CuCl2- - log_k +5.68 #97WAN/ZHA - delta_h -14.250 #kJ/mol 84FRI in 97WAN/ZHA -# Enthalpy of formation: -277.821 kJ/mol - -analytic 31.83507E-1 00.00000E+0 74.43293E+1 00.00000E+0 00.00000E+0 - -+1.000Cu+2 +3.000Cl- = CuCl3- - log_k -1.28 #97WAN/ZHA - delta_h +22.200 #kJ/mol 97WAN/ZHA -# Enthalpy of formation: -414.140 kJ/mol - -analytic 26.09273E-1 00.00000E+0 -11.59587E+2 00.00000E+0 00.00000E+0 - -+1.000Cu+ +3.000Cl- = CuCl3-2 - log_k +5.03 #97WAN/ZHA - delta_h -27.330 #kJ/mol 97WAN/ZHA -# Enthalpy of formation: -457.981 kJ/mol - -analytic 24.19895E-2 00.00000E+0 14.27545E+2 00.00000E+0 00.00000E+0 - -+1.000Cu+2 +4.000Cl- = CuCl4-2 - log_k -3.98 #97WAN/ZHA - delta_h +28.000 #kJ/mol 97WAN/ZHA -# Enthalpy of formation: -575.420 kJ/mol - -analytic 92.53894E-2 00.00000E+0 -14.62542E+2 00.00000E+0 00.00000E+0 - -+1.000Cu+2 +1.000CO3-2 = CuCO3 - log_k +6.75 #07POW/BRO - delta_h +10.400 #kJ/mol 89SOL/BYR -# Enthalpy of formation: -599.930 kJ/mol - -analytic 85.72002E-1 00.00000E+0 -54.32298E+1 00.00000E+0 00.00000E+0 - -+1.000Cu+2 +1.000H+ +1.000CO3-2 = CuHCO3+ - log_k +12.17 #07POW/BRO - delta_h -5.841 #kJ/mol -# Enthalpy of formation: -616.172 kJ/mol - -analytic 11.14670E+0 00.00000E+0 30.50967E+1 00.00000E+0 00.00000E+0 - -+1.000Cu+ +1.000HS- = CuHS - log_k +13.00 #99MON/SEW - delta_h -44.866 #kJ/mol -# Enthalpy of formation: +9.422 kJ/mol - -analytic 51.39814E-1 00.00000E+0 23.43514E+2 00.00000E+0 00.00000E+0 - -+1.000Cu+ -1.000H+ +1.000H2O = CuOH - log_k -7.68 #11PAL - -analytic -76.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cu+ +1.000S2O3-2 = CuS2O3- - log_k +10.13 - delta_h -51.130 #kJ/mol -# Enthalpy of formation: -632.828 kJ/mol - -analytic 11.72409E-1 00.00000E+0 26.70706E+2 00.00000E+0 00.00000E+0 - -+1.000Cu+2 +1.000SO4-2 = CuSO4 - log_k +2.31 - delta_h +5.102 #kJ/mol -# Enthalpy of formation: -839.338 kJ/mol - -analytic 32.03832E-1 00.00000E+0 -26.64960E+1 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +1.000Acetate- = Eu(Acetate)+2 - log_k +2.90 #12GRI/GAR2 - -analytic 29.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +2.000Acetate- = Eu(Acetate)2+ - log_k +4.80 #12GRI/GAR2 - -analytic 48.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +3.000Acetate- = Eu(Acetate)3 - log_k +5.60 #12GRI/GAR2 - -analytic 56.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +1.000Cit-3 = Eu(Cit) - log_k +8.55 #Analogy with Am - -analytic 85.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +2.000Cit-3 = Eu(Cit)2-3 - log_k +13.90 #Analogy with Am - -analytic 13.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +1.000CO3-2 = Eu(CO3)+ - log_k +7.90 #95SPA/BRU - delta_h +26.150 #kJ/mol -# Enthalpy of formation: -1254.406 kJ/mol - -analytic 12.48128E+0 00.00000E+0 -13.65910E+2 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +2.000CO3-2 = Eu(CO3)2- - log_k +12.90 #95SPA/BRU - -analytic 12.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +3.000CO3-2 = Eu(CO3)3-3 - log_k +14.80 #05VER/VIT2 - -analytic 14.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +1.000Edta-4 = Eu(Edta)- - log_k +19.67 #Analoly with Am(Edta)- - -analytic 19.67000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +1.000H2(PO4)- = Eu(H2PO4)+2 - log_k +2.40 #95SPA/BRU - -analytic 24.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +1.000H+ +1.000Cit-3 = Eu(HCit)+ - log_k +12.86 #Analogy with Am - -analytic 12.86000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +2.000H+ +2.000Cit-3 = Eu(HCit)2- - log_k +23.52 #Analogy with Am - -analytic 23.52000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +1.000H+ +1.000CO3-2 = Eu(HCO3)+2 - log_k +12.43 #95SPA/BRU - -analytic 12.43000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +1.000H+ +1.000Edta-4 = Eu(HEdta) - log_k +21.84 #Analogy with Am(HEdta) - -analytic 21.84000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 -1.000H+ +1.000H2(PO4)- = Eu(HPO4)+ - log_k -1.51 #95SPA/BRU - -analytic -15.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 -2.000H+ +2.000H2(PO4)- = Eu(HPO4)2- - log_k -4.82 #95SPA/BRU - -analytic -48.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +1.000Malonate-2 = Eu(Malonate)+ - log_k +5.43 #13GRI/CAM - -analytic 54.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +2.000Malonate-2 = Eu(Malonate)2- - log_k +7.78 #13GRI/CAM - -analytic 77.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +1.000NO3- = Eu(NO3)+2 - log_k +1.21 #09RAO/TIA1 (Calculated usig SIT) - -analytic 12.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +1.000Nta-3 = Eu(Nta) - log_k +13.00 #Analogy with Am(Nta)(aq) - -analytic 13.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 -1.000H+ +1.000H2O = Eu(OH)+2 - log_k -7.80 #95SPA/BRU - delta_h +51.104 #kJ/mol -# Enthalpy of formation: -840.051 kJ/mol - -analytic 11.53036E-1 00.00000E+0 -26.69348E+2 00.00000E+0 00.00000E+0 - -+1.000Eu+3 -2.000H+ +1.000HGlu- +2.000H2O = Eu(OH)2(HGlu) - log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) - -analytic -10.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 -2.000H+ +1.000HIsa- +2.000H2O = Eu(OH)2(HIsa) - log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) - -analytic -10.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 -2.000H+ +2.000H2O = Eu(OH)2+ - log_k -15.70 #07NEC/ALT2 - delta_h +104.240 #kJ/mol -# Enthalpy of formation: -1072.744 kJ/mol - -analytic 25.62064E-1 00.00000E+0 -54.44834E+2 00.00000E+0 00.00000E+0 - -+1.000Eu+3 -3.000H+ +3.000H2O = Eu(OH)3 - log_k -26.20 #07NEC/ALT2 - delta_h +162.995 #kJ/mol -# Enthalpy of formation: -1299.819 kJ/mol - -analytic 23.55498E-1 00.00000E+0 -85.13822E+2 00.00000E+0 00.00000E+0 - -+1.000Eu+3 -4.000H+ +4.000H2O = Eu(OH)4- - log_k -40.70 #07NEC/ALT2 - delta_h +235.317 #kJ/mol -# Enthalpy of formation: -1513.326 kJ/mol - -analytic 52.57687E-2 00.00000E+0 -12.29146E+3 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +1.000Ox-2 = Eu(Ox)+ - log_k +6.55 #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR - -analytic 65.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +2.000Ox-2 = Eu(Ox)2- - log_k +10.93 # Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR - -analytic 10.93000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +3.000Ox-2 = Eu(Ox)3-3 - log_k +12.48 #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR - -analytic 12.48000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +1.000Phthalat-2 = Eu(Phthalat)+ - log_k +4.96 #11GRI/COL2 - -analytic 49.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +2.000Phthalat-2 = Eu(Phthalat)2- - log_k +7.34 #11GRI/COL2 - -analytic 73.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 -2.000H+ +1.000H2(PO4)- = Eu(PO4) - log_k -7.36 #95SPA/BRU - -analytic -73.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 -4.000H+ +2.000H2(PO4)- = Eu(PO4)2-3 - log_k -18.46 #95SPA/BRU - -analytic -18.46000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +1.000SO4-2 = Eu(SO4)+ - log_k +3.50 #95SPA/BRU - delta_h +15.577 #kJ/mol -# Enthalpy of formation: -1499.088 kJ/mol - -analytic 62.28973E-1 00.00000E+0 -81.36434E+1 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +2.000SO4-2 = Eu(SO4)2- - log_k +5.20 #95SPA/BRU - delta_h +23.017 #kJ/mol -# Enthalpy of formation: -2400.987 kJ/mol - -analytic 92.32405E-1 00.00000E+0 -12.02262E+2 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +1.000Succinat-2 = Eu(Succinat)+ - log_k +4.36 #13GRI/CAM - -analytic 43.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +2.000Succinat-2 = Eu(Succinat)2- - log_k +6.50 #13GRI/CAM - -analytic 65.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +1.000Br- = EuBr+2 - log_k +0.25 #95SPA/BRU - delta_h +1.397 #kJ/mol -# Enthalpy of formation: -725.337 kJ/mol - -analytic 49.47439E-2 00.00000E+0 -72.97039E+0 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +2.000Br- = EuBr2+ - log_k -0.09 #95SPA/BRU - delta_h +7.625 #kJ/mol -# Enthalpy of formation: -840.520 kJ/mol - -analytic 12.45843E-1 00.00000E+0 -39.82815E+1 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +1.000Cl- = EuCl+2 - log_k +0.76 #Original data 01LUO/BYR and 04LUO/BYR - delta_h +19.940 #kJ/mol 00YEH -# Enthalpy of formation: -752.465 kJ/mol - -analytic 42.53338E-1 00.00000E+0 -10.41539E+2 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +2.000Cl- = EuCl2+ - log_k -0.05 #95SPA/BRU - delta_h +22.870 #kJ/mol -# Enthalpy of formation: -916.614 kJ/mol - -analytic 39.56652E-1 00.00000E+0 -11.94583E+2 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +1.000F- = EuF+2 - log_k +4.33 #07LUO/BYR - delta_h +8.190 #kJ/mol 04LUO/MIL -# Enthalpy of formation: -932.485 kJ/mol - -analytic 57.64826E-1 00.00000E+0 -42.77935E+1 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +2.000F- = EuF2+ - log_k +6.55 #Original data from 99SCH/BYR and 04LUO/BYR - delta_h +18.580 #kJ/mol 04LUO/MIL -# Enthalpy of formation: -1257.445 kJ/mol - -analytic 98.05076E-1 00.00000E+0 -97.05010E+1 00.00000E+0 00.00000E+0 - -+1.000Eu+3 +3.000F- = EuF3 - log_k +10.60 #95SPA/BRU - delta_h +27.850 #kJ/mol -# Enthalpy of formation: -1583.524 kJ/mol - -analytic 15.47911E+0 00.00000E+0 -14.54707E+2 00.00000E+0 00.00000E+0 - -+1.000Eu+3 -1.000H+ +1.000H4(SiO4) = EuSiO(OH)3+2 - log_k -2.62 #Original data 07THA/SIN and 96JEN/CHO1 - -analytic -26.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000B(OH)4- = Fe(B(OH)4)+2 - log_k +8.58 #80BAS - -analytic 85.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +2.000B(OH)4- = Fe(B(OH)4)2+ - log_k +15.54 #80BAS - -analytic 15.54000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000Cit-3 = Fe(Cit) - log_k +12.65 #95AKR/BOU - -analytic 12.65000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +1.000Cit-3 = Fe(Cit)- - log_k +6.10 #95AKR/BOU - -analytic 61.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 -1.000H+ +1.000Cit-3 +1.000H2O = Fe(Cit)(OH)- - log_k +10.33 #95AKR/BOU - -analytic 10.33000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +2.000Cit-3 = Fe(Cit)2-3 - log_k +18.15 #95AKR/BOU - -analytic 18.15000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +2.000CO3-2 = Fe(CO3)2-2 - log_k +7.04 #13LEM/BER - delta_h +58.257 #kJ/mol -# Enthalpy of formation: -1382.499 kJ/mol - -analytic 17.24619E+0 00.00000E+0 -30.42975E+2 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +3.000CO3-2 = Fe(CO3)3-3 - log_k +24.00 #05GRI in 13LEM/BER - -analytic 24.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000Edta-4 = Fe(Edta)- - log_k +27.70 #95AKR/BOU - -analytic 27.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +1.000Edta-4 = Fe(Edta)-2 - log_k +16.02 #95AKR/BOU - -analytic 16.02000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +2.000H+ +1.000Cit-3 = Fe(H2Cit)+ - log_k +13.64 #91DUF/JOH - -analytic 13.64000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +2.000H+ +1.000Cit-3 = Fe(H2Cit)+2 - log_k +14.13 #82NAM/PAL - -analytic 14.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +1.000H2(PO4)- = Fe(H2PO4)+ - log_k +2.70 #20LEM/PAL - -analytic 27.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000H2(PO4)- = Fe(H2PO4)+2 - log_k +5.43 #Recalculated from 72NRIa in 20LEM/PAL - -analytic 54.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 -1.000H+ +1.000H4(SiO4) = Fe(H3SiO4)+2 - log_k +0.36 #88CHA/NEW - -analytic 36.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +1.000H+ +1.000Cit-3 = Fe(HCit) - log_k +10.02 #95AKR/BOU - -analytic 10.02000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000H+ +2.000Cit-3 = Fe(HCit)(Cit)-2 - log_k +19.30 #95AKR/BOU - -analytic 19.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000H+ +1.000Cit-3 = Fe(HCit)+ - log_k +13.56 #95AKR/BOU - -analytic 13.56000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +2.000H+ +2.000Cit-3 = Fe(HCit)2- - log_k +24.92 #95AKR/BOU - -analytic 24.92000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000H+ +1.000Edta-4 = Fe(HEdta) - log_k +29.20 #95AKR/BOU - -analytic 29.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +1.000H+ +1.000Edta-4 = Fe(HEdta)- - log_k +18.30 #95AKR/BOU - -analytic 18.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +1.000H+ +1.000Nta-3 = Fe(HNta) - log_k +12.30 #95AKR/BOU - -analytic 12.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000H+ +1.000Ox-2 = Fe(HOx)+2 - log_k +9.30 #95AKR/BOU - -analytic 93.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 -1.000H+ +1.000H2(PO4)- = Fe(HPO4) - log_k -3.61 #USGS original - -analytic -36.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +1.000HS- = Fe(HS)+ - log_k +4.34 #04CHI - -analytic 43.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +2.000HS- = Fe(HS)2 - log_k +6.45 #04CHI - -analytic 64.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000H+ +1.000SeO3-2 = Fe(HSeO3)+2 - log_k +12.35 #01SEB/POT2 - -analytic 12.35000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +1.000NH3 = Fe(NH3)+2 - log_k +1.30 #82SCH - -analytic 13.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +2.000NH3 = Fe(NH3)2+2 - log_k +2.10 #82SCH - -analytic 21.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +4.000NH3 = Fe(NH3)4+2 - log_k +3.60 #82SCH - -analytic 36.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000NO3- = Fe(NO3)+2 - log_k +0.95 #HATCHES 8.0 1996 - -analytic 95.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000Nta-3 = Fe(Nta) - log_k +18.60 #95AKR/BOU - -analytic 18.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +1.000Nta-3 = Fe(Nta)- - log_k +10.60 #95AKR/BOU - -analytic 10.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +2.000Nta-3 = Fe(Nta)2-3 - log_k +27.00 #95AKR/BOU - -analytic 27.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +2.000Nta-3 = Fe(Nta)2-4 - log_k +13.50 #95AKR/BOU - -analytic 13.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 -1.000H+ +1.000Cit-3 +1.000H2O = Fe(OH)(Cit)-2 - log_k -0.86 #91DUF/JOH - -analytic -86.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 -1.000H+ +1.000Edta-4 +1.000H2O = Fe(OH)(Edta)-2 - log_k +20.84 #95AKR/BOU - -analytic 20.84000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 -1.000H+ +1.000Edta-4 +1.000H2O = Fe(OH)(Edta)-3 - log_k +6.40 #95AKR/BOU - -analytic 64.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 -1.000H+ +1.000Nta-3 +1.000H2O = Fe(OH)(Nta)- - log_k +14.60 #95AKR/BOU - -analytic 14.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 -1.000H+ +1.000Nta-3 +1.000H2O = Fe(OH)(Nta)-2 - log_k -0.12 #95AKR/BOU - -analytic -12.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 -1.000H+ +1.000H2O = Fe(OH)+ - log_k -9.25 #21RIB/BEG - delta_h +40.921 #kJ/mol 21RIB/BEG -# Enthalpy of formation: -335.204 kJ/mol - -analytic -20.80949E-1 00.00000E+0 -21.37453E+2 00.00000E+0 00.00000E+0 - -+1.000Fe+3 -1.000H+ +1.000H2O = Fe(OH)+2 - log_k -2.15 #13LEM/BER - delta_h +38.800 #kJ/mol 13LEM/BER -# Enthalpy of formation: -297.086 kJ/mol - -analytic 46.47468E-1 00.00000E+0 -20.26665E+2 00.00000E+0 00.00000E+0 - -+1.000Fe+2 -2.000H+ +2.000H2O = Fe(OH)2 - log_k -20.84 #21RIB/BEG - delta_h +114.131 #kJ/mol 21RIB/BEG -# Enthalpy of formation: -547.824 kJ/mol - -analytic -84.51071E-2 00.00000E+0 -59.61477E+2 00.00000E+0 00.00000E+0 - -+1.000Fe+3 -2.000H+ +1.000Cit-3 +2.000H2O = Fe(OH)2(Cit)-2 - log_k +2.90 #95AKR/BOU - -analytic 29.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 -2.000H+ +1.000Edta-4 +2.000H2O = Fe(OH)2(Edta)-3 - log_k +10.06 #95AKR/BOU - -analytic 10.06000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 -2.000H+ +1.000Edta-4 +2.000H2O = Fe(OH)2(Edta)-4 - log_k -4.40 #95AKR/BOU - -analytic -44.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 -2.000H+ +1.000Nta-3 +2.000H2O = Fe(OH)2(Nta)-2 - log_k +6.00 #95AKR/BOU - -analytic 60.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 -2.000H+ +2.000H2O = Fe(OH)2+ - log_k -4.80 #13LEM/BER - delta_h +71.546 #kJ/mol 76BAE/MES in 98CHI -# Enthalpy of formation: -550.170 kJ/mol - -analytic 77.34321E-1 00.00000E+0 -37.37108E+2 00.00000E+0 00.00000E+0 - -+1.000Fe+3 -3.000H+ +3.000H2O = Fe(OH)3 - log_k -12.56 #95BOU in 04CHI - delta_h +103.764 #kJ/mol 95BOU in 04CHI -# Enthalpy of formation: -803.782 kJ/mol - -analytic 56.18672E-1 00.00000E+0 -54.19971E+2 00.00000E+0 00.00000E+0 - -+1.000Fe+2 -3.000H+ +3.000H2O = Fe(OH)3- - log_k -33.84 #21RIB/BEG - delta_h +162.231 #kJ/mol 21RIB/BEG -# Enthalpy of formation: -785.554 kJ/mol - -analytic -54.18349E-1 00.00000E+0 -84.73915E+2 00.00000E+0 00.00000E+0 - -+1.000Fe+3 -3.000H+ +1.000Edta-4 +3.000H2O = Fe(OH)3(Edta)-4 - log_k -2.24 #51SCH/HEL - -analytic -22.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 -4.000H+ +4.000H2O = Fe(OH)4- - log_k -21.60 #76BAE/MES in 04CHI - delta_h +133.471 #kJ/mol 95BOU in 04CHI -# Enthalpy of formation: -1059.905 kJ/mol - -analytic 17.83115E-1 00.00000E+0 -69.71676E+2 00.00000E+0 00.00000E+0 - -+1.000Fe+2 -4.000H+ +4.000H2O = Fe(OH)4-2 - log_k -46.32 #21RIB/BEG from 56GAY/WOO - delta_h +160.750 #kJ/mol -# Enthalpy of formation: -1072.864 kJ/mol - -analytic -18.15781E+0 00.00000E+0 -83.96557E+2 00.00000E+0 00.00000E+0 - -+1.000Fe+3 -1.000H+ +1.000CO3-2 +1.000H2O = Fe(OH)CO3 - log_k +10.70 #05GRI - -analytic 10.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +1.000Ox-2 = Fe(Ox) - log_k +4.10 #95AKR/BOU - -analytic 41.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000Ox-2 = Fe(Ox)+ - log_k +9.53 #95AKR/BOU - -analytic 95.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +2.000Ox-2 = Fe(Ox)2- - log_k +15.75 #95AKR/BOU - -analytic 15.75000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +2.000Ox-2 = Fe(Ox)2-2 - log_k +6.20 #95AKR/BOU - -analytic 62.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +3.000Ox-2 = Fe(Ox)3-3 - log_k +20.20 #95AKR/BOU - -analytic 20.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +3.000Ox-2 = Fe(Ox)3-4 - log_k +5.22 #95AKR/BOU - -analytic 52.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 -2.000H+ +1.000H2(PO4)- = Fe(PO4) - log_k +3.44 #Recalculated from 07IUL/CIA in 20LEM/PAL - -analytic 34.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000SeO3-2 = Fe(SeO3)+ - log_k +11.15 #05OLI/NOL - -analytic 11.15000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +1.000SeO4-2 = Fe(SeO4) - log_k +2.71 #01SEB/POT2 - delta_h -12.425 #kJ/mol -# Enthalpy of formation: -706.220 kJ/mol - -analytic 53.32334E-2 00.00000E+0 64.90029E+1 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +1.000SO4-2 = Fe(SO4) - log_k +2.44 #13LEM/BER - delta_h +8.400 #kJ/mol 13LEM/BER -# Enthalpy of formation: -991.235 kJ/mol - -analytic 39.11617E-1 00.00000E+0 -43.87626E+1 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000SO4-2 = Fe(SO4)+ - log_k +4.25 #13LEM/BER - delta_h +26.000 #kJ/mol Suggested but not selected 13LEM/BER -# Enthalpy of formation: -933.396 kJ/mol - -analytic 88.05004E-1 00.00000E+0 -13.58075E+2 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +2.000SO4-2 = Fe(SO4)2- - log_k +6.22 #91PEA/BER in 98CHI - -analytic 62.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Fe+3 -2.000H+ +2.000Cit-3 +2.000H2O = Fe2(Cit)2(OH)2-2 - log_k +17.00 #95AKR/BOU - -analytic 17.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Fe+3 -2.000H+ +2.000Edta-4 +2.000H2O = Fe2(OH)2(Edta)2-4 - log_k +40.00 #95AKR/BOU - -analytic 40.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Fe+3 -2.000H+ +2.000H2O = Fe2(OH)2+4 - log_k -2.82 #13LEM/BER - delta_h +44.000 #kJ/mol 13LEM/BER -# Enthalpy of formation: -627.772 kJ/mol - -analytic 48.88469E-1 00.00000E+0 -22.98280E+2 00.00000E+0 00.00000E+0 - -+3.000Fe+3 -4.000H+ +4.000H2O = Fe3(OH)4+5 - log_k -6.30 #76BAE/MES in 98CHI - delta_h +59.831 #kJ/mol 76BAE/MES -# Enthalpy of formation: -1233.657 kJ/mol - -analytic 41.81941E-1 00.00000E+0 -31.25191E+2 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000Br- = FeBr+2 - log_k +0.70 #88CHA/NEW - -analytic 70.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +2.000Br- = FeBr2+ - log_k +0.90 #96FAL/REA - -analytic 90.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +1.000Cl- = FeCl+ - log_k +1.00 #Suggested in 13LEM/BER - delta_h +21.551 #kJ/mol 13LEM/BER -# Enthalpy of formation: -235.824 kJ/mol - -analytic 47.75573E-1 00.00000E+0 -11.25687E+2 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000Cl- = FeCl+2 - log_k +1.52 #13LEM/BER - delta_h +22.500 #kJ/mol 13LEM/BER -# Enthalpy of formation: -194.636 kJ/mol - -analytic 54.61831E-1 00.00000E+0 -11.75257E+2 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +2.000Cl- = FeCl2+ - log_k +2.22 #13LEM/BER - -analytic 22.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +3.000Cl- = FeCl3 - log_k +1.02 #13LEM/BER - -analytic 10.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +4.000Cl- = FeCl4- - log_k -0.98 #13LEM/BER - -analytic -98.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +1.000CO3-2 = FeCO3 - log_k +5.27 #13LEM/BER - delta_h -3.367 #kJ/mol -# Enthalpy of formation: -768.892 kJ/mol - -analytic 46.80127E-1 00.00000E+0 17.58707E+1 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000CrO4-2 = FeCrO4+ - log_k +7.80 #96BAR/PAL - delta_h +19.100 #kJ/mol 96BAR/PAL -# Enthalpy of formation: -909.956 kJ/mol - -analytic 11.14618E+0 00.00000E+0 -99.76625E+1 00.00000E+0 00.00000E+0 - -+1.000Fe+2 +1.000F- = FeF+ - log_k +1.70 #13LEM/BER - -analytic 17.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000F- = FeF+2 - log_k +6.09 #20LEM/PAL - delta_h +12.800 #kJ/mol 20LEM/PAL -# Enthalpy of formation: -372.606 kJ/mol - -analytic 83.32464E-1 00.00000E+0 -66.85906E+1 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +2.000F- = FeF2+ - log_k +10.41 #Calculated in 20LEM/PAL - delta_h +22.000 #kJ/mol Calculated in 20LEM/PAL -# Enthalpy of formation: -698.756 kJ/mol - -analytic 14.26423E+0 00.00000E+0 -11.49140E+2 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +2.000H+ +1.000Pyrophos-4 = FeH2Pyrophos+ - log_k +26.00 #88CHA/NEW - -analytic 26.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000I- = FeI+2 - log_k +2.10 #96BOU2 - -analytic 21.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Fe+3 +1.000S2O3-2 = FeS2O3+ - log_k +3.90 #82SCH - -analytic 39.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000Adipate-2 = H(Adipate)- - log_k +5.45 #04MAR/SMI - -analytic 54.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +1.000H3(AsO3) = H(AsO3)-2 - log_k -23.62 #79IVA/VOR - -analytic -23.62000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000AsO4-3 = H(AsO4)-2 - log_k +11.60 - delta_h -18.200 #kJ/mol + -analytic -41.23547E-1 00E+0 -34.3363E+2 00E+0 00E+0 + +Cs+ + Br- = CsBr + log_k 0.1 + delta_h 5.912 #kJ/mol +# Enthalpy of formation: -373.497 kJ/mol + -analytic 11.35738E-1 00E+0 -30.88053E+1 00E+0 00E+0 + +Cs+ + Cl- = CsCl + log_k -0.09 + delta_h 7.514 #kJ/mol +# Enthalpy of formation: -417.566 kJ/mol + -analytic 12.26396E-1 00E+0 -39.24836E+1 00E+0 00E+0 + +Cs+ + F- = CsF + log_k -0.38 + delta_h 2.436 #kJ/mol +# Enthalpy of formation: -590.913 kJ/mol + -analytic 46.76888E-3 00E+0 -12.72411E+1 00E+0 00E+0 + +Cs+ + I- = CsI + log_k 1.05 + delta_h -0.071 #kJ/mol +# Enthalpy of formation: -314.850 kJ/mol + -analytic 10.37561E-1 00E+0 37.08588E-1 00E+0 00E+0 + +Cu+2 + B(OH)4- = Cu(B(OH)4)+ + log_k 7.13 #80BAS + -analytic 71.3E-1 00E+0 00E+0 00E+0 00E+0 + +Cu+2 + 2 B(OH)4- = Cu(B(OH)4)2 + log_k 12.45 #80BAS + -analytic 12.45E+0 00E+0 00E+0 00E+0 00E+0 + +Cu+2 + 3 B(OH)4- = Cu(B(OH)4)3- + log_k 15.17 #80BAS + -analytic 15.17E+0 00E+0 00E+0 00E+0 00E+0 + +Cu+2 + 2 CO3-2 = Cu(CO3)2-2 + log_k 10.3 #07POW/BRO + delta_h 36.616 #kJ/mol +# Enthalpy of formation: -1248.945 kJ/mol + -analytic 16.71485E+0 00E+0 -19.12587E+2 00E+0 00E+0 + +Cu+ + 2 HS- = Cu(HS)2- + log_k 17.18 #99MON/SEW + delta_h -78.863 #kJ/mol +# Enthalpy of formation: -40.875 kJ/mol + -analytic 33.63795E-1 00E+0 41.19301E+2 00E+0 00E+0 + +Cu+2 - H+ + H2O = Cu(OH)+ + log_k -7.97 #97PLY/WAN + delta_h 36 #kJ/mol 76ARE/CAL in 97PLY/WAN +# Enthalpy of formation: -184.930 kJ/mol + -analytic -16.63071E-1 00E+0 -18.80411E+2 00E+0 00E+0 + +Cu+2 - 2 H+ + 2 H2O = Cu(OH)2 + log_k -16.23 #97PLY/WAN + delta_h 92.82 #kJ/mol 76ARE/CAL in 97PLY/WAN +# Enthalpy of formation: -413.940 kJ/mol + -analytic 31.36597E-3 00E+0 -48.48326E+2 00E+0 00E+0 + +Cu+ - 2 H+ + 2 H2O = Cu(OH)2- + log_k -18.2 #11PAL + delta_h 57.672 #kJ/mol +# Enthalpy of formation: -443.399 kJ/mol + -analytic -80.96299E-1 00E+0 -30.12418E+2 00E+0 00E+0 + +Cu+2 - 3 H+ + 3 H2O = Cu(OH)3- + log_k -26.63 #36DOW/JOH in 97PLY/WAN + delta_h 114.482 #kJ/mol +# Enthalpy of formation: -678.107 kJ/mol + -analytic -65.73615E-1 00E+0 -59.79811E+2 00E+0 00E+0 + +Cu+2 - 4 H+ + 4 H2O = Cu(OH)4-2 + log_k -39.73 #36DOW/JOH, 67AKH in 97PLY/WAN + -analytic -39.73E+0 00E+0 00E+0 00E+0 00E+0 + +Cu+2 + SeO4-2 = Cu(SeO4) + log_k 2.2 #Upper value suggested in 05OLI/NOL + -analytic 22E-1 00E+0 00E+0 00E+0 00E+0 + +2 Cu+2 - H+ + H2O = Cu2(OH)+3 + log_k -6.71 #97PLY/WAN + delta_h 46.1 #kJ/mol 97ROB/STE +# Enthalpy of formation: -109.930 kJ/mol + -analytic 13.66373E-1 00E+0 -24.07971E+2 00E+0 00E+0 + +2 Cu+2 - 2 H+ + 2 H2O = Cu2(OH)2+2 + log_k -10.55 #97PLY/WAN + delta_h 75.4 #kJ/mol 97PLY/WAN +# Enthalpy of formation: -366.460 kJ/mol + -analytic 26.59513E-1 00E+0 -39.38416E+2 00E+0 00E+0 + +2 Cu+ + 4 Cl- = Cu2Cl4-2 + log_k 10.55 #80FRIN in 00PUI/TAX + delta_h -54.86 #kJ/mol 00PUI/TAX +# Enthalpy of formation: -582.002 kJ/mol + -analytic 93.89406E-2 00E+0 28.65537E+2 00E+0 00E+0 + +2 Cu+ - H+ + 3 HS- = Cu2S(HS)2-2 + log_k 29.87 #99MON/SEW + delta_h -314.862 #kJ/mol +# Enthalpy of formation: -222.586 kJ/mol + -analytic -25.29145E+0 00E+0 16.44639E+3 00E+0 00E+0 + +3 Cu+2 - 4 H+ + 4 H2O = Cu3(OH)4+2 + log_k -20.94 #76ARE/CAL in 97PLY/WAN + delta_h 110 #kJ/mol 76ARE/CAL in 97PLY/WAN +# Enthalpy of formation: -838.620 kJ/mol + -analytic -16.68827E-1 00E+0 -57.457E+2 00E+0 00E+0 + +3 Cu+ + 6 Cl- = Cu3Cl6-3 + log_k 15.99 #80FRI in 00PUI/TAX + delta_h 124.51 #kJ/mol 00PUI/TAX +# Enthalpy of formation: -666.203 kJ/mol + -analytic 37.80322E+0 00E+0 -65.0361E+2 00E+0 00E+0 + +Cu+ + Cl- = CuCl + log_k 3.3 #98XIA/GAM + delta_h 3.763 #kJ/mol +# Enthalpy of formation: -92.728 kJ/mol + -analytic 39.59249E-1 00E+0 -19.65552E+1 00E+0 00E+0 + +Cu+2 + Cl- = CuCl+ + log_k 0.64 #97WAN/ZHA + delta_h 8.7 #kJ/mol 97WAN/ZHA +# Enthalpy of formation: -93.480 kJ/mol + -analytic 21.64175E-1 00E+0 -45.44326E+1 00E+0 00E+0 + +Cu+2 + 2 Cl- = CuCl2 + log_k 0.6 #97WAN/ZHA + delta_h 23 #kJ/mol 97WAN/ZHA +# Enthalpy of formation: -246.260 kJ/mol + -analytic 46.29427E-1 00E+0 -12.01374E+2 00E+0 00E+0 + +Cu+ + 2 Cl- = CuCl2- + log_k 5.68 #97WAN/ZHA + delta_h -14.25 #kJ/mol 84FRI in 97WAN/ZHA +# Enthalpy of formation: -277.821 kJ/mol + -analytic 31.83507E-1 00E+0 74.43293E+1 00E+0 00E+0 + +Cu+2 + 3 Cl- = CuCl3- + log_k -1.28 #97WAN/ZHA + delta_h 22.2 #kJ/mol 97WAN/ZHA +# Enthalpy of formation: -414.140 kJ/mol + -analytic 26.09273E-1 00E+0 -11.59587E+2 00E+0 00E+0 + +Cu+ + 3 Cl- = CuCl3-2 + log_k 5.03 #97WAN/ZHA + delta_h -27.33 #kJ/mol 97WAN/ZHA +# Enthalpy of formation: -457.981 kJ/mol + -analytic 24.19895E-2 00E+0 14.27545E+2 00E+0 00E+0 + +Cu+2 + 4 Cl- = CuCl4-2 + log_k -3.98 #97WAN/ZHA + delta_h 28 #kJ/mol 97WAN/ZHA +# Enthalpy of formation: -575.420 kJ/mol + -analytic 92.53894E-2 00E+0 -14.62542E+2 00E+0 00E+0 + +Cu+2 + CO3-2 = CuCO3 + log_k 6.75 #07POW/BRO + delta_h 10.4 #kJ/mol 89SOL/BYR +# Enthalpy of formation: -599.930 kJ/mol + -analytic 85.72002E-1 00E+0 -54.32298E+1 00E+0 00E+0 + +Cu+2 + H+ + CO3-2 = CuHCO3+ + log_k 12.17 #07POW/BRO + delta_h -5.841 #kJ/mol +# Enthalpy of formation: -616.172 kJ/mol + -analytic 11.1467E+0 00E+0 30.50967E+1 00E+0 00E+0 + +Cu+ + HS- = CuHS + log_k 13 #99MON/SEW + delta_h -44.866 #kJ/mol +# Enthalpy of formation: +9.422 kJ/mol + -analytic 51.39814E-1 00E+0 23.43514E+2 00E+0 00E+0 + +Cu+ - H+ + H2O = CuOH + log_k -7.68 #11PAL + -analytic -76.8E-1 00E+0 00E+0 00E+0 00E+0 + +Cu+ + S2O3-2 = CuS2O3- + log_k 10.13 + delta_h -51.13 #kJ/mol +# Enthalpy of formation: -632.828 kJ/mol + -analytic 11.72409E-1 00E+0 26.70706E+2 00E+0 00E+0 + +Cu+2 + SO4-2 = CuSO4 + log_k 2.31 + delta_h 5.102 #kJ/mol +# Enthalpy of formation: -839.338 kJ/mol + -analytic 32.03832E-1 00E+0 -26.6496E+1 00E+0 00E+0 + +Eu+3 + Acetate- = Eu(Acetate)+2 + log_k 2.9 #12GRI/GAR2 + -analytic 29E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 2 Acetate- = Eu(Acetate)2+ + log_k 4.8 #12GRI/GAR2 + -analytic 48E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 3 Acetate- = Eu(Acetate)3 + log_k 5.6 #12GRI/GAR2 + -analytic 56E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + Cit-3 = Eu(Cit) + log_k 8.55 #Analogy with Am + -analytic 85.5E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 2 Cit-3 = Eu(Cit)2-3 + log_k 13.9 #Analogy with Am + -analytic 13.9E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + CO3-2 = Eu(CO3)+ + log_k 7.9 #95SPA/BRU + delta_h 26.15 #kJ/mol +# Enthalpy of formation: -1254.406 kJ/mol + -analytic 12.48128E+0 00E+0 -13.6591E+2 00E+0 00E+0 + +Eu+3 + 2 CO3-2 = Eu(CO3)2- + log_k 12.9 #95SPA/BRU + -analytic 12.9E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 3 CO3-2 = Eu(CO3)3-3 + log_k 14.8 #05VER/VIT2 + -analytic 14.8E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + Edta-4 = Eu(Edta)- + log_k 19.67 #Analoly with Am(Edta)- + -analytic 19.67E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + H2(PO4)- = Eu(H2PO4)+2 + log_k 2.4 #95SPA/BRU + -analytic 24E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + H+ + Cit-3 = Eu(HCit)+ + log_k 12.86 #Analogy with Am + -analytic 12.86E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 2 H+ + 2 Cit-3 = Eu(HCit)2- + log_k 23.52 #Analogy with Am + -analytic 23.52E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + H+ + CO3-2 = Eu(HCO3)+2 + log_k 12.43 #95SPA/BRU + -analytic 12.43E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + H+ + Edta-4 = Eu(HEdta) + log_k 21.84 #Analogy with Am(HEdta) + -analytic 21.84E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 - H+ + H2(PO4)- = Eu(HPO4)+ + log_k -1.51 #95SPA/BRU + -analytic -15.1E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 - 2 H+ + 2 H2(PO4)- = Eu(HPO4)2- + log_k -4.82 #95SPA/BRU + -analytic -48.2E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + Malonate-2 = Eu(Malonate)+ + log_k 5.43 #13GRI/CAM + -analytic 54.3E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 2 Malonate-2 = Eu(Malonate)2- + log_k 7.78 #13GRI/CAM + -analytic 77.8E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + NO3- = Eu(NO3)+2 + log_k 1.21 #09RAO/TIA1 (Calculated usig SIT) + -analytic 12.1E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + Nta-3 = Eu(Nta) + log_k 13 #Analogy with Am(Nta)(aq) + -analytic 13E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 - H+ + H2O = Eu(OH)+2 + log_k -7.8 #95SPA/BRU + delta_h 51.104 #kJ/mol +# Enthalpy of formation: -840.051 kJ/mol + -analytic 11.53036E-1 00E+0 -26.69348E+2 00E+0 00E+0 + +Eu+3 - 2 H+ + HGlu- + 2 H2O = Eu(OH)2(HGlu) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 - 2 H+ + HIsa- + 2 H2O = Eu(OH)2(HIsa) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 - 2 H+ + 2 H2O = Eu(OH)2+ + log_k -15.7 #07NEC/ALT2 + delta_h 104.24 #kJ/mol +# Enthalpy of formation: -1072.744 kJ/mol + -analytic 25.62064E-1 00E+0 -54.44834E+2 00E+0 00E+0 + +Eu+3 - 3 H+ + 3 H2O = Eu(OH)3 + log_k -26.2 #07NEC/ALT2 + delta_h 162.995 #kJ/mol +# Enthalpy of formation: -1299.819 kJ/mol + -analytic 23.55498E-1 00E+0 -85.13822E+2 00E+0 00E+0 + +Eu+3 - 4 H+ + 4 H2O = Eu(OH)4- + log_k -40.7 #07NEC/ALT2 + delta_h 235.317 #kJ/mol +# Enthalpy of formation: -1513.326 kJ/mol + -analytic 52.57687E-2 00E+0 -12.29146E+3 00E+0 00E+0 + +Eu+3 + Ox-2 = Eu(Ox)+ + log_k +6.55 #Richard et al. 2011 Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR + -analytic 65.5E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 2 Ox-2 = Eu(Ox)2- + log_k +10.93 # Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR + -analytic 10.93E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 3 Ox-2 = Eu(Ox)3-3 + log_k +12.48 #Richard et al. 2011 Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR + -analytic 12.48E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + Phthalat-2 = Eu(Phthalat)+ + log_k 4.96 #11GRI/COL2 + -analytic 49.6E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 2 Phthalat-2 = Eu(Phthalat)2- + log_k 7.34 #11GRI/COL2 + -analytic 73.4E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 - 2 H+ + H2(PO4)- = Eu(PO4) + log_k -7.36 #95SPA/BRU + -analytic -73.6E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 - 4 H+ + 2 H2(PO4)- = Eu(PO4)2-3 + log_k -18.46 #95SPA/BRU + -analytic -18.46E+0 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + SO4-2 = Eu(SO4)+ + log_k 3.5 #95SPA/BRU + delta_h 15.577 #kJ/mol +# Enthalpy of formation: -1499.088 kJ/mol + -analytic 62.28973E-1 00E+0 -81.36434E+1 00E+0 00E+0 + +Eu+3 + 2 SO4-2 = Eu(SO4)2- + log_k 5.2 #95SPA/BRU + delta_h 23.017 #kJ/mol +# Enthalpy of formation: -2400.987 kJ/mol + -analytic 92.32405E-1 00E+0 -12.02262E+2 00E+0 00E+0 + +Eu+3 + Succinat-2 = Eu(Succinat)+ + log_k 4.36 #13GRI/CAM + -analytic 43.6E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + 2 Succinat-2 = Eu(Succinat)2- + log_k 6.5 #13GRI/CAM + -analytic 65E-1 00E+0 00E+0 00E+0 00E+0 + +Eu+3 + Br- = EuBr+2 + log_k 0.25 #95SPA/BRU + delta_h 1.397 #kJ/mol +# Enthalpy of formation: -725.337 kJ/mol + -analytic 49.47439E-2 00E+0 -72.97039E+0 00E+0 00E+0 + +Eu+3 + 2 Br- = EuBr2+ + log_k -0.09 #95SPA/BRU + delta_h 7.625 #kJ/mol +# Enthalpy of formation: -840.520 kJ/mol + -analytic 12.45843E-1 00E+0 -39.82815E+1 00E+0 00E+0 + +Eu+3 + Cl- = EuCl+2 + log_k 0.76 #Original data 01LUO/BYR and 04LUO/BYR + delta_h 19.94 #kJ/mol 00YEH +# Enthalpy of formation: -752.465 kJ/mol + -analytic 42.53338E-1 00E+0 -10.41539E+2 00E+0 00E+0 + +Eu+3 + 2 Cl- = EuCl2+ + log_k -0.05 #95SPA/BRU + delta_h 22.87 #kJ/mol +# Enthalpy of formation: -916.614 kJ/mol + -analytic 39.56652E-1 00E+0 -11.94583E+2 00E+0 00E+0 + +Eu+3 + F- = EuF+2 + log_k 4.33 #07LUO/BYR + delta_h 8.19 #kJ/mol 04LUO/MIL +# Enthalpy of formation: -932.485 kJ/mol + -analytic 57.64826E-1 00E+0 -42.77935E+1 00E+0 00E+0 + +Eu+3 + 2 F- = EuF2+ + log_k 6.55 #Original data from 99SCH/BYR and 04LUO/BYR + delta_h 18.58 #kJ/mol 04LUO/MIL +# Enthalpy of formation: -1257.445 kJ/mol + -analytic 98.05076E-1 00E+0 -97.0501E+1 00E+0 00E+0 + +Eu+3 + 3 F- = EuF3 + log_k 10.6 #95SPA/BRU + delta_h 27.85 #kJ/mol +# Enthalpy of formation: -1583.524 kJ/mol + -analytic 15.47911E+0 00E+0 -14.54707E+2 00E+0 00E+0 + +Eu+3 - H+ + H4(SiO4) = EuSiO(OH)3+2 + log_k -2.62 #Original data 07THA/SIN and 96JEN/CHO1 + -analytic -26.2E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + B(OH)4- = Fe(B(OH)4)+2 + log_k 8.58 #80BAS + -analytic 85.8E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 2 B(OH)4- = Fe(B(OH)4)2+ + log_k 15.54 #80BAS + -analytic 15.54E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + Cit-3 = Fe(Cit) + log_k 12.65 #95AKR/BOU + -analytic 12.65E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + Cit-3 = Fe(Cit)- + log_k 6.1 #95AKR/BOU + -analytic 61E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 - H+ + Cit-3 + H2O = Fe(Cit)(OH)- + log_k 10.33 #95AKR/BOU + -analytic 10.33E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 2 Cit-3 = Fe(Cit)2-3 + log_k 18.15 #95AKR/BOU + -analytic 18.15E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + 2 CO3-2 = Fe(CO3)2-2 + log_k 7.04 #13LEM/BER + delta_h 58.257 #kJ/mol +# Enthalpy of formation: -1382.499 kJ/mol + -analytic 17.24619E+0 00E+0 -30.42975E+2 00E+0 00E+0 + +Fe+3 + 3 CO3-2 = Fe(CO3)3-3 + log_k 24 #05GRI in 13LEM/BER + -analytic 24E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + Edta-4 = Fe(Edta)- + log_k 27.7 #95AKR/BOU + -analytic 27.7E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + Edta-4 = Fe(Edta)-2 + log_k 16.02 #95AKR/BOU + -analytic 16.02E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + 2 H+ + Cit-3 = Fe(H2Cit)+ + log_k 13.64 #91DUF/JOH + -analytic 13.64E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 2 H+ + Cit-3 = Fe(H2Cit)+2 + log_k 14.13 #82NAM/PAL + -analytic 14.13E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + H2(PO4)- = Fe(H2PO4)+ + log_k 2.7 #20LEM/PAL + -analytic 27E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + H2(PO4)- = Fe(H2PO4)+2 + log_k 5.43 #Recalculated from 72NRIa in 20LEM/PAL + -analytic 54.3E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 - H+ + H4(SiO4) = Fe(H3SiO4)+2 + log_k 0.36 #88CHA/NEW + -analytic 36E-2 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + H+ + Cit-3 = Fe(HCit) + log_k 10.02 #95AKR/BOU + -analytic 10.02E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + H+ + 2 Cit-3 = Fe(HCit)(Cit)-2 + log_k 19.3 #95AKR/BOU + -analytic 19.3E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + H+ + Cit-3 = Fe(HCit)+ + log_k 13.56 #95AKR/BOU + -analytic 13.56E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 2 H+ + 2 Cit-3 = Fe(HCit)2- + log_k 24.92 #95AKR/BOU + -analytic 24.92E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + H+ + Edta-4 = Fe(HEdta) + log_k 29.2 #95AKR/BOU + -analytic 29.2E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + H+ + Edta-4 = Fe(HEdta)- + log_k 18.3 #95AKR/BOU + -analytic 18.3E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + H+ + Nta-3 = Fe(HNta) + log_k 12.3 #95AKR/BOU + -analytic 12.3E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + H+ + Ox-2 = Fe(HOx)+2 + log_k 9.3 #95AKR/BOU + -analytic 93E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+2 - H+ + H2(PO4)- = Fe(HPO4) + log_k -3.61 #USGS original + -analytic -36.1E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + HS- = Fe(HS)+ + log_k 4.34 #04CHI + -analytic 43.4E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + 2 HS- = Fe(HS)2 + log_k 6.45 #04CHI + -analytic 64.5E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + H+ + SeO3-2 = Fe(HSeO3)+2 + log_k 12.35 #01SEB/POT2 + -analytic 12.35E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + NH3 = Fe(NH3)+2 + log_k 1.3 #82SCH + -analytic 13E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + 2 NH3 = Fe(NH3)2+2 + log_k 2.1 #82SCH + -analytic 21E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + 4 NH3 = Fe(NH3)4+2 + log_k 3.6 #82SCH + -analytic 36E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + NO3- = Fe(NO3)+2 + log_k 0.95 #HATCHES 8 1996 + -analytic 95E-2 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + Nta-3 = Fe(Nta) + log_k 18.6 #95AKR/BOU + -analytic 18.6E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + Nta-3 = Fe(Nta)- + log_k 10.6 #95AKR/BOU + -analytic 10.6E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 2 Nta-3 = Fe(Nta)2-3 + log_k 27 #95AKR/BOU + -analytic 27E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + 2 Nta-3 = Fe(Nta)2-4 + log_k 13.5 #95AKR/BOU + -analytic 13.5E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 - H+ + Cit-3 + H2O = Fe(OH)(Cit)-2 + log_k -0.86 #91DUF/JOH + -analytic -86E-2 00E+0 00E+0 00E+0 00E+0 + +Fe+3 - H+ + Edta-4 + H2O = Fe(OH)(Edta)-2 + log_k 20.84 #95AKR/BOU + -analytic 20.84E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 - H+ + Edta-4 + H2O = Fe(OH)(Edta)-3 + log_k 6.4 #95AKR/BOU + -analytic 64E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 - H+ + Nta-3 + H2O = Fe(OH)(Nta)- + log_k 14.6 #95AKR/BOU + -analytic 14.6E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 - H+ + Nta-3 + H2O = Fe(OH)(Nta)-2 + log_k -0.12 #95AKR/BOU + -analytic -12E-2 00E+0 00E+0 00E+0 00E+0 + +Fe+2 - H+ + H2O = Fe(OH)+ + log_k -9.25 #21RIB/BEG + delta_h 40.921 #kJ/mol 21RIB/BEG +# Enthalpy of formation: -335.204 kJ/mol + -analytic -20.80949E-1 00E+0 -21.37453E+2 00E+0 00E+0 + +Fe+3 - H+ + H2O = Fe(OH)+2 + log_k -2.15 #13LEM/BER + delta_h 38.8 #kJ/mol 13LEM/BER +# Enthalpy of formation: -297.086 kJ/mol + -analytic 46.47468E-1 00E+0 -20.26665E+2 00E+0 00E+0 + +Fe+2 - 2 H+ + 2 H2O = Fe(OH)2 + log_k -20.84 #21RIB/BEG + delta_h 114.131 #kJ/mol 21RIB/BEG +# Enthalpy of formation: -547.824 kJ/mol + -analytic -84.51071E-2 00E+0 -59.61477E+2 00E+0 00E+0 + +Fe+3 - 2 H+ + Cit-3 + 2 H2O = Fe(OH)2(Cit)-2 + log_k 2.9 #95AKR/BOU + -analytic 29E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 - 2 H+ + Edta-4 + 2 H2O = Fe(OH)2(Edta)-3 + log_k 10.06 #95AKR/BOU + -analytic 10.06E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 - 2 H+ + Edta-4 + 2 H2O = Fe(OH)2(Edta)-4 + log_k -4.4 #95AKR/BOU + -analytic -44E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 - 2 H+ + Nta-3 + 2 H2O = Fe(OH)2(Nta)-2 + log_k 6 #95AKR/BOU + -analytic 60E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 - 2 H+ + 2 H2O = Fe(OH)2+ + log_k -4.8 #13LEM/BER + delta_h 71.546 #kJ/mol 76BAE/MES in 98CHI +# Enthalpy of formation: -550.170 kJ/mol + -analytic 77.34321E-1 00E+0 -37.37108E+2 00E+0 00E+0 + +Fe+3 - 3 H+ + 3 H2O = Fe(OH)3 + log_k -12.56 #95BOU in 04CHI + delta_h 103.764 #kJ/mol 95BOU in 04CHI +# Enthalpy of formation: -803.782 kJ/mol + -analytic 56.18672E-1 00E+0 -54.19971E+2 00E+0 00E+0 + +Fe+2 - 3 H+ + 3 H2O = Fe(OH)3- + log_k -33.84 #21RIB/BEG + delta_h 162.231 #kJ/mol 21RIB/BEG +# Enthalpy of formation: -785.554 kJ/mol + -analytic -54.18349E-1 00E+0 -84.73915E+2 00E+0 00E+0 + +Fe+3 - 3 H+ + Edta-4 + 3 H2O = Fe(OH)3(Edta)-4 + log_k -2.24 #51SCH/HEL + -analytic -22.4E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 - 4 H+ + 4 H2O = Fe(OH)4- + log_k -21.6 #76BAE/MES in 04CHI + delta_h 133.471 #kJ/mol 95BOU in 04CHI +# Enthalpy of formation: -1059.905 kJ/mol + -analytic 17.83115E-1 00E+0 -69.71676E+2 00E+0 00E+0 + +Fe+2 - 4 H+ + 4 H2O = Fe(OH)4-2 + log_k -46.32 #21RIB/BEG from 56GAY/WOO + delta_h 160.75 #kJ/mol +# Enthalpy of formation: -1072.864 kJ/mol + -analytic -18.15781E+0 00E+0 -83.96557E+2 00E+0 00E+0 + +Fe+3 - H+ + CO3-2 + H2O = Fe(OH)CO3 + log_k 10.7 #05GRI + -analytic 10.7E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + Ox-2 = Fe(Ox) + log_k 4.1 #95AKR/BOU + -analytic 41E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + Ox-2 = Fe(Ox)+ + log_k 9.53 #95AKR/BOU + -analytic 95.3E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 2 Ox-2 = Fe(Ox)2- + log_k 15.75 #95AKR/BOU + -analytic 15.75E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + 2 Ox-2 = Fe(Ox)2-2 + log_k 6.2 #95AKR/BOU + -analytic 62E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 3 Ox-2 = Fe(Ox)3-3 + log_k 20.2 #95AKR/BOU + -analytic 20.2E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + 3 Ox-2 = Fe(Ox)3-4 + log_k 5.22 #95AKR/BOU + -analytic 52.2E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 - 2 H+ + H2(PO4)- = Fe(PO4) + log_k 3.44 #Recalculated from 07IUL/CIA in 20LEM/PAL + -analytic 34.4E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + SeO3-2 = Fe(SeO3)+ + log_k 11.15 #05OLI/NOL + -analytic 11.15E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + SeO4-2 = Fe(SeO4) + log_k 2.71 #01SEB/POT2 + delta_h -12.425 #kJ/mol +# Enthalpy of formation: -706.220 kJ/mol + -analytic 53.32334E-2 00E+0 64.90029E+1 00E+0 00E+0 + +Fe+2 + SO4-2 = Fe(SO4) + log_k 2.44 #13LEM/BER + delta_h 8.4 #kJ/mol 13LEM/BER +# Enthalpy of formation: -991.235 kJ/mol + -analytic 39.11617E-1 00E+0 -43.87626E+1 00E+0 00E+0 + +Fe+3 + SO4-2 = Fe(SO4)+ + log_k 4.25 #13LEM/BER + delta_h 26 #kJ/mol Suggested but not selected 13LEM/BER +# Enthalpy of formation: -933.396 kJ/mol + -analytic 88.05004E-1 00E+0 -13.58075E+2 00E+0 00E+0 + +Fe+3 + 2 SO4-2 = Fe(SO4)2- + log_k 6.22 #91PEA/BER in 98CHI + -analytic 62.2E-1 00E+0 00E+0 00E+0 00E+0 + +2 Fe+3 - 2 H+ + 2 Cit-3 + 2 H2O = Fe2(Cit)2(OH)2-2 + log_k 17 #95AKR/BOU + -analytic 17E+0 00E+0 00E+0 00E+0 00E+0 + +2 Fe+3 - 2 H+ + 2 Edta-4 + 2 H2O = Fe2(OH)2(Edta)2-4 + log_k 40 #95AKR/BOU + -analytic 40E+0 00E+0 00E+0 00E+0 00E+0 + +2 Fe+3 - 2 H+ + 2 H2O = Fe2(OH)2+4 + log_k -2.82 #13LEM/BER + delta_h 44 #kJ/mol 13LEM/BER +# Enthalpy of formation: -627.772 kJ/mol + -analytic 48.88469E-1 00E+0 -22.9828E+2 00E+0 00E+0 + +3 Fe+3 - 4 H+ + 4 H2O = Fe3(OH)4+5 + log_k -6.3 #76BAE/MES in 98CHI + delta_h 59.831 #kJ/mol 76BAE/MES +# Enthalpy of formation: -1233.657 kJ/mol + -analytic 41.81941E-1 00E+0 -31.25191E+2 00E+0 00E+0 + +Fe+3 + Br- = FeBr+2 + log_k 0.7 #88CHA/NEW + -analytic 70E-2 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 2 Br- = FeBr2+ + log_k 0.9 #96FAL/REA + -analytic 90E-2 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + Cl- = FeCl+ + log_k 1 #Suggested in 13LEM/BER + delta_h 21.551 #kJ/mol 13LEM/BER +# Enthalpy of formation: -235.824 kJ/mol + -analytic 47.75573E-1 00E+0 -11.25687E+2 00E+0 00E+0 + +Fe+3 + Cl- = FeCl+2 + log_k 1.52 #13LEM/BER + delta_h 22.5 #kJ/mol 13LEM/BER +# Enthalpy of formation: -194.636 kJ/mol + -analytic 54.61831E-1 00E+0 -11.75257E+2 00E+0 00E+0 + +Fe+3 + 2 Cl- = FeCl2+ + log_k 2.22 #13LEM/BER + -analytic 22.2E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 3 Cl- = FeCl3 + log_k 1.02 #13LEM/BER + -analytic 10.2E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + 4 Cl- = FeCl4- + log_k -0.98 #13LEM/BER + -analytic -98E-2 00E+0 00E+0 00E+0 00E+0 + +Fe+2 + CO3-2 = FeCO3 + log_k 5.27 #13LEM/BER + delta_h -3.367 #kJ/mol +# Enthalpy of formation: -768.892 kJ/mol + -analytic 46.80127E-1 00E+0 17.58707E+1 00E+0 00E+0 + +Fe+3 + CrO4-2 = FeCrO4+ + log_k 7.8 #96BAR/PAL + delta_h 19.1 #kJ/mol 96BAR/PAL +# Enthalpy of formation: -909.956 kJ/mol + -analytic 11.14618E+0 00E+0 -99.76625E+1 00E+0 00E+0 + +Fe+2 + F- = FeF+ + log_k 1.7 #13LEM/BER + -analytic 17E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + F- = FeF+2 + log_k 6.09 #20LEM/PAL + delta_h 12.8 #kJ/mol 20LEM/PAL +# Enthalpy of formation: -372.606 kJ/mol + -analytic 83.32464E-1 00E+0 -66.85906E+1 00E+0 00E+0 + +Fe+3 + 2 F- = FeF2+ + log_k 10.41 #Calculated in 20LEM/PAL + delta_h 22 #kJ/mol Calculated in 20LEM/PAL +# Enthalpy of formation: -698.756 kJ/mol + -analytic 14.26423E+0 00E+0 -11.4914E+2 00E+0 00E+0 + +Fe+3 + 2 H+ + Pyrophos-4 = FeH2Pyrophos+ + log_k 26 #88CHA/NEW + -analytic 26E+0 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + I- = FeI+2 + log_k 2.1 #96BOU2 + -analytic 21E-1 00E+0 00E+0 00E+0 00E+0 + +Fe+3 + S2O3-2 = FeS2O3+ + log_k 3.9 #82SCH + -analytic 39E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + Adipate-2 = H(Adipate)- + log_k 5.45 #04MAR/SMI + -analytic 54.5E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + H3(AsO3) = H(AsO3)-2 + log_k -23.62 #79IVA/VOR + -analytic -23.62E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + AsO4-3 = H(AsO4)-2 + log_k 11.6 + delta_h -18.2 #kJ/mol # Enthalpy of formation: -906.340 kJ/mol 09RAN/FUG - -analytic 84.11497E-1 00.00000E+0 95.06522E+1 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000Cit-3 = H(Cit)-2 - log_k +6.36 #05HUM/AND - delta_h +3.300 #kJ/mol 05HUM/AND -# Enthalpy of formation: -1516.620 kJ/mol - -analytic 69.38135E-1 00.00000E+0 -17.23710E+1 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000Edta-4 = H(Edta)-3 - log_k +11.24 #05HUM/AND - delta_h -19.800 #kJ/mol 05HUM/AND -# Enthalpy of formation: -1724.600 kJ/mol - -analytic 77.71189E-1 00.00000E+0 10.34226E+2 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000Malonate-2 = H(Malonate)- - log_k +5.71 #13GRI/CAM - -analytic 57.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000Nta-3 = H(Nta)-2 - log_k +10.28 #95AKR/BOU - -analytic 10.28000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000Ox-2 = H(Ox)- - log_k +4.25 #05HUM/AND - delta_h +7.300 #kJ/mol 05HUM/AND -# Enthalpy of formation: -823.360 kJ/mol - -analytic 55.28905E-1 00.00000E+0 -38.13056E+1 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000Pyrophos-4 = H(Pyrophos)-3 - log_k +9.40 #92GRE/FUG - -analytic 94.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000S2O3-2 = H(S2O3)- - log_k +1.72 #04CHI - delta_h +8.253 #kJ/mol -# Enthalpy of formation: -644.033 kJ/mol - -analytic 31.65864E-1 00.00000E+0 -43.10842E+1 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000SeO3-2 = H(SeO3)- - log_k +8.36 #05OLI/NOL - delta_h -5.170 #kJ/mol + -analytic 84.11497E-1 00E+0 95.06522E+1 00E+0 00E+0 + +H+ + Cit-3 = H(Cit)-2 + log_k 6.36 #05HUM/AND + delta_h 3.3 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1516.620 kJ/mol + -analytic 69.38135E-1 00E+0 -17.2371E+1 00E+0 00E+0 + +H+ + Edta-4 = H(Edta)-3 + log_k 11.24 #05HUM/AND + delta_h -19.8 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1724.600 kJ/mol + -analytic 77.71189E-1 00E+0 10.34226E+2 00E+0 00E+0 + +H+ + Malonate-2 = H(Malonate)- + log_k 5.71 #13GRI/CAM + -analytic 57.1E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + Nta-3 = H(Nta)-2 + log_k 10.28 #95AKR/BOU + -analytic 10.28E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + Ox-2 = H(Ox)- + log_k 4.25 #05HUM/AND + delta_h 7.3 #kJ/mol 05HUM/AND +# Enthalpy of formation: -823.360 kJ/mol + -analytic 55.28905E-1 00E+0 -38.13056E+1 00E+0 00E+0 + +H+ + Pyrophos-4 = H(Pyrophos)-3 + log_k 9.4 #92GRE/FUG + -analytic 94E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + S2O3-2 = H(S2O3)- + log_k 1.72 #04CHI + delta_h 8.253 #kJ/mol +# Enthalpy of formation: -644.033 kJ/mol + -analytic 31.65864E-1 00E+0 -43.10842E+1 00E+0 00E+0 + +H+ + SeO3-2 = H(SeO3)- + log_k 8.36 #05OLI/NOL + delta_h -5.17 #kJ/mol # Enthalpy of formation: -512.330 kJ/mol 05OLI/NOL - -analytic 74.54255E-1 00.00000E+0 27.00479E+1 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000SeO4-2 = H(SeO4)- - log_k +1.75 #05OLI/NOL - delta_h +20.800 #kJ/mol 05OLI/NOL -# Enthalpy of formation: -582.700 kJ/mol - -analytic 53.94004E-1 00.00000E+0 -10.86460E+2 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000SO3-2 = H(SO3)- - log_k +7.17 #85GOL/PAR - delta_h +3.668 #kJ/mol -# Enthalpy of formation: -627.392 kJ/mol - -analytic 78.12606E-1 00.00000E+0 -19.15930E+1 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000SO4-2 = H(SO4)- - log_k +1.98 - delta_h +22.440 #kJ/mol + -analytic 74.54255E-1 00E+0 27.00479E+1 00E+0 00E+0 + +H+ + SeO4-2 = H(SeO4)- + log_k 1.75 #05OLI/NOL + delta_h 20.8 #kJ/mol 05OLI/NOL +# Enthalpy of formation: -582.700 kJ/mol + -analytic 53.94004E-1 00E+0 -10.8646E+2 00E+0 00E+0 + +H+ + SO3-2 = H(SO3)- + log_k 7.17 #85GOL/PAR + delta_h 3.668 #kJ/mol +# Enthalpy of formation: -627.392 kJ/mol + -analytic 78.12606E-1 00E+0 -19.1593E+1 00E+0 00E+0 + +H+ + SO4-2 = H(SO4)- + log_k 1.98 + delta_h 22.44 #kJ/mol # Enthalpy of formation: -886.900 kJ/mol 92GRE/FUG - -analytic 59.11319E-1 00.00000E+0 -11.72123E+2 00.00000E+0 00.00000E+0 + -analytic 59.11319E-1 00E+0 -11.72123E+2 00E+0 00E+0 -+1.000H+ +1.000Suberate-2 = H(Suberate)- - log_k +5.40 #31GAN/ING - -analytic 54.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +H+ + Suberate-2 = H(Suberate)- + log_k 5.4 #31GAN/ING + -analytic 54E-1 00E+0 00E+0 00E+0 00E+0 -+1.000H+ +1.000Succinat-2 = H(Succinat)- - log_k +5.71 #13GRI/CAM - -analytic 57.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +H+ + Succinat-2 = H(Succinat)- + log_k 5.71 #13GRI/CAM + -analytic 57.1E-1 00E+0 00E+0 00E+0 00E+0 -+2.000H+ +1.000Adipate-2 = H2(Adipate) - log_k +9.89 #04MAR/SMI - -analytic 98.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +2 H+ + Adipate-2 = H2(Adipate) + log_k 9.89 #04MAR/SMI + -analytic 98.9E-1 00E+0 00E+0 00E+0 00E+0 --1.000H+ +1.000H3(AsO3) = H2(AsO3)- - log_k -9.22 - delta_h +27.410 #kJ/mol +- H+ + H3(AsO3) = H2(AsO3)- + log_k -9.22 + delta_h 27.41 #kJ/mol # Enthalpy of formation: -714.790 kJ/mol 10RAN/FUG - -analytic -44.17974E-1 00.00000E+0 -14.31724E+2 00.00000E+0 00.00000E+0 + -analytic -44.17974E-1 00E+0 -14.31724E+2 00E+0 00E+0 -+2.000H+ +1.000AsO4-3 = H2(AsO4)- - log_k +18.37 - delta_h -21.420 #kJ/mol +2 H+ + AsO4-3 = H2(AsO4)- + log_k 18.37 + delta_h -21.42 #kJ/mol # Enthalpy of formation: -909.560 kJ/mol 09RAN/FUG - -analytic 14.61738E+0 00.00000E+0 11.18845E+2 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000Cit-3 = H2(Cit)- - log_k +11.14 #05HUM/AND - delta_h +0.900 #kJ/mol 05HUM/AND -# Enthalpy of formation: -1519.020 kJ/mol - -analytic 11.29767E+0 00.00000E+0 -47.01027E+0 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000Edta-4 = H2(Edta)-2 - log_k +18.04 #05HUM/AND - delta_h -35.000 #kJ/mol 05HUM/AND -# Enthalpy of formation: -1739.800 kJ/mol - -analytic 11.90826E+0 00.00000E+0 18.28177E+2 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000Malonate-2 = H2(Malonate) - log_k +8.67 #13GRI/CAM - -analytic 86.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000Nta-3 = H2(Nta)- - log_k +13.20 #95AKR/BOU - -analytic 13.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000Ox-2 = H2(Ox) - log_k +5.65 #05HUM/AND - delta_h +10.600 #kJ/mol 05HUM/AND -# Enthalpy of formation: -820.060 kJ/mol - -analytic 75.07040E-1 00.00000E+0 -55.36766E+1 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000Pyrophos-4 = H2(Pyrophos)-2 - log_k +16.05 #92GRE/FUG - -analytic 16.05000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000S2O3-2 = H2(S2O3) - log_k +2.32 #04CHI - delta_h +22.917 #kJ/mol -# Enthalpy of formation: -629.369 kJ/mol - -analytic 63.34886E-1 00.00000E+0 -11.97038E+2 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000SeO3-2 = H2(SeO3) - log_k +11.00 #05OLI/NOL - delta_h +1.840 #kJ/mol + -analytic 14.61738E+0 00E+0 11.18845E+2 00E+0 00E+0 + +2 H+ + Cit-3 = H2(Cit)- + log_k 11.14 #05HUM/AND + delta_h 0.9 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1519.020 kJ/mol + -analytic 11.29767E+0 00E+0 -47.01027E+0 00E+0 00E+0 + +2 H+ + Edta-4 = H2(Edta)-2 + log_k 18.04 #05HUM/AND + delta_h -35 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1739.800 kJ/mol + -analytic 11.90826E+0 00E+0 18.28177E+2 00E+0 00E+0 + +2 H+ + Malonate-2 = H2(Malonate) + log_k 8.67 #13GRI/CAM + -analytic 86.7E-1 00E+0 00E+0 00E+0 00E+0 + +2 H+ + Nta-3 = H2(Nta)- + log_k 13.2 #95AKR/BOU + -analytic 13.2E+0 00E+0 00E+0 00E+0 00E+0 + +2 H+ + Ox-2 = H2(Ox) + log_k 5.65 #05HUM/AND + delta_h 10.6 #kJ/mol 05HUM/AND +# Enthalpy of formation: -820.060 kJ/mol + -analytic 75.0704E-1 00E+0 -55.36766E+1 00E+0 00E+0 + +2 H+ + Pyrophos-4 = H2(Pyrophos)-2 + log_k 16.05 #92GRE/FUG + -analytic 16.05E+0 00E+0 00E+0 00E+0 00E+0 + +2 H+ + S2O3-2 = H2(S2O3) + log_k 2.32 #04CHI + delta_h 22.917 #kJ/mol +# Enthalpy of formation: -629.369 kJ/mol + -analytic 63.34886E-1 00E+0 -11.97038E+2 00E+0 00E+0 + +2 H+ + SeO3-2 = H2(SeO3) + log_k 11 #05OLI/NOL + delta_h 1.84 #kJ/mol # Enthalpy of formation: -505.320 kJ/mol 05OLI/NOL - -analytic 11.32235E+0 00.00000E+0 -96.10989E+0 00.00000E+0 00.00000E+0 - --2.000H+ +1.000H4(SiO4) = H2(SiO4)-2 - log_k -23.14 #92GRE/FUG - delta_h +75.000 #kJ/mol 92GRE/FUG -# Enthalpy of formation: -1386.194 kJ/mol - -analytic -10.00056E+0 00.00000E+0 -39.17523E+2 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000SO3-2 = H2(SO3) - log_k +9.03 #85GOL/PAR - delta_h +21.453 #kJ/mol -# Enthalpy of formation: -609.607 kJ/mol - -analytic 12.78840E+0 00.00000E+0 -11.20568E+2 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000Suberate-2 = H2(Suberate) - log_k +9.92 #31GAN/ING - -analytic 99.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000Succinat-2 = H2(Succinat) - log_k +9.95 #13GRI/CAM - -analytic 99.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000CrO4-2 = H2CrO4 - log_k +6.32 #76BAE/MES, 04CHI - delta_h +39.596 #kJ/mol -# Enthalpy of formation: -839.404 kJ/mol - -analytic 13.25692E+0 00.00000E+0 -20.68243E+2 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000H2(PO4)- +1.000CrO4-2 -1.000H2O = H2CrPO7- - log_k +9.02 - delta_h -51.490 #kJ/mol + -analytic 11.32235E+0 00E+0 -96.10989E+0 00E+0 00E+0 + +- 2 H+ + H4(SiO4) = H2(SiO4)-2 + log_k -23.14 #92GRE/FUG + delta_h 75 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1386.194 kJ/mol + -analytic -10.00056E+0 00E+0 -39.17523E+2 00E+0 00E+0 + +2 H+ + SO3-2 = H2(SO3) + log_k 9.03 #85GOL/PAR + delta_h 21.453 #kJ/mol +# Enthalpy of formation: -609.607 kJ/mol + -analytic 12.7884E+0 00E+0 -11.20568E+2 00E+0 00E+0 + +2 H+ + Suberate-2 = H2(Suberate) + log_k 9.92 #31GAN/ING + -analytic 99.2E-1 00E+0 00E+0 00E+0 00E+0 + +2 H+ + Succinat-2 = H2(Succinat) + log_k 9.95 #13GRI/CAM + -analytic 99.5E-1 00E+0 00E+0 00E+0 00E+0 + +2 H+ + CrO4-2 = H2CrO4 + log_k 6.32 #76BAE/MES, 04CHI + delta_h 39.596 #kJ/mol +# Enthalpy of formation: -839.404 kJ/mol + -analytic 13.25692E+0 00E+0 -20.68243E+2 00E+0 00E+0 + +2 H+ + H2(PO4)- + CrO4-2 - H2O = H2CrPO7- + log_k 9.02 + delta_h -51.49 #kJ/mol # Enthalpy of formation: -1947.260 kJ/mol 76DEL/HAL - -analytic -66.07802E-5 00.00000E+0 26.89510E+2 00.00000E+0 00.00000E+0 + -analytic -66.07802E-5 00E+0 26.8951E+2 00E+0 00E+0 -+1.000H+ +1.000HGlu- = H2Glu - log_k +3.90 #98ZUB/CAS - -analytic 39.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +H+ + HGlu- = H2Glu + log_k 3.9 #98ZUB/CAS + -analytic 39E-1 00E+0 00E+0 00E+0 00E+0 -+1.000H+ +1.000HIsa- = H2Isa - log_k +4.00 #05HUM/AND - -analytic 40.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +H+ + HIsa- = H2Isa + log_k 4 #05HUM/AND + -analytic 40E-1 00E+0 00E+0 00E+0 00E+0 -+2.000H+ +1.000MoO4-2 = H2MoO4 - log_k +8.15 #68SAS/SIL, 64AVE/ANA; - -analytic 81.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +2 H+ + MoO4-2 = H2MoO4 + log_k 8.15 #68SAS/SIL, 64AVE/ANA + -analytic 81.5E-1 00E+0 00E+0 00E+0 00E+0 -+2.000H+ +1.000Phthalat-2 = H2Phthalat - log_k +8.32 #10RIC/SAB1 - -analytic 83.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +2 H+ + Phthalat-2 = H2Phthalat + log_k 8.32 #10RIC/SAB1 + -analytic 83.2E-1 00E+0 00E+0 00E+0 00E+0 -+1.000H+ +1.000HS- = H2S - log_k +6.99 - delta_h -22.300 #kJ/mol +H+ + HS- = H2S + log_k 6.99 + delta_h -22.3 #kJ/mol # Enthalpy of formation: -38.600 kJ/mol 89COX/WAG - -analytic 30.83208E-1 00.00000E+0 11.64810E+2 00.00000E+0 00.00000E+0 + -analytic 30.83208E-1 00E+0 11.6481E+2 00E+0 00E+0 -+2.000H+ +1.000S2O4-2 = H2S2O4 - log_k +2.80 #04CHI - delta_h +20.193 #kJ/mol -# Enthalpy of formation: -733.307 kJ/mol - -analytic 63.37662E-1 00.00000E+0 -10.54754E+2 00.00000E+0 00.00000E+0 +2 H+ + S2O4-2 = H2S2O4 + log_k 2.8 #04CHI + delta_h 20.193 #kJ/mol +# Enthalpy of formation: -733.307 kJ/mol + -analytic 63.37662E-1 00E+0 -10.54754E+2 00E+0 00E+0 -+1.000H+ +1.000HSe- = H2Se - log_k +3.85 - delta_h +0.000 #kJ/mol +H+ + HSe- = H2Se + log_k 3.85 + delta_h 0 #kJ/mol # Enthalpy of formation: +14.300 kJ/mol 05OLI/NOL - -analytic 38.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 38.5E-1 00E+0 00E+0 00E+0 00E+0 -+3.000H+ +1.000AsO4-3 = H3(AsO4) - log_k +20.63 - delta_h -14.360 #kJ/mol +3 H+ + AsO4-3 = H3(AsO4) + log_k 20.63 + delta_h -14.36 #kJ/mol # Enthalpy of formation: -902.500 kJ/mol 09RAN/FUG - -analytic 18.11424E+0 00.00000E+0 75.00750E+1 00.00000E+0 00.00000E+0 - -+3.000H+ +1.000Cit-3 = H3(Cit) - log_k +14.27 #05HUM/AND - delta_h -3.600 #kJ/mol 05HUM/AND -# Enthalpy of formation: -1523.520 kJ/mol - -analytic 13.63931E+0 00.00000E+0 18.80411E+1 00.00000E+0 00.00000E+0 - -+3.000H+ +1.000Edta-4 = H3(Edta)- - log_k +21.19 #05HUM/AND - delta_h -27.900 #kJ/mol 05HUM/AND -# Enthalpy of formation: -1732.700 kJ/mol - -analytic 16.30213E+0 00.00000E+0 14.57318E+2 00.00000E+0 00.00000E+0 - -+3.000H+ +1.000Nta-3 = H3(Nta) - log_k +15.33 #95AKR/BOU - -analytic 15.33000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000H2(PO4)- = H3(PO4) - log_k +2.14 #92GRE/FUG - delta_h +8.480 #kJ/mol 92GRE/FUG -# Enthalpy of formation: -1294.120 kJ/mol - -analytic 36.25632E-1 00.00000E+0 -44.29412E+1 00.00000E+0 00.00000E+0 - -+3.000H+ +1.000Pyrophos-4 = H3(Pyrophos)- - log_k +18.30 #92GRE/FUG - -analytic 18.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000H4(SiO4) = H3(SiO4)- - log_k -9.84 #06BLA/PIA; Uncertainty to include available data. - delta_h +29.363 #kJ/mol -# Enthalpy of formation: -1431.831 kJ/mol - -analytic -46.95823E-1 00.00000E+0 -15.33736E+2 00.00000E+0 00.00000E+0 - -+4.000H+ +1.000Edta-4 = H4(Edta) - log_k +23.42 #05HUM/AND - delta_h -26.000 #kJ/mol 05HUM/AND -# Enthalpy of formation: -1730.800 kJ/mol - -analytic 18.86500E+0 00.00000E+0 13.58075E+2 00.00000E+0 00.00000E+0 - -+4.000H+ +1.000Nta-3 = H4(Nta)+ - log_k +16.13 #95AKR/BOU - -analytic 16.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+4.000H+ +1.000Pyrophos-4 = H4(Pyrophos) - log_k +19.30 #92GRE/FUG + -analytic 18.11424E+0 00E+0 75.0075E+1 00E+0 00E+0 + +3 H+ + Cit-3 = H3(Cit) + log_k 14.27 #05HUM/AND + delta_h -3.6 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1523.520 kJ/mol + -analytic 13.63931E+0 00E+0 18.80411E+1 00E+0 00E+0 + +3 H+ + Edta-4 = H3(Edta)- + log_k 21.19 #05HUM/AND + delta_h -27.9 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1732.700 kJ/mol + -analytic 16.30213E+0 00E+0 14.57318E+2 00E+0 00E+0 + +3 H+ + Nta-3 = H3(Nta) + log_k 15.33 #95AKR/BOU + -analytic 15.33E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + H2(PO4)- = H3(PO4) + log_k 2.14 #92GRE/FUG + delta_h 8.48 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1294.120 kJ/mol + -analytic 36.25632E-1 00E+0 -44.29412E+1 00E+0 00E+0 + +3 H+ + Pyrophos-4 = H3(Pyrophos)- + log_k 18.3 #92GRE/FUG + -analytic 18.3E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + H4(SiO4) = H3(SiO4)- + log_k -9.84 #06BLA/PIA; Uncertainty to include available data. + delta_h 29.363 #kJ/mol +# Enthalpy of formation: -1431.831 kJ/mol + -analytic -46.95823E-1 00E+0 -15.33736E+2 00E+0 00E+0 + +4 H+ + Edta-4 = H4(Edta) + log_k 23.42 #05HUM/AND + delta_h -26 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1730.800 kJ/mol + -analytic 18.865E+0 00E+0 13.58075E+2 00E+0 00E+0 + +4 H+ + Nta-3 = H4(Nta)+ + log_k 16.13 #95AKR/BOU + -analytic 16.13E+0 00E+0 00E+0 00E+0 00E+0 + +4 H+ + Pyrophos-4 = H4(Pyrophos) + log_k 19.3 #92GRE/FUG # Enthalpy of formation: -2280.210 kJ/mol 92GRE/FUG - -analytic 19.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 19.3E+0 00E+0 00E+0 00E+0 00E+0 -+5.000H+ +1.000Edta-4 = H5(Edta)+ - log_k +24.72 #05HUM/AND - -analytic 24.72000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +5 H+ + Edta-4 = H5(Edta)+ + log_k 24.72 #05HUM/AND + -analytic 24.72E+0 00E+0 00E+0 00E+0 00E+0 -+6.000H+ +1.000Edta-4 = H6(Edta)+2 - log_k +24.22 #05HUM/AND - -analytic 24.22000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +6 H+ + Edta-4 = H6(Edta)+2 + log_k 24.22 #05HUM/AND + -analytic 24.22E+0 00E+0 00E+0 00E+0 00E+0 -+1.000H+ +1.000Acetate- = HAcetate - log_k +4.76 - delta_h +0.250 #kJ/mol +H+ + Acetate- = HAcetate + log_k 4.76 + delta_h 0.25 #kJ/mol # Enthalpy of formation: -485.760 kJ/mol 82WAG/EVA - -analytic 48.03798E-1 00.00000E+0 -13.05841E+0 00.00000E+0 00.00000E+0 + -analytic 48.03798E-1 00E+0 -13.05841E+0 00E+0 00E+0 -+1.000H+ +2.000B(OH)4- -4.000H2O = HB2O4- - log_k +9.17 #97CRO - -analytic 91.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +H+ + 2 B(OH)4- - 4 H2O = HB2O4- + log_k 9.17 #97CRO + -analytic 91.7E-1 00E+0 00E+0 00E+0 00E+0 -+1.000H+ +1.000CO3-2 = HCO3- - log_k +10.33 - delta_h -14.700 #kJ/mol +H+ + CO3-2 = HCO3- + log_k 10.33 + delta_h -14.7 #kJ/mol # Enthalpy of formation: -689.930 kJ/mol 89COX/WAG - -analytic 77.54671E-1 00.00000E+0 76.78345E+1 00.00000E+0 00.00000E+0 + -analytic 77.54671E-1 00E+0 76.78345E+1 00E+0 00E+0 -+1.000H+ +1.000CrO4-2 = HCrO4- - log_k +6.52 #87PAL/WES, 04CHI - delta_h +6.016 #kJ/mol -# Enthalpy of formation: -872.985 kJ/mol - -analytic 75.73958E-1 00.00000E+0 -31.42376E+1 00.00000E+0 00.00000E+0 +H+ + CrO4-2 = HCrO4- + log_k 6.52 #87PAL/WES, 04CHI + delta_h 6.016 #kJ/mol +# Enthalpy of formation: -872.985 kJ/mol + -analytic 75.73958E-1 00E+0 -31.42376E+1 00E+0 00E+0 -+1.000H+ +1.000H2(PO4)- +1.000CrO4-2 -1.000H2O = HCrPO7-2 - log_k +6.37 - delta_h -36.390 #kJ/mol +H+ + H2(PO4)- + CrO4-2 - H2O = HCrPO7-2 + log_k 6.37 + delta_h -36.39 #kJ/mol # Enthalpy of formation: -1932.160 kJ/mol 76DEL/HEP - -analytic -52.54337E-4 00.00000E+0 19.00782E+2 00.00000E+0 00.00000E+0 + -analytic -52.54337E-4 00E+0 19.00782E+2 00E+0 00E+0 -+4.000CO3-2 +1.000Hf+4 = Hf(CO3)4-4 - log_k +42.90 #analogy with Zr - -analytic 42.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +4 CO3-2 + Hf+4 = Hf(CO3)4-4 + log_k 42.9 #analogy with Zr + -analytic 42.9E+0 00E+0 00E+0 00E+0 00E+0 -+2.000NO3- +1.000Hf+4 = Hf(NO3)2+2 - log_k +2.49 #65DES/KHO recalculated; Uncertainty to include available data. - -analytic 24.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +2 NO3- + Hf+4 = Hf(NO3)2+2 + log_k 2.49 #65DES/KHO recalculated; Uncertainty to include available data. + -analytic 24.9E-1 00E+0 00E+0 00E+0 00E+0 --1.000H+ +1.000Hf+4 +1.000H2O = Hf(OH)+3 - log_k -0.20 #01RAI/XIA; Uncertainty to include available data. - -analytic -20.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +- H+ + Hf+4 + H2O = Hf(OH)+3 + log_k -0.2 #01RAI/XIA; Uncertainty to include available data. + -analytic -20E-2 00E+0 00E+0 00E+0 00E+0 --4.000H+ +1.000Hf+4 +4.000H2O = Hf(OH)4 - log_k -11.20 #01RAI/XIA; Uncertainty to include available data. - -analytic -11.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +- 4 H+ + Hf+4 + 4 H2O = Hf(OH)4 + log_k -11.2 #01RAI/XIA; Uncertainty to include available data. + -analytic -11.2E+0 00E+0 00E+0 00E+0 00E+0 --5.000H+ +1.000Hf+4 +5.000H2O = Hf(OH)5- - log_k -20.30 #01RAI/XIA - -analytic -20.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +- 5 H+ + Hf+4 + 5 H2O = Hf(OH)5- + log_k -20.3 #01RAI/XIA + -analytic -20.3E+0 00E+0 00E+0 00E+0 00E+0 --6.000H+ +1.000Hf+4 +6.000H2O = Hf(OH)6-2 - log_k -32.80 #01RAI/XIA - -analytic -32.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +- 6 H+ + Hf+4 + 6 H2O = Hf(OH)6-2 + log_k -32.8 #01RAI/XIA + -analytic -32.8E+0 00E+0 00E+0 00E+0 00E+0 -+2.000SO4-2 +1.000Hf+4 = Hf(SO4)2 - log_k +10.11 #65DES/KHO recalculated;Uncertainty to include available data. - -analytic 10.11000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Br- +1.000Hf+4 = HfBr+3 - log_k +0.38 #67HAL/POH recalculated - -analytic 38.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cl- +1.000Hf+4 = HfCl+3 - log_k +2.20 #65DES/KHO and others recalculated - -analytic 22.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Cl- +1.000Hf+4 = HfCl2+2 - log_k +2.05 #65DES/KHO and others recalculated; Uncertainty to include available data. - -analytic 20.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000F- +1.000Hf+4 = HfF+3 - log_k +9.29 #05SAW/THA and others recalculated - -analytic 92.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000F- +1.000Hf+4 = HfF2+2 - log_k +17.85 #05SAW/THA and others recalculated - -analytic 17.85000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+3.000F- +1.000Hf+4 = HfF3+ - log_k +25.08 #05SAW/THA and others recalculated - -analytic 25.08000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+4.000F- +1.000Hf+4 = HfF4 - log_k +31.41 #05SAW/THA and others recalculated - -analytic 31.41000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000I- +1.000Hf+4 = HfI+3 - log_k +0.02 #67HAL/POH recalculated - -analytic 20.00000E-3 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NO3- +1.000Hf+4 = HfNO3+3 - log_k +1.85 #65DES/KHO 69HAL/SMO recalculated; Uncertainty to include available data. - -analytic 18.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000SO4-2 +1.000Hf+4 = HfSO4+2 - log_k +6.06 #65DES/KHO recalculated; Uncertainty to include available data. - -analytic 60.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000CO3-2 +1.000Hg+2 = Hg(CO3) - log_k +11.47 #05POW/BRO - -analytic 11.47000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000CO3-2 +1.000Hg+2 = Hg(HCO3)+ - log_k +15.80 #05POW/BRO - -analytic 15.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000HS- +1.000Hg+2 = Hg(HS)+ - log_k +30.50 #99BEN/GIL - -analytic 30.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000HS- +1.000Hg+2 = Hg(HS)2 - log_k +37.50 #99BEN/GIL - -analytic 37.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000H2O +1.000Hg+2 = Hg(OH)+ - log_k -3.40 #05POW/BRO - -analytic -34.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +2.000H2O +1.000Hg+2 = Hg(OH)2 - log_k -5.98 #05POW/BRO - delta_h +51.500 #kJ/mol 05POW/BRO -# Enthalpy of formation: -349.950 kJ/mol - -analytic 30.42413E-1 00.00000E+0 -26.90032E+2 00.00000E+0 00.00000E+0 - --3.000H+ +3.000H2O +1.000Hg+2 = Hg(OH)3- - log_k -21.10 #05POW/BRO - -analytic -21.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000Cl- +1.000H2O +1.000Hg+2 = Hg(OH)Cl - log_k +4.27 #05POW/BRO - -analytic 42.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000CO3-2 +1.000H2O +1.000Hg+2 = Hg(OH)CO3- - log_k +5.33 #05POW/BRO - -analytic 53.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000H2O +1.000Hg2+2 = Hg2(OH)+ - log_k -5.00 #76BAE/MES - -analytic -50.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000H2O +2.000Hg+2 = Hg2(OH)+3 - log_k -3.33 #76BAE/MES - -analytic -33.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --3.000H+ +3.000H2O +3.000Hg+2 = Hg3(OH)3+3 - log_k -6.42 #76BAE/MES - -analytic -64.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Cl- +1.000Hg+2 = HgCl+ - log_k +7.31 #05POW/BRO - delta_h -21.300 #kJ/mol 05POW/BRO -# Enthalpy of formation: -18.170 kJ/mol - -analytic 35.78400E-1 00.00000E+0 11.12576E+2 00.00000E+0 00.00000E+0 - -+2.000Cl- +1.000Hg+2 = HgCl2 - log_k +14.00 #05POW/BRO - delta_h -49.100 #kJ/mol 05POW/BRO -# Enthalpy of formation: -213.050 kJ/mol - -analytic 53.98049E-1 00.00000E+0 25.64672E+2 00.00000E+0 00.00000E+0 - -+3.000Cl- +1.000Hg+2 = HgCl3- - log_k +14.93 #05POW/BRO - delta_h -48.600 #kJ/mol 05POW/BRO -# Enthalpy of formation: -379.630 kJ/mol - -analytic 64.15645E-1 00.00000E+0 25.38555E+2 00.00000E+0 00.00000E+0 - -+4.000Cl- +1.000Hg+2 = HgCl4-2 - log_k +15.54 #05POW/BRO - delta_h -59.100 #kJ/mol 05POW/BRO -# Enthalpy of formation: -557.210 kJ/mol - -analytic 51.86124E-1 00.00000E+0 30.87008E+2 00.00000E+0 00.00000E+0 - --1.000H+ +1.000H2(PO4)- +1.000Hg+2 = HgHPO4 - log_k +2.86 #05POW/BRO - -analytic 28.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +1.000H2(PO4)- +1.000Hg+2 = HgPO4- - log_k -2.63 #05POW/BRO - -analytic -26.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000HS- +1.000Hg+2 = HgS - log_k +26.50 #99BEN/GIL - -analytic 26.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +2.000HS- +1.000Hg+2 = HgS(HS)- - log_k +32.00 #99BEN/GIL - -analytic 32.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +2.000HS- +1.000Hg+2 = HgS2-2 - log_k +23.50 #99BEN/GIL - -analytic 23.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000SO4-2 +1.000Hg+2 = HgSO4 - log_k +2.68 #05POW/BRO - -analytic 26.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000MoO4-2 = HMoO4- - log_k +4.11 #68SAS/SIL, 64AVE/ANA - delta_h +58.576 #kJ/mol 68ARN/SZI in 76BAE/MES -# Enthalpy of formation: -938.424 kJ/mol - -analytic 14.37207E+0 00.00000E+0 -30.59638E+2 00.00000E+0 00.00000E+0 - -+1.000Ho+3 +1.000CO3-2 = Ho(CO3)+ - log_k +8.00 #95SPA/BRU - delta_h -55.444 #kJ/mol -# Enthalpy of formation: -1437.717 kJ/mol - -analytic -17.13372E-1 00.00000E+0 28.96042E+2 00.00000E+0 00.00000E+0 - -+1.000Ho+3 +2.000CO3-2 = Ho(CO3)2- - log_k +13.30 #95SPA/BRU - -analytic 13.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ho+3 +3.000CO3-2 = Ho(CO3)3-3 - log_k +14.80 #05VER/VIT2 - -analytic 14.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ho+3 +1.000H2(PO4)- = Ho(H2PO4)+2 - log_k +2.30 #95SPA/BRU - -analytic 23.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000Ho+3 +1.000CO3-2 = Ho(HCO3)+2 - log_k +12.50 #95SPA/BRU - -analytic 12.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000Ho+3 +1.000H2(PO4)- = Ho(HPO4)+ - log_k -1.41 #95SPA/BRU - -analytic -14.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +1.000Ho+3 +2.000H2(PO4)- = Ho(HPO4)2- - log_k -4.52 #95SPA/BRU - -analytic -45.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ho+3 +1.000NO3- = Ho(NO3)+2 - log_k +0.50 #95SPA/BRU - -analytic 50.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000Ho+3 +1.000H2O = Ho(OH)+2 - log_k -7.90 #95SPA/BRU - delta_h +53.296 #kJ/mol -# Enthalpy of formation: -939.576 kJ/mol - -analytic 14.37058E-1 00.00000E+0 -27.83844E+2 00.00000E+0 00.00000E+0 - --2.000H+ +1.000Ho+3 +2.000H2O = Ho(OH)2+ - log_k -15.70 #07NEC/ALT2 - delta_h +105.862 #kJ/mol -# Enthalpy of formation: -1172.840 kJ/mol - -analytic 28.46226E-1 00.00000E+0 -55.29557E+2 00.00000E+0 00.00000E+0 - --3.000H+ +1.000Ho+3 +3.000H2O = Ho(OH)3 - log_k -26.20 #07NEC/ALT2 - delta_h +164.617 #kJ/mol -# Enthalpy of formation: -1399.915 kJ/mol - -analytic 26.39660E-1 00.00000E+0 -85.98545E+2 00.00000E+0 00.00000E+0 - --4.000H+ +1.000Ho+3 +4.000H2O = Ho(OH)4- - log_k -40.70 #07NEC/ALT2 - delta_h +236.939 #kJ/mol -# Enthalpy of formation: -1613.422 kJ/mol - -analytic 80.99309E-2 00.00000E+0 -12.37619E+3 00.00000E+0 00.00000E+0 - --2.000H+ +1.000Ho+3 +1.000H2(PO4)- = Ho(PO4) - log_k -6.96 #95SPA/BRU - -analytic -69.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --4.000H+ +1.000Ho+3 +2.000H2(PO4)- = Ho(PO4)2-3 - log_k -17.82 #95SPA/BRU - -analytic -17.82000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ho+3 +1.000SO4-2 = Ho(SO4)+ - log_k +3.40 #95SPA/BRU - delta_h +15.384 #kJ/mol -# Enthalpy of formation: -1600.998 kJ/mol - -analytic 60.95161E-1 00.00000E+0 -80.35623E+1 00.00000E+0 00.00000E+0 - -+1.000Ho+3 +2.000SO4-2 = Ho(SO4)2- - log_k +4.90 #95SPA/BRU - delta_h +23.668 #kJ/mol -# Enthalpy of formation: -2502.054 kJ/mol - -analytic 90.46456E-1 00.00000E+0 -12.36266E+2 00.00000E+0 00.00000E+0 - -+1.000Ho+3 +1.000Cl- = HoCl+2 - log_k +0.74 #Original data from 01LUO/BYR and 04LUO/BYR - delta_h +7.959 #kJ/mol -# Enthalpy of formation: -866.163 kJ/mol - -analytic 21.34357E-1 00.00000E+0 -41.57275E+1 00.00000E+0 00.00000E+0 - -+1.000Ho+3 +2.000Cl- = HoCl2+ - log_k -0.29 #81TUR/WHI - delta_h +25.862 #kJ/mol -# Enthalpy of formation: -1015.340 kJ/mol - -analytic 42.40828E-1 00.00000E+0 -13.50866E+2 00.00000E+0 00.00000E+0 - -+1.000Ho+3 +1.000F- = HoF+2 - log_k +4.33 #07LUO/BYR - delta_h +10.020 #kJ/mol 04LUO/MIL -# Enthalpy of formation: -1032.372 kJ/mol - -analytic 60.85429E-1 00.00000E+0 -52.33811E+1 00.00000E+0 00.00000E+0 - -+1.000Ho+3 +2.000F- = HoF2+ - log_k +6.52 #Original data from 99SCH/BYR and 04LUO/BYR - delta_h +21.110 #kJ/mol 04LUO/MIL -# Enthalpy of formation: -1356.632 kJ/mol - -analytic 10.21831E+0 00.00000E+0 -11.02652E+2 00.00000E+0 00.00000E+0 - --1.000H+ +1.000Ho+3 +1.000H4(SiO4) = HoSiO(OH)3+2 - log_k -2.62 #Original data from 07THA/SIN and 96JEN/CHO1 - -analytic -26.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000Phthalat-2 = HPhthalat- - log_k +5.34 #10RIC/SAB1 - -analytic 53.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000H2(PO4)- = HPO4-2 - log_k -7.21 - delta_h +3.600 #kJ/mol +2 SO4-2 + Hf+4 = Hf(SO4)2 + log_k 10.11 #65DES/KHO recalculated;Uncertainty to include available data. + -analytic 10.11E+0 00E+0 00E+0 00E+0 00E+0 + +Br- + Hf+4 = HfBr+3 + log_k 0.38 #67HAL/POH recalculated + -analytic 38E-2 00E+0 00E+0 00E+0 00E+0 + +Cl- + Hf+4 = HfCl+3 + log_k 2.2 #65DES/KHO and others recalculated + -analytic 22E-1 00E+0 00E+0 00E+0 00E+0 + +2 Cl- + Hf+4 = HfCl2+2 + log_k 2.05 #65DES/KHO and others recalculated; Uncertainty to include available data. + -analytic 20.5E-1 00E+0 00E+0 00E+0 00E+0 + +F- + Hf+4 = HfF+3 + log_k 9.29 #05SAW/THA and others recalculated + -analytic 92.9E-1 00E+0 00E+0 00E+0 00E+0 + +2 F- + Hf+4 = HfF2+2 + log_k 17.85 #05SAW/THA and others recalculated + -analytic 17.85E+0 00E+0 00E+0 00E+0 00E+0 + +3 F- + Hf+4 = HfF3+ + log_k 25.08 #05SAW/THA and others recalculated + -analytic 25.08E+0 00E+0 00E+0 00E+0 00E+0 + +4 F- + Hf+4 = HfF4 + log_k 31.41 #05SAW/THA and others recalculated + -analytic 31.41E+0 00E+0 00E+0 00E+0 00E+0 + +I- + Hf+4 = HfI+3 + log_k 0.02 #67HAL/POH recalculated + -analytic 20E-3 00E+0 00E+0 00E+0 00E+0 + +NO3- + Hf+4 = HfNO3+3 + log_k 1.85 #65DES/KHO 69HAL/SMO recalculated; Uncertainty to include available data. + -analytic 18.5E-1 00E+0 00E+0 00E+0 00E+0 + +SO4-2 + Hf+4 = HfSO4+2 + log_k 6.06 #65DES/KHO recalculated; Uncertainty to include available data. + -analytic 60.6E-1 00E+0 00E+0 00E+0 00E+0 + +CO3-2 + Hg+2 = Hg(CO3) + log_k 11.47 #05POW/BRO + -analytic 11.47E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + CO3-2 + Hg+2 = Hg(HCO3)+ + log_k 15.8 #05POW/BRO + -analytic 15.8E+0 00E+0 00E+0 00E+0 00E+0 + +HS- + Hg+2 = Hg(HS)+ + log_k 30.5 #99BEN/GIL + -analytic 30.5E+0 00E+0 00E+0 00E+0 00E+0 + +2 HS- + Hg+2 = Hg(HS)2 + log_k 37.5 #99BEN/GIL + -analytic 37.5E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + H2O + Hg+2 = Hg(OH)+ + log_k -3.4 #05POW/BRO + -analytic -34E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + 2 H2O + Hg+2 = Hg(OH)2 + log_k -5.98 #05POW/BRO + delta_h 51.5 #kJ/mol 05POW/BRO +# Enthalpy of formation: -349.950 kJ/mol + -analytic 30.42413E-1 00E+0 -26.90032E+2 00E+0 00E+0 + +- 3 H+ + 3 H2O + Hg+2 = Hg(OH)3- + log_k -21.1 #05POW/BRO + -analytic -21.1E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + Cl- + H2O + Hg+2 = Hg(OH)Cl + log_k 4.27 #05POW/BRO + -analytic 42.7E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + CO3-2 + H2O + Hg+2 = Hg(OH)CO3- + log_k 5.33 #05POW/BRO + -analytic 53.3E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + H2O + Hg2+2 = Hg2(OH)+ + log_k -5 #76BAE/MES + -analytic -50E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + H2O + 2 Hg+2 = Hg2(OH)+3 + log_k -3.33 #76BAE/MES + -analytic -33.3E-1 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ + 3 H2O + 3 Hg+2 = Hg3(OH)3+3 + log_k -6.42 #76BAE/MES + -analytic -64.2E-1 00E+0 00E+0 00E+0 00E+0 + +Cl- + Hg+2 = HgCl+ + log_k 7.31 #05POW/BRO + delta_h -21.3 #kJ/mol 05POW/BRO +# Enthalpy of formation: -18.170 kJ/mol + -analytic 35.784E-1 00E+0 11.12576E+2 00E+0 00E+0 + +2 Cl- + Hg+2 = HgCl2 + log_k 14 #05POW/BRO + delta_h -49.1 #kJ/mol 05POW/BRO +# Enthalpy of formation: -213.050 kJ/mol + -analytic 53.98049E-1 00E+0 25.64672E+2 00E+0 00E+0 + +3 Cl- + Hg+2 = HgCl3- + log_k 14.93 #05POW/BRO + delta_h -48.6 #kJ/mol 05POW/BRO +# Enthalpy of formation: -379.630 kJ/mol + -analytic 64.15645E-1 00E+0 25.38555E+2 00E+0 00E+0 + +4 Cl- + Hg+2 = HgCl4-2 + log_k 15.54 #05POW/BRO + delta_h -59.1 #kJ/mol 05POW/BRO +# Enthalpy of formation: -557.210 kJ/mol + -analytic 51.86124E-1 00E+0 30.87008E+2 00E+0 00E+0 + +- H+ + H2(PO4)- + Hg+2 = HgHPO4 + log_k 2.86 #05POW/BRO + -analytic 28.6E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + H2(PO4)- + Hg+2 = HgPO4- + log_k -2.63 #05POW/BRO + -analytic -26.3E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + HS- + Hg+2 = HgS + log_k 26.5 #99BEN/GIL + -analytic 26.5E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + 2 HS- + Hg+2 = HgS(HS)- + log_k 32 #99BEN/GIL + -analytic 32E+0 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + 2 HS- + Hg+2 = HgS2-2 + log_k 23.5 #99BEN/GIL + -analytic 23.5E+0 00E+0 00E+0 00E+0 00E+0 + +SO4-2 + Hg+2 = HgSO4 + log_k 2.68 #05POW/BRO + -analytic 26.8E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + MoO4-2 = HMoO4- + log_k 4.11 #68SAS/SIL, 64AVE/ANA + delta_h 58.576 #kJ/mol 68ARN/SZI in 76BAE/MES +# Enthalpy of formation: -938.424 kJ/mol + -analytic 14.37207E+0 00E+0 -30.59638E+2 00E+0 00E+0 + +Ho+3 + CO3-2 = Ho(CO3)+ + log_k 8 #95SPA/BRU + delta_h -55.444 #kJ/mol +# Enthalpy of formation: -1437.717 kJ/mol + -analytic -17.13372E-1 00E+0 28.96042E+2 00E+0 00E+0 + +Ho+3 + 2 CO3-2 = Ho(CO3)2- + log_k 13.3 #95SPA/BRU + -analytic 13.3E+0 00E+0 00E+0 00E+0 00E+0 + +Ho+3 + 3 CO3-2 = Ho(CO3)3-3 + log_k 14.8 #05VER/VIT2 + -analytic 14.8E+0 00E+0 00E+0 00E+0 00E+0 + +Ho+3 + H2(PO4)- = Ho(H2PO4)+2 + log_k 2.3 #95SPA/BRU + -analytic 23E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + Ho+3 + CO3-2 = Ho(HCO3)+2 + log_k 12.5 #95SPA/BRU + -analytic 12.5E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + Ho+3 + H2(PO4)- = Ho(HPO4)+ + log_k -1.41 #95SPA/BRU + -analytic -14.1E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + Ho+3 + 2 H2(PO4)- = Ho(HPO4)2- + log_k -4.52 #95SPA/BRU + -analytic -45.2E-1 00E+0 00E+0 00E+0 00E+0 + +Ho+3 + NO3- = Ho(NO3)+2 + log_k 0.5 #95SPA/BRU + -analytic 50E-2 00E+0 00E+0 00E+0 00E+0 + +- H+ + Ho+3 + H2O = Ho(OH)+2 + log_k -7.9 #95SPA/BRU + delta_h 53.296 #kJ/mol +# Enthalpy of formation: -939.576 kJ/mol + -analytic 14.37058E-1 00E+0 -27.83844E+2 00E+0 00E+0 + +- 2 H+ + Ho+3 + 2 H2O = Ho(OH)2+ + log_k -15.7 #07NEC/ALT2 + delta_h 105.862 #kJ/mol +# Enthalpy of formation: -1172.840 kJ/mol + -analytic 28.46226E-1 00E+0 -55.29557E+2 00E+0 00E+0 + +- 3 H+ + Ho+3 + 3 H2O = Ho(OH)3 + log_k -26.2 #07NEC/ALT2 + delta_h 164.617 #kJ/mol +# Enthalpy of formation: -1399.915 kJ/mol + -analytic 26.3966E-1 00E+0 -85.98545E+2 00E+0 00E+0 + +- 4 H+ + Ho+3 + 4 H2O = Ho(OH)4- + log_k -40.7 #07NEC/ALT2 + delta_h 236.939 #kJ/mol +# Enthalpy of formation: -1613.422 kJ/mol + -analytic 80.99309E-2 00E+0 -12.37619E+3 00E+0 00E+0 + +- 2 H+ + Ho+3 + H2(PO4)- = Ho(PO4) + log_k -6.96 #95SPA/BRU + -analytic -69.6E-1 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + Ho+3 + 2 H2(PO4)- = Ho(PO4)2-3 + log_k -17.82 #95SPA/BRU + -analytic -17.82E+0 00E+0 00E+0 00E+0 00E+0 + +Ho+3 + SO4-2 = Ho(SO4)+ + log_k 3.4 #95SPA/BRU + delta_h 15.384 #kJ/mol +# Enthalpy of formation: -1600.998 kJ/mol + -analytic 60.95161E-1 00E+0 -80.35623E+1 00E+0 00E+0 + +Ho+3 + 2 SO4-2 = Ho(SO4)2- + log_k 4.9 #95SPA/BRU + delta_h 23.668 #kJ/mol +# Enthalpy of formation: -2502.054 kJ/mol + -analytic 90.46456E-1 00E+0 -12.36266E+2 00E+0 00E+0 + +Ho+3 + Cl- = HoCl+2 + log_k 0.74 #Original data from 01LUO/BYR and 04LUO/BYR + delta_h 7.959 #kJ/mol +# Enthalpy of formation: -866.163 kJ/mol + -analytic 21.34357E-1 00E+0 -41.57275E+1 00E+0 00E+0 + +Ho+3 + 2 Cl- = HoCl2+ + log_k -0.29 #81TUR/WHI + delta_h 25.862 #kJ/mol +# Enthalpy of formation: -1015.340 kJ/mol + -analytic 42.40828E-1 00E+0 -13.50866E+2 00E+0 00E+0 + +Ho+3 + F- = HoF+2 + log_k 4.33 #07LUO/BYR + delta_h 10.02 #kJ/mol 04LUO/MIL +# Enthalpy of formation: -1032.372 kJ/mol + -analytic 60.85429E-1 00E+0 -52.33811E+1 00E+0 00E+0 + +Ho+3 + 2 F- = HoF2+ + log_k 6.52 #Original data from 99SCH/BYR and 04LUO/BYR + delta_h 21.11 #kJ/mol 04LUO/MIL +# Enthalpy of formation: -1356.632 kJ/mol + -analytic 10.21831E+0 00E+0 -11.02652E+2 00E+0 00E+0 + +- H+ + Ho+3 + H4(SiO4) = HoSiO(OH)3+2 + log_k -2.62 #Original data from 07THA/SIN and 96JEN/CHO1 + -analytic -26.2E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + Phthalat-2 = HPhthalat- + log_k 5.34 #10RIC/SAB1 + -analytic 53.4E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + H2(PO4)- = HPO4-2 + log_k -7.21 + delta_h 3.6 #kJ/mol # Enthalpy of formation: -1299.000 kJ/mol 89COX/WAG - -analytic -65.79307E-1 00.00000E+0 -18.80411E+1 00.00000E+0 00.00000E+0 + -analytic -65.79307E-1 00E+0 -18.80411E+1 00E+0 00E+0 -+1.000H+ +1.000S2O4-2 = HS2O4- - log_k +2.50 #04CHI - delta_h +3.818 #kJ/mol -# Enthalpy of formation: -749.683 kJ/mol - -analytic 31.68885E-1 00.00000E+0 -19.94280E+1 00.00000E+0 00.00000E+0 +H+ + S2O4-2 = HS2O4- + log_k 2.5 #04CHI + delta_h 3.818 #kJ/mol +# Enthalpy of formation: -749.683 kJ/mol + -analytic 31.68885E-1 00E+0 -19.9428E+1 00E+0 00E+0 --1.000H+ -2.000e- +1.000SO4-2 +1.000H2O = HSO5- - log_k -60.21 - delta_h +419.540 #kJ/mol +- H+ - 2 e- + SO4-2 + H2O = HSO5- + log_k -60.21 + delta_h 419.54 #kJ/mol # Enthalpy of formation: -775.630 kJ/mol 88SHO/HEL - -analytic 13.29025E+0 00.00000E+0 -21.91410E+3 00.00000E+0 00.00000E+0 + -analytic 13.29025E+0 00E+0 -21.9141E+3 00E+0 00E+0 --2.000e- +3.000I- = I3- - log_k -18.17 - delta_h +118.877 #kJ/mol +- 2 e- + 3 I- = I3- + log_k -18.17 + delta_h 118.877 #kJ/mol # Enthalpy of formation: -51.463 kJ/mol 92JOH/OEL - -analytic 26.56356E-1 00.00000E+0 -62.09378E+2 00.00000E+0 00.00000E+0 + -analytic 26.56356E-1 00E+0 -62.09378E+2 00E+0 00E+0 --2.000e- +2.000Cl- +1.000I- = ICl2- - log_k -26.80 #96FAL/REA - -analytic -26.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +- 2 e- + 2 Cl- + I- = ICl2- + log_k -26.8 #96FAL/REA + -analytic -26.8E+0 00E+0 00E+0 00E+0 00E+0 --2.000H+ -2.000e- +1.000I- +1.000H2O = IO- - log_k -44.00 #96FAL/REA - -analytic -44.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +- 2 H+ - 2 e- + I- + H2O = IO- + log_k -44 #96FAL/REA + -analytic -44E+0 00E+0 00E+0 00E+0 00E+0 --8.000H+ -8.000e- +1.000I- +4.000H2O = IO4- - log_k -164.98 - delta_h +1048.639 #kJ/mol +- 8 H+ - 8 e- + I- + 4 H2O = IO4- + log_k -164.98 + delta_h 1048.639 #kJ/mol # Enthalpy of formation: -151.461 kJ/mol 92JOH/OEL - -analytic 18.73367E+0 00.00000E+0 -54.77423E+3 00.00000E+0 00.00000E+0 - -+1.000K+ +1.000Edta-4 = K(Edta)-3 - log_k +1.80 #05HUM/AND - -analytic 18.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000K+ +1.000H+ +1.000Nta-3 = K(HNta)- - log_k +10.30 #95AKR/BOU - -analytic 10.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000K+ -1.000H+ +1.000H2(PO4)- = K(HPO4)- - log_k -6.40 #97MAR/SMI - delta_h +31.589 #kJ/mol 97MAR/SMI -# Enthalpy of formation: -1523.151 kJ/mol - -analytic -86.58448E-2 00.00000E+0 -16.50008E+2 00.00000E+0 00.00000E+0 - -+1.000K+ +1.000IO3- = K(IO3) - log_k +0.02 #estimation NEA87 08/2/95 - -analytic 20.00000E-3 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000K+ +1.000Nta-3 = K(Nta)-2 - log_k +1.30 #95AKR/BOU - -analytic 13.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000K+ +1.000Pyrophos-4 = K(Pyrophos)-3 - log_k +2.10 #76MAR/SMI - delta_h +7.113 #kJ/mol 76MAR/SMI - -analytic 33.46144E-1 00.00000E+0 -37.15379E+1 00.00000E+0 00.00000E+0 - -+1.000K+ +1.000I- = KI - log_k -1.57 - delta_h +9.011 #kJ/mol + -analytic 18.73367E+0 00E+0 -54.77423E+3 00E+0 00E+0 + +K+ + Edta-4 = K(Edta)-3 + log_k 1.8 #05HUM/AND + -analytic 18E-1 00E+0 00E+0 00E+0 00E+0 + +K+ + H+ + Nta-3 = K(HNta)- + log_k 10.3 #95AKR/BOU + -analytic 10.3E+0 00E+0 00E+0 00E+0 00E+0 + +K+ - H+ + H2(PO4)- = K(HPO4)- + log_k -6.4 #97MAR/SMI + delta_h 31.589 #kJ/mol 97MAR/SMI +# Enthalpy of formation: -1523.151 kJ/mol + -analytic -86.58448E-2 00E+0 -16.50008E+2 00E+0 00E+0 + +K+ + IO3- = K(IO3) + log_k 0.02 #estimation NEA87 08/2/95 + -analytic 20E-3 00E+0 00E+0 00E+0 00E+0 + +K+ + Nta-3 = K(Nta)-2 + log_k 1.3 #95AKR/BOU + -analytic 13E-1 00E+0 00E+0 00E+0 00E+0 + +K+ + Pyrophos-4 = K(Pyrophos)-3 + log_k 2.1 #76MAR/SMI + delta_h 7.113 #kJ/mol 76MAR/SMI + -analytic 33.46144E-1 00E+0 -37.15379E+1 00E+0 00E+0 + +K+ + I- = KI + log_k -1.57 + delta_h 9.011 #kJ/mol # Enthalpy of formation: -299.909 kJ/mol 92JOH/OEL - -analytic 86.59435E-4 00.00000E+0 -47.06773E+1 00.00000E+0 00.00000E+0 - -+1.000K+ -2.000H+ +1.000H2(PO4)- = KPO4-2 - log_k -18.26 #97MAR/SMI - -analytic -18.26000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000Cit-3 = Mg(Cit)- - log_k +4.81 #05HUM/AND - -analytic 48.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000CO3-2 = Mg(CO3) - log_k +2.98 #97SVE/SHO - delta_h +8.810 #kJ/mol -# Enthalpy of formation: -1133.420 kJ/mol - -analytic 45.23446E-1 00.00000E+0 -46.01783E+1 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000Edta-4 = Mg(Edta)-2 - log_k +10.90 #05HUM/AND - delta_h +19.800 #kJ/mol 05HUM/AND -# Enthalpy of formation: -2152.000 kJ/mol - -analytic 14.36881E+0 00.00000E+0 -10.34226E+2 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +2.000H+ +1.000Cit-3 = Mg(H2Cit)+ - log_k +12.45 #05HUM/AND - -analytic 12.45000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000H2(PO4)- = Mg(H2PO4)+ - log_k +1.17 #81TUR/WHI - delta_h +13.514 #kJ/mol 96BOU1 -# Enthalpy of formation: -1756.086 kJ/mol - -analytic 35.37551E-1 00.00000E+0 -70.58854E+1 00.00000E+0 00.00000E+0 - -+1.000Mg+2 -1.000H+ +1.000H4(SiO4) = Mg(H3SiO4)+ - log_k -8.58 #97SVE/SHO - delta_h +27.114 #kJ/mol -# Enthalpy of formation: -1901.080 kJ/mol - -analytic -38.29831E-1 00.00000E+0 -14.16263E+2 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000H+ +1.000Cit-3 = Mg(HCit) - log_k +8.96 #05HUM/AND - -analytic 89.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000H+ +1.000CO3-2 = Mg(HCO3)+ - log_k +11.37 #95SHO/KOR - delta_h -12.888 #kJ/mol -# Enthalpy of formation: -1155.118 kJ/mol - -analytic 91.12119E-1 00.00000E+0 67.31871E+1 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000H+ +1.000Edta-4 = Mg(HEdta)- - log_k +15.40 #05HUM/AND - -analytic 15.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000HGlu- = Mg(HGlu)+ - log_k +0.81 #19KUT/DUD - -analytic 81.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000HIsa- = Mg(HIsa)+ - log_k +0.81 #Analogy with Mg(HGlu)+ - -analytic 81.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000H+ +1.000Malonate-2 = Mg(HMalonate)+ - log_k +7.05 #13GRI/CAM - -analytic 70.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 -1.000H+ +1.000H2(PO4)- = Mg(HPO4) - log_k -4.30 #76SMI/MAR - delta_h +16.152 #kJ/mol 76SMI/MAR -# Enthalpy of formation: -1753.448 kJ/mol - -analytic -14.70291E-1 00.00000E+0 -84.36777E+1 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000H+ +1.000Succinat-2 = Mg(HSuccinat)+ - log_k +6.72 #13GRI/CAM - -analytic 67.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000IO3- = Mg(IO3)+ - log_k +0.70 #estimation NEA87 08/2/95 ; - -analytic 70.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000Malonate-2 = Mg(Malonate) - log_k +2.86 #76KLA/OST - -analytic 28.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000NH3 = Mg(NH3)+2 - log_k +0.10 - delta_h +0.022 #kJ/mol + -analytic 86.59435E-4 00E+0 -47.06773E+1 00E+0 00E+0 + +K+ - 2 H+ + H2(PO4)- = KPO4-2 + log_k -18.26 #97MAR/SMI + -analytic -18.26E+0 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + Cit-3 = Mg(Cit)- + log_k 4.81 #05HUM/AND + -analytic 48.1E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + CO3-2 = Mg(CO3) + log_k 2.98 #97SVE/SHO + delta_h 8.81 #kJ/mol +# Enthalpy of formation: -1133.420 kJ/mol + -analytic 45.23446E-1 00E+0 -46.01783E+1 00E+0 00E+0 + +Mg+2 + Edta-4 = Mg(Edta)-2 + log_k 10.9 #05HUM/AND + delta_h 19.8 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2152.000 kJ/mol + -analytic 14.36881E+0 00E+0 -10.34226E+2 00E+0 00E+0 + +Mg+2 + 2 H+ + Cit-3 = Mg(H2Cit)+ + log_k 12.45 #05HUM/AND + -analytic 12.45E+0 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + H2(PO4)- = Mg(H2PO4)+ + log_k 1.17 #81TUR/WHI + delta_h 13.514 #kJ/mol 96BOU1 +# Enthalpy of formation: -1756.086 kJ/mol + -analytic 35.37551E-1 00E+0 -70.58854E+1 00E+0 00E+0 + +Mg+2 - H+ + H4(SiO4) = Mg(H3SiO4)+ + log_k -8.58 #97SVE/SHO + delta_h 27.114 #kJ/mol +# Enthalpy of formation: -1901.080 kJ/mol + -analytic -38.29831E-1 00E+0 -14.16263E+2 00E+0 00E+0 + +Mg+2 + H+ + Cit-3 = Mg(HCit) + log_k 8.96 #05HUM/AND + -analytic 89.6E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + H+ + CO3-2 = Mg(HCO3)+ + log_k 11.37 #95SHO/KOR + delta_h -12.888 #kJ/mol +# Enthalpy of formation: -1155.118 kJ/mol + -analytic 91.12119E-1 00E+0 67.31871E+1 00E+0 00E+0 + +Mg+2 + H+ + Edta-4 = Mg(HEdta)- + log_k 15.4 #05HUM/AND + -analytic 15.4E+0 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + HGlu- = Mg(HGlu)+ + log_k 0.81 #19KUT/DUD + -analytic 81E-2 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + HIsa- = Mg(HIsa)+ + log_k 0.81 #Analogy with Mg(HGlu)+ + -analytic 81E-2 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + H+ + Malonate-2 = Mg(HMalonate)+ + log_k 7.05 #13GRI/CAM + -analytic 70.5E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 - H+ + H2(PO4)- = Mg(HPO4) + log_k -4.3 #76SMI/MAR + delta_h 16.152 #kJ/mol 76SMI/MAR +# Enthalpy of formation: -1753.448 kJ/mol + -analytic -14.70291E-1 00E+0 -84.36777E+1 00E+0 00E+0 + +Mg+2 + H+ + Succinat-2 = Mg(HSuccinat)+ + log_k 6.72 #13GRI/CAM + -analytic 67.2E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + IO3- = Mg(IO3)+ + log_k 0.7 #estimation NEA87 08/2/95 + -analytic 70E-2 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + Malonate-2 = Mg(Malonate) + log_k 2.86 #76KLA/OST + -analytic 28.6E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + NH3 = Mg(NH3)+2 + log_k 0.1 + delta_h 0.022 #kJ/mol # Enthalpy of formation: -548.148 kJ/mol 03-91 MINTEQL-PSI - -analytic 10.38542E-2 00.00000E+0 -11.49140E-1 00.00000E+0 00.00000E+0 + -analytic 10.38542E-2 00E+0 -11.4914E-1 00E+0 00E+0 -+1.000Mg+2 +2.000NH3 = Mg(NH3)2+2 - log_k +0.00 - delta_h +0.044 #kJ/mol +Mg+2 + 2 NH3 = Mg(NH3)2+2 + log_k 0 + delta_h 0.044 #kJ/mol # Enthalpy of formation: -629.296 kJ/mol 03-91 MINTEQL-PSI - -analytic 77.08469E-4 00.00000E+0 -22.98280E-1 00.00000E+0 00.00000E+0 + -analytic 77.08469E-4 00E+0 -22.9828E-1 00E+0 00E+0 -+1.000Mg+2 +3.000NH3 = Mg(NH3)3+2 - log_k -0.30 - delta_h +0.066 #kJ/mol +Mg+2 + 3 NH3 = Mg(NH3)3+2 + log_k -0.3 + delta_h 0.066 #kJ/mol # Enthalpy of formation: -710.444 kJ/mol 03-91 MINTEQL-PSI - -analytic -28.84373E-2 00.00000E+0 -34.47420E-1 00.00000E+0 00.00000E+0 + -analytic -28.84373E-2 00E+0 -34.4742E-1 00E+0 00E+0 -+1.000Mg+2 +4.000NH3 = Mg(NH3)4+2 - log_k -1.00 - delta_h +0.088 #kJ/mol +Mg+2 + 4 NH3 = Mg(NH3)4+2 + log_k -1 + delta_h 0.088 #kJ/mol # Enthalpy of formation: -791.592 kJ/mol 03-91 MINTEQL-PSI - -analytic -98.45831E-2 00.00000E+0 -45.96560E-1 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000Nta-3 = Mg(Nta)- - log_k +6.79 #95AKR/BOU - -analytic 67.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 -1.000H+ +1.000HGlu- +1.000H2O = Mg(OH)(HGlu) - log_k -9.10 #19KUT/DUD - -analytic -91.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 -1.000H+ +1.000HIsa- +1.000H2O = Mg(OH)(HIsa) - log_k -9.10 #Analogy with Mg(OH)(HGlu) - -analytic -91.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 -1.000H+ +1.000H2O = Mg(OH)+ - log_k -11.68 #97SHO/SAS2; Uncertainty to include available data. - delta_h +62.834 #kJ/mol -# Enthalpy of formation: -689.995 kJ/mol - -analytic -67.19557E-2 00.00000E+0 -32.82048E+2 00.00000E+0 00.00000E+0 - -+1.000Mg+2 -2.000H+ +1.000HGlu- +2.000H2O = Mg(OH)2(HGlu)- - log_k -20.44 #19KUT/DUD - -analytic -20.44000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 -2.000H+ +1.000HIsa- +2.000H2O = Mg(OH)2(HIsa)- - log_k -20.44 #Analogy with Mg(OH)2(HGlu)- - -analytic -20.44000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000Ox-2 = Mg(Ox) - log_k +3.56 #05HUM/AND - -analytic 35.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +2.000Ox-2 = Mg(Ox)2-2 - log_k +5.17 #05HUM/AND - -analytic 51.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 -2.000H+ +1.000H2(PO4)- = Mg(PO4)- - log_k -14.71 #81TUR/WHI - delta_h +31.170 #kJ/mol 96BOU1 -# Enthalpy of formation: -1738.430 kJ/mol - -analytic -92.49250E-1 00.00000E+0 -16.28122E+2 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000Pyrophos-4 = Mg(Pyrophos)-2 - log_k +7.20 #76SMI/MAR - delta_h +12.540 #kJ/mol - -analytic 93.96914E-1 00.00000E+0 -65.50098E+1 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000S2O3-2 = Mg(S2O3) - log_k +1.82 #76SMI/MAR - -analytic 18.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000SeO4-2 = Mg(SeO4) - log_k +2.20 #05OLI/NOL - delta_h -6.614 #kJ/mol -# Enthalpy of formation: -1077.114 kJ/mol - -analytic 10.41277E-1 00.00000E+0 34.54733E+1 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000SO4-2 = Mg(SO4) - log_k +2.23 #76SMI/MAR - delta_h +5.858 #kJ/mol 76SMI/MAR -# Enthalpy of formation: -1370.482 kJ/mol - -analytic 32.56278E-1 00.00000E+0 -30.59847E+1 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000Succinat-2 = Mg(Succinat) - log_k +2.27 #13GRI/CAM - -analytic 22.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Mg+2 +1.000UO2+2 +3.000CO3-2 = Mg2UO2(CO3)3 - log_k +27.10 #20GRE/GAO - -analytic 27.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+4.000Mg+2 -4.000H+ +4.000H2O = Mg4(OH)4+4 - log_k -39.75 #76BAE/MES - delta_h +229.186 #kJ/mol -# Enthalpy of formation: -2782.132 kJ/mol - -analytic 40.16637E-2 00.00000E+0 -11.97122E+3 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000B(OH)4- = MgB(OH)4+ - log_k +1.60 #97CRO - -analytic 16.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000Br- = MgBr+ - log_k -0.14 #88CHA/NEW - -analytic -14.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000Cl- = MgCl+ - log_k +0.35 #96BOU1 - delta_h -1.728 #kJ/mol -# Enthalpy of formation: -635.808 kJ/mol - -analytic 47.26740E-3 00.00000E+0 90.25973E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000F- = MgF+ - log_k +1.80 #96BOU - delta_h +13.389 #kJ/mol 96BOU -# Enthalpy of formation: -788.961 kJ/mol - -analytic 41.45652E-1 00.00000E+0 -69.93562E+1 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000I- = MgI+ - log_k +0.18 #92JOH/OEL - -analytic 18.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +2.000I- = MgI2 - log_k +0.03 #92JOH/OEL - -analytic 30.00000E-3 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mg+2 +1.000UO2+2 +3.000CO3-2 = MgUO2(CO3)3-2 - log_k +26.20 #20GRE/GAO - delta_h -50.900 #kJ/mol 21SHA/REI -# Enthalpy of formation: -3562.590 kJ/mol - -analytic 17.28270E+0 00.00000E+0 26.58692E+2 00.00000E+0 00.00000E+0 - -+1.000Mn+2 +1.000CO3-2 = Mn(CO3) - log_k +6.50 #96FAL/REA - -analytic 65.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mn+2 +1.000H+ +1.000CO3-2 = Mn(HCO3)+ - log_k +11.61 #95CHI - -analytic 11.61000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mn+2 -1.000H+ +1.000H2(PO4)- = Mn(HPO4) - log_k -3.26 #96FAL/REA - -analytic -32.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mn+2 -2.000H+ +2.000H2(PO4)- = Mn(HPO4)2-2 - log_k -9.12 #96FAL/REA - -analytic -91.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mn+2 +1.000IO3- = Mn(IO3)+ - log_k +0.84 #estimation NEA87 08/2/95 - -analytic 84.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mn+2 +2.000IO3- = Mn(IO3)2 - log_k +0.13 #estimation NEA87 08/2/95 - -analytic 13.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mn+2 +1.000NH3 = Mn(NH3)+2 - log_k +0.70 #88CHA/NEW - -analytic 70.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mn+2 +2.000NH3 = Mn(NH3)2+2 - log_k +1.20 #88CHA/NEW - -analytic 12.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mn+2 +1.000NO3- = Mn(NO3)+ - log_k +0.16 #96FAL/REA - -analytic 16.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mn+2 +2.000NO3- = Mn(NO3)2 - log_k +0.50 #96FAL/REA - -analytic 50.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mn+2 -1.000H+ +1.000H2O = Mn(OH)+ - log_k -10.59 #95CHI - -analytic -10.59000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mn+2 -2.000H+ +2.000H2O = Mn(OH)2 - log_k -22.20 #95CHI - -analytic -22.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mn+2 -3.000H+ +3.000H2O = Mn(OH)3- - log_k -34.80 #95CHI - -analytic -34.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mn+2 -4.000H+ +4.000H2O = Mn(OH)4-2 - log_k -48.30 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/91PEA/BER 11891 EN ; Nagra TR 91-18 (mai 1992, Hatches 3.0) (provient de la base 0391 MINEQL- PSY) - -analytic -48.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mn+2 +1.000Pyrophos-4 = Mn(Pyrophos)-2 - log_k +6.00 #88CHA/NEW - -analytic 60.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mn+2 +1.000S2O3-2 = Mn(S2O3) - log_k +1.90 #88CHA/NEW - -analytic 19.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mn+2 +1.000SeO4-2 = Mn(SeO4) - log_k +2.43 #05OLI/NOL - delta_h -1.560 #kJ/mol -# Enthalpy of formation: -825.861 kJ/mol - -analytic 21.56700E-1 00.00000E+0 81.48448E+0 00.00000E+0 00.00000E+0 - -+1.000Mn+2 +1.000SO4-2 = Mn(SO4) - log_k +2.25 #95CHI - delta_h +14.100 #kJ/mol 95CHI -# Enthalpy of formation: -1116.040 kJ/mol - -analytic 47.20214E-1 00.00000E+0 -73.64943E+1 00.00000E+0 00.00000E+0 - -+1.000Mn+2 -1.000e- = Mn+3 - log_k -25.51 #96FAL/REA - -analytic -25.51000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Mn+2 -1.000H+ +1.000H2O = Mn2(OH)+3 - log_k -10.10 #96FAL/REA - -analytic -10.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Mn+2 -3.000H+ +3.000H2O = Mn2(OH)3+ - log_k -24.90 #96FAL/REA - -analytic -24.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mn+2 +1.000Br- = MnBr+ - log_k +0.13 #88CHA/NEW - -analytic 13.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Mn+2 +1.000Cl- = MnCl+ - log_k +0.27 - delta_h +18.516 #kJ/mol + -analytic -98.45831E-2 00E+0 -45.9656E-1 00E+0 00E+0 + +Mg+2 + Nta-3 = Mg(Nta)- + log_k 6.79 #95AKR/BOU + -analytic 67.9E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 - H+ + HGlu- + H2O = Mg(OH)(HGlu) + log_k -9.1 #19KUT/DUD + -analytic -91E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 - H+ + HIsa- + H2O = Mg(OH)(HIsa) + log_k -9.1 #Analogy with Mg(OH)(HGlu) + -analytic -91E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 - H+ + H2O = Mg(OH)+ + log_k -11.68 #97SHO/SAS2; Uncertainty to include available data. + delta_h 62.834 #kJ/mol +# Enthalpy of formation: -689.995 kJ/mol + -analytic -67.19557E-2 00E+0 -32.82048E+2 00E+0 00E+0 + +Mg+2 - 2 H+ + HGlu- + 2 H2O = Mg(OH)2(HGlu)- + log_k -20.44 #19KUT/DUD + -analytic -20.44E+0 00E+0 00E+0 00E+0 00E+0 + +Mg+2 - 2 H+ + HIsa- + 2 H2O = Mg(OH)2(HIsa)- + log_k -20.44 #Analogy with Mg(OH)2(HGlu)- + -analytic -20.44E+0 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + Ox-2 = Mg(Ox) + log_k 3.56 #05HUM/AND + -analytic 35.6E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + 2 Ox-2 = Mg(Ox)2-2 + log_k 5.17 #05HUM/AND + -analytic 51.7E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 - 2 H+ + H2(PO4)- = Mg(PO4)- + log_k -14.71 #81TUR/WHI + delta_h 31.17 #kJ/mol 96BOU1 +# Enthalpy of formation: -1738.430 kJ/mol + -analytic -92.4925E-1 00E+0 -16.28122E+2 00E+0 00E+0 + +Mg+2 + Pyrophos-4 = Mg(Pyrophos)-2 + log_k 7.2 #76SMI/MAR + delta_h 12.54 #kJ/mol + -analytic 93.96914E-1 00E+0 -65.50098E+1 00E+0 00E+0 + +Mg+2 + S2O3-2 = Mg(S2O3) + log_k 1.82 #76SMI/MAR + -analytic 18.2E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + SeO4-2 = Mg(SeO4) + log_k 2.2 #05OLI/NOL + delta_h -6.614 #kJ/mol +# Enthalpy of formation: -1077.114 kJ/mol + -analytic 10.41277E-1 00E+0 34.54733E+1 00E+0 00E+0 + +Mg+2 + SO4-2 = Mg(SO4) + log_k 2.23 #76SMI/MAR + delta_h 5.858 #kJ/mol 76SMI/MAR +# Enthalpy of formation: -1370.482 kJ/mol + -analytic 32.56278E-1 00E+0 -30.59847E+1 00E+0 00E+0 + +Mg+2 + Succinat-2 = Mg(Succinat) + log_k 2.27 #13GRI/CAM + -analytic 22.7E-1 00E+0 00E+0 00E+0 00E+0 + +2 Mg+2 + UO2+2 + 3 CO3-2 = Mg2UO2(CO3)3 + log_k 27.1 #20GRE/GAO + -analytic 27.1E+0 00E+0 00E+0 00E+0 00E+0 + +4 Mg+2 - 4 H+ + 4 H2O = Mg4(OH)4+4 + log_k -39.75 #76BAE/MES + delta_h 229.186 #kJ/mol +# Enthalpy of formation: -2782.132 kJ/mol + -analytic 40.16637E-2 00E+0 -11.97122E+3 00E+0 00E+0 + +Mg+2 + B(OH)4- = MgB(OH)4+ + log_k 1.6 #97CRO + -analytic 16E-1 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + Br- = MgBr+ + log_k -0.14 #88CHA/NEW + -analytic -14E-2 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + Cl- = MgCl+ + log_k 0.35 #96BOU1 + delta_h -1.728 #kJ/mol +# Enthalpy of formation: -635.808 kJ/mol + -analytic 47.2674E-3 00E+0 90.25973E+0 00E+0 00E+0 + +Mg+2 + F- = MgF+ + log_k 1.8 #96BOU + delta_h 13.389 #kJ/mol 96BOU +# Enthalpy of formation: -788.961 kJ/mol + -analytic 41.45652E-1 00E+0 -69.93562E+1 00E+0 00E+0 + +Mg+2 + I- = MgI+ + log_k 0.18 #92JOH/OEL + -analytic 18E-2 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + 2 I- = MgI2 + log_k 0.03 #92JOH/OEL + -analytic 30E-3 00E+0 00E+0 00E+0 00E+0 + +Mg+2 + UO2+2 + 3 CO3-2 = MgUO2(CO3)3-2 + log_k 26.2 #20GRE/GAO + delta_h -50.9 #kJ/mol 21SHA/REI +# Enthalpy of formation: -3562.590 kJ/mol + -analytic 17.2827E+0 00E+0 26.58692E+2 00E+0 00E+0 + +Mn+2 + CO3-2 = Mn(CO3) + log_k 6.5 #96FAL/REA + -analytic 65E-1 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + H+ + CO3-2 = Mn(HCO3)+ + log_k 11.61 #95CHI + -analytic 11.61E+0 00E+0 00E+0 00E+0 00E+0 + +Mn+2 - H+ + H2(PO4)- = Mn(HPO4) + log_k -3.26 #96FAL/REA + -analytic -32.6E-1 00E+0 00E+0 00E+0 00E+0 + +Mn+2 - 2 H+ + 2 H2(PO4)- = Mn(HPO4)2-2 + log_k -9.12 #96FAL/REA + -analytic -91.2E-1 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + IO3- = Mn(IO3)+ + log_k 0.84 #estimation NEA87 08/2/95 + -analytic 84E-2 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + 2 IO3- = Mn(IO3)2 + log_k 0.13 #estimation NEA87 08/2/95 + -analytic 13E-2 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + NH3 = Mn(NH3)+2 + log_k 0.7 #88CHA/NEW + -analytic 70E-2 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + 2 NH3 = Mn(NH3)2+2 + log_k 1.2 #88CHA/NEW + -analytic 12E-1 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + NO3- = Mn(NO3)+ + log_k 0.16 #96FAL/REA + -analytic 16E-2 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + 2 NO3- = Mn(NO3)2 + log_k 0.5 #96FAL/REA + -analytic 50E-2 00E+0 00E+0 00E+0 00E+0 + +Mn+2 - H+ + H2O = Mn(OH)+ + log_k -10.59 #95CHI + -analytic -10.59E+0 00E+0 00E+0 00E+0 00E+0 + +Mn+2 - 2 H+ + 2 H2O = Mn(OH)2 + log_k -22.2 #95CHI + -analytic -22.2E+0 00E+0 00E+0 00E+0 00E+0 + +Mn+2 - 3 H+ + 3 H2O = Mn(OH)3- + log_k -34.8 #95CHI + -analytic -34.8E+0 00E+0 00E+0 00E+0 00E+0 + +Mn+2 - 4 H+ + 4 H2O = Mn(OH)4-2 + log_k -48.3 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/91PEA/BER 11891 EN; Nagra TR 91-18 (mai 1992, Hatches 3.0) (provient de la base 0391 MINEQL- PSY) + -analytic -48.3E+0 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + Pyrophos-4 = Mn(Pyrophos)-2 + log_k 6 #88CHA/NEW + -analytic 60E-1 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + S2O3-2 = Mn(S2O3) + log_k 1.9 #88CHA/NEW + -analytic 19E-1 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + SeO4-2 = Mn(SeO4) + log_k 2.43 #05OLI/NOL + delta_h -1.56 #kJ/mol +# Enthalpy of formation: -825.861 kJ/mol + -analytic 21.567E-1 00E+0 81.48448E+0 00E+0 00E+0 + +Mn+2 + SO4-2 = Mn(SO4) + log_k 2.25 #95CHI + delta_h 14.1 #kJ/mol 95CHI +# Enthalpy of formation: -1116.040 kJ/mol + -analytic 47.20214E-1 00E+0 -73.64943E+1 00E+0 00E+0 + +Mn+2 - e- = Mn+3 + log_k -25.51 #96FAL/REA + -analytic -25.51E+0 00E+0 00E+0 00E+0 00E+0 + +2 Mn+2 - H+ + H2O = Mn2(OH)+3 + log_k -10.1 #96FAL/REA + -analytic -10.1E+0 00E+0 00E+0 00E+0 00E+0 + +2 Mn+2 - 3 H+ + 3 H2O = Mn2(OH)3+ + log_k -24.9 #96FAL/REA + -analytic -24.9E+0 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + Br- = MnBr+ + log_k 0.13 #88CHA/NEW + -analytic 13E-2 00E+0 00E+0 00E+0 00E+0 + +Mn+2 + Cl- = MnCl+ + log_k 0.27 + delta_h 18.516 #kJ/mol # Enthalpy of formation: -369.364 kJ/mol 97SVE/SHO - -analytic 35.13864E-1 00.00000E+0 -96.71580E+1 00.00000E+0 00.00000E+0 + -analytic 35.13864E-1 00E+0 -96.7158E+1 00E+0 00E+0 -+1.000Mn+2 +2.000Cl- = MnCl2 - log_k +0.25 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - -analytic 25.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mn+2 + 2 Cl- = MnCl2 + log_k 0.25 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) + -analytic 25E-2 00E+0 00E+0 00E+0 00E+0 -+1.000Mn+2 +3.000Cl- = MnCl3- - log_k -0.31 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - -analytic -31.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mn+2 + 3 Cl- = MnCl3- + log_k -0.31 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) + -analytic -31E-2 00E+0 00E+0 00E+0 00E+0 -+1.000Mn+2 +1.000F- = MnF+ - log_k +0.85 #96FAL/REA - -analytic 85.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mn+2 + F- = MnF+ + log_k 0.85 #96FAL/REA + -analytic 85E-2 00E+0 00E+0 00E+0 00E+0 -+1.000Mn+2 +2.000F- = MnF2 - log_k +9.04 #88CHA/NEW - -analytic 90.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mn+2 + 2 F- = MnF2 + log_k 9.04 #88CHA/NEW + -analytic 90.4E-1 00E+0 00E+0 00E+0 00E+0 -+1.000Mn+2 +3.000F- = MnF3- - log_k +11.64 #88CHA/NEW - -analytic 11.64000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mn+2 + 3 F- = MnF3- + log_k 11.64 #88CHA/NEW + -analytic 11.64E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Mn+2 +4.000F- = MnF4-2 - log_k +13.40 #88CHA/NEW - -analytic 13.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mn+2 + 4 F- = MnF4-2 + log_k 13.4 #88CHA/NEW + -analytic 13.4E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Mn+2 +5.000F- = MnF5-3 - log_k +14.70 #88CHA/NEW - -analytic 14.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mn+2 + 5 F- = MnF5-3 + log_k 14.7 #88CHA/NEW + -analytic 14.7E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Mn+2 +6.000F- = MnF6-4 - log_k +15.50 #88CHA/NEW - -analytic 15.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mn+2 + 6 F- = MnF6-4 + log_k 15.5 #88CHA/NEW + -analytic 15.5E+0 00E+0 00E+0 00E+0 00E+0 -+1.000Mn+2 +1.000I- = MnI+ - log_k +0.23 #92JOH/OEL - -analytic 23.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mn+2 + I- = MnI+ + log_k 0.23 #92JOH/OEL + -analytic 23E-2 00E+0 00E+0 00E+0 00E+0 -+1.000Mn+2 -8.000H+ -5.000e- +4.000H2O = MnO4- - log_k -127.81 - delta_h +822.710 #kJ/mol +Mn+2 - 8 H+ - 5 e- + 4 H2O = MnO4- + log_k -127.81 + delta_h 822.71 #kJ/mol # Enthalpy of formation: -541.410 kJ/mol 92JOH/OEL - -analytic 16.32260E+0 00.00000E+0 -42.97314E+3 00.00000E+0 00.00000E+0 + -analytic 16.3226E+0 00E+0 -42.97314E+3 00E+0 00E+0 -+1.000Mn+2 -8.000H+ -4.000e- +4.000H2O = MnO4-2 - log_k -118.43 - delta_h +711.416 #kJ/mol +Mn+2 - 8 H+ - 4 e- + 4 H2O = MnO4-2 + log_k -118.43 + delta_h 711.416 #kJ/mol # Enthalpy of formation: -652.704 kJ/mol 92JOH/OEL - -analytic 62.04733E-1 00.00000E+0 -37.15985E+3 00.00000E+0 00.00000E+0 - -+1.000Mn+2 -8.000H+ -3.000e- +4.000H2O = MnO4-3 - log_k -113.00 #96FAL/REA - -analytic -11.30000E+1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+8.000H+ +3.000e- +1.000MoO4-2 -4.000H2O = Mo+3 - log_k +21.76 #68SAS/SIL - -analytic 21.76000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+34.000H+ +19.000MoO4-2 -17.000H2O = Mo19O59-4 - log_k +196.30 #68SAS/SIL - -analytic 19.63000E+1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+5.000H+ +2.000MoO4-2 -2.000H2O = Mo2O5(OH)+ - log_k +19.00 #68SAS/SIL - -analytic 19.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+11.000H+ +7.000MoO4-2 -4.000H2O = Mo7O21(OH)3-3 - log_k +66.48 #68SAS/SIL, 64AVE/ANA - delta_h -222.589 #kJ/mol 68ARN/SZI in 76BAE/MES -# Enthalpy of formation: -6058.269 kJ/mol - -analytic 27.48408E+0 00.00000E+0 11.62663E+3 00.00000E+0 00.00000E+0 - -+10.000H+ +7.000MoO4-2 -4.000H2O = Mo7O22(OH)2-4 - log_k +62.71 #68SAS/SIL, 64AVE/ANA - delta_h -220.079 #kJ/mol 68ARN/SZI in 76BAE/MES -# Enthalpy of formation: -6055.759 kJ/mol - -analytic 24.15381E+0 00.00000E+0 11.49553E+3 00.00000E+0 00.00000E+0 - -+9.000H+ +7.000MoO4-2 -4.000H2O = Mo7O23(OH)-5 - log_k +57.21 #68SAS/SIL, 64AVE/ANA - delta_h -223.426 #kJ/mol 68ARN/SZI in 76BAE/MES -# Enthalpy of formation: -6059.106 kJ/mol - -analytic 18.06745E+0 00.00000E+0 11.67035E+3 00.00000E+0 00.00000E+0 - -+8.000H+ +7.000MoO4-2 -4.000H2O = Mo7O24-6 - log_k +50.35 #68SAS/SIL, 64AVE/ANA - delta_h -234.304 #kJ/mol 68ARN/SZI in 76BAE/MES -# Enthalpy of formation: -6069.984 kJ/mol - -analytic 93.01701E-1 00.00000E+0 12.23855E+3 00.00000E+0 00.00000E+0 - -+1.000Na+ +1.000CO3-2 = Na(CO3)- - log_k +1.27 #90NOR/PLU - delta_h +37.279 #kJ/mol 90NOR/PLU -# Enthalpy of formation: -878.291 kJ/mol - -analytic 78.01000E-1 00.00000E+0 -19.47218E+2 00.00000E+0 00.00000E+0 - -+1.000Na+ +1.000Edta-4 = Na(Edta)-3 - log_k +2.80 #05HUM/AND - delta_h -4.000 #kJ/mol 05HUM/AND -# Enthalpy of formation: -1949.140 kJ/mol - -analytic 20.99230E-1 00.00000E+0 20.89346E+1 00.00000E+0 00.00000E+0 - -+1.000Na+ +1.000H+ +1.000CO3-2 = Na(HCO3) - log_k +10.08 #90NOR/PLU - delta_h -26.127 #kJ/mol -# Enthalpy of formation: -941.697 kJ/mol - -analytic 55.02746E-1 00.00000E+0 13.64708E+2 00.00000E+0 00.00000E+0 - -+1.000Na+ +1.000H+ +1.000Nta-3 = Na(HNta)- - log_k +10.32 #95AKR/BOU - -analytic 10.32000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Na+ -1.000H+ +1.000H2(PO4)- = Na(HPO4)- - log_k -6.34 #97MAR/SMI - delta_h +34.936 #kJ/mol 97MAR/SMI -# Enthalpy of formation: -1508.004 kJ/mol - -analytic -21.94755E-2 00.00000E+0 -18.24834E+2 00.00000E+0 00.00000E+0 - -+1.000Na+ +1.000IO3- = Na(IO3) - log_k +0.06 #estimation NEA87 08/2/95 - -analytic 60.00000E-3 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Na+ +1.000Nta-3 = Na(Nta)-2 - log_k +1.88 #95AKR/BOU - -analytic 18.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Na+ +1.000S2O3-2 = Na(S2O3)- - log_k +0.61 - delta_h +4.656 #kJ/mol + -analytic 62.04733E-1 00E+0 -37.15985E+3 00E+0 00E+0 + +Mn+2 - 8 H+ - 3 e- + 4 H2O = MnO4-3 + log_k -113 #96FAL/REA + -analytic -11.3E+1 00E+0 00E+0 00E+0 00E+0 + +8 H+ + 3 e- + MoO4-2 - 4 H2O = Mo+3 + log_k 21.76 #68SAS/SIL + -analytic 21.76E+0 00E+0 00E+0 00E+0 00E+0 + +34 H+ + 19 MoO4-2 - 17 H2O = Mo19O59-4 + log_k 196.3 #68SAS/SIL + -analytic 19.63E+1 00E+0 00E+0 00E+0 00E+0 + +5 H+ + 2 MoO4-2 - 2 H2O = Mo2O5(OH)+ + log_k 19 #68SAS/SIL + -analytic 19E+0 00E+0 00E+0 00E+0 00E+0 + +11 H+ + 7 MoO4-2 - 4 H2O = Mo7O21(OH)3-3 + log_k 66.48 #68SAS/SIL, 64AVE/ANA + delta_h -222.589 #kJ/mol 68ARN/SZI in 76BAE/MES +# Enthalpy of formation: -6058.269 kJ/mol + -analytic 27.48408E+0 00E+0 11.62663E+3 00E+0 00E+0 + +10 H+ + 7 MoO4-2 - 4 H2O = Mo7O22(OH)2-4 + log_k 62.71 #68SAS/SIL, 64AVE/ANA + delta_h -220.079 #kJ/mol 68ARN/SZI in 76BAE/MES +# Enthalpy of formation: -6055.759 kJ/mol + -analytic 24.15381E+0 00E+0 11.49553E+3 00E+0 00E+0 + +9 H+ + 7 MoO4-2 - 4 H2O = Mo7O23(OH)-5 + log_k 57.21 #68SAS/SIL, 64AVE/ANA + delta_h -223.426 #kJ/mol 68ARN/SZI in 76BAE/MES +# Enthalpy of formation: -6059.106 kJ/mol + -analytic 18.06745E+0 00E+0 11.67035E+3 00E+0 00E+0 + +8 H+ + 7 MoO4-2 - 4 H2O = Mo7O24-6 + log_k 50.35 #68SAS/SIL, 64AVE/ANA + delta_h -234.304 #kJ/mol 68ARN/SZI in 76BAE/MES +# Enthalpy of formation: -6069.984 kJ/mol + -analytic 93.01701E-1 00E+0 12.23855E+3 00E+0 00E+0 + +Na+ + CO3-2 = Na(CO3)- + log_k 1.27 #90NOR/PLU + delta_h 37.279 #kJ/mol 90NOR/PLU +# Enthalpy of formation: -878.291 kJ/mol + -analytic 78.01E-1 00E+0 -19.47218E+2 00E+0 00E+0 + +Na+ + Edta-4 = Na(Edta)-3 + log_k 2.8 #05HUM/AND + delta_h -4 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1949.140 kJ/mol + -analytic 20.9923E-1 00E+0 20.89346E+1 00E+0 00E+0 + +Na+ + H+ + CO3-2 = Na(HCO3) + log_k 10.08 #90NOR/PLU + delta_h -26.127 #kJ/mol +# Enthalpy of formation: -941.697 kJ/mol + -analytic 55.02746E-1 00E+0 13.64708E+2 00E+0 00E+0 + +Na+ + H+ + Nta-3 = Na(HNta)- + log_k 10.32 #95AKR/BOU + -analytic 10.32E+0 00E+0 00E+0 00E+0 00E+0 + +Na+ - H+ + H2(PO4)- = Na(HPO4)- + log_k -6.34 #97MAR/SMI + delta_h 34.936 #kJ/mol 97MAR/SMI +# Enthalpy of formation: -1508.004 kJ/mol + -analytic -21.94755E-2 00E+0 -18.24834E+2 00E+0 00E+0 + +Na+ + IO3- = Na(IO3) + log_k 0.06 #estimation NEA87 08/2/95 + -analytic 60E-3 00E+0 00E+0 00E+0 00E+0 + +Na+ + Nta-3 = Na(Nta)-2 + log_k 1.88 #95AKR/BOU + -analytic 18.8E-1 00E+0 00E+0 00E+0 00E+0 + +Na+ + S2O3-2 = Na(S2O3)- + log_k 0.61 + delta_h 4.656 #kJ/mol # Enthalpy of formation: -887.970 kJ/mol 82WAG/EVA - -analytic 14.25696E-1 00.00000E+0 -24.31998E+1 00.00000E+0 00.00000E+0 + -analytic 14.25696E-1 00E+0 -24.31998E+1 00E+0 00E+0 -+2.000Na+ +1.000Pyrophos-4 = Na2(Pyrophos)-2 - log_k +2.29 #76SMI/MAR - delta_h +5.858 #kJ/mol 76SMI/MAR - -analytic 33.16278E-1 00.00000E+0 -30.59847E+1 00.00000E+0 00.00000E+0 +2 Na+ + Pyrophos-4 = Na2(Pyrophos)-2 + log_k 2.29 #76SMI/MAR + delta_h 5.858 #kJ/mol 76SMI/MAR + -analytic 33.16278E-1 00E+0 -30.59847E+1 00E+0 00E+0 -+1.000Na+ +1.000Al+3 -4.000H+ +4.000H2O = NaAl(OH)4 - log_k -23.63 - delta_h +190.348 #kJ/mol +Na+ + Al+3 - 4 H+ + 4 H2O = NaAl(OH)4 + log_k -23.63 + delta_h 190.348 #kJ/mol # Enthalpy of formation: -1731.712 kJ/mol 95POK/HEL - -analytic 97.17538E-1 00.00000E+0 -99.42568E+2 00.00000E+0 00.00000E+0 - -+1.000Na+ +1.000B(OH)4- = NaB(OH)4 - log_k -0.10 - delta_h +1.226 #kJ/mol -# Enthalpy of formation: -1584.230 kJ/mol - -analytic 11.47860E-2 00.00000E+0 -64.03844E+0 00.00000E+0 00.00000E+0 - -+1.000Na+ +1.000F- = NaF - log_k -0.45 #96BOU - delta_h -12.552 #kJ/mol 96BOU -# Enthalpy of formation: -588.242 kJ/mol - -analytic -26.49016E-1 00.00000E+0 65.56366E+1 00.00000E+0 00.00000E+0 - -+1.000Na+ +1.000H2(PO4)- = NaH2PO4 - log_k +0.41 #97MAR/SMI - -analytic 41.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Na+ +1.000I- = NaI - log_k -1.52 - delta_h +7.252 #kJ/mol + -analytic 97.17538E-1 00E+0 -99.42568E+2 00E+0 00E+0 + +Na+ + B(OH)4- = NaB(OH)4 + log_k -0.1 + delta_h 1.226 #kJ/mol +# Enthalpy of formation: -1584.230 kJ/mol + -analytic 11.4786E-2 00E+0 -64.03844E+0 00E+0 00E+0 + +Na+ + F- = NaF + log_k -0.45 #96BOU + delta_h -12.552 #kJ/mol 96BOU +# Enthalpy of formation: -588.242 kJ/mol + -analytic -26.49016E-1 00E+0 65.56366E+1 00E+0 00E+0 + +Na+ + H2(PO4)- = NaH2PO4 + log_k 0.41 #97MAR/SMI + -analytic 41E-2 00E+0 00E+0 00E+0 00E+0 + +Na+ + I- = NaI + log_k -1.52 + delta_h 7.252 #kJ/mol # Enthalpy of formation: -289.868 kJ/mol 92JOH/OEL - -analytic -24.95041E-2 00.00000E+0 -37.87983E+1 00.00000E+0 00.00000E+0 - -+1.000Na+ -2.000H+ +1.000H2(PO4)- = NaPO4-2 - log_k -18.07 #97MAR/SMI - -analytic -18.07000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+3.000H+ +1.000Nb(OH)6- -3.000H2O = Nb(OH)3+2 - log_k +7.50 #97PEI/NGU - delta_h -10.230 #kJ/mol 97PEI/NGU -# Enthalpy of formation: -1078.398 kJ/mol - -analytic 57.07781E-1 00.00000E+0 53.43501E+1 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000Nb(OH)6- -2.000H2O = Nb(OH)4+ - log_k +6.64 #97PEI/NGU - delta_h -35.350 #kJ/mol 97PEI/NGU -# Enthalpy of formation: -1389.348 kJ/mol - -analytic 44.69458E-2 00.00000E+0 18.46459E+2 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000Nb(OH)6- -1.000H2O = Nb(OH)5 - log_k +5.08 #97PEI/NGU - delta_h -13.390 #kJ/mol 97PEI/NGU -# Enthalpy of formation: -1653.218 kJ/mol - -analytic 27.34173E-1 00.00000E+0 69.94084E+1 00.00000E+0 00.00000E+0 - --1.000H+ +1.000Nb(OH)6- +1.000H2O = Nb(OH)7-2 - log_k -8.88 #97PEI/NGU - delta_h +10.170 #kJ/mol 97PEI/NGU -# Enthalpy of formation: -2201.318 kJ/mol - -analytic -70.98292E-1 00.00000E+0 -53.12161E+1 00.00000E+0 00.00000E+0 - -+5.000H+ +1.000Nb(OH)6- +1.000Cit-3 -4.000H2O = NbO2(H3Cit)+ - log_k +25.64 #95AKR/BOU - -analytic 25.64000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+3.000H+ +1.000Nb(OH)6- +1.000Ox-2 -4.000H2O = NbO2(HOx) - log_k +13.70 #95AKR/BOU - -analytic 13.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+4.000H+ +1.000Nb(OH)6- +2.000Ox-2 -4.000H2O = NbO2(HOx)2- - log_k +20.96 #95AKR/BOU - -analytic 20.96000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000Nb(OH)6- +1.000Ox-2 -4.000H2O = NbO2(Ox)- - log_k +10.94 #95AKR/BOU - -analytic 10.94000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000NH3 = NH4+ - log_k +9.24 - delta_h -52.090 #kJ/mol + -analytic -24.95041E-2 00E+0 -37.87983E+1 00E+0 00E+0 + +Na+ - 2 H+ + H2(PO4)- = NaPO4-2 + log_k -18.07 #97MAR/SMI + -analytic -18.07E+0 00E+0 00E+0 00E+0 00E+0 + +3 H+ + Nb(OH)6- - 3 H2O = Nb(OH)3+2 + log_k 7.5 #97PEI/NGU + delta_h -10.23 #kJ/mol 97PEI/NGU +# Enthalpy of formation: -1078.398 kJ/mol + -analytic 57.07781E-1 00E+0 53.43501E+1 00E+0 00E+0 + +2 H+ + Nb(OH)6- - 2 H2O = Nb(OH)4+ + log_k 6.64 #97PEI/NGU + delta_h -35.35 #kJ/mol 97PEI/NGU +# Enthalpy of formation: -1389.348 kJ/mol + -analytic 44.69458E-2 00E+0 18.46459E+2 00E+0 00E+0 + +H+ + Nb(OH)6- - H2O = Nb(OH)5 + log_k 5.08 #97PEI/NGU + delta_h -13.39 #kJ/mol 97PEI/NGU +# Enthalpy of formation: -1653.218 kJ/mol + -analytic 27.34173E-1 00E+0 69.94084E+1 00E+0 00E+0 + +- H+ + Nb(OH)6- + H2O = Nb(OH)7-2 + log_k -8.88 #97PEI/NGU + delta_h 10.17 #kJ/mol 97PEI/NGU +# Enthalpy of formation: -2201.318 kJ/mol + -analytic -70.98292E-1 00E+0 -53.12161E+1 00E+0 00E+0 + +5 H+ + Nb(OH)6- + Cit-3 - 4 H2O = NbO2(H3Cit)+ + log_k 25.64 #95AKR/BOU + -analytic 25.64E+0 00E+0 00E+0 00E+0 00E+0 + +3 H+ + Nb(OH)6- + Ox-2 - 4 H2O = NbO2(HOx) + log_k 13.7 #95AKR/BOU + -analytic 13.7E+0 00E+0 00E+0 00E+0 00E+0 + +4 H+ + Nb(OH)6- + 2 Ox-2 - 4 H2O = NbO2(HOx)2- + log_k 20.96 #95AKR/BOU + -analytic 20.96E+0 00E+0 00E+0 00E+0 00E+0 + +2 H+ + Nb(OH)6- + Ox-2 - 4 H2O = NbO2(Ox)- + log_k 10.94 #95AKR/BOU + -analytic 10.94E+0 00E+0 00E+0 00E+0 00E+0 + +H+ + NH3 = NH4+ + log_k 9.24 + delta_h -52.09 #kJ/mol # Enthalpy of formation: -133.260 kJ/mol 92GRE/FUG - -analytic 11.42237E-2 00.00000E+0 27.20850E+2 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000Acetate- = Ni(Acetate)+ - log_k +1.34 #11RIC/GRI - delta_h -8.761 #kJ/mol -# Enthalpy of formation: -549.783 kJ/mol - -analytic -19.48613E-2 00.00000E+0 45.76189E+1 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000Cit-3 = Ni(Cit)- - log_k +6.76 #05HUM/AND - -analytic 67.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +2.000Cit-3 = Ni(Cit)2-4 - log_k +8.50 #05HUM/AND - -analytic 85.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000CO3-2 = Ni(CO3) - log_k +4.20 #03BAE/BRA in 05GAM/BUG - delta_h +3.546 #kJ/mol -# Enthalpy of formation: -726.696 kJ/mol - -analytic 48.21233E-1 00.00000E+0 -18.52205E+1 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +2.000CO3-2 = Ni(CO3)2-2 - log_k +6.20 #03BAE/BRA; Uncertainty 03HUM/CUR - -analytic 62.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000Edta-4 = Ni(Edta)-2 - log_k +20.54 #05HUM/AND - delta_h -26.100 #kJ/mol 05HUM/AND -# Enthalpy of formation: -1785.912 kJ/mol - -analytic 15.96748E+0 00.00000E+0 13.63298E+2 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +2.000H+ +1.000Cit-3 = Ni(H2Cit)+ - log_k +13.19 #05HUM/AND - -analytic 13.19000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000H+ +1.000Cit-3 = Ni(HCit) - log_k +10.52 #05HUM/BER - -analytic 10.52000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000H+ +1.000CO3-2 = Ni(HCO3)+ - log_k +11.73 #03BAE/BRA; Uncertainty 03HUM/CUR - -analytic 11.73000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000H+ +1.000Edta-4 = Ni(HEdta)- - log_k +24.20 #05HUM/AND - -analytic 24.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 -1.000H+ +1.000H2(PO4)- = Ni(HPO4) - log_k -4.16 #05GAM/BUG - -analytic -41.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +2.000HS- = Ni(HS)2 - log_k +11.10 #02HUM/BER - -analytic 11.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000Malonate-2 = Ni(Malonate) - log_k +4.39 #13GRI/CAM - -analytic 43.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +2.000Malonate-2 = Ni(Malonate)2-2 - log_k +8.15 #98KHA/RAD - -analytic 81.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000NH3 = Ni(NH3)+2 - log_k +2.61 #70LET - -analytic 26.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +2.000NH3 = Ni(NH3)2+2 - log_k +4.76 #70LET - -analytic 47.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +3.000NH3 = Ni(NH3)3+2 - log_k +6.79 #70LET - -analytic 67.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +4.000NH3 = Ni(NH3)4+2 - log_k +8.34 #70LET - -analytic 83.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000NO3- = Ni(NO3)+ - log_k +0.50 #05GAM/BUG - -analytic 50.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +2.000NO3- = Ni(NO3)2 - log_k -0.60 #76SMI/MAR in 89BAE/McK; Uncertainty is by analogy with Ni(NO3)+ and is preliminary. - -analytic -60.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000Nta-3 = Ni(Nta)- - log_k +12.75 #95AKR/BOU - -analytic 12.75000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +2.000Nta-3 = Ni(Nta)2-4 - log_k +16.95 #95AKR/BOU - -analytic 16.95000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 -1.000H+ +1.000Edta-4 +1.000H2O = Ni(OH)(Edta)-3 - log_k +6.50 #04FEL/QAF - -analytic 65.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 -1.000H+ +1.000HIsa- +1.000H2O = Ni(OH)(HIsa) - log_k -6.50 #18GON/GAO - -analytic -65.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 -1.000H+ +1.000Nta-3 +1.000H2O = Ni(OH)(Nta)-2 - log_k +1.47 #95AKR/BOU - -analytic 14.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 -1.000H+ +1.000H2O = Ni(OH)+ - log_k -9.54 #05GAM/BUG - delta_h +53.800 #kJ/mol 05GAM/BUG -# Enthalpy of formation: -287.042 kJ/mol - -analytic -11.46446E-2 00.00000E+0 -28.10170E+2 00.00000E+0 00.00000E+0 - -+1.000Ni+2 -2.000H+ +2.000H2O = Ni(OH)2 - log_k -18.00 #49GAY/GAR reevaluated in 05GAM/BUG - -analytic -18.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 -2.000H+ +1.000HIsa- +2.000H2O = Ni(OH)2(HIsa)- - log_k -17.60 #18GON/GAO - -analytic -17.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 -3.000H+ +1.000H2(PO4)- +2.000H2O = Ni(OH)2(HPO4)-2 - log_k -23.24 #95LEM - -analytic -23.24000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 -3.000H+ +1.000HIsa- +3.000H2O = Ni(OH)3(HIsa)-2 - log_k -31.00 #18GON/GAO - -analytic -31.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000Ox-2 = Ni(Ox) - log_k +5.19 #05HUM/AND - delta_h +0.000 #kJ/mol 05HUM/AND -# Enthalpy of formation: -885.672 kJ/mol - -analytic 51.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +2.000Ox-2 = Ni(Ox)2-2 - log_k +7.64 #05HUM/AND - delta_h -7.800 #kJ/mol 05HUM/AND -# Enthalpy of formation: -1724.132 kJ/mol - -analytic 62.73499E-1 00.00000E+0 40.74224E+1 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000Phthalat-2 = Ni(Phthalat) - log_k +3.00 #11GRI/COL2 - -analytic 30.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000Pyrophos-4 = Ni(Pyrophos)-2 - log_k +8.73 #05GAM/BUG - -analytic 87.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000S2O3-2 = Ni(S2O3) - log_k +2.06 #51DEU/HEI in 64SIL/MAR - -analytic 20.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000SeO4-2 = Ni(SeO4) - log_k +2.67 #05OLI/NOL - delta_h -0.680 #kJ/mol -# Enthalpy of formation: -659.192 kJ/mol - -analytic 25.50869E-1 00.00000E+0 35.51887E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000SO4-2 = Ni(SO4) - log_k +2.35 #05GAM/BUG - delta_h +5.660 #kJ/mol 05GAM/BUG -# Enthalpy of formation: -958.692 kJ/mol - -analytic 33.41589E-1 00.00000E+0 -29.56424E+1 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +2.000SO4-2 = Ni(SO4)2-2 - log_k +3.01 #89BAE/McK - -analytic 30.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Ni+2 -1.000H+ +1.000H2O = Ni2(OH)+3 - log_k -10.60 #05GAM/BUG - delta_h +45.900 #kJ/mol 05GAM/BUG -# Enthalpy of formation: -349.954 kJ/mol - -analytic -25.58665E-1 00.00000E+0 -23.97524E+2 00.00000E+0 00.00000E+0 - -+4.000Ni+2 -4.000H+ +4.000H2O = Ni4(OH)4+4 - log_k -27.52 #05GAM/BUG - delta_h +190.000 #kJ/mol 05GAM/BUG -# Enthalpy of formation: -1173.368 kJ/mol - -analytic 57.66571E-1 00.00000E+0 -99.24391E+2 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000Cl- = NiCl+ - log_k +0.08 #05GAM/BUG - -analytic 80.00000E-3 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000F- = NiF+ - log_k +1.43 #05GAM/BUG - delta_h +9.500 #kJ/mol 05GAM/BUG -# Enthalpy of formation: -380.862 kJ/mol - -analytic 30.94329E-1 00.00000E+0 -49.62196E+1 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000H+ +1.000AsO4-3 = NiHAsO4 - log_k +14.50 - -analytic 14.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000H+ +1.000Pyrophos-4 = NiHPyrophos- - log_k +14.54 #05GAM/BUG - -analytic 14.54000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Ni+2 +1.000HS- = NiHS+ - log_k +5.50 #02HUM/BER - -analytic 55.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 +1.000Acetate- = Np(Acetate)+3 - log_k +5.83 #12GRI/GAR2 - -analytic 58.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 +2.000Acetate- = Np(Acetate)2+2 - log_k +10.00 #11RIC/GRI - -analytic 10.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+3 +1.000CO3-2 = Np(CO3)+ - log_k +7.67 #Estimated by correlation with An(III) in function of ionic radii - delta_h +19.064 #kJ/mol -# Enthalpy of formation: -1183.350 kJ/mol - -analytic 11.00987E+0 00.00000E+0 -99.57821E+1 00.00000E+0 00.00000E+0 - -+1.000Np+3 +2.000CO3-2 = Np(CO3)2- - log_k +12.60 #Estimated by correlation with An(III) in function of ionic radii - -analytic 12.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+3 +3.000CO3-2 = Np(CO3)3-3 - log_k +15.66 #01LEM/FUG - -analytic 15.66000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 +4.000CO3-2 = Np(CO3)4-4 - log_k +36.68 #01LEM/FUG - -analytic 36.68000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 +5.000CO3-2 = Np(CO3)5-6 - log_k +35.61 #01LEM/FUG - delta_h -1.595 #kJ/mol -# Enthalpy of formation: -3933.768 kJ/mol - -analytic 35.33057E+0 00.00000E+0 83.31265E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 +1.000Edta-4 = Np(Edta) - log_k +31.20 #05HUM/AND - -analytic 31.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+3 +1.000Edta-4 = Np(Edta)- - log_k +19.90 #Recommended in 05HUM/AND - -analytic 19.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+3 +1.000H2(PO4)- = Np(H2PO4)+2 - log_k +2.39 #Estimated by correlation with An(III) in function of ionic radii. - -analytic 23.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+3 +1.000H+ +1.000Edta-4 = Np(HEdta) - log_k +22.02 #Analogy with Pu(HEdta) - -analytic 22.02000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+3 -1.000H+ +1.000H2(PO4)- = Np(HPO4)+ - log_k -1.88 #Estimated by correlation with An(III) in function of ionic radii - -analytic -18.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+3 -2.000H+ +2.000H2(PO4)- = Np(HPO4)2- - log_k -5.61 #Estimated by correlation with An(III) in function of ionic radii - -analytic -56.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 +1.000NO3- = Np(NO3)+3 - log_k +1.90 #01LEM/FUG - -analytic 19.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+3 +1.000Nta-3 = Np(Nta) - log_k +13.00 #95AKR/BOU - -analytic 13.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 +1.000Nta-3 = Np(Nta)+ - log_k +20.70 #95AKR/BOU - -analytic 20.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+3 -1.000H+ +1.000H2O = Np(OH)+2 - log_k -6.80 #01LEM/FUG - delta_h +36.997 #kJ/mol -# Enthalpy of formation: -776.017 kJ/mol - -analytic -31.84038E-2 00.00000E+0 -19.32488E+2 00.00000E+0 00.00000E+0 - -+1.000Np+4 -1.000H+ +1.000H2O = Np(OH)+3 - log_k +0.55 #03GUI/FAN - delta_h +26.743 #kJ/mol -# Enthalpy of formation: -815.109 kJ/mol - -analytic 52.35172E-1 00.00000E+0 -13.96884E+2 00.00000E+0 00.00000E+0 - -+1.000Np+4 -2.000H+ +2.000CO3-2 +2.000H2O = Np(OH)2(CO3)2-2 - log_k +16.92 #99RAI/HES2 - -analytic 16.92000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+3 -2.000H+ +2.000H2O = Np(OH)2+ - log_k -17.00 #80ALL/KIP - delta_h +103.262 #kJ/mol -# Enthalpy of formation: -995.582 kJ/mol - -analytic 10.90726E-1 00.00000E+0 -53.93750E+2 00.00000E+0 00.00000E+0 - -+1.000Np+4 -2.000H+ +2.000H2O = Np(OH)2+2 - log_k +0.35 #03GUI/FAN - delta_h +44.742 #kJ/mol -# Enthalpy of formation: -1082.939 kJ/mol - -analytic 81.88462E-1 00.00000E+0 -23.37037E+2 00.00000E+0 00.00000E+0 - -+1.000Np+4 -2.000H+ +1.000Edta-4 +2.000H2O = Np(OH)2Edta-2 - log_k +18.24 #23ROD/COL - -analytic 18.24000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+3 -3.000H+ +3.000H2O = Np(OH)3 - log_k -27.00 #80ALL/KIP - delta_h +159.163 #kJ/mol -# Enthalpy of formation: -1225.510 kJ/mol - -analytic 88.41606E-2 00.00000E+0 -83.13662E+2 00.00000E+0 00.00000E+0 - -+1.000Np+4 -3.000H+ +3.000H2O = Np(OH)3+ - log_k -2.80 #01NEC/KIM, 99NEC - delta_h +70.765 #kJ/mol -# Enthalpy of formation: -1342.745 kJ/mol - -analytic 95.97496E-1 00.00000E+0 -36.96313E+2 00.00000E+0 00.00000E+0 - -+1.000Np+4 -3.000H+ +1.000Edta-4 +3.000H2O = Np(OH)3Edta-3 - log_k +8.62 #23ROD/COL - -analytic 86.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 -4.000H+ +4.000H2O = Np(OH)4 - log_k -8.30 #20GRE/GAO - delta_h +100.980 #kJ/mol -# Enthalpy of formation: -1598.360 kJ/mol - -analytic 93.90937E-1 00.00000E+0 -52.74553E+2 00.00000E+0 00.00000E+0 - -+1.000Np+4 -4.000H+ +1.000HGlu- +4.000H2O = Np(OH)4(HGlu)- - log_k -5.89 #Analogy with An(IV)-ISA - -analytic -58.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 -4.000H+ +2.000HGlu- +4.000H2O = Np(OH)4(HGlu)2-2 - log_k -3.69 #Analogy with An(IV)-ISA - -analytic -36.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 -4.000H+ +1.000HIsa- +4.000H2O = Np(OH)4(HIsa)- - log_k -5.89 #23ROD/COL - -analytic -58.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 -4.000H+ +2.000HIsa- +4.000H2O = Np(OH)4(HIsa)2-2 - log_k -3.69 #23ROD/COL - -analytic -36.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 -1.000H+ +1.000Edta-4 +1.000H2O = Np(OH)Edta- - log_k +23.73 #23ROD/COL - -analytic 23.73000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 +1.000Ox-2 = Np(Ox)+2 - log_k +11.16 #12GRI/GAR2 - -analytic 11.16000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 +2.000Ox-2 = Np(Ox)2 - log_k +19.94 #12GRI/GAR2 - -analytic 19.94000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 +3.000Ox-2 = Np(Ox)3-2 - log_k +25.19 #12GRI/GAR2 - -analytic 25.19000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+3 -2.000H+ +1.000H2(PO4)- = Np(PO4) - log_k -8.07 #Estimated by correlation with An(III) in function of ionic radii - -analytic -80.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+3 -4.000H+ +2.000H2(PO4)- = Np(PO4)2-3 - log_k -20.03 #Estimated by correlation with An(III) in function of ionic radii - -analytic -20.03000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+3 +1.000SO4-2 = Np(SO4)+ - log_k +3.72 #Estimated by correlation with An(III) in function of ionic radii - delta_h +21.188 #kJ/mol -# Enthalpy of formation: -1415.336 kJ/mol - -analytic 74.31978E-1 00.00000E+0 -11.06726E+2 00.00000E+0 00.00000E+0 - -+1.000Np+4 +1.000SO4-2 = Np(SO4)+2 - log_k +6.85 #01LEM/FUG - delta_h +29.840 #kJ/mol 01LEM/FUG -# Enthalpy of formation: -1435.522 kJ/mol - -analytic 12.07774E+0 00.00000E+0 -15.58652E+2 00.00000E+0 00.00000E+0 - -+1.000Np+4 +2.000SO4-2 = Np(SO4)2 - log_k +11.05 #01LEM/FUG - delta_h +55.380 #kJ/mol 01LEM/FUG -# Enthalpy of formation: -2319.322 kJ/mol - -analytic 20.75216E+0 00.00000E+0 -28.92699E+2 00.00000E+0 00.00000E+0 - -+1.000Np+3 +2.000SO4-2 = Np(SO4)2- - log_k +5.16 #Estimated by correlation with An(III) in function of ionic radii - -analytic 51.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 +1.000Br- = NpBr+3 - log_k +1.55 #Estimated by correlation with An(IV) in function of ionic radii - -analytic 15.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 +1.000Cl- = NpCl+3 - log_k +1.50 #01LEM/FUG - delta_h +24.173 #kJ/mol -# Enthalpy of formation: -698.928 kJ/mol - -analytic 57.34928E-1 00.00000E+0 -12.62644E+2 00.00000E+0 00.00000E+0 - -+1.000Np+4 +1.000F- = NpF+3 - log_k +8.96 #01LEM/FUG - delta_h +1.500 #kJ/mol 01LEM/FUG -# Enthalpy of formation: -889.872 kJ/mol - -analytic 92.22789E-1 00.00000E+0 -78.35046E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 +2.000F- = NpF2+2 - log_k +15.70 #01LEM/FUG - delta_h +15.928 #kJ/mol -# Enthalpy of formation: -1210.793 kJ/mol - -analytic 18.49047E+0 00.00000E+0 -83.19774E+1 00.00000E+0 00.00000E+0 - -+1.000Np+4 +3.000F- = NpF3+ - log_k +20.05 #01LEM/FUG - -analytic 20.05000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 +4.000F- = NpF4 - log_k +25.95 #01LEM/FUG - -analytic 25.95000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Np+4 +1.000I- = NpI+3 - log_k +1.50 #01LEM/FUG - -analytic 15.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +1.000Acetate- = NpO2(Acetate) - log_k +1.32 #11RIC/GRI - -analytic 13.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +2.000Acetate- = NpO2(Acetate)2- - log_k +3.42 #09TAK/TAK - -analytic 34.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +3.000Acetate- = NpO2(Acetate)3-2 - log_k +3.57 #09TAK/TAK - -analytic 35.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +1.000Cit-3 = NpO2(Cit)-2 - log_k +3.68 #05HUM/AND - -analytic 36.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +1.000CO3-2 = NpO2(CO3)- - log_k +4.96 #01LEM/FUG - delta_h +59.912 #kJ/mol -# Enthalpy of formation: -1593.499 kJ/mol - -analytic 15.45613E+0 00.00000E+0 -31.29422E+2 00.00000E+0 00.00000E+0 - -+1.000NpO2+2 -2.000H+ +1.000CO3-2 +2.000H2O = NpO2(CO3)(OH)2-2 - log_k -7.69 #99CHO/BRO - -analytic -76.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+2 +2.000CO3-2 = NpO2(CO3)2-2 - log_k +15.00 #Upper limit value in 20GRE/GAO - -analytic 15.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +2.000CO3-2 = NpO2(CO3)2-3 - log_k +6.53 #01LEM/FUG - delta_h +39.024 #kJ/mol -# Enthalpy of formation: -2289.617 kJ/mol - -analytic 13.36671E+0 00.00000E+0 -20.38365E+2 00.00000E+0 00.00000E+0 - -+1.000NpO2+ -1.000H+ +2.000CO3-2 +1.000H2O = NpO2(CO3)2OH-4 - log_k -5.31 #01LEM/FUG - -analytic -53.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+2 +3.000CO3-2 = NpO2(CO3)3-4 - log_k +19.90 #20GRE/GAO - delta_h -41.900 #kJ/mol 01LEM/FUG -# Enthalpy of formation: -2928.323 kJ/mol - -analytic 12.55944E+0 00.00000E+0 21.88589E+2 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +3.000CO3-2 = NpO2(CO3)3-5 - log_k +5.50 - delta_h -13.249 #kJ/mol + -analytic 11.42237E-2 00E+0 27.2085E+2 00E+0 00E+0 + +Ni+2 + Acetate- = Ni(Acetate)+ + log_k 1.34 #11RIC/GRI + delta_h -8.761 #kJ/mol +# Enthalpy of formation: -549.783 kJ/mol + -analytic -19.48613E-2 00E+0 45.76189E+1 00E+0 00E+0 + +Ni+2 + Cit-3 = Ni(Cit)- + log_k 6.76 #05HUM/AND + -analytic 67.6E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + 2 Cit-3 = Ni(Cit)2-4 + log_k 8.5 #05HUM/AND + -analytic 85E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + CO3-2 = Ni(CO3) + log_k 4.2 #03BAE/BRA in 05GAM/BUG + delta_h 3.546 #kJ/mol +# Enthalpy of formation: -726.696 kJ/mol + -analytic 48.21233E-1 00E+0 -18.52205E+1 00E+0 00E+0 + +Ni+2 + 2 CO3-2 = Ni(CO3)2-2 + log_k 6.2 #03BAE/BRA; Uncertainty 03HUM/CUR + -analytic 62E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + Edta-4 = Ni(Edta)-2 + log_k 20.54 #05HUM/AND + delta_h -26.1 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1785.912 kJ/mol + -analytic 15.96748E+0 00E+0 13.63298E+2 00E+0 00E+0 + +Ni+2 + 2 H+ + Cit-3 = Ni(H2Cit)+ + log_k 13.19 #05HUM/AND + -analytic 13.19E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + H+ + Cit-3 = Ni(HCit) + log_k 10.52 #05HUM/BER + -analytic 10.52E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + H+ + CO3-2 = Ni(HCO3)+ + log_k 11.73 #03BAE/BRA; Uncertainty 03HUM/CUR + -analytic 11.73E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + H+ + Edta-4 = Ni(HEdta)- + log_k 24.2 #05HUM/AND + -analytic 24.2E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 - H+ + H2(PO4)- = Ni(HPO4) + log_k -4.16 #05GAM/BUG + -analytic -41.6E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + 2 HS- = Ni(HS)2 + log_k 11.1 #02HUM/BER + -analytic 11.1E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + Malonate-2 = Ni(Malonate) + log_k 4.39 #13GRI/CAM + -analytic 43.9E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + 2 Malonate-2 = Ni(Malonate)2-2 + log_k 8.15 #98KHA/RAD + -analytic 81.5E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + NH3 = Ni(NH3)+2 + log_k 2.61 #70LET + -analytic 26.1E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + 2 NH3 = Ni(NH3)2+2 + log_k 4.76 #70LET + -analytic 47.6E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + 3 NH3 = Ni(NH3)3+2 + log_k 6.79 #70LET + -analytic 67.9E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + 4 NH3 = Ni(NH3)4+2 + log_k 8.34 #70LET + -analytic 83.4E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + NO3- = Ni(NO3)+ + log_k 0.5 #05GAM/BUG + -analytic 50E-2 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + 2 NO3- = Ni(NO3)2 + log_k -0.6 #76SMI/MAR in 89BAE/McK; Uncertainty is by analogy with Ni(NO3)+ and is preliminary. + -analytic -60E-2 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + Nta-3 = Ni(Nta)- + log_k 12.75 #95AKR/BOU + -analytic 12.75E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + 2 Nta-3 = Ni(Nta)2-4 + log_k 16.95 #95AKR/BOU + -analytic 16.95E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 - H+ + Edta-4 + H2O = Ni(OH)(Edta)-3 + log_k 6.5 #04FEL/QAF + -analytic 65E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 - H+ + HIsa- + H2O = Ni(OH)(HIsa) + log_k -6.5 #18GON/GAO + -analytic -65E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 - H+ + Nta-3 + H2O = Ni(OH)(Nta)-2 + log_k 1.47 #95AKR/BOU + -analytic 14.7E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 - H+ + H2O = Ni(OH)+ + log_k -9.54 #05GAM/BUG + delta_h 53.8 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -287.042 kJ/mol + -analytic -11.46446E-2 00E+0 -28.1017E+2 00E+0 00E+0 + +Ni+2 - 2 H+ + 2 H2O = Ni(OH)2 + log_k -18 #49GAY/GAR reevaluated in 05GAM/BUG + -analytic -18E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 - 2 H+ + HIsa- + 2 H2O = Ni(OH)2(HIsa)- + log_k -17.6 #18GON/GAO + -analytic -17.6E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 - 3 H+ + H2(PO4)- + 2 H2O = Ni(OH)2(HPO4)-2 + log_k -23.24 #95LEM + -analytic -23.24E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 - 3 H+ + HIsa- + 3 H2O = Ni(OH)3(HIsa)-2 + log_k -31 #18GON/GAO + -analytic -31E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + Ox-2 = Ni(Ox) + log_k 5.19 #05HUM/AND + delta_h 0 #kJ/mol 05HUM/AND +# Enthalpy of formation: -885.672 kJ/mol + -analytic 51.9E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + 2 Ox-2 = Ni(Ox)2-2 + log_k 7.64 #05HUM/AND + delta_h -7.8 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1724.132 kJ/mol + -analytic 62.73499E-1 00E+0 40.74224E+1 00E+0 00E+0 + +Ni+2 + Phthalat-2 = Ni(Phthalat) + log_k 3 #11GRI/COL2 + -analytic 30E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + Pyrophos-4 = Ni(Pyrophos)-2 + log_k 8.73 #05GAM/BUG + -analytic 87.3E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + S2O3-2 = Ni(S2O3) + log_k 2.06 #51DEU/HEI in 64SIL/MAR + -analytic 20.6E-1 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + SeO4-2 = Ni(SeO4) + log_k 2.67 #05OLI/NOL + delta_h -0.68 #kJ/mol +# Enthalpy of formation: -659.192 kJ/mol + -analytic 25.50869E-1 00E+0 35.51887E+0 00E+0 00E+0 + +Ni+2 + SO4-2 = Ni(SO4) + log_k 2.35 #05GAM/BUG + delta_h 5.66 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -958.692 kJ/mol + -analytic 33.41589E-1 00E+0 -29.56424E+1 00E+0 00E+0 + +Ni+2 + 2 SO4-2 = Ni(SO4)2-2 + log_k 3.01 #89BAE/McK + -analytic 30.1E-1 00E+0 00E+0 00E+0 00E+0 + +2 Ni+2 - H+ + H2O = Ni2(OH)+3 + log_k -10.6 #05GAM/BUG + delta_h 45.9 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -349.954 kJ/mol + -analytic -25.58665E-1 00E+0 -23.97524E+2 00E+0 00E+0 + +4 Ni+2 - 4 H+ + 4 H2O = Ni4(OH)4+4 + log_k -27.52 #05GAM/BUG + delta_h 190 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -1173.368 kJ/mol + -analytic 57.66571E-1 00E+0 -99.24391E+2 00E+0 00E+0 + +Ni+2 + Cl- = NiCl+ + log_k 0.08 #05GAM/BUG + -analytic 80E-3 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + F- = NiF+ + log_k 1.43 #05GAM/BUG + delta_h 9.5 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -380.862 kJ/mol + -analytic 30.94329E-1 00E+0 -49.62196E+1 00E+0 00E+0 + +Ni+2 + H+ + AsO4-3 = NiHAsO4 + log_k 14.5 + -analytic 14.5E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + H+ + Pyrophos-4 = NiHPyrophos- + log_k 14.54 #05GAM/BUG + -analytic 14.54E+0 00E+0 00E+0 00E+0 00E+0 + +Ni+2 + HS- = NiHS+ + log_k 5.5 #02HUM/BER + -analytic 55E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 + Acetate- = Np(Acetate)+3 + log_k 5.83 #12GRI/GAR2 + -analytic 58.3E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 + 2 Acetate- = Np(Acetate)2+2 + log_k 10 #11RIC/GRI + -analytic 10E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 + CO3-2 = Np(CO3)+ + log_k 7.67 #Estimated by correlation with An(III) in function of ionic radii + delta_h 19.064 #kJ/mol +# Enthalpy of formation: -1183.350 kJ/mol + -analytic 11.00987E+0 00E+0 -99.57821E+1 00E+0 00E+0 + +Np+3 + 2 CO3-2 = Np(CO3)2- + log_k 12.6 #Estimated by correlation with An(III) in function of ionic radii + -analytic 12.6E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 + 3 CO3-2 = Np(CO3)3-3 + log_k 15.66 #01LEM/FUG + -analytic 15.66E+0 00E+0 00E+0 00E+0 00E+0 + +Np+4 + 4 CO3-2 = Np(CO3)4-4 + log_k 36.68 #01LEM/FUG + -analytic 36.68E+0 00E+0 00E+0 00E+0 00E+0 + +Np+4 + 5 CO3-2 = Np(CO3)5-6 + log_k 35.61 #01LEM/FUG + delta_h -1.595 #kJ/mol +# Enthalpy of formation: -3933.768 kJ/mol + -analytic 35.33057E+0 00E+0 83.31265E+0 00E+0 00E+0 + +Np+4 + Edta-4 = Np(Edta) + log_k 31.2 #05HUM/AND + -analytic 31.2E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 + Edta-4 = Np(Edta)- + log_k 19.9 #Recommended in 05HUM/AND + -analytic 19.9E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 + H2(PO4)- = Np(H2PO4)+2 + log_k 2.39 #Estimated by correlation with An(III) in function of ionic radii. + -analytic 23.9E-1 00E+0 00E+0 00E+0 00E+0 + +Np+3 + H+ + Edta-4 = Np(HEdta) + log_k 22.02 #Analogy with Pu(HEdta) + -analytic 22.02E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 - H+ + H2(PO4)- = Np(HPO4)+ + log_k -1.88 #Estimated by correlation with An(III) in function of ionic radii + -analytic -18.8E-1 00E+0 00E+0 00E+0 00E+0 + +Np+3 - 2 H+ + 2 H2(PO4)- = Np(HPO4)2- + log_k -5.61 #Estimated by correlation with An(III) in function of ionic radii + -analytic -56.1E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 + NO3- = Np(NO3)+3 + log_k 1.9 #01LEM/FUG + -analytic 19E-1 00E+0 00E+0 00E+0 00E+0 + +Np+3 + Nta-3 = Np(Nta) + log_k 13 #95AKR/BOU + -analytic 13E+0 00E+0 00E+0 00E+0 00E+0 + +Np+4 + Nta-3 = Np(Nta)+ + log_k 20.7 #95AKR/BOU + -analytic 20.7E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 - H+ + H2O = Np(OH)+2 + log_k -6.8 #01LEM/FUG + delta_h 36.997 #kJ/mol +# Enthalpy of formation: -776.017 kJ/mol + -analytic -31.84038E-2 00E+0 -19.32488E+2 00E+0 00E+0 + +Np+4 - H+ + H2O = Np(OH)+3 + log_k 0.55 #03GUI/FAN + delta_h 26.743 #kJ/mol +# Enthalpy of formation: -815.109 kJ/mol + -analytic 52.35172E-1 00E+0 -13.96884E+2 00E+0 00E+0 + +Np+4 - 2 H+ + 2 CO3-2 + 2 H2O = Np(OH)2(CO3)2-2 + log_k 16.92 #99RAI/HES2 + -analytic 16.92E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 - 2 H+ + 2 H2O = Np(OH)2+ + log_k -17 #80ALL/KIP + delta_h 103.262 #kJ/mol +# Enthalpy of formation: -995.582 kJ/mol + -analytic 10.90726E-1 00E+0 -53.9375E+2 00E+0 00E+0 + +Np+4 - 2 H+ + 2 H2O = Np(OH)2+2 + log_k 0.35 #03GUI/FAN + delta_h 44.742 #kJ/mol +# Enthalpy of formation: -1082.939 kJ/mol + -analytic 81.88462E-1 00E+0 -23.37037E+2 00E+0 00E+0 + +Np+4 - 2 H+ + Edta-4 + 2 H2O = Np(OH)2Edta-2 + log_k 18.24 #23ROD/COL + -analytic 18.24E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 - 3 H+ + 3 H2O = Np(OH)3 + log_k -27 #80ALL/KIP + delta_h 159.163 #kJ/mol +# Enthalpy of formation: -1225.510 kJ/mol + -analytic 88.41606E-2 00E+0 -83.13662E+2 00E+0 00E+0 + +Np+4 - 3 H+ + 3 H2O = Np(OH)3+ + log_k -2.8 #01NEC/KIM, 99NEC + delta_h 70.765 #kJ/mol +# Enthalpy of formation: -1342.745 kJ/mol + -analytic 95.97496E-1 00E+0 -36.96313E+2 00E+0 00E+0 + +Np+4 - 3 H+ + Edta-4 + 3 H2O = Np(OH)3Edta-3 + log_k 8.62 #23ROD/COL + -analytic 86.2E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 - 4 H+ + 4 H2O = Np(OH)4 + log_k -8.3 #20GRE/GAO + delta_h 100.98 #kJ/mol +# Enthalpy of formation: -1598.360 kJ/mol + -analytic 93.90937E-1 00E+0 -52.74553E+2 00E+0 00E+0 + +Np+4 - 4 H+ + HGlu- + 4 H2O = Np(OH)4(HGlu)- + log_k -5.89 #Analogy with An(IV)-ISA + -analytic -58.9E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 - 4 H+ + 2 HGlu- + 4 H2O = Np(OH)4(HGlu)2-2 + log_k -3.69 #Analogy with An(IV)-ISA + -analytic -36.9E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 - 4 H+ + HIsa- + 4 H2O = Np(OH)4(HIsa)- + log_k -5.89 #23ROD/COL + -analytic -58.9E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 - 4 H+ + 2 HIsa- + 4 H2O = Np(OH)4(HIsa)2-2 + log_k -3.69 #23ROD/COL + -analytic -36.9E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 - H+ + Edta-4 + H2O = Np(OH)Edta- + log_k 23.73 #23ROD/COL + -analytic 23.73E+0 00E+0 00E+0 00E+0 00E+0 + +Np+4 + Ox-2 = Np(Ox)+2 + log_k 11.16 #12GRI/GAR2 + -analytic 11.16E+0 00E+0 00E+0 00E+0 00E+0 + +Np+4 + 2 Ox-2 = Np(Ox)2 + log_k 19.94 #12GRI/GAR2 + -analytic 19.94E+0 00E+0 00E+0 00E+0 00E+0 + +Np+4 + 3 Ox-2 = Np(Ox)3-2 + log_k 25.19 #12GRI/GAR2 + -analytic 25.19E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 - 2 H+ + H2(PO4)- = Np(PO4) + log_k -8.07 #Estimated by correlation with An(III) in function of ionic radii + -analytic -80.7E-1 00E+0 00E+0 00E+0 00E+0 + +Np+3 - 4 H+ + 2 H2(PO4)- = Np(PO4)2-3 + log_k -20.03 #Estimated by correlation with An(III) in function of ionic radii + -analytic -20.03E+0 00E+0 00E+0 00E+0 00E+0 + +Np+3 + SO4-2 = Np(SO4)+ + log_k 3.72 #Estimated by correlation with An(III) in function of ionic radii + delta_h 21.188 #kJ/mol +# Enthalpy of formation: -1415.336 kJ/mol + -analytic 74.31978E-1 00E+0 -11.06726E+2 00E+0 00E+0 + +Np+4 + SO4-2 = Np(SO4)+2 + log_k 6.85 #01LEM/FUG + delta_h 29.84 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -1435.522 kJ/mol + -analytic 12.07774E+0 00E+0 -15.58652E+2 00E+0 00E+0 + +Np+4 + 2 SO4-2 = Np(SO4)2 + log_k 11.05 #01LEM/FUG + delta_h 55.38 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -2319.322 kJ/mol + -analytic 20.75216E+0 00E+0 -28.92699E+2 00E+0 00E+0 + +Np+3 + 2 SO4-2 = Np(SO4)2- + log_k 5.16 #Estimated by correlation with An(III) in function of ionic radii + -analytic 51.6E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 + Br- = NpBr+3 + log_k 1.55 #Estimated by correlation with An(IV) in function of ionic radii + -analytic 15.5E-1 00E+0 00E+0 00E+0 00E+0 + +Np+4 + Cl- = NpCl+3 + log_k 1.5 #01LEM/FUG + delta_h 24.173 #kJ/mol +# Enthalpy of formation: -698.928 kJ/mol + -analytic 57.34928E-1 00E+0 -12.62644E+2 00E+0 00E+0 + +Np+4 + F- = NpF+3 + log_k 8.96 #01LEM/FUG + delta_h 1.5 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -889.872 kJ/mol + -analytic 92.22789E-1 00E+0 -78.35046E+0 00E+0 00E+0 + +Np+4 + 2 F- = NpF2+2 + log_k 15.7 #01LEM/FUG + delta_h 15.928 #kJ/mol +# Enthalpy of formation: -1210.793 kJ/mol + -analytic 18.49047E+0 00E+0 -83.19774E+1 00E+0 00E+0 + +Np+4 + 3 F- = NpF3+ + log_k 20.05 #01LEM/FUG + -analytic 20.05E+0 00E+0 00E+0 00E+0 00E+0 + +Np+4 + 4 F- = NpF4 + log_k 25.95 #01LEM/FUG + -analytic 25.95E+0 00E+0 00E+0 00E+0 00E+0 + +Np+4 + I- = NpI+3 + log_k 1.5 #01LEM/FUG + -analytic 15E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + Acetate- = NpO2(Acetate) + log_k 1.32 #11RIC/GRI + -analytic 13.2E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + 2 Acetate- = NpO2(Acetate)2- + log_k 3.42 #09TAK/TAK + -analytic 34.2E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + 3 Acetate- = NpO2(Acetate)3-2 + log_k 3.57 #09TAK/TAK + -analytic 35.7E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + Cit-3 = NpO2(Cit)-2 + log_k 3.68 #05HUM/AND + -analytic 36.8E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + CO3-2 = NpO2(CO3)- + log_k 4.96 #01LEM/FUG + delta_h 59.912 #kJ/mol +# Enthalpy of formation: -1593.499 kJ/mol + -analytic 15.45613E+0 00E+0 -31.29422E+2 00E+0 00E+0 + +NpO2+2 - 2 H+ + CO3-2 + 2 H2O = NpO2(CO3)(OH)2-2 + log_k -7.69 #99CHO/BRO + -analytic -76.9E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+2 + 2 CO3-2 = NpO2(CO3)2-2 + log_k 15 #Upper limit value in 20GRE/GAO + -analytic 15E+0 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + 2 CO3-2 = NpO2(CO3)2-3 + log_k 6.53 #01LEM/FUG + delta_h 39.024 #kJ/mol +# Enthalpy of formation: -2289.617 kJ/mol + -analytic 13.36671E+0 00E+0 -20.38365E+2 00E+0 00E+0 + +NpO2+ - H+ + 2 CO3-2 + H2O = NpO2(CO3)2OH-4 + log_k -5.31 #01LEM/FUG + -analytic -53.1E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+2 + 3 CO3-2 = NpO2(CO3)3-4 + log_k 19.9 #20GRE/GAO + delta_h -41.9 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -2928.323 kJ/mol + -analytic 12.55944E+0 00E+0 21.88589E+2 00E+0 00E+0 + +NpO2+ + 3 CO3-2 = NpO2(CO3)3-5 + log_k 5.5 + delta_h -13.249 #kJ/mol # Enthalpy of formation: -3017.120 kJ/mol 01LEM/FUG - -analytic 31.78875E-1 00.00000E+0 69.20435E+1 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +1.000Edta-4 = NpO2(Edta)-3 - log_k +9.23 #05HUM/AND - -analytic 92.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +2.000H+ +1.000Edta-4 = NpO2(H2Edta)- - log_k +22.51 #05HUM/AND - -analytic 22.51000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +1.000H2(PO4)- = NpO2(H2PO4) - log_k +1.40 #20GRE/GAO - -analytic 14.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +1.000H+ +1.000Edta-4 = NpO2(HEdta)-2 - log_k +17.06 #05HUM/AND - -analytic 17.06000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +1.000HGlu- = NpO2(HGlu) - log_k +1.68 #06ZHA/CLA - -analytic 16.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +2.000HGlu- = NpO2(HGlu)2- - log_k +2.39 #06ZHA/CLA - -analytic 23.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +1.000H+ +1.000Nta-3 = NpO2(HNta)- - log_k +11.70 #95AKR/BOU - -analytic 11.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+2 -1.000H+ +1.000H2(PO4)- = NpO2(HPO4) - log_k -1.01 #01LEM/FUG - delta_h +92.195 #kJ/mol -# Enthalpy of formation: -2071.137 kJ/mol - -analytic 15.14187E+0 00.00000E+0 -48.15680E+2 00.00000E+0 00.00000E+0 - -+1.000NpO2+ -1.000H+ +1.000H2(PO4)- = NpO2(HPO4)- - log_k -4.26 #20GRE/GAO - delta_h -7.400 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -2288.181 kJ/mol - -analytic -55.56424E-1 00.00000E+0 38.65289E+1 00.00000E+0 00.00000E+0 - -+1.000NpO2+2 -2.000H+ +2.000H2(PO4)- = NpO2(HPO4)2-2 - log_k -4.92 #01LEM/FUG - -analytic -49.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+2 +1.000NO3- = NpO2(NO3)+ - log_k +0.10 #12GRI/GAR2 in analogy to UO2(NO3)+ - -analytic 10.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +1.000Nta-3 = NpO2(Nta)-2 - log_k +7.46 #95AKR/BOU - -analytic 74.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+ -1.000H+ +1.000H2O = NpO2(OH) - log_k -11.30 #01LEM/FUG - delta_h +64.785 #kJ/mol -# Enthalpy of formation: -1199.226 kJ/mol - -analytic 49.84480E-3 00.00000E+0 -33.83956E+2 00.00000E+0 00.00000E+0 - -+1.000NpO2+2 -1.000H+ +1.000H2O = NpO2(OH)+ - log_k -5.10 #01LEM/FUG - delta_h +42.956 #kJ/mol -# Enthalpy of formation: -1103.606 kJ/mol - -analytic 24.25568E-1 00.00000E+0 -22.43748E+2 00.00000E+0 00.00000E+0 - -+1.000NpO2+2 -2.000H+ +2.000H2O = NpO2(OH)2 - log_k -12.21 #Estimated by correlation with An(VI) in funciton of ionic radii - -analytic -12.21000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+ -2.000H+ +2.000H2O = NpO2(OH)2- - log_k -23.60 #01LEM/FUG - delta_h +118.610 #kJ/mol -# Enthalpy of formation: -1431.230 kJ/mol - -analytic -28.20420E-1 00.00000E+0 -61.95432E+2 00.00000E+0 00.00000E+0 - -+1.000NpO2+2 -3.000H+ +3.000H2O = NpO2(OH)3- - log_k -21.20 #20GRE/GAO - -analytic -21.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+2 -4.000H+ +4.000H2O = NpO2(OH)4-2 - log_k -32.00 #20GRE/GAO - -analytic -32.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +1.000Ox-2 = NpO2(Ox)- - log_k +3.90 #05HUM/AND - delta_h -1.300 #kJ/mol 20MAI/TRU -# Enthalpy of formation: -1810.141 kJ/mol - -analytic 36.72250E-1 00.00000E+0 67.90373E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +2.000Ox-2 = NpO2(Ox)2-3 - log_k +5.80 #05HUM/AND - delta_h -8.700 #kJ/mol 20MAI/TRU -# Enthalpy of formation: -2648.201 kJ/mol - -analytic 42.75825E-1 00.00000E+0 45.44326E+1 00.00000E+0 00.00000E+0 - -+1.000NpO2+2 +1.000SO4-2 = NpO2(SO4) - log_k +3.28 #01LEM/FUG - delta_h +16.700 #kJ/mol 01LEM/FUG -# Enthalpy of formation: -1753.373 kJ/mol - -analytic 62.05714E-1 00.00000E+0 -87.23018E+1 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +1.000SO4-2 = NpO2(SO4)- - log_k +1.30 #20GRE/GAO - delta_h +22.000 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -1865.521 kJ/mol - -analytic 51.54235E-1 00.00000E+0 -11.49140E+2 00.00000E+0 00.00000E+0 - -+1.000NpO2+2 +2.000SO4-2 = NpO2(SO4)2-2 - log_k +4.70 #01LEM/FUG - delta_h +26.000 #kJ/mol 01LEM/FUG -# Enthalpy of formation: -2653.413 kJ/mol - -analytic 92.55004E-1 00.00000E+0 -13.58075E+2 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +1.000Cl- = NpO2Cl - log_k -0.93 #94NEC/KIM - delta_h +25.971 #kJ/mol -# Enthalpy of formation: -1119.289 kJ/mol - -analytic 36.19924E-1 00.00000E+0 -13.56560E+2 00.00000E+0 00.00000E+0 - -+1.000NpO2+2 +1.000Cl- = NpO2Cl+ - log_k +0.40 #01LEM/FUG - delta_h +8.387 #kJ/mol -# Enthalpy of formation: -1019.426 kJ/mol - -analytic 18.69339E-1 00.00000E+0 -43.80835E+1 00.00000E+0 00.00000E+0 - -+1.000NpO2+2 +1.000CO3-2 = NpO2CO3 - log_k +9.86 #20GRE/GAO - -analytic 98.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +1.000F- = NpO2F - log_k +1.40 #20GRE/GAO - -analytic 14.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+2 +1.000F- = NpO2F+ - log_k +4.57 #01LEM/FUG - delta_h +1.400 #kJ/mol -# Enthalpy of formation: -1194.682 kJ/mol - -analytic 48.15269E-1 00.00000E+0 -73.12709E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+2 +2.000F- = NpO2F2 - log_k +7.60 #01LEM/FUG - delta_h +4.320 #kJ/mol -# Enthalpy of formation: -1527.113 kJ/mol - -analytic 83.56832E-1 00.00000E+0 -22.56493E+1 00.00000E+0 00.00000E+0 - -+1.000NpO2+ +2.000F- = NpO2F2- - log_k +1.90 #20GRE/GAO - -analytic 19.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NpO2+2 +1.000H2(PO4)- = NpO2H2PO4+ - log_k +3.32 #01LEM/FUG - -analytic 33.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000H2O = OH- - log_k -14.00 - delta_h +55.815 #kJ/mol + -analytic 31.78875E-1 00E+0 69.20435E+1 00E+0 00E+0 + +NpO2+ + Edta-4 = NpO2(Edta)-3 + log_k 9.23 #05HUM/AND + -analytic 92.3E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + 2 H+ + Edta-4 = NpO2(H2Edta)- + log_k 22.51 #05HUM/AND + -analytic 22.51E+0 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + H2(PO4)- = NpO2(H2PO4) + log_k 1.4 #20GRE/GAO + -analytic 14E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + H+ + Edta-4 = NpO2(HEdta)-2 + log_k 17.06 #05HUM/AND + -analytic 17.06E+0 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + HGlu- = NpO2(HGlu) + log_k 1.68 #06ZHA/CLA + -analytic 16.8E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + 2 HGlu- = NpO2(HGlu)2- + log_k 2.39 #06ZHA/CLA + -analytic 23.9E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + H+ + Nta-3 = NpO2(HNta)- + log_k 11.7 #95AKR/BOU + -analytic 11.7E+0 00E+0 00E+0 00E+0 00E+0 + +NpO2+2 - H+ + H2(PO4)- = NpO2(HPO4) + log_k -1.01 #01LEM/FUG + delta_h 92.195 #kJ/mol +# Enthalpy of formation: -2071.137 kJ/mol + -analytic 15.14187E+0 00E+0 -48.1568E+2 00E+0 00E+0 + +NpO2+ - H+ + H2(PO4)- = NpO2(HPO4)- + log_k -4.26 #20GRE/GAO + delta_h -7.4 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2288.181 kJ/mol + -analytic -55.56424E-1 00E+0 38.65289E+1 00E+0 00E+0 + +NpO2+2 - 2 H+ + 2 H2(PO4)- = NpO2(HPO4)2-2 + log_k -4.92 #01LEM/FUG + -analytic -49.2E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+2 + NO3- = NpO2(NO3)+ + log_k 0.1 #12GRI/GAR2 in analogy to UO2(NO3)+ + -analytic 10E-2 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + Nta-3 = NpO2(Nta)-2 + log_k 7.46 #95AKR/BOU + -analytic 74.6E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ - H+ + H2O = NpO2(OH) + log_k -11.3 #01LEM/FUG + delta_h 64.785 #kJ/mol +# Enthalpy of formation: -1199.226 kJ/mol + -analytic 49.8448E-3 00E+0 -33.83956E+2 00E+0 00E+0 + +NpO2+2 - H+ + H2O = NpO2(OH)+ + log_k -5.1 #01LEM/FUG + delta_h 42.956 #kJ/mol +# Enthalpy of formation: -1103.606 kJ/mol + -analytic 24.25568E-1 00E+0 -22.43748E+2 00E+0 00E+0 + +NpO2+2 - 2 H+ + 2 H2O = NpO2(OH)2 + log_k -12.21 #Estimated by correlation with An(VI) in funciton of ionic radii + -analytic -12.21E+0 00E+0 00E+0 00E+0 00E+0 + +NpO2+ - 2 H+ + 2 H2O = NpO2(OH)2- + log_k -23.6 #01LEM/FUG + delta_h 118.61 #kJ/mol +# Enthalpy of formation: -1431.230 kJ/mol + -analytic -28.2042E-1 00E+0 -61.95432E+2 00E+0 00E+0 + +NpO2+2 - 3 H+ + 3 H2O = NpO2(OH)3- + log_k -21.2 #20GRE/GAO + -analytic -21.2E+0 00E+0 00E+0 00E+0 00E+0 + +NpO2+2 - 4 H+ + 4 H2O = NpO2(OH)4-2 + log_k -32 #20GRE/GAO + -analytic -32E+0 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + Ox-2 = NpO2(Ox)- + log_k 3.9 #05HUM/AND + delta_h -1.3 #kJ/mol 20MAI/TRU +# Enthalpy of formation: -1810.141 kJ/mol + -analytic 36.7225E-1 00E+0 67.90373E+0 00E+0 00E+0 + +NpO2+ + 2 Ox-2 = NpO2(Ox)2-3 + log_k 5.8 #05HUM/AND + delta_h -8.7 #kJ/mol 20MAI/TRU +# Enthalpy of formation: -2648.201 kJ/mol + -analytic 42.75825E-1 00E+0 45.44326E+1 00E+0 00E+0 + +NpO2+2 + SO4-2 = NpO2(SO4) + log_k 3.28 #01LEM/FUG + delta_h 16.7 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -1753.373 kJ/mol + -analytic 62.05714E-1 00E+0 -87.23018E+1 00E+0 00E+0 + +NpO2+ + SO4-2 = NpO2(SO4)- + log_k 1.3 #20GRE/GAO + delta_h 22 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1865.521 kJ/mol + -analytic 51.54235E-1 00E+0 -11.4914E+2 00E+0 00E+0 + +NpO2+2 + 2 SO4-2 = NpO2(SO4)2-2 + log_k 4.7 #01LEM/FUG + delta_h 26 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -2653.413 kJ/mol + -analytic 92.55004E-1 00E+0 -13.58075E+2 00E+0 00E+0 + +NpO2+ + Cl- = NpO2Cl + log_k -0.93 #94NEC/KIM + delta_h 25.971 #kJ/mol +# Enthalpy of formation: -1119.289 kJ/mol + -analytic 36.19924E-1 00E+0 -13.5656E+2 00E+0 00E+0 + +NpO2+2 + Cl- = NpO2Cl+ + log_k 0.4 #01LEM/FUG + delta_h 8.387 #kJ/mol +# Enthalpy of formation: -1019.426 kJ/mol + -analytic 18.69339E-1 00E+0 -43.80835E+1 00E+0 00E+0 + +NpO2+2 + CO3-2 = NpO2CO3 + log_k 9.86 #20GRE/GAO + -analytic 98.6E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+ + F- = NpO2F + log_k 1.4 #20GRE/GAO + -analytic 14E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+2 + F- = NpO2F+ + log_k 4.57 #01LEM/FUG + delta_h 1.4 #kJ/mol +# Enthalpy of formation: -1194.682 kJ/mol + -analytic 48.15269E-1 00E+0 -73.12709E+0 00E+0 00E+0 + +NpO2+2 + 2 F- = NpO2F2 + log_k 7.6 #01LEM/FUG + delta_h 4.32 #kJ/mol +# Enthalpy of formation: -1527.113 kJ/mol + -analytic 83.56832E-1 00E+0 -22.56493E+1 00E+0 00E+0 + +NpO2+ + 2 F- = NpO2F2- + log_k 1.9 #20GRE/GAO + -analytic 19E-1 00E+0 00E+0 00E+0 00E+0 + +NpO2+2 + H2(PO4)- = NpO2H2PO4+ + log_k 3.32 #01LEM/FUG + -analytic 33.2E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + H2O = OH- + log_k -14 + delta_h 55.815 #kJ/mol # Enthalpy of formation: -230.015 kJ/mol 89COX/WAG - -analytic -42.21632E-1 00.00000E+0 -29.15420E+2 00.00000E+0 00.00000E+0 - --1.000H+ +1.000Pa+4 +1.000H2O = Pa(OH)+3 - log_k +0.84 #76BAE/MES - -analytic 84.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +1.000Pa+4 +2.000H2O = Pa(OH)2+2 - log_k -0.02 #76BAE/MES - -analytic -20.00000E-3 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --3.000H+ +1.000Pa+4 +3.000H2O = Pa(OH)3+ - log_k -1.50 #76BAE/MES - -analytic -15.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000PaO2+ = PaO(OH)+2 - log_k +1.25 #Original data 03TRU/LEN and 04FOU/PER - delta_h -5.700 #kJ/mol 03TRU/LEN - -analytic 25.14029E-2 00.00000E+0 29.77317E+1 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000SO4-2 +1.000PaO2+ -1.000H2O = PaO(SO4)+ - log_k +5.13 #07GIA/TRU - -analytic 51.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000H+ +2.000SO4-2 +1.000PaO2+ -1.000H2O = PaO(SO4)2- - log_k +8.24 #07GIA/TRU - -analytic 82.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000H+ +3.000SO4-2 +1.000PaO2+ -1.000H2O = PaO(SO4)3-3 - log_k +9.83 #07GIA/TRU - -analytic 98.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000PaO2+ +1.000H2O = PaO2(OH) - log_k -7.00 #Original data 03TRU/LEN and 04FOU/PER - delta_h +61.000 #kJ/mol 03TRU/LEN - -analytic 36.86741E-1 00.00000E+0 -31.86252E+2 00.00000E+0 00.00000E+0 - --2.000H+ +1.000PaO2+ +2.000H2O = PaO2(OH)2- - log_k -16.40 #04FOU/PER - -analytic -16.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +1.000B(OH)4- = Pb(B(OH)4)+ - log_k +5.20 #80BAS - -analytic 52.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +3.000B(OH)4- = Pb(B(OH)4)3- - log_k +11.18 #80BAS - -analytic 11.18000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +1.000CO3-2 = Pb(CO3) - log_k +7.00 #06BLA/PIA - delta_h -3.015 #kJ/mol -# Enthalpy of formation: -677.326 kJ/mol - -analytic 64.71795E-1 00.00000E+0 15.74844E+1 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +2.000CO3-2 = Pb(CO3)2-2 - log_k +10.13 #99LOT/OCH; Uncertainty to include available data. - -analytic 10.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +1.000Edta-4 = Pb(Edta)-2 - log_k +18.80 #04MAR/SMI - -analytic 18.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +2.000H+ +1.000Edta-4 = Pb(H2Edta) - log_k +24.90 #04MAR/SMI - -analytic 24.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +1.000H2(PO4)- = Pb(H2PO4)+ - log_k +1.50 #74NRI - -analytic 15.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +1.000H+ +1.000Edta-4 = Pb(HEdta)- - log_k +23.00 #04MAR/SMI - -analytic 23.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +2.000HS- = Pb(HS)2 - log_k +15.01 #06BLA/PIA; Uncertainty to include available data. - delta_h -65.579 #kJ/mol -# Enthalpy of formation: -97.259 kJ/mol - -analytic 35.21052E-1 00.00000E+0 34.25430E+2 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +3.000HS- = Pb(HS)3- - log_k +16.26 #06BLA/PIA; Uncertainty to include available data. - delta_h -73.329 #kJ/mol -# Enthalpy of formation: -121.309 kJ/mol - -analytic 34.13311E-1 00.00000E+0 38.30240E+2 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +1.000NO3- = Pb(NO3)+ - log_k +1.06 #99LOT/OCH - -analytic 10.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +2.000NO3- = Pb(NO3)2 - log_k +1.48 #99LOT/OCH - delta_h -11.012 #kJ/mol -# Enthalpy of formation: -423.792 kJ/mol - -analytic -44.92196E-2 00.00000E+0 57.51968E+1 00.00000E+0 00.00000E+0 - -+1.000Pb+2 -1.000H+ +1.000H2O = Pb(OH)+ - log_k -7.51 #99LOT/OCH; Uncertainty to include available data. - delta_h +53.920 #kJ/mol -# Enthalpy of formation: -230.990 kJ/mol - -analytic 19.36379E-1 00.00000E+0 -28.16438E+2 00.00000E+0 00.00000E+0 - -+1.000Pb+2 -2.000H+ +2.000H2O = Pb(OH)2 - log_k -16.95 #99LOT/OCH; Uncertainty to include available data. - delta_h +97.824 #kJ/mol -# Enthalpy of formation: -472.915 kJ/mol - -analytic 18.80291E-2 00.00000E+0 -51.09703E+2 00.00000E+0 00.00000E+0 - -+1.000Pb+2 -3.000H+ +3.000H2O = Pb(OH)3- - log_k -27.20 #01PER/HEF - delta_h +130.485 #kJ/mol -# Enthalpy of formation: -726.085 kJ/mol - -analytic -43.40009E-1 00.00000E+0 -68.15706E+2 00.00000E+0 00.00000E+0 - -+1.000Pb+2 -4.000H+ +4.000H2O = Pb(OH)4-2 - log_k -38.90 #01PER/HEF - delta_h +197.474 #kJ/mol -# Enthalpy of formation: -944.925 kJ/mol - -analytic -43.04040E-1 00.00000E+0 -10.31479E+3 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +1.000Ox-2 = Pb(Ox) - log_k +5.85 #13XIO/KIR - -analytic 58.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +2.000Ox-2 = Pb(Ox)2-2 - log_k +8.05 #13XIO/KIR - -analytic 80.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +1.000SeO3-2 = Pb(SeO3) - log_k +5.73 #01SEB/POT2 - -analytic 57.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +1.000SO4-2 = Pb(SO4) - log_k +2.82 #99LOT/OCH; Uncertainty to include available data. - delta_h +6.861 #kJ/mol -# Enthalpy of formation: -901.559 kJ/mol - -analytic 40.21996E-1 00.00000E+0 -35.83750E+1 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +2.000SO4-2 = Pb(SO4)2-2 - log_k +3.47 #97MAR/SMI; Uncertainty to include available data. - -analytic 34.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Pb+2 -1.000H+ +1.000H2O = Pb2(OH)+3 - log_k -7.18 #99LOT/OCH; Uncertainty to include available data. - -analytic -71.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+4.000Pb+2 -4.000H+ +4.000H2O = Pb4(OH)4+4 - log_k -20.63 #99LOT/OCH; Uncertainty to include available data. - delta_h +82.038 #kJ/mol -# Enthalpy of formation: -1057.601 kJ/mol - -analytic -62.57559E-1 00.00000E+0 -42.85143E+2 00.00000E+0 00.00000E+0 - -+6.000Pb+2 -8.000H+ +8.000H2O = Pb6(OH)8+4 - log_k -42.68 #99LOT/OCH - delta_h +192.157 #kJ/mol -# Enthalpy of formation: -2088.961 kJ/mol - -analytic -90.15539E-1 00.00000E+0 -10.03706E+3 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +1.000Br- = PbBr+ - log_k +1.70 #82HÖG - delta_h +4.220 #kJ/mol -# Enthalpy of formation: -116.270 kJ/mol - -analytic 24.39312E-1 00.00000E+0 -22.04260E+1 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +2.000Br- = PbBr2 - log_k +1.90 #82HÖG - delta_h +10.979 #kJ/mol -# Enthalpy of formation: -230.920 kJ/mol - -analytic 38.23438E-1 00.00000E+0 -57.34731E+1 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +3.000Br- = PbBr3- - log_k +2.90 #82HÖG - delta_h +10.653 #kJ/mol -# Enthalpy of formation: -352.656 kJ/mol - -analytic 47.66325E-1 00.00000E+0 -55.64449E+1 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +1.000Cl- = PbCl+ - log_k +1.44 #97SVE/SHO; Uncertainty to include available data. - delta_h +4.318 #kJ/mol -# Enthalpy of formation: -161.841 kJ/mol - -analytic 21.96481E-1 00.00000E+0 -22.55448E+1 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +2.000Cl- = PbCl2 - log_k +2.00 #97SVE/SHO; Uncertainty to include available data. - delta_h +7.948 #kJ/mol -# Enthalpy of formation: -325.291 kJ/mol - -analytic 33.92430E-1 00.00000E+0 -41.51530E+1 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +3.000Cl- = PbCl3- - log_k +1.69 #97SVE/SHO; 22. Uncertainty to include available data. - delta_h +7.812 #kJ/mol -# Enthalpy of formation: -492.507 kJ/mol - -analytic 30.58604E-1 00.00000E+0 -40.80492E+1 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +4.000Cl- = PbCl4-2 - log_k +1.40 #97SVE/SHO; 22. Uncertainty to include available data. - delta_h +1.324 #kJ/mol -# Enthalpy of formation: -666.074 kJ/mol - -analytic 16.31955E-1 00.00000E+0 -69.15734E+0 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +1.000F- = PbF+ - log_k +2.27 #99LOT/OCH - delta_h -4.054 #kJ/mol -# Enthalpy of formation: -338.484 kJ/mol - -analytic 15.59770E-1 00.00000E+0 21.17552E+1 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +2.000F- = PbF2 - log_k +3.01 #99LOT/OCH - delta_h -8.879 #kJ/mol -# Enthalpy of formation: -678.659 kJ/mol - -analytic 14.54466E-1 00.00000E+0 46.37825E+1 00.00000E+0 00.00000E+0 - -+1.000Pb+2 -1.000H+ +1.000H2(PO4)- = PbHPO4 - log_k -4.11 #74NRI - -analytic -41.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +1.000I- = PbI+ - log_k +1.98 #82HÖG - delta_h +3.874 #kJ/mol -# Enthalpy of formation: -51.986 kJ/mol - -analytic 26.58696E-1 00.00000E+0 -20.23531E+1 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +2.000I- = PbI2 - log_k +3.15 #82HÖG - delta_h +7.106 #kJ/mol -# Enthalpy of formation: -105.533 kJ/mol - -analytic 43.94918E-1 00.00000E+0 -37.11722E+1 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +3.000I- = PbI3- - log_k +3.81 #82HÖG - delta_h +3.163 #kJ/mol -# Enthalpy of formation: -166.256 kJ/mol - -analytic 43.64134E-1 00.00000E+0 -16.52150E+1 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +4.000I- = PbI4-2 - log_k +3.75 #82HÖG - delta_h -15.561 #kJ/mol -# Enthalpy of formation: -241.760 kJ/mol - -analytic 10.23830E-1 00.00000E+0 81.28076E+1 00.00000E+0 00.00000E+0 - -+1.000Pb+2 +1.000Pyrophos-4 = PbPyrophos-2 - log_k +8.33 #82WAG/EVA - -analytic 83.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +1.000CO3-2 = Pd(CO3) - log_k +6.83 #87BRO/WAN - delta_h -8.843 #kJ/mol -# Enthalpy of formation: -494.184 kJ/mol - -analytic 52.80773E-1 00.00000E+0 46.19021E+1 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +2.000CO3-2 = Pd(CO3)2-2 - log_k +12.53 #87BRO/WAN - -analytic 12.53000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +1.000NH3 = Pd(NH3)+2 - log_k +9.60 #68RAS/JOR - -analytic 96.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +2.000NH3 = Pd(NH3)2+2 - log_k +18.50 #68RAS/JOR - -analytic 18.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +3.000NH3 = Pd(NH3)3+2 - log_k +26.00 #68RAS/JOR - -analytic 26.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +4.000NH3 = Pd(NH3)4+2 - log_k +32.80 #68RAS/JOR - -analytic 32.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000Pd+2 +1.000H2O = Pd(OH)+ - log_k -1.86 #70NAB/KAL - delta_h +11.908 #kJ/mol -# Enthalpy of formation: -84.032 kJ/mol - -analytic 22.61920E-2 00.00000E+0 -62.19982E+1 00.00000E+0 00.00000E+0 - --2.000H+ +1.000Pd+2 +2.000H2O = Pd(OH)2 - log_k -3.49 #12RAI/YUI - delta_h +13.576 #kJ/mol -# Enthalpy of formation: -368.195 kJ/mol - -analytic -11.11587E-1 00.00000E+0 -70.91239E+1 00.00000E+0 00.00000E+0 - --3.000H+ +1.000Pd+2 +3.000H2O = Pd(OH)3- - log_k -15.48 #12RAI/YUI - delta_h +52.289 #kJ/mol -# Enthalpy of formation: -615.311 kJ/mol - -analytic -63.19360E-1 00.00000E+0 -27.31245E+2 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +1.000SO4-2 = Pd(SO4) - log_k +2.91 #87BRO/WAN - delta_h +4.588 #kJ/mol -# Enthalpy of formation: -714.862 kJ/mol - -analytic 37.13783E-1 00.00000E+0 -23.96479E+1 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +2.000SO4-2 = Pd(SO4)2-2 - log_k +4.17 #82HOG - -analytic 41.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +1.000Br- = PdBr+ - log_k +5.77 #72ELD - delta_h -30.145 #kJ/mol -# Enthalpy of formation: +38.334 kJ/mol - -analytic 48.88227E-2 00.00000E+0 15.74583E+2 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +2.000Br- = PdBr2 - log_k +10.06 #72ELD - delta_h -57.714 #kJ/mol -# Enthalpy of formation: -110.644 kJ/mol - -analytic -51.05877E-3 00.00000E+0 30.14612E+2 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +3.000Br- = PdBr3- - log_k +13.75 #72ELD - delta_h -92.390 #kJ/mol -# Enthalpy of formation: -266.730 kJ/mol - -analytic -24.36033E-1 00.00000E+0 48.25866E+2 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +4.000Br- = PdBr4-2 - log_k +15.11 #72ELD - delta_h -126.688 #kJ/mol -# Enthalpy of formation: -422.437 kJ/mol - -analytic -70.84785E-1 00.00000E+0 66.17375E+2 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +1.000Cl- = PdCl+ - log_k +5.00 #12RAI/YUI - delta_h -23.954 #kJ/mol -# Enthalpy of formation: -1.145 kJ/mol - -analytic 80.34393E-2 00.00000E+0 12.51205E+2 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +2.000Cl- = PdCl2 - log_k +8.42 #12RAI/YUI - delta_h -48.037 #kJ/mol -# Enthalpy of formation: -192.307 kJ/mol - -analytic 42.78852E-4 00.00000E+0 25.09147E+2 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +3.000Cl- = PdCl3- - log_k +10.93 #12RAI/YUI - delta_h -77.749 #kJ/mol -# Enthalpy of formation: -389.099 kJ/mol - -analytic -26.91040E-1 00.00000E+0 40.61113E+2 00.00000E+0 00.00000E+0 - --1.000H+ +1.000Pd+2 +3.000Cl- +1.000H2O = PdCl3(OH)-2 - log_k +2.42 #12RAI/YUI - -analytic 24.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +4.000Cl- = PdCl4-2 - log_k +13.05 #12RAI/YUI - delta_h -120.180 #kJ/mol -# Enthalpy of formation: -598.610 kJ/mol - -analytic -80.04632E-1 00.00000E+0 62.77439E+2 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +1.000I- = PdI+ - log_k +10.40 #89BAE/McK - delta_h -58.206 #kJ/mol -# Enthalpy of formation: +74.903 kJ/mol - -analytic 20.27465E-2 00.00000E+0 30.40311E+2 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +2.000I- = PdI2 - log_k +14.50 #97BOU - delta_h -83.425 #kJ/mol -# Enthalpy of formation: -7.096 kJ/mol - -analytic -11.54326E-2 00.00000E+0 43.57591E+2 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +3.000I- = PdI3- - log_k +18.60 #97BOU - delta_h -121.755 #kJ/mol -# Enthalpy of formation: -102.205 kJ/mol - -analytic -27.30560E-1 00.00000E+0 63.59707E+2 00.00000E+0 00.00000E+0 - -+1.000Pd+2 +4.000I- = PdI4-2 - log_k +24.64 - delta_h -190.061 #kJ/mol -# Enthalpy of formation: -227.291 kJ/mol - -analytic -86.57258E-1 00.00000E+0 99.27577E+2 00.00000E+0 00.00000E+0 - --2.000H+ +1.000H2(PO4)- = PO4-3 - log_k -19.56 #89COX/WAG - delta_h +18.200 #kJ/mol + -analytic -42.21632E-1 00E+0 -29.1542E+2 00E+0 00E+0 + +- H+ + Pa+4 + H2O = Pa(OH)+3 + log_k 0.84 #76BAE/MES + -analytic 84E-2 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + Pa+4 + 2 H2O = Pa(OH)2+2 + log_k -0.02 #76BAE/MES + -analytic -20E-3 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ + Pa+4 + 3 H2O = Pa(OH)3+ + log_k -1.5 #76BAE/MES + -analytic -15E-1 00E+0 00E+0 00E+0 00E+0 + +H+ + PaO2+ = PaO(OH)+2 + log_k 1.25 #Original data 03TRU/LEN and 04FOU/PER + delta_h -5.7 #kJ/mol 03TRU/LEN + -analytic 25.14029E-2 00E+0 29.77317E+1 00E+0 00E+0 + +2 H+ + SO4-2 + PaO2+ - H2O = PaO(SO4)+ + log_k 5.13 #07GIA/TRU + -analytic 51.3E-1 00E+0 00E+0 00E+0 00E+0 + +2 H+ + 2 SO4-2 + PaO2+ - H2O = PaO(SO4)2- + log_k 8.24 #07GIA/TRU + -analytic 82.4E-1 00E+0 00E+0 00E+0 00E+0 + +2 H+ + 3 SO4-2 + PaO2+ - H2O = PaO(SO4)3-3 + log_k 9.83 #07GIA/TRU + -analytic 98.3E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + PaO2+ + H2O = PaO2(OH) + log_k -7 #Original data 03TRU/LEN and 04FOU/PER + delta_h 61 #kJ/mol 03TRU/LEN + -analytic 36.86741E-1 00E+0 -31.86252E+2 00E+0 00E+0 + +- 2 H+ + PaO2+ + 2 H2O = PaO2(OH)2- + log_k -16.4 #04FOU/PER + -analytic -16.4E+0 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + B(OH)4- = Pb(B(OH)4)+ + log_k 5.2 #80BAS + -analytic 52E-1 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + 3 B(OH)4- = Pb(B(OH)4)3- + log_k 11.18 #80BAS + -analytic 11.18E+0 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + CO3-2 = Pb(CO3) + log_k 7 #06BLA/PIA + delta_h -3.015 #kJ/mol +# Enthalpy of formation: -677.326 kJ/mol + -analytic 64.71795E-1 00E+0 15.74844E+1 00E+0 00E+0 + +Pb+2 + 2 CO3-2 = Pb(CO3)2-2 + log_k 10.13 #99LOT/OCH; Uncertainty to include available data. + -analytic 10.13E+0 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + Edta-4 = Pb(Edta)-2 + log_k 18.8 #04MAR/SMI + -analytic 18.8E+0 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + 2 H+ + Edta-4 = Pb(H2Edta) + log_k 24.9 #04MAR/SMI + -analytic 24.9E+0 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + H2(PO4)- = Pb(H2PO4)+ + log_k 1.5 #74NRI + -analytic 15E-1 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + H+ + Edta-4 = Pb(HEdta)- + log_k 23 #04MAR/SMI + -analytic 23E+0 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + 2 HS- = Pb(HS)2 + log_k 15.01 #06BLA/PIA; Uncertainty to include available data. + delta_h -65.579 #kJ/mol +# Enthalpy of formation: -97.259 kJ/mol + -analytic 35.21052E-1 00E+0 34.2543E+2 00E+0 00E+0 + +Pb+2 + 3 HS- = Pb(HS)3- + log_k 16.26 #06BLA/PIA; Uncertainty to include available data. + delta_h -73.329 #kJ/mol +# Enthalpy of formation: -121.309 kJ/mol + -analytic 34.13311E-1 00E+0 38.3024E+2 00E+0 00E+0 + +Pb+2 + NO3- = Pb(NO3)+ + log_k 1.06 #99LOT/OCH + -analytic 10.6E-1 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + 2 NO3- = Pb(NO3)2 + log_k 1.48 #99LOT/OCH + delta_h -11.012 #kJ/mol +# Enthalpy of formation: -423.792 kJ/mol + -analytic -44.92196E-2 00E+0 57.51968E+1 00E+0 00E+0 + +Pb+2 - H+ + H2O = Pb(OH)+ + log_k -7.51 #99LOT/OCH; Uncertainty to include available data. + delta_h 53.92 #kJ/mol +# Enthalpy of formation: -230.990 kJ/mol + -analytic 19.36379E-1 00E+0 -28.16438E+2 00E+0 00E+0 + +Pb+2 - 2 H+ + 2 H2O = Pb(OH)2 + log_k -16.95 #99LOT/OCH; Uncertainty to include available data. + delta_h 97.824 #kJ/mol +# Enthalpy of formation: -472.915 kJ/mol + -analytic 18.80291E-2 00E+0 -51.09703E+2 00E+0 00E+0 + +Pb+2 - 3 H+ + 3 H2O = Pb(OH)3- + log_k -27.2 #01PER/HEF + delta_h 130.485 #kJ/mol +# Enthalpy of formation: -726.085 kJ/mol + -analytic -43.40009E-1 00E+0 -68.15706E+2 00E+0 00E+0 + +Pb+2 - 4 H+ + 4 H2O = Pb(OH)4-2 + log_k -38.9 #01PER/HEF + delta_h 197.474 #kJ/mol +# Enthalpy of formation: -944.925 kJ/mol + -analytic -43.0404E-1 00E+0 -10.31479E+3 00E+0 00E+0 + +Pb+2 + Ox-2 = Pb(Ox) + log_k 5.85 #13XIO/KIR + -analytic 58.5E-1 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + 2 Ox-2 = Pb(Ox)2-2 + log_k 8.05 #13XIO/KIR + -analytic 80.5E-1 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + SeO3-2 = Pb(SeO3) + log_k 5.73 #01SEB/POT2 + -analytic 57.3E-1 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + SO4-2 = Pb(SO4) + log_k 2.82 #99LOT/OCH; Uncertainty to include available data. + delta_h 6.861 #kJ/mol +# Enthalpy of formation: -901.559 kJ/mol + -analytic 40.21996E-1 00E+0 -35.8375E+1 00E+0 00E+0 + +Pb+2 + 2 SO4-2 = Pb(SO4)2-2 + log_k 3.47 #97MAR/SMI; Uncertainty to include available data. + -analytic 34.7E-1 00E+0 00E+0 00E+0 00E+0 + +2 Pb+2 - H+ + H2O = Pb2(OH)+3 + log_k -7.18 #99LOT/OCH; Uncertainty to include available data. + -analytic -71.8E-1 00E+0 00E+0 00E+0 00E+0 + +4 Pb+2 - 4 H+ + 4 H2O = Pb4(OH)4+4 + log_k -20.63 #99LOT/OCH; Uncertainty to include available data. + delta_h 82.038 #kJ/mol +# Enthalpy of formation: -1057.601 kJ/mol + -analytic -62.57559E-1 00E+0 -42.85143E+2 00E+0 00E+0 + +6 Pb+2 - 8 H+ + 8 H2O = Pb6(OH)8+4 + log_k -42.68 #99LOT/OCH + delta_h 192.157 #kJ/mol +# Enthalpy of formation: -2088.961 kJ/mol + -analytic -90.15539E-1 00E+0 -10.03706E+3 00E+0 00E+0 + +Pb+2 + Br- = PbBr+ + log_k 1.7 #82HÖG + delta_h 4.22 #kJ/mol +# Enthalpy of formation: -116.270 kJ/mol + -analytic 24.39312E-1 00E+0 -22.0426E+1 00E+0 00E+0 + +Pb+2 + 2 Br- = PbBr2 + log_k 1.9 #82HÖG + delta_h 10.979 #kJ/mol +# Enthalpy of formation: -230.920 kJ/mol + -analytic 38.23438E-1 00E+0 -57.34731E+1 00E+0 00E+0 + +Pb+2 + 3 Br- = PbBr3- + log_k 2.9 #82HÖG + delta_h 10.653 #kJ/mol +# Enthalpy of formation: -352.656 kJ/mol + -analytic 47.66325E-1 00E+0 -55.64449E+1 00E+0 00E+0 + +Pb+2 + Cl- = PbCl+ + log_k 1.44 #97SVE/SHO; Uncertainty to include available data. + delta_h 4.318 #kJ/mol +# Enthalpy of formation: -161.841 kJ/mol + -analytic 21.96481E-1 00E+0 -22.55448E+1 00E+0 00E+0 + +Pb+2 + 2 Cl- = PbCl2 + log_k 2 #97SVE/SHO; Uncertainty to include available data. + delta_h 7.948 #kJ/mol +# Enthalpy of formation: -325.291 kJ/mol + -analytic 33.9243E-1 00E+0 -41.5153E+1 00E+0 00E+0 + +Pb+2 + 3 Cl- = PbCl3- + log_k 1.69 #97SVE/SHO; 22 Uncertainty to include available data. + delta_h 7.812 #kJ/mol +# Enthalpy of formation: -492.507 kJ/mol + -analytic 30.58604E-1 00E+0 -40.80492E+1 00E+0 00E+0 + +Pb+2 + 4 Cl- = PbCl4-2 + log_k 1.4 #97SVE/SHO; 22 Uncertainty to include available data. + delta_h 1.324 #kJ/mol +# Enthalpy of formation: -666.074 kJ/mol + -analytic 16.31955E-1 00E+0 -69.15734E+0 00E+0 00E+0 + +Pb+2 + F- = PbF+ + log_k 2.27 #99LOT/OCH + delta_h -4.054 #kJ/mol +# Enthalpy of formation: -338.484 kJ/mol + -analytic 15.5977E-1 00E+0 21.17552E+1 00E+0 00E+0 + +Pb+2 + 2 F- = PbF2 + log_k 3.01 #99LOT/OCH + delta_h -8.879 #kJ/mol +# Enthalpy of formation: -678.659 kJ/mol + -analytic 14.54466E-1 00E+0 46.37825E+1 00E+0 00E+0 + +Pb+2 - H+ + H2(PO4)- = PbHPO4 + log_k -4.11 #74NRI + -analytic -41.1E-1 00E+0 00E+0 00E+0 00E+0 + +Pb+2 + I- = PbI+ + log_k 1.98 #82HÖG + delta_h 3.874 #kJ/mol +# Enthalpy of formation: -51.986 kJ/mol + -analytic 26.58696E-1 00E+0 -20.23531E+1 00E+0 00E+0 + +Pb+2 + 2 I- = PbI2 + log_k 3.15 #82HÖG + delta_h 7.106 #kJ/mol +# Enthalpy of formation: -105.533 kJ/mol + -analytic 43.94918E-1 00E+0 -37.11722E+1 00E+0 00E+0 + +Pb+2 + 3 I- = PbI3- + log_k 3.81 #82HÖG + delta_h 3.163 #kJ/mol +# Enthalpy of formation: -166.256 kJ/mol + -analytic 43.64134E-1 00E+0 -16.5215E+1 00E+0 00E+0 + +Pb+2 + 4 I- = PbI4-2 + log_k 3.75 #82HÖG + delta_h -15.561 #kJ/mol +# Enthalpy of formation: -241.760 kJ/mol + -analytic 10.2383E-1 00E+0 81.28076E+1 00E+0 00E+0 + +Pb+2 + Pyrophos-4 = PbPyrophos-2 + log_k 8.33 #82WAG/EVA + -analytic 83.3E-1 00E+0 00E+0 00E+0 00E+0 + +Pd+2 + CO3-2 = Pd(CO3) + log_k 6.83 #87BRO/WAN + delta_h -8.843 #kJ/mol +# Enthalpy of formation: -494.184 kJ/mol + -analytic 52.80773E-1 00E+0 46.19021E+1 00E+0 00E+0 + +Pd+2 + 2 CO3-2 = Pd(CO3)2-2 + log_k 12.53 #87BRO/WAN + -analytic 12.53E+0 00E+0 00E+0 00E+0 00E+0 + +Pd+2 + NH3 = Pd(NH3)+2 + log_k 9.6 #68RAS/JOR + -analytic 96E-1 00E+0 00E+0 00E+0 00E+0 + +Pd+2 + 2 NH3 = Pd(NH3)2+2 + log_k 18.5 #68RAS/JOR + -analytic 18.5E+0 00E+0 00E+0 00E+0 00E+0 + +Pd+2 + 3 NH3 = Pd(NH3)3+2 + log_k 26 #68RAS/JOR + -analytic 26E+0 00E+0 00E+0 00E+0 00E+0 + +Pd+2 + 4 NH3 = Pd(NH3)4+2 + log_k 32.8 #68RAS/JOR + -analytic 32.8E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + Pd+2 + H2O = Pd(OH)+ + log_k -1.86 #70NAB/KAL + delta_h 11.908 #kJ/mol +# Enthalpy of formation: -84.032 kJ/mol + -analytic 22.6192E-2 00E+0 -62.19982E+1 00E+0 00E+0 + +- 2 H+ + Pd+2 + 2 H2O = Pd(OH)2 + log_k -3.49 #12RAI/YUI + delta_h 13.576 #kJ/mol +# Enthalpy of formation: -368.195 kJ/mol + -analytic -11.11587E-1 00E+0 -70.91239E+1 00E+0 00E+0 + +- 3 H+ + Pd+2 + 3 H2O = Pd(OH)3- + log_k -15.48 #12RAI/YUI + delta_h 52.289 #kJ/mol +# Enthalpy of formation: -615.311 kJ/mol + -analytic -63.1936E-1 00E+0 -27.31245E+2 00E+0 00E+0 + +Pd+2 + SO4-2 = Pd(SO4) + log_k 2.91 #87BRO/WAN + delta_h 4.588 #kJ/mol +# Enthalpy of formation: -714.862 kJ/mol + -analytic 37.13783E-1 00E+0 -23.96479E+1 00E+0 00E+0 + +Pd+2 + 2 SO4-2 = Pd(SO4)2-2 + log_k 4.17 #82HOG + -analytic 41.7E-1 00E+0 00E+0 00E+0 00E+0 + +Pd+2 + Br- = PdBr+ + log_k 5.77 #72ELD + delta_h -30.145 #kJ/mol +# Enthalpy of formation: +38.334 kJ/mol + -analytic 48.88227E-2 00E+0 15.74583E+2 00E+0 00E+0 + +Pd+2 + 2 Br- = PdBr2 + log_k 10.06 #72ELD + delta_h -57.714 #kJ/mol +# Enthalpy of formation: -110.644 kJ/mol + -analytic -51.05877E-3 00E+0 30.14612E+2 00E+0 00E+0 + +Pd+2 + 3 Br- = PdBr3- + log_k 13.75 #72ELD + delta_h -92.39 #kJ/mol +# Enthalpy of formation: -266.730 kJ/mol + -analytic -24.36033E-1 00E+0 48.25866E+2 00E+0 00E+0 + +Pd+2 + 4 Br- = PdBr4-2 + log_k 15.11 #72ELD + delta_h -126.688 #kJ/mol +# Enthalpy of formation: -422.437 kJ/mol + -analytic -70.84785E-1 00E+0 66.17375E+2 00E+0 00E+0 + +Pd+2 + Cl- = PdCl+ + log_k 5 #12RAI/YUI + delta_h -23.954 #kJ/mol +# Enthalpy of formation: -1.145 kJ/mol + -analytic 80.34393E-2 00E+0 12.51205E+2 00E+0 00E+0 + +Pd+2 + 2 Cl- = PdCl2 + log_k 8.42 #12RAI/YUI + delta_h -48.037 #kJ/mol +# Enthalpy of formation: -192.307 kJ/mol + -analytic 42.78852E-4 00E+0 25.09147E+2 00E+0 00E+0 + +Pd+2 + 3 Cl- = PdCl3- + log_k 10.93 #12RAI/YUI + delta_h -77.749 #kJ/mol +# Enthalpy of formation: -389.099 kJ/mol + -analytic -26.9104E-1 00E+0 40.61113E+2 00E+0 00E+0 + +- H+ + Pd+2 + 3 Cl- + H2O = PdCl3(OH)-2 + log_k 2.42 #12RAI/YUI + -analytic 24.2E-1 00E+0 00E+0 00E+0 00E+0 + +Pd+2 + 4 Cl- = PdCl4-2 + log_k 13.05 #12RAI/YUI + delta_h -120.18 #kJ/mol +# Enthalpy of formation: -598.610 kJ/mol + -analytic -80.04632E-1 00E+0 62.77439E+2 00E+0 00E+0 + +Pd+2 + I- = PdI+ + log_k 10.4 #89BAE/McK + delta_h -58.206 #kJ/mol +# Enthalpy of formation: +74.903 kJ/mol + -analytic 20.27465E-2 00E+0 30.40311E+2 00E+0 00E+0 + +Pd+2 + 2 I- = PdI2 + log_k 14.5 #97BOU + delta_h -83.425 #kJ/mol +# Enthalpy of formation: -7.096 kJ/mol + -analytic -11.54326E-2 00E+0 43.57591E+2 00E+0 00E+0 + +Pd+2 + 3 I- = PdI3- + log_k 18.6 #97BOU + delta_h -121.755 #kJ/mol +# Enthalpy of formation: -102.205 kJ/mol + -analytic -27.3056E-1 00E+0 63.59707E+2 00E+0 00E+0 + +Pd+2 + 4 I- = PdI4-2 + log_k 24.64 + delta_h -190.061 #kJ/mol +# Enthalpy of formation: -227.291 kJ/mol + -analytic -86.57258E-1 00E+0 99.27577E+2 00E+0 00E+0 + +- 2 H+ + H2(PO4)- = PO4-3 + log_k -19.56 #89COX/WAG + delta_h 18.2 #kJ/mol # Enthalpy of formation: -1284.400 kJ/mol 89COX/WAG - -analytic -16.37150E+0 00.00000E+0 -95.06522E+1 00.00000E+0 00.00000E+0 + -analytic -16.3715E+0 00E+0 -95.06522E+1 00E+0 00E+0 -+1.000Pu+3 +1.000Acetate- = Pu(Acetate)+2 - log_k +2.85 #69MOS - -analytic 28.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 +1.000Acetate- = Pu(Acetate)+3 - log_k +5.93 #62SCH/NEB - -analytic 59.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +2.000Acetate- = Pu(Acetate)2+ - log_k +5.06 #69MOS - -analytic 50.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 +2.000Acetate- = Pu(Acetate)2+2 - log_k +10.09 #62SCH/NEB - -analytic 10.09000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +3.000Acetate- = Pu(Acetate)3 - log_k +6.57 #69MOS - -analytic 65.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +1.000Cit-3 = Pu(Cit) - log_k +8.55 #Analogy with Am - -analytic 85.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +2.000Cit-3 = Pu(Cit)2-3 - log_k +13.90 #Analogy with Am - -analytic 13.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +1.000CO3-2 = Pu(CO3)+ - log_k +7.64 #Estimated by correlation with An(III) in function of ionic radii - delta_h +14.742 #kJ/mol -# Enthalpy of formation: -1252.279 kJ/mol - -analytic 10.22269E+0 00.00000E+0 -77.00283E+1 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +2.000CO3-2 = Pu(CO3)2- - log_k +12.54 #Estimated by correlation with An(III) in function of ionic radii - -analytic 12.54000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +3.000CO3-2 = Pu(CO3)3-3 - log_k +15.20 #Estimated by correlation with An(III) in function of ionic radii - -analytic 15.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 +4.000CO3-2 = Pu(CO3)4-4 - log_k +37.00 #03GUI/FAN - -analytic 37.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 +5.000CO3-2 = Pu(CO3)5-6 - log_k +35.65 #03GUI/FAN - -analytic 35.65000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 +1.000Edta-4 = Pu(Edta) - log_k +31.80 #Recommended in 05HUM/AND - -analytic 31.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +1.000Edta-4 = Pu(Edta)- - log_k +20.18 #05HUM/AND - delta_h -8.700 #kJ/mol 05HUM/AND -# Enthalpy of formation: -2305.290 kJ/mol - -analytic 18.65583E+0 00.00000E+0 45.44326E+1 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +1.000H2(PO4)- = Pu(H2PO4)+2 - log_k +2.20 #10RAI/MOO - -analytic 22.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +1.000H+ +1.000Cit-3 = Pu(HCit)+ - log_k +12.86 #Analogy with Am - -analytic 12.86000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +2.000H+ +2.000Cit-3 = Pu(HCit)2- - log_k +23.52 #Analogy with Am - -analytic 23.52000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +1.000H+ +1.000Edta-4 = Pu(HEdta) - log_k +22.02 #05HUM/AND - -analytic 22.02000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 -1.000H+ +1.000H2(PO4)- = Pu(HPO4)+ - log_k -1.81 #Estimated by correlation with An(III) in function of ionic radii - -analytic -18.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 -2.000H+ +2.000H2(PO4)- = Pu(HPO4)2- - log_k -5.45 #Estimated by correlation with An(III) in function of ionic radii - -analytic -54.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +1.000NO3- = Pu(NO3)+2 - log_k +1.33 #95SIL/BID, LogK selected in analogy to Am (NEA recommendation 95SIL/BID) - -analytic 13.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 +1.000NO3- = Pu(NO3)+3 - log_k +1.95 #01LEM/FUG - -analytic 19.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +1.000Nta-3 = Pu(Nta) - log_k +13.10 #95AKR/BOU - -analytic 13.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 +1.000Nta-3 = Pu(Nta)+ - log_k +25.72 #16BON/AUP - -analytic 25.72000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 -1.000H+ +1.000H2O = Pu(OH)+2 - log_k -6.18 #20GRE/GAO - delta_h +30.753 #kJ/mol -# Enthalpy of formation: -846.866 kJ/mol - -analytic -79.23057E-2 00.00000E+0 -16.06341E+2 00.00000E+0 00.00000E+0 - -+1.000Pu+4 -1.000H+ +1.000H2O = Pu(OH)+3 - log_k +0.60 #99NEC, 01NEC/KIM, 03GUI/FAN - delta_h +22.922 #kJ/mol -# Enthalpy of formation: -802.803 kJ/mol - -analytic 46.15762E-1 00.00000E+0 -11.97299E+2 00.00000E+0 00.00000E+0 - -+1.000Pu+4 -2.000H+ +2.000CO3-2 +2.000H2O = Pu(OH)2(CO3)2-2 - log_k +18.21 #99RAI/HES1 - -analytic 18.21000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 -2.000H+ +1.000HGlu- +2.000H2O = Pu(OH)2(HGlu) - log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) - -analytic -10.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 -2.000H+ +1.000HIsa- +2.000H2O = Pu(OH)2(HIsa) - log_k -10.97 #18TAS/GAO - -analytic -10.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 -2.000H+ +2.000H2O = Pu(OH)2+ - log_k -15.10 #Analogy with Am(III) - delta_h +89.712 #kJ/mol -# Enthalpy of formation: -1073.737 kJ/mol - -analytic 61.68677E-2 00.00000E+0 -46.85984E+2 00.00000E+0 00.00000E+0 - -+1.000Pu+4 -2.000H+ +2.000H2O = Pu(OH)2+2 - log_k +0.60 #99NEC, 01NEC/KIM, 03GUI/FAN - delta_h +39.780 #kJ/mol -# Enthalpy of formation: -1071.775 kJ/mol - -analytic 75.69157E-1 00.00000E+0 -20.77854E+2 00.00000E+0 00.00000E+0 - -+1.000Pu+4 -2.000H+ +1.000Edta-4 +2.000H2O = Pu(OH)2Edta-2 - log_k +18.02 #21DIB/TAS - -analytic 18.02000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 -3.000H+ +3.000H2O = Pu(OH)3 - log_k -26.20 #20GRE/GAO - delta_h +151.892 #kJ/mol -# Enthalpy of formation: -1297.387 kJ/mol - -analytic 41.03361E-2 00.00000E+0 -79.33872E+2 00.00000E+0 00.00000E+0 - -+1.000Pu+4 -3.000H+ +1.000HGlu- +3.000H2O = Pu(OH)3(HGlu) - log_k +4.75 #06GAO/GRI - -analytic 47.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 -3.000H+ +3.000H2O = Pu(OH)3+ - log_k -2.30 #99NEC, 01NEC/KIM, 03GUI/FAN - delta_h +64.376 #kJ/mol -# Enthalpy of formation: -1333.008 kJ/mol - -analytic 89.78191E-1 00.00000E+0 -33.62593E+2 00.00000E+0 00.00000E+0 - -+1.000Pu+4 -3.000H+ +1.000Edta-4 +3.000H2O = Pu(OH)3Edta-3 - log_k +8.50 #21DIB/TAS - -analytic 85.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 -4.000H+ +4.000H2O = Pu(OH)4 - log_k -8.50 #03GUI/FAN - delta_h +98.586 #kJ/mol -# Enthalpy of formation: -1584.627 kJ/mol - -analytic 87.71526E-1 00.00000E+0 -51.49505E+2 00.00000E+0 00.00000E+0 - -+1.000Pu+4 -4.000H+ +1.000HGlu- +4.000H2O = Pu(OH)4(HGlu)- - log_k -2.70 #06GAO/GRI - -analytic -27.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 -4.000H+ +2.000HGlu- +4.000H2O = Pu(OH)4(HGlu)2-2 - log_k -2.83 #Analogy with An(IV)-ISA - -analytic -28.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 -4.000H+ +1.000HIsa- +4.000H2O = Pu(OH)4(HIsa)- - log_k -5.03 #18TAS/GAO & TAS/GAO1 - -analytic -50.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 -4.000H+ +2.000HIsa- +4.000H2O = Pu(OH)4(HIsa)2-2 - log_k -2.83 #23ROD/COL - -analytic -28.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 -5.000H+ +1.000HGlu- +5.000H2O = Pu(OH)5(HGlu)-2 - log_k -16.92 #Analogy with An(IV)-ISA - -analytic -16.92000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 -5.000H+ +1.000HIsa- +5.000H2O = Pu(OH)5(HIsa)-2 - log_k -16.92 #18TAS/GAO & 18TAS/GAO1 - -analytic -16.92000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 -1.000H+ +1.000Edta-4 +1.000H2O = Pu(OH)Edta- - log_k +23.00 #21DIB/TAS - -analytic 23.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +1.000Ox-2 = Pu(Ox)+ - log_k +6.49 #12GRI/GAR2 - -analytic 64.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 +1.000Ox-2 = Pu(Ox)+2 - log_k +11.40 #05HUM/AND - -analytic 11.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 +2.000Ox-2 = Pu(Ox)2 - log_k +20.60 #05HUM/AND - -analytic 20.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +2.000Ox-2 = Pu(Ox)2- - log_k +10.62 #12GRI/GAR2 - -analytic 10.62000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 +3.000Ox-2 = Pu(Ox)3-2 - log_k +25.69 #05HUM/AND - -analytic 25.69000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +3.000Ox-2 = Pu(Ox)3-3 - log_k +13.22 #12GRI/GAR2 - -analytic 13.22000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 -2.000H+ +1.000H2(PO4)- = Pu(PO4) - log_k -7.91 #Estimated by correlation with An(III) in function of ionic radii - -analytic -79.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 -4.000H+ +2.000H2(PO4)- = Pu(PO4)2-3 - log_k -19.71 #Estimated by correlation with An(III) in function of ionic radii - -analytic -19.71000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +1.000SO4-2 = Pu(SO4)+ - log_k +3.91 #01LEM/FUG - delta_h +17.240 #kJ/mol 01LEM/FUG -# Enthalpy of formation: -1483.890 kJ/mol - -analytic 69.30318E-1 00.00000E+0 -90.05079E+1 00.00000E+0 00.00000E+0 - -+1.000Pu+4 +1.000SO4-2 = Pu(SO4)+2 - log_k +6.89 #01LEM/FUG - delta_h +13.754 #kJ/mol -# Enthalpy of formation: -1435.481 kJ/mol - -analytic 92.99597E-1 00.00000E+0 -71.84215E+1 00.00000E+0 00.00000E+0 - -+1.000Pu+4 +2.000SO4-2 = Pu(SO4)2 - log_k +11.14 #01LEM/FUG - delta_h +43.907 #kJ/mol -# Enthalpy of formation: -2314.667 kJ/mol - -analytic 18.83218E+0 00.00000E+0 -22.93422E+2 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +2.000SO4-2 = Pu(SO4)2- - log_k +5.70 #01LEM/FUG - delta_h +11.880 #kJ/mol 01LEM/FUG -# Enthalpy of formation: -2398.590 kJ/mol - -analytic 77.81287E-1 00.00000E+0 -62.05356E+1 00.00000E+0 00.00000E+0 - -+1.000Pu+4 +1.000Br- = PuBr+3 - log_k +1.60 #01LEM/FUG - -analytic 16.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 +1.000Cl- = PuCl+3 - log_k +1.80 #01LEM/FUG - delta_h +19.820 #kJ/mol -# Enthalpy of formation: -687.155 kJ/mol - -analytic 52.72315E-1 00.00000E+0 -10.35271E+2 00.00000E+0 00.00000E+0 - -+1.000Pu+4 +1.000F- = PuF+3 - log_k +8.84 #01LEM/FUG - delta_h +9.100 #kJ/mol 01LEM/FUG -# Enthalpy of formation: -866.145 kJ/mol - -analytic 10.43425E+0 00.00000E+0 -47.53261E+1 00.00000E+0 00.00000E+0 - -+1.000Pu+4 +2.000F- = PuF2+2 - log_k +15.70 #01LEM/FUG - delta_h +11.000 #kJ/mol 01LEM/FUG -# Enthalpy of formation: -1199.595 kJ/mol - -analytic 17.62712E+0 00.00000E+0 -57.45700E+1 00.00000E+0 00.00000E+0 - -+1.000Pu+4 +3.000F- = PuF3+ - log_k +20.11 #01LEM/FUG - -analytic 20.11000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 +1.000H+ +1.000H2(PO4)- = PuH3PO4+4 - log_k +4.54 #01LEM/FUG - -analytic 45.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+3 +1.000I- = PuI+2 - log_k +1.10 #01LEM/FUG - -analytic 11.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Pu+4 +1.000I- = PuI+3 - log_k +1.62 #ANDRA report (C RP 0ENQ 02-001,Estimated by correlation with An(IV) in function of ionic radii) - -analytic 16.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 +1.000Acetate- = PuO2(Acetate)+ - log_k +2.87 #11RIC/GRI - -analytic 28.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 +2.000Acetate- = PuO2(Acetate)2 - log_k +4.77 #11RIC/GRI - -analytic 47.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 +3.000Acetate- = PuO2(Acetate)3- - log_k +6.19 #11RIC/GRI - -analytic 61.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 +1.000CO3-2 = PuO2(CO3) - log_k +9.50 #03GUI/FAN - -analytic 95.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+ +1.000CO3-2 = PuO2(CO3)- - log_k +5.03 #20GRE/GAO - -analytic 50.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 +2.000CO3-2 = PuO2(CO3)2-2 - log_k +14.70 #03GUI/FAN - delta_h -27.000 #kJ/mol 03GUI/FAN -# Enthalpy of formation: -2199.496 kJ/mol - -analytic 99.69803E-1 00.00000E+0 14.10308E+2 00.00000E+0 00.00000E+0 - -+1.000PuO2+ +2.000CO3-2 = PuO2(CO3)2-3 - log_k +6.34 #20GRE/GAO - -analytic 63.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 +3.000CO3-2 = PuO2(CO3)3-4 - log_k +18.00 #03GUI/FAN - delta_h -38.600 #kJ/mol 03GUI/FAN -# Enthalpy of formation: -2886.326 kJ/mol - -analytic 11.23757E+0 00.00000E+0 20.16218E+2 00.00000E+0 00.00000E+0 - -+1.000PuO2+ +3.000CO3-2 = PuO2(CO3)3-5 - log_k +5.61 #20GRE/GAO - -analytic 56.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000UO2+2 +1.000PuO2+2 +6.000CO3-2 = PuO2(CO3)6(UO2)2-6 - log_k +53.48 #20GRE/GAO - -analytic 53.48000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+ -1.000H+ +1.000H2(PO4)- = PuO2(HPO4)- - log_k -4.86 #NEA Guidelines in 01LEM/FUG - -analytic -48.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+ +1.000Nta-3 = PuO2(Nta)-2 - log_k +7.50 #95AKR/BOU - -analytic 75.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 -1.000H+ +1.000H2O = PuO2(OH)+ - log_k -5.50 #01LEM/FUG - delta_h +28.000 #kJ/mol 01LEM/FUG -# Enthalpy of formation: -1079.866 kJ/mol - -analytic -59.46106E-2 00.00000E+0 -14.62542E+2 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 -2.000H+ +2.000H2O = PuO2(OH)2 - log_k -13.20 #01LEM/FUG - -analytic -13.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 -3.000H+ +3.000H2O = PuO2(OH)3- - log_k -24.00 #20GRE/GAO - -analytic -24.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 -1.000H+ +1.000H4(SiO4) = PuO2(OSi(OH)3)+ - log_k -3.64 #03YUS/FED - -analytic -36.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 +1.000Ox-2 = PuO2(Ox) - log_k +7.00 #95AKR/BOU - -analytic 70.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 +2.000Ox-2 = PuO2(Ox)2-2 - log_k +10.50 #73POR/DEP in 95AKR/BOU - -analytic 10.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 +1.000Phthalat-2 = PuO2(Phthalat) - log_k +5.76 #11GRI/COL3 - -analytic 57.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 +1.000SO4-2 = PuO2(SO4) - log_k +3.38 #01LEM/FUG - delta_h +16.100 #kJ/mol 01LEM/FUG -# Enthalpy of formation: -1715.276 kJ/mol - -analytic 62.00599E-1 00.00000E+0 -84.09616E+1 00.00000E+0 00.00000E+0 - -+1.000PuO2+ +1.000SO4-2 = PuO2(SO4)- - log_k +1.26 #20GRE/GAO - -analytic 12.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 +2.000SO4-2 = PuO2(SO4)2-2 - log_k +4.40 #01LEM/FUG - delta_h +43.000 #kJ/mol 01LEM/FUG -# Enthalpy of formation: -2597.716 kJ/mol - -analytic 11.93328E+0 00.00000E+0 -22.46046E+2 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 +1.000Cl- = PuO2Cl+ - log_k +0.23 #03GUI/FAN - delta_h +4.187 #kJ/mol -# Enthalpy of formation: -984.929 kJ/mol - -analytic 96.35309E-2 00.00000E+0 -21.87022E+1 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 +2.000Cl- = PuO2Cl2 - log_k -1.15 #03GUI/FAN - -analytic -11.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+ +1.000F- = PuO2F - log_k +1.20 #In analogy to NpO2)F - -analytic 12.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 +1.000F- = PuO2F+ - log_k +4.56 #01LEM/FUG - delta_h -3.654 #kJ/mol -# Enthalpy of formation: -1161.039 kJ/mol - -analytic 39.19847E-1 00.00000E+0 19.08617E+1 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 +2.000F- = PuO2F2 - log_k +7.25 #01LEM/FUG - delta_h +1.206 #kJ/mol -# Enthalpy of formation: -1491.529 kJ/mol - -analytic 74.61282E-1 00.00000E+0 -62.99377E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 +3.000F- = PuO2F3- - log_k +9.59 #85SAW/CHA - delta_h +2.399 #kJ/mol -# Enthalpy of formation: -1825.686 kJ/mol - -analytic 10.01029E+0 00.00000E+0 -12.53085E+1 00.00000E+0 00.00000E+0 - -+1.000PuO2+2 +1.000NO3- = PuO2NO3+ - log_k +0.10 #12GRI/GAR1 (LogK selected in analogy to U (NEA recommendation), logK(UO2NO3 +)) - -analytic 10.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000PuO2+ -1.000H+ +1.000H2O = PuO2OH - log_k -11.30 #01LEM/FUG - delta_h +71.826 #kJ/mol -# Enthalpy of formation: -1124.131 kJ/mol - -analytic 12.83375E-1 00.00000E+0 -37.51733E+2 00.00000E+0 00.00000E+0 - -+1.000Ra+2 +1.000CO3-2 = Ra(CO3) - log_k +2.50 #99SCH - delta_h +4.496 #kJ/mol -# Enthalpy of formation: -1198.760 kJ/mol - -analytic 32.87665E-1 00.00000E+0 -23.48424E+1 00.00000E+0 00.00000E+0 - -+1.000H+ +1.000Ra+2 +1.000CO3-2 = Ra(HCO3)+ - log_k +10.92 #02ILE/TWE; Uncertainty to include available data. - -analytic 10.92000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000Ra+2 +1.000H2O = Ra(OH)+ - log_k -13.49 - delta_h +60.417 #kJ/mol 85LAN/RIE -# Enthalpy of formation: -753.438 kJ/mol - -analytic -29.05396E-1 00.00000E+0 -31.55800E+2 00.00000E+0 00.00000E+0 - --2.000H+ +1.000Ra+2 +2.000H2O = Ra(OH)2 - log_k -28.07 - delta_h +112.197 #kJ/mol -# Enthalpy of formation: -987.488 kJ/mol - -analytic -84.13929E-1 00.00000E+0 -58.60457E+2 00.00000E+0 00.00000E+0 - -+1.000Ra+2 +1.000SO4-2 = Ra(SO4) - log_k +2.76 - delta_h +5.472 #kJ/mol -# Enthalpy of formation: -1431.892 kJ/mol - -analytic 37.18653E-1 00.00000E+0 -28.58225E+1 00.00000E+0 00.00000E+0 - -+1.000Ra+2 +1.000Cl- = RaCl+ - log_k -0.10 #85LAN/RIE; Uncertainty to include available data. - delta_h +2.479 #kJ/mol -# Enthalpy of formation: -692.626 kJ/mol - -analytic 33.43022E-2 00.00000E+0 -12.94872E+1 00.00000E+0 00.00000E+0 - -+1.000Ra+2 +2.000Cl- = RaCl2 - log_k -0.10 - delta_h +0.495 #kJ/mol -# Enthalpy of formation: -861.689 kJ/mol - -analytic -13.27972E-3 00.00000E+0 -25.85565E+0 00.00000E+0 00.00000E+0 - -+1.000Ra+2 +1.000F- = RaF+ - log_k +0.48 #87BRO/WAN - -analytic 48.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Br- +1.000Rb+ = RbBr - log_k -1.24 - delta_h +13.836 #kJ/mol +Pu+3 + Acetate- = Pu(Acetate)+2 + log_k 2.85 #69MOS + -analytic 28.5E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + Acetate- = Pu(Acetate)+3 + log_k 5.93 #62SCH/NEB + -analytic 59.3E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + 2 Acetate- = Pu(Acetate)2+ + log_k 5.06 #69MOS + -analytic 50.6E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + 2 Acetate- = Pu(Acetate)2+2 + log_k 10.09 #62SCH/NEB + -analytic 10.09E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + 3 Acetate- = Pu(Acetate)3 + log_k 6.57 #69MOS + -analytic 65.7E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + Cit-3 = Pu(Cit) + log_k 8.55 #Analogy with Am + -analytic 85.5E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + 2 Cit-3 = Pu(Cit)2-3 + log_k 13.9 #Analogy with Am + -analytic 13.9E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + CO3-2 = Pu(CO3)+ + log_k 7.64 #Estimated by correlation with An(III) in function of ionic radii + delta_h 14.742 #kJ/mol +# Enthalpy of formation: -1252.279 kJ/mol + -analytic 10.22269E+0 00E+0 -77.00283E+1 00E+0 00E+0 + +Pu+3 + 2 CO3-2 = Pu(CO3)2- + log_k 12.54 #Estimated by correlation with An(III) in function of ionic radii + -analytic 12.54E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + 3 CO3-2 = Pu(CO3)3-3 + log_k 15.2 #Estimated by correlation with An(III) in function of ionic radii + -analytic 15.2E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + 4 CO3-2 = Pu(CO3)4-4 + log_k 37 #03GUI/FAN + -analytic 37E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + 5 CO3-2 = Pu(CO3)5-6 + log_k 35.65 #03GUI/FAN + -analytic 35.65E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + Edta-4 = Pu(Edta) + log_k 31.8 #Recommended in 05HUM/AND + -analytic 31.8E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + Edta-4 = Pu(Edta)- + log_k 20.18 #05HUM/AND + delta_h -8.7 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2305.290 kJ/mol + -analytic 18.65583E+0 00E+0 45.44326E+1 00E+0 00E+0 + +Pu+3 + H2(PO4)- = Pu(H2PO4)+2 + log_k 2.2 #10RAI/MOO + -analytic 22E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + H+ + Cit-3 = Pu(HCit)+ + log_k 12.86 #Analogy with Am + -analytic 12.86E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + 2 H+ + 2 Cit-3 = Pu(HCit)2- + log_k 23.52 #Analogy with Am + -analytic 23.52E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + H+ + Edta-4 = Pu(HEdta) + log_k 22.02 #05HUM/AND + -analytic 22.02E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 - H+ + H2(PO4)- = Pu(HPO4)+ + log_k -1.81 #Estimated by correlation with An(III) in function of ionic radii + -analytic -18.1E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+3 - 2 H+ + 2 H2(PO4)- = Pu(HPO4)2- + log_k -5.45 #Estimated by correlation with An(III) in function of ionic radii + -analytic -54.5E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + NO3- = Pu(NO3)+2 + log_k 1.33 #95SIL/BID, LogK selected in analogy to Am (NEA recommendation 95SIL/BID) + -analytic 13.3E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + NO3- = Pu(NO3)+3 + log_k 1.95 #01LEM/FUG + -analytic 19.5E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + Nta-3 = Pu(Nta) + log_k 13.1 #95AKR/BOU + -analytic 13.1E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + Nta-3 = Pu(Nta)+ + log_k 25.72 #16BON/AUP + -analytic 25.72E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 - H+ + H2O = Pu(OH)+2 + log_k -6.18 #20GRE/GAO + delta_h 30.753 #kJ/mol +# Enthalpy of formation: -846.866 kJ/mol + -analytic -79.23057E-2 00E+0 -16.06341E+2 00E+0 00E+0 + +Pu+4 - H+ + H2O = Pu(OH)+3 + log_k 0.6 #99NEC, 01NEC/KIM, 03GUI/FAN + delta_h 22.922 #kJ/mol +# Enthalpy of formation: -802.803 kJ/mol + -analytic 46.15762E-1 00E+0 -11.97299E+2 00E+0 00E+0 + +Pu+4 - 2 H+ + 2 CO3-2 + 2 H2O = Pu(OH)2(CO3)2-2 + log_k 18.21 #99RAI/HES1 + -analytic 18.21E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 - 2 H+ + HGlu- + 2 H2O = Pu(OH)2(HGlu) + log_k -10.97 #Analogy with Pu(OH)2(HIsa)(aq) + -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 - 2 H+ + HIsa- + 2 H2O = Pu(OH)2(HIsa) + log_k -10.97 #18TAS/GAO + -analytic -10.97E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 - 2 H+ + 2 H2O = Pu(OH)2+ + log_k -15.1 #Analogy with Am(III) + delta_h 89.712 #kJ/mol +# Enthalpy of formation: -1073.737 kJ/mol + -analytic 61.68677E-2 00E+0 -46.85984E+2 00E+0 00E+0 + +Pu+4 - 2 H+ + 2 H2O = Pu(OH)2+2 + log_k 0.6 #99NEC, 01NEC/KIM, 03GUI/FAN + delta_h 39.78 #kJ/mol +# Enthalpy of formation: -1071.775 kJ/mol + -analytic 75.69157E-1 00E+0 -20.77854E+2 00E+0 00E+0 + +Pu+4 - 2 H+ + Edta-4 + 2 H2O = Pu(OH)2Edta-2 + log_k 18.02 #21DIB/TAS + -analytic 18.02E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 - 3 H+ + 3 H2O = Pu(OH)3 + log_k -26.2 #20GRE/GAO + delta_h 151.892 #kJ/mol +# Enthalpy of formation: -1297.387 kJ/mol + -analytic 41.03361E-2 00E+0 -79.33872E+2 00E+0 00E+0 + +Pu+4 - 3 H+ + HGlu- + 3 H2O = Pu(OH)3(HGlu) + log_k 4.75 #06GAO/GRI + -analytic 47.5E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 - 3 H+ + 3 H2O = Pu(OH)3+ + log_k -2.3 #99NEC, 01NEC/KIM, 03GUI/FAN + delta_h 64.376 #kJ/mol +# Enthalpy of formation: -1333.008 kJ/mol + -analytic 89.78191E-1 00E+0 -33.62593E+2 00E+0 00E+0 + +Pu+4 - 3 H+ + Edta-4 + 3 H2O = Pu(OH)3Edta-3 + log_k 8.5 #21DIB/TAS + -analytic 85E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 - 4 H+ + 4 H2O = Pu(OH)4 + log_k -8.5 #03GUI/FAN + delta_h 98.586 #kJ/mol +# Enthalpy of formation: -1584.627 kJ/mol + -analytic 87.71526E-1 00E+0 -51.49505E+2 00E+0 00E+0 + +Pu+4 - 4 H+ + HGlu- + 4 H2O = Pu(OH)4(HGlu)- + log_k -2.7 #06GAO/GRI + -analytic -27E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 - 4 H+ + 2 HGlu- + 4 H2O = Pu(OH)4(HGlu)2-2 + log_k -2.83 #Analogy with An(IV)-ISA + -analytic -28.3E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 - 4 H+ + HIsa- + 4 H2O = Pu(OH)4(HIsa)- + log_k -5.03 #18TAS/GAO & TAS/GAO1 + -analytic -50.3E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 - 4 H+ + 2 HIsa- + 4 H2O = Pu(OH)4(HIsa)2-2 + log_k -2.83 #23ROD/COL + -analytic -28.3E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 - 5 H+ + HGlu- + 5 H2O = Pu(OH)5(HGlu)-2 + log_k -16.92 #Analogy with An(IV)-ISA + -analytic -16.92E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+4 - 5 H+ + HIsa- + 5 H2O = Pu(OH)5(HIsa)-2 + log_k -16.92 #18TAS/GAO & 18TAS/GAO1 + -analytic -16.92E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+4 - H+ + Edta-4 + H2O = Pu(OH)Edta- + log_k 23 #21DIB/TAS + -analytic 23E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + Ox-2 = Pu(Ox)+ + log_k 6.49 #12GRI/GAR2 + -analytic 64.9E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + Ox-2 = Pu(Ox)+2 + log_k 11.4 #05HUM/AND + -analytic 11.4E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + 2 Ox-2 = Pu(Ox)2 + log_k 20.6 #05HUM/AND + -analytic 20.6E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + 2 Ox-2 = Pu(Ox)2- + log_k 10.62 #12GRI/GAR2 + -analytic 10.62E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + 3 Ox-2 = Pu(Ox)3-2 + log_k 25.69 #05HUM/AND + -analytic 25.69E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + 3 Ox-2 = Pu(Ox)3-3 + log_k 13.22 #12GRI/GAR2 + -analytic 13.22E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 - 2 H+ + H2(PO4)- = Pu(PO4) + log_k -7.91 #Estimated by correlation with An(III) in function of ionic radii + -analytic -79.1E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+3 - 4 H+ + 2 H2(PO4)- = Pu(PO4)2-3 + log_k -19.71 #Estimated by correlation with An(III) in function of ionic radii + -analytic -19.71E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + SO4-2 = Pu(SO4)+ + log_k 3.91 #01LEM/FUG + delta_h 17.24 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -1483.890 kJ/mol + -analytic 69.30318E-1 00E+0 -90.05079E+1 00E+0 00E+0 + +Pu+4 + SO4-2 = Pu(SO4)+2 + log_k 6.89 #01LEM/FUG + delta_h 13.754 #kJ/mol +# Enthalpy of formation: -1435.481 kJ/mol + -analytic 92.99597E-1 00E+0 -71.84215E+1 00E+0 00E+0 + +Pu+4 + 2 SO4-2 = Pu(SO4)2 + log_k 11.14 #01LEM/FUG + delta_h 43.907 #kJ/mol +# Enthalpy of formation: -2314.667 kJ/mol + -analytic 18.83218E+0 00E+0 -22.93422E+2 00E+0 00E+0 + +Pu+3 + 2 SO4-2 = Pu(SO4)2- + log_k 5.7 #01LEM/FUG + delta_h 11.88 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -2398.590 kJ/mol + -analytic 77.81287E-1 00E+0 -62.05356E+1 00E+0 00E+0 + +Pu+4 + Br- = PuBr+3 + log_k 1.6 #01LEM/FUG + -analytic 16E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + Cl- = PuCl+3 + log_k 1.8 #01LEM/FUG + delta_h 19.82 #kJ/mol +# Enthalpy of formation: -687.155 kJ/mol + -analytic 52.72315E-1 00E+0 -10.35271E+2 00E+0 00E+0 + +Pu+4 + F- = PuF+3 + log_k 8.84 #01LEM/FUG + delta_h 9.1 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -866.145 kJ/mol + -analytic 10.43425E+0 00E+0 -47.53261E+1 00E+0 00E+0 + +Pu+4 + 2 F- = PuF2+2 + log_k 15.7 #01LEM/FUG + delta_h 11 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -1199.595 kJ/mol + -analytic 17.62712E+0 00E+0 -57.457E+1 00E+0 00E+0 + +Pu+4 + 3 F- = PuF3+ + log_k 20.11 #01LEM/FUG + -analytic 20.11E+0 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + H+ + H2(PO4)- = PuH3PO4+4 + log_k 4.54 #01LEM/FUG + -analytic 45.4E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+3 + I- = PuI+2 + log_k 1.1 #01LEM/FUG + -analytic 11E-1 00E+0 00E+0 00E+0 00E+0 + +Pu+4 + I- = PuI+3 + log_k 1.62 #ANDRA report (C RP 0ENQ 02-001,Estimated by correlation with An(IV) in function of ionic radii) + -analytic 16.2E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + Acetate- = PuO2(Acetate)+ + log_k 2.87 #11RIC/GRI + -analytic 28.7E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + 2 Acetate- = PuO2(Acetate)2 + log_k 4.77 #11RIC/GRI + -analytic 47.7E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + 3 Acetate- = PuO2(Acetate)3- + log_k 6.19 #11RIC/GRI + -analytic 61.9E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + CO3-2 = PuO2(CO3) + log_k 9.5 #03GUI/FAN + -analytic 95E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+ + CO3-2 = PuO2(CO3)- + log_k 5.03 #20GRE/GAO + -analytic 50.3E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + 2 CO3-2 = PuO2(CO3)2-2 + log_k 14.7 #03GUI/FAN + delta_h -27 #kJ/mol 03GUI/FAN +# Enthalpy of formation: -2199.496 kJ/mol + -analytic 99.69803E-1 00E+0 14.10308E+2 00E+0 00E+0 + +PuO2+ + 2 CO3-2 = PuO2(CO3)2-3 + log_k 6.34 #20GRE/GAO + -analytic 63.4E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + 3 CO3-2 = PuO2(CO3)3-4 + log_k 18 #03GUI/FAN + delta_h -38.6 #kJ/mol 03GUI/FAN +# Enthalpy of formation: -2886.326 kJ/mol + -analytic 11.23757E+0 00E+0 20.16218E+2 00E+0 00E+0 + +PuO2+ + 3 CO3-2 = PuO2(CO3)3-5 + log_k 5.61 #20GRE/GAO + -analytic 56.1E-1 00E+0 00E+0 00E+0 00E+0 + +2 UO2+2 + PuO2+2 + 6 CO3-2 = PuO2(CO3)6(UO2)2-6 + log_k 53.48 #20GRE/GAO + -analytic 53.48E+0 00E+0 00E+0 00E+0 00E+0 + +PuO2+ - H+ + H2(PO4)- = PuO2(HPO4)- + log_k -4.86 #NEA Guidelines in 01LEM/FUG + -analytic -48.6E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+ + Nta-3 = PuO2(Nta)-2 + log_k 7.5 #95AKR/BOU + -analytic 75E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 - H+ + H2O = PuO2(OH)+ + log_k -5.5 #01LEM/FUG + delta_h 28 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -1079.866 kJ/mol + -analytic -59.46106E-2 00E+0 -14.62542E+2 00E+0 00E+0 + +PuO2+2 - 2 H+ + 2 H2O = PuO2(OH)2 + log_k -13.2 #01LEM/FUG + -analytic -13.2E+0 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 - 3 H+ + 3 H2O = PuO2(OH)3- + log_k -24 #20GRE/GAO + -analytic -24E+0 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 - H+ + H4(SiO4) = PuO2(OSi(OH)3)+ + log_k -3.64 #03YUS/FED + -analytic -36.4E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + Ox-2 = PuO2(Ox) + log_k 7 #95AKR/BOU + -analytic 70E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + 2 Ox-2 = PuO2(Ox)2-2 + log_k 10.5 #73POR/DEP in 95AKR/BOU + -analytic 10.5E+0 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + Phthalat-2 = PuO2(Phthalat) + log_k 5.76 #11GRI/COL3 + -analytic 57.6E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + SO4-2 = PuO2(SO4) + log_k 3.38 #01LEM/FUG + delta_h 16.1 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -1715.276 kJ/mol + -analytic 62.00599E-1 00E+0 -84.09616E+1 00E+0 00E+0 + +PuO2+ + SO4-2 = PuO2(SO4)- + log_k 1.26 #20GRE/GAO + -analytic 12.6E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + 2 SO4-2 = PuO2(SO4)2-2 + log_k 4.4 #01LEM/FUG + delta_h 43 #kJ/mol 01LEM/FUG +# Enthalpy of formation: -2597.716 kJ/mol + -analytic 11.93328E+0 00E+0 -22.46046E+2 00E+0 00E+0 + +PuO2+2 + Cl- = PuO2Cl+ + log_k 0.23 #03GUI/FAN + delta_h 4.187 #kJ/mol +# Enthalpy of formation: -984.929 kJ/mol + -analytic 96.35309E-2 00E+0 -21.87022E+1 00E+0 00E+0 + +PuO2+2 + 2 Cl- = PuO2Cl2 + log_k -1.15 #03GUI/FAN + -analytic -11.5E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+ + F- = PuO2F + log_k 1.2 #In analogy to NpO2)F + -analytic 12E-1 00E+0 00E+0 00E+0 00E+0 + +PuO2+2 + F- = PuO2F+ + log_k 4.56 #01LEM/FUG + delta_h -3.654 #kJ/mol +# Enthalpy of formation: -1161.039 kJ/mol + -analytic 39.19847E-1 00E+0 19.08617E+1 00E+0 00E+0 + +PuO2+2 + 2 F- = PuO2F2 + log_k 7.25 #01LEM/FUG + delta_h 1.206 #kJ/mol +# Enthalpy of formation: -1491.529 kJ/mol + -analytic 74.61282E-1 00E+0 -62.99377E+0 00E+0 00E+0 + +PuO2+2 + 3 F- = PuO2F3- + log_k 9.59 #85SAW/CHA + delta_h 2.399 #kJ/mol +# Enthalpy of formation: -1825.686 kJ/mol + -analytic 10.01029E+0 00E+0 -12.53085E+1 00E+0 00E+0 + +PuO2+2 + NO3- = PuO2NO3+ + log_k 0.1 #12GRI/GAR1 (LogK selected in analogy to U (NEA recommendation), logK(UO2NO3 +)) + -analytic 10E-2 00E+0 00E+0 00E+0 00E+0 + +PuO2+ - H+ + H2O = PuO2OH + log_k -11.3 #01LEM/FUG + delta_h 71.826 #kJ/mol +# Enthalpy of formation: -1124.131 kJ/mol + -analytic 12.83375E-1 00E+0 -37.51733E+2 00E+0 00E+0 + +Ra+2 + CO3-2 = Ra(CO3) + log_k 2.5 #99SCH + delta_h 4.496 #kJ/mol +# Enthalpy of formation: -1198.760 kJ/mol + -analytic 32.87665E-1 00E+0 -23.48424E+1 00E+0 00E+0 + +H+ + Ra+2 + CO3-2 = Ra(HCO3)+ + log_k 10.92 #02ILE/TWE; Uncertainty to include available data. + -analytic 10.92E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + Ra+2 + H2O = Ra(OH)+ + log_k -13.49 + delta_h 60.417 #kJ/mol 85LAN/RIE +# Enthalpy of formation: -753.438 kJ/mol + -analytic -29.05396E-1 00E+0 -31.558E+2 00E+0 00E+0 + +- 2 H+ + Ra+2 + 2 H2O = Ra(OH)2 + log_k -28.07 + delta_h 112.197 #kJ/mol +# Enthalpy of formation: -987.488 kJ/mol + -analytic -84.13929E-1 00E+0 -58.60457E+2 00E+0 00E+0 + +Ra+2 + SO4-2 = Ra(SO4) + log_k 2.76 + delta_h 5.472 #kJ/mol +# Enthalpy of formation: -1431.892 kJ/mol + -analytic 37.18653E-1 00E+0 -28.58225E+1 00E+0 00E+0 + +Ra+2 + Cl- = RaCl+ + log_k -0.1 #85LAN/RIE; Uncertainty to include available data. + delta_h 2.479 #kJ/mol +# Enthalpy of formation: -692.626 kJ/mol + -analytic 33.43022E-2 00E+0 -12.94872E+1 00E+0 00E+0 + +Ra+2 + 2 Cl- = RaCl2 + log_k -0.1 + delta_h 0.495 #kJ/mol +# Enthalpy of formation: -861.689 kJ/mol + -analytic -13.27972E-3 00E+0 -25.85565E+0 00E+0 00E+0 + +Ra+2 + F- = RaF+ + log_k 0.48 #87BRO/WAN + -analytic 48E-2 00E+0 00E+0 00E+0 00E+0 + +Br- + Rb+ = RbBr + log_k -1.24 + delta_h 13.836 #kJ/mol # Enthalpy of formation: -358.694 kJ/mol 97SVE/SHO - -analytic 11.83963E-1 00.00000E+0 -72.27046E+1 00.00000E+0 00.00000E+0 + -analytic 11.83963E-1 00E+0 -72.27046E+1 00E+0 00E+0 -+1.000Cl- +1.000Rb+ = RbCl - log_k -1.01 - delta_h +13.189 #kJ/mol +Cl- + Rb+ = RbCl + log_k -1.01 + delta_h 13.189 #kJ/mol # Enthalpy of formation: -405.011 kJ/mol 97SVE/SHO - -analytic 13.00614E-1 00.00000E+0 -68.89094E+1 00.00000E+0 00.00000E+0 + -analytic 13.00614E-1 00E+0 -68.89094E+1 00E+0 00E+0 -+1.000F- +1.000Rb+ = RbF - log_k +0.94 - delta_h +1.923 #kJ/mol +F- + Rb+ = RbF + log_k 0.94 + delta_h 1.923 #kJ/mol # Enthalpy of formation: -584.547 kJ/mol 97SVE/SHO - -analytic 12.76895E-1 00.00000E+0 -10.04453E+1 00.00000E+0 00.00000E+0 + -analytic 12.76895E-1 00E+0 -10.04453E+1 00E+0 00E+0 -+1.000I- +1.000Rb+ = RbI - log_k -0.84 - delta_h +6.987 #kJ/mol +I- + Rb+ = RbI + log_k -0.84 + delta_h 6.987 #kJ/mol # Enthalpy of formation: -300.913 kJ/mol 97SVE/SHO - -analytic 38.40699E-2 00.00000E+0 -36.49564E+1 00.00000E+0 00.00000E+0 + -analytic 38.40699E-2 00E+0 -36.49564E+1 00E+0 00E+0 --1.000H+ +1.000Rb+ +1.000H2O = RbOH - log_k -14.26 - delta_h +64.158 #kJ/mol +- H+ + Rb+ + H2O = RbOH + log_k -14.26 + delta_h 64.158 #kJ/mol # Enthalpy of formation: -472.792 kJ/mol 97SHO/SAS2 - -analytic -30.20001E-1 00.00000E+0 -33.51206E+2 00.00000E+0 00.00000E+0 + -analytic -30.20001E-1 00E+0 -33.51206E+2 00E+0 00E+0 --1.000H+ +1.000HS- = S-2 - log_k -17.10 #04CHI - delta_h +73.278 #kJ/mol -# Enthalpy of formation: +56.978 kJ/mol - -analytic -42.62245E-1 00.00000E+0 -38.27577E+2 00.00000E+0 00.00000E+0 +- H+ + HS- = S-2 + log_k -17.1 #04CHI + delta_h 73.278 #kJ/mol +# Enthalpy of formation: +56.978 kJ/mol + -analytic -42.62245E-1 00E+0 -38.27577E+2 00E+0 00E+0 --2.000H+ -2.000e- +2.000HS- = S2-2 - log_k -10.54 - delta_h +67.640 #kJ/mol +- 2 H+ - 2 e- + 2 HS- = S2-2 + log_k -10.54 + delta_h 67.64 #kJ/mol # Enthalpy of formation: +35.040 kJ/mol 04CHI - -analytic 13.10019E-1 00.00000E+0 -35.33083E+2 00.00000E+0 00.00000E+0 + -analytic 13.10019E-1 00E+0 -35.33083E+2 00E+0 00E+0 -+2.000H+ +2.000SO3-2 -1.000H2O = S2O5-2 - log_k +12.85 #85GOL/PAR - delta_h +2.606 #kJ/mol -# Enthalpy of formation: -973.684 kJ/mol - -analytic 13.30655E+0 00.00000E+0 -13.61209E+1 00.00000E+0 00.00000E+0 +2 H+ + 2 SO3-2 - H2O = S2O5-2 + log_k 12.85 #85GOL/PAR + delta_h 2.606 #kJ/mol +# Enthalpy of formation: -973.684 kJ/mol + -analytic 13.30655E+0 00E+0 -13.61209E+1 00E+0 00E+0 --2.000e- +2.000SO4-2 = S2O8-2 - log_k -65.38 - delta_h +473.980 #kJ/mol +- 2 e- + 2 SO4-2 = S2O8-2 + log_k -65.38 + delta_h 473.98 #kJ/mol # Enthalpy of formation: -1344.700 kJ/mol 82WAG/EVA - -analytic 17.65773E+0 00.00000E+0 -24.75770E+3 00.00000E+0 00.00000E+0 + -analytic 17.65773E+0 00E+0 -24.7577E+3 00E+0 00E+0 --3.000H+ -4.000e- +3.000HS- = S3-2 - log_k -6.51 - delta_h +74.840 #kJ/mol +- 3 H+ - 4 e- + 3 HS- = S3-2 + log_k -6.51 + delta_h 74.84 #kJ/mol # Enthalpy of formation: +25.940 kJ/mol 74NAU/RYZ - -analytic 66.01405E-1 00.00000E+0 -39.09165E+2 00.00000E+0 00.00000E+0 + -analytic 66.01405E-1 00E+0 -39.09165E+2 00E+0 00E+0 -+6.000H+ +2.000e- +3.000SO3-2 -3.000H2O = S3O6-2 - log_k +36.82 - delta_h -131.646 #kJ/mol +6 H+ + 2 e- + 3 SO3-2 - 3 H2O = S3O6-2 + log_k 36.82 + delta_h -131.646 #kJ/mol # Enthalpy of formation: -1167.336 kJ/mol 04CHI - -analytic 13.75661E+0 00.00000E+0 68.76349E+2 00.00000E+0 00.00000E+0 + -analytic 13.75661E+0 00E+0 68.76349E+2 00E+0 00E+0 --4.000H+ -6.000e- +4.000HS- = S4-2 - log_k -3.58 - delta_h +88.210 #kJ/mol +- 4 H+ - 6 e- + 4 HS- = S4-2 + log_k -3.58 + delta_h 88.21 #kJ/mol # Enthalpy of formation: +23.010 kJ/mol 74NAU/RYZ - -analytic 11.87373E+0 00.00000E+0 -46.07529E+2 00.00000E+0 00.00000E+0 + -analytic 11.87373E+0 00E+0 -46.07529E+2 00E+0 00E+0 -+12.000H+ +6.000e- +4.000SO3-2 -6.000H2O = S4O6-2 - log_k +90.80 - delta_h -414.978 #kJ/mol +12 H+ + 6 e- + 4 SO3-2 - 6 H2O = S4O6-2 + log_k 90.8 + delta_h -414.978 #kJ/mol # Enthalpy of formation: -1224.238 kJ/mol 04CHI - -analytic 18.09898E+0 00.00000E+0 21.67581E+3 00.00000E+0 00.00000E+0 + -analytic 18.09898E+0 00E+0 21.67581E+3 00E+0 00E+0 --5.000H+ -8.000e- +5.000HS- = S5-2 - log_k -0.87 - delta_h +102.840 #kJ/mol +- 5 H+ - 8 e- + 5 HS- = S5-2 + log_k -0.87 + delta_h 102.84 #kJ/mol # Enthalpy of formation: +21.340 kJ/mol 74NAU/RYZ - -analytic 17.14679E+0 00.00000E+0 -53.71707E+2 00.00000E+0 00.00000E+0 + -analytic 17.14679E+0 00E+0 -53.71707E+2 00E+0 00E+0 -+18.000H+ +10.000e- +5.000SO3-2 -9.000H2O = S5O6-2 - log_k +115.39 - delta_h -592.874 #kJ/mol +18 H+ + 10 e- + 5 SO3-2 - 9 H2O = S5O6-2 + log_k 115.39 + delta_h -592.874 #kJ/mol # Enthalpy of formation: -1175.704 kJ/mol 04CHI - -analytic 11.52293E+0 00.00000E+0 30.96797E+3 00.00000E+0 00.00000E+0 + -analytic 11.52293E+0 00E+0 30.96797E+3 00E+0 00E+0 -+2.000H+ +1.000Sb(OH)3 -2.000H2O = Sb(OH)+2 - log_k +0.74 #99LOT/OCH - -analytic 74.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +2 H+ + Sb(OH)3 - 2 H2O = Sb(OH)+2 + log_k 0.74 #99LOT/OCH + -analytic 74E-2 00E+0 00E+0 00E+0 00E+0 -+1.000H+ +1.000Sb(OH)3 -1.000H2O = Sb(OH)2+ - log_k +1.33 #77ANT/NEV and others recalculated - -analytic 13.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +H+ + Sb(OH)3 - H2O = Sb(OH)2+ + log_k 1.33 #77ANT/NEV and others recalculated + -analytic 13.3E-1 00E+0 00E+0 00E+0 00E+0 --1.000H+ +1.000Sb(OH)3 +1.000H2O = Sb(OH)4- - log_k -11.82 #52GAY/GAR recalculated - -analytic -11.82000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +- H+ + Sb(OH)3 + H2O = Sb(OH)4- + log_k -11.82 #52GAY/GAR recalculated + -analytic -11.82E+0 00E+0 00E+0 00E+0 00E+0 -+1.000H+ +1.000Sb(OH)5 -1.000H2O = Sb(OH)4+ - log_k -3.26 #57PIT/POU in 99LOT/OCH - -analytic -32.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +H+ + Sb(OH)5 - H2O = Sb(OH)4+ + log_k -3.26 #57PIT/POU in 99LOT/OCH + -analytic -32.6E-1 00E+0 00E+0 00E+0 00E+0 --1.000H+ +1.000Sb(OH)5 +1.000H2O = Sb(OH)6- - log_k -2.72 #63LEF/MAR in 76BAE/MES - -analytic -27.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +- H+ + Sb(OH)5 + H2O = Sb(OH)6- + log_k -2.72 #63LEF/MAR in 76BAE/MES + -analytic -27.2E-1 00E+0 00E+0 00E+0 00E+0 -+3.000H+ +1.000Sb(OH)3 -3.000H2O = Sb+3 - log_k -0.73 #99LOT/OCH - -analytic -73.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +3 H+ + Sb(OH)3 - 3 H2O = Sb+3 + log_k -0.73 #99LOT/OCH + -analytic -73E-2 00E+0 00E+0 00E+0 00E+0 --4.000H+ +12.000Sb(OH)5 +4.000H2O = Sb12(OH)64-4 - log_k +20.34 #63LEF/MAR in 76BAE/MES - -analytic 20.34000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +- 4 H+ + 12 Sb(OH)5 + 4 H2O = Sb12(OH)64-4 + log_k 20.34 #63LEF/MAR in 76BAE/MES + -analytic 20.34E+0 00E+0 00E+0 00E+0 00E+0 --5.000H+ +12.000Sb(OH)5 +5.000H2O = Sb12(OH)65-5 - log_k +16.72 #63LEF/MAR in 76BAE/MES - -analytic 16.72000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +- 5 H+ + 12 Sb(OH)5 + 5 H2O = Sb12(OH)65-5 + log_k 16.72 #63LEF/MAR in 76BAE/MES + -analytic 16.72E+0 00E+0 00E+0 00E+0 00E+0 --6.000H+ +12.000Sb(OH)5 +6.000H2O = Sb12(OH)66-6 - log_k +11.89 #63LEF/MAR in 76BAE/MES - -analytic 11.89000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +- 6 H+ + 12 Sb(OH)5 + 6 H2O = Sb12(OH)66-6 + log_k 11.89 #63LEF/MAR in 76BAE/MES + -analytic 11.89E+0 00E+0 00E+0 00E+0 00E+0 --7.000H+ +12.000Sb(OH)5 +7.000H2O = Sb12(OH)67-7 - log_k +6.07 #63LEF/MAR in 76BAE/MES - -analytic 60.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +- 7 H+ + 12 Sb(OH)5 + 7 H2O = Sb12(OH)67-7 + log_k 6.07 #63LEF/MAR in 76BAE/MES + -analytic 60.7E-1 00E+0 00E+0 00E+0 00E+0 -+4.000H+ +4.000HS- +2.000Sb(OH)3 -6.000H2O = Sb2H2S4 - log_k +57.81 #88KRU - -analytic 57.81000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +4 H+ + 4 HS- + 2 Sb(OH)3 - 6 H2O = Sb2H2S4 + log_k 57.81 #88KRU + -analytic 57.81E+0 00E+0 00E+0 00E+0 00E+0 -+3.000H+ +4.000HS- +2.000Sb(OH)3 -6.000H2O = Sb2HS4- - log_k +52.90 #88KRU - -analytic 52.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +3 H+ + 4 HS- + 2 Sb(OH)3 - 6 H2O = Sb2HS4- + log_k 52.9 #88KRU + -analytic 52.9E+0 00E+0 00E+0 00E+0 00E+0 -+2.000H+ +4.000HS- +2.000Sb(OH)3 -6.000H2O = Sb2S4-2 - log_k +43.38 #88KRU - -analytic 43.38000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +2 H+ + 4 HS- + 2 Sb(OH)3 - 6 H2O = Sb2S4-2 + log_k 43.38 #88KRU + -analytic 43.38E+0 00E+0 00E+0 00E+0 00E+0 -+3.000H+ +1.000Cl- +1.000Sb(OH)3 -3.000H2O = SbCl+2 - log_k +2.80 #70BON/WAU and others recalculated - -analytic 28.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +3 H+ + Cl- + Sb(OH)3 - 3 H2O = SbCl+2 + log_k 2.8 #70BON/WAU and others recalculated + -analytic 28E-1 00E+0 00E+0 00E+0 00E+0 -+3.000H+ +2.000Cl- +1.000Sb(OH)3 -3.000H2O = SbCl2+ - log_k +3.27 #70BON/WAU and others recalculated - -analytic 32.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +3 H+ + 2 Cl- + Sb(OH)3 - 3 H2O = SbCl2+ + log_k 3.27 #70BON/WAU and others recalculated + -analytic 32.7E-1 00E+0 00E+0 00E+0 00E+0 -+3.000H+ +1.000F- +1.000Sb(OH)3 -3.000H2O = SbF+2 - log_k +6.37 #70BON recalculated - -analytic 63.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+3.000H+ +2.000F- +1.000Sb(OH)3 -3.000H2O = SbF2+ - log_k +12.42 #70BON recalculated - -analytic 12.42000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+3.000H+ +3.000F- +1.000Sb(OH)3 -3.000H2O = SbF3 - log_k +18.20 #70BON recalculated - -analytic 18.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000HSe- = Se-2 - log_k -14.91 - -analytic -14.91000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ -2.000e- +2.000HSe- = Se2-2 - log_k -4.50 #05OLI/NOL - -analytic -45.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --3.000H+ -4.000e- +3.000HSe- = Se3-2 - log_k +5.24 #05OLI/NOL - -analytic 52.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --4.000H+ -6.000e- +4.000HSe- = Se4-2 - log_k +13.38 #05OLI/NOL - -analytic 13.38000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +2.000H4(SiO4) -1.000H2O = Si2O2(OH)5- - log_k -8.50 #01FEL/CHO - -analytic -85.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +2.000H4(SiO4) -1.000H2O = Si2O3(OH)4-2 - log_k -19.40 #01FEL/CHO - -analytic -19.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --3.000H+ +3.000H4(SiO4) -2.000H2O = Si3O5(OH)5-3 - log_k -29.40 #01FEL/CHO - -analytic -29.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --3.000H+ +3.000H4(SiO4) -3.000H2O = Si3O6(OH)3-3 - log_k -29.30 #01FEL/CHO - -analytic -29.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +4.000H4(SiO4) -4.000H2O = Si4O6(OH)6-2 - log_k -15.60 #01FEL/CHO - -analytic -15.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --4.000H+ +4.000H4(SiO4) -3.000H2O = Si4O7(OH)6-4 - log_k -39.10 #01FEL/CHO - -analytic -39.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --4.000H+ +4.000H4(SiO4) -4.000H2O = Si4O8(OH)4-4 - log_k -39.20 #01FEL/CHO - -analytic -39.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --6.000H+ +6.000H4(SiO4) -9.000H2O = Si6O15-6 - log_k -61.80 #01FEL/CHO - -analytic -61.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sm+3 +1.000CO3-2 = Sm(CO3)+ - log_k +7.80 #95SPA/BRU - delta_h +23.851 #kJ/mol -# Enthalpy of formation: -1342.577 kJ/mol - -analytic 11.97852E+0 00.00000E+0 -12.45824E+2 00.00000E+0 00.00000E+0 - -+1.000Sm+3 +2.000CO3-2 = Sm(CO3)2- - log_k +12.80 #95SPA/BRU - -analytic 12.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sm+3 +3.000CO3-2 = Sm(CO3)3-3 - log_k +14.80 #05VER/VIT2 - -analytic 14.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sm+3 +1.000H2(PO4)- = Sm(H2PO4)+2 - log_k +2.35 #95SPA/BRU - -analytic 23.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sm+3 +1.000H+ +1.000CO3-2 = Sm(HCO3)+2 - log_k +12.43 #95SPA/BRU - -analytic 12.43000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sm+3 -1.000H+ +1.000H2(PO4)- = Sm(HPO4)+ - log_k -1.61 #95SPA/BRU - -analytic -16.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sm+3 -2.000H+ +2.000H2(PO4)- = Sm(HPO4)2- - log_k -5.02 #95SPA/BRU - -analytic -50.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sm+3 +1.000NO3- = Sm(NO3)+2 - log_k +0.90 #95SPA/BRU - -analytic 90.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sm+3 -1.000H+ +1.000H2O = Sm(OH)+2 - log_k -7.90 #95SPA/BRU - delta_h +48.805 #kJ/mol -# Enthalpy of formation: -928.223 kJ/mol - -analytic 65.02690E-2 00.00000E+0 -25.49263E+2 00.00000E+0 00.00000E+0 - -+1.000Sm+3 -2.000H+ +2.000H2O = Sm(OH)2+ - log_k -15.70 #07NEC/ALT2 - delta_h +101.371 #kJ/mol -# Enthalpy of formation: -1161.487 kJ/mol - -analytic 20.59437E-1 00.00000E+0 -52.94976E+2 00.00000E+0 00.00000E+0 - -+1.000Sm+3 -3.000H+ +3.000H2O = Sm(OH)3 - log_k -26.20 #07NEC/ALT2 - delta_h +160.126 #kJ/mol -# Enthalpy of formation: -1388.562 kJ/mol - -analytic 18.52871E-1 00.00000E+0 -83.63963E+2 00.00000E+0 00.00000E+0 - -+1.000Sm+3 -4.000H+ +4.000H2O = Sm(OH)4- - log_k -40.70 #07NEC/ALT2 - delta_h +232.448 #kJ/mol -# Enthalpy of formation: -1602.069 kJ/mol - -analytic 23.14152E-3 00.00000E+0 -12.14160E+3 00.00000E+0 00.00000E+0 - -+1.000Sm+3 -2.000H+ +1.000H2(PO4)- = Sm(PO4) - log_k -7.46 #95SPA/BRU - -analytic -74.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sm+3 -4.000H+ +2.000H2(PO4)- = Sm(PO4)2-3 - log_k -18.72 #95SPA/BRU - -analytic -18.72000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sm+3 +1.000SO4-2 = Sm(SO4)+ - log_k +3.50 #95SPA/BRU - delta_h +16.584 #kJ/mol -# Enthalpy of formation: -1583.954 kJ/mol - -analytic 64.05392E-1 00.00000E+0 -86.62426E+1 00.00000E+0 00.00000E+0 - -+1.000Sm+3 +2.000SO4-2 = Sm(SO4)2- - log_k +5.20 #95SPA/BRU - delta_h +24.918 #kJ/mol -# Enthalpy of formation: -2484.959 kJ/mol - -analytic 95.65446E-1 00.00000E+0 -13.01558E+2 00.00000E+0 00.00000E+0 - -+1.000Sm+3 +1.000Br- = SmBr+2 - log_k +0.23 #96FAL/REA - delta_h -1.358 #kJ/mol -# Enthalpy of formation: -813.965 kJ/mol - -analytic -79.11387E-4 00.00000E+0 70.93328E+0 00.00000E+0 00.00000E+0 - -+1.000Sm+3 +1.000Cl- = SmCl+2 - log_k +0.72 #Original data 01LUO/BYR and 07LUO/BYR - delta_h +3.583 #kJ/mol -# Enthalpy of formation: -854.695 kJ/mol - -analytic 13.47715E-1 00.00000E+0 -18.71531E+1 00.00000E+0 00.00000E+0 - -+1.000Sm+3 +1.000F- = SmF+2 - log_k +4.21 #07LUO/BYR - delta_h +7.970 #kJ/mol 04LUO/MIL -# Enthalpy of formation: -1018.578 kJ/mol - -analytic 56.06284E-1 00.00000E+0 -41.63021E+1 00.00000E+0 00.00000E+0 - -+1.000Sm+3 +2.000F- = SmF2+ - log_k +6.43 #Original data 99SCH/BYR and 04LUO/BYR - delta_h +18.850 #kJ/mol 04LUO/MIL -# Enthalpy of formation: -1343.048 kJ/mol - -analytic 97.32378E-1 00.00000E+0 -98.46041E+1 00.00000E+0 00.00000E+0 - -+1.000Sm+3 -1.000H+ +1.000H4(SiO4) = SmSiO(OH)3+2 - log_k -2.62 #Orginal data 07THA/SIN and 96JEN/CHO1 - -analytic -26.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +1.000Cit-3 = Sn(Cit)- - log_k +8.70 #95AKR/BOU - -analytic 87.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +2.000Cit-3 = Sn(Cit)2-4 - log_k +11.90 #95AKR/BOU - -analytic 11.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +1.000Edta-4 = Sn(Edta)-2 - log_k +24.60 #95AKR/BOU - -analytic 24.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +2.000H+ +1.000Edta-4 = Sn(H2Edta) - log_k +24.30 #95AKR/BOU - -analytic 24.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +1.000H+ +1.000Edta-4 = Sn(HEdta)- - log_k +23.40 #95AKR/BOU - -analytic 23.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +1.000Nta-3 = Sn(Nta)- - log_k +13.40 #95AKR/BOU - -analytic 13.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 -1.000H+ +1.000H2O = Sn(OH)+ - log_k -3.53 #12GAM/GAJ - delta_h +18.611 #kJ/mol -# Enthalpy of formation: -276.835 kJ/mol - -analytic -26.94928E-2 00.00000E+0 -97.21202E+1 00.00000E+0 00.00000E+0 - -+1.000Sn+2 -2.000H+ +2.000H2O = Sn(OH)2 - log_k -7.68 #12GAM/GAJ - delta_h +40.762 #kJ/mol -# Enthalpy of formation: -540.515 kJ/mol - -analytic -53.88041E-2 00.00000E+0 -21.29148E+2 00.00000E+0 00.00000E+0 - -+1.000Sn+2 -3.000H+ +3.000H2O = Sn(OH)3- - log_k -16.43 - delta_h +89.189 #kJ/mol -# Enthalpy of formation: -777.917 kJ/mol - -analytic -80.47579E-2 00.00000E+0 -46.58666E+2 00.00000E+0 00.00000E+0 - -+1.000Sn+4 -4.000H+ +4.000H2O = Sn(OH)4 - log_k +7.54 - delta_h -49.205 #kJ/mol -# Enthalpy of formation: -1224.035 kJ/mol - -analytic -10.80346E-1 00.00000E+0 25.70156E+2 00.00000E+0 00.00000E+0 - -+1.000Sn+4 -5.000H+ +5.000H2O = Sn(OH)5- - log_k -1.06 - -analytic -10.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+4 -6.000H+ +6.000H2O = Sn(OH)6-2 - log_k -11.13 - -analytic -11.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 -1.000H+ +1.000Cl- +1.000H2O = Sn(OH)Cl - log_k -3.10 #52VAN/RHO recalculated in 02HUM/BER - -analytic -31.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +1.000Ox-2 = Sn(Ox) - log_k +6.50 #95AKR/BOU - -analytic 65.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +2.000Ox-2 = Sn(Ox)2-2 - log_k +12.90 #95AKR/BOU - -analytic 12.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +3.000Ox-2 = Sn(Ox)3-4 - log_k +17.10 #95AKR/BOU - -analytic 17.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +1.000SO4-2 = Sn(SO4) - log_k +3.43 #12GAM/GAJ - delta_h +16.900 #kJ/mol Suggested but not selected in 12GAM/GAJ -# Enthalpy of formation: -902.057 kJ/mol - -analytic 63.90753E-1 00.00000E+0 -88.27485E+1 00.00000E+0 00.00000E+0 - -+3.000Sn+2 -4.000H+ +4.000H2O = Sn3(OH)4+2 - log_k -5.60 #12GAM/GAJ - -analytic -56.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +1.000Br- = SnBr+ - log_k +1.33 #12GAM/GAJ - -analytic 13.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +2.000Br- = SnBr2 - log_k +1.97 #12GAM/GAJ - -analytic 19.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +3.000Br- = SnBr3- - log_k +1.93 #12GAM/GAJ - -analytic 19.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +1.000Cl- = SnCl+ - log_k +1.52 #12GAM/GAJ - delta_h +12.700 #kJ/mol 12GAM/GAJ -# Enthalpy of formation: -163.997 kJ/mol - -analytic 37.44944E-1 00.00000E+0 -66.33672E+1 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +2.000Cl- = SnCl2 - log_k +2.17 #12GAM/GAJ - delta_h +19.700 #kJ/mol 12GAM/GAJ -# Enthalpy of formation: -324.077 kJ/mol - -analytic 56.21292E-1 00.00000E+0 -10.29003E+2 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +3.000Cl- = SnCl3- - log_k +2.13 #12GAM/GAJ - -analytic 21.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +4.000Cl- = SnCl4-2 - log_k +2.03 #12GAM/GAJ - -analytic 20.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +1.000F- = SnF+ - log_k +5.25 #12GAM/GAJ - delta_h -9.580 #kJ/mol -# Enthalpy of formation: -354.546 kJ/mol - -analytic 35.71656E-1 00.00000E+0 50.03983E+1 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +2.000F- = SnF2 - log_k +8.89 #12GAM/GAJ - delta_h -9.969 #kJ/mol -# Enthalpy of formation: -690.285 kJ/mol - -analytic 71.43506E-1 00.00000E+0 52.07171E+1 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +3.000F- = SnF3- - log_k +11.50 #12GAM/GAJ - delta_h -4.479 #kJ/mol -# Enthalpy of formation: -1020.145 kJ/mol - -analytic 10.71531E+0 00.00000E+0 23.39545E+1 00.00000E+0 00.00000E+0 - -+1.000Sn+2 -1.000H+ +1.000H2(PO4)- = SnHPO4 - log_k +2.29 #00CIA/IUL - -analytic 22.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +1.000I- = SnI+ - log_k +1.74 #68HAI/JOH1 recalculated - -analytic 17.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 +2.000I- = SnI2 - log_k +2.69 #68HAI/JOH1 recalculated - -analytic 26.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sn+2 -2.000H+ +1.000H2(PO4)- = SnPO4- - log_k -1.56 #00CIA/IUL - -analytic -15.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000H+ +1.000SO3-2 -1.000H2O = SO2 - log_k +9.03 - delta_h +21.450 #kJ/mol +3 H+ + F- + Sb(OH)3 - 3 H2O = SbF+2 + log_k 6.37 #70BON recalculated + -analytic 63.7E-1 00E+0 00E+0 00E+0 00E+0 + +3 H+ + 2 F- + Sb(OH)3 - 3 H2O = SbF2+ + log_k 12.42 #70BON recalculated + -analytic 12.42E+0 00E+0 00E+0 00E+0 00E+0 + +3 H+ + 3 F- + Sb(OH)3 - 3 H2O = SbF3 + log_k 18.2 #70BON recalculated + -analytic 18.2E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + HSe- = Se-2 + log_k -14.91 + -analytic -14.91E+0 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ - 2 e- + 2 HSe- = Se2-2 + log_k -4.5 #05OLI/NOL + -analytic -45E-1 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ - 4 e- + 3 HSe- = Se3-2 + log_k 5.24 #05OLI/NOL + -analytic 52.4E-1 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ - 6 e- + 4 HSe- = Se4-2 + log_k 13.38 #05OLI/NOL + -analytic 13.38E+0 00E+0 00E+0 00E+0 00E+0 + +- H+ + 2 H4(SiO4) - H2O = Si2O2(OH)5- + log_k -8.5 #01FEL/CHO + -analytic -85E-1 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + 2 H4(SiO4) - H2O = Si2O3(OH)4-2 + log_k -19.4 #01FEL/CHO + -analytic -19.4E+0 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ + 3 H4(SiO4) - 2 H2O = Si3O5(OH)5-3 + log_k -29.4 #01FEL/CHO + -analytic -29.4E+0 00E+0 00E+0 00E+0 00E+0 + +- 3 H+ + 3 H4(SiO4) - 3 H2O = Si3O6(OH)3-3 + log_k -29.3 #01FEL/CHO + -analytic -29.3E+0 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + 4 H4(SiO4) - 4 H2O = Si4O6(OH)6-2 + log_k -15.6 #01FEL/CHO + -analytic -15.6E+0 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + 4 H4(SiO4) - 3 H2O = Si4O7(OH)6-4 + log_k -39.1 #01FEL/CHO + -analytic -39.1E+0 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + 4 H4(SiO4) - 4 H2O = Si4O8(OH)4-4 + log_k -39.2 #01FEL/CHO + -analytic -39.2E+0 00E+0 00E+0 00E+0 00E+0 + +- 6 H+ + 6 H4(SiO4) - 9 H2O = Si6O15-6 + log_k -61.8 #01FEL/CHO + -analytic -61.8E+0 00E+0 00E+0 00E+0 00E+0 + +Sm+3 + CO3-2 = Sm(CO3)+ + log_k 7.8 #95SPA/BRU + delta_h 23.851 #kJ/mol +# Enthalpy of formation: -1342.577 kJ/mol + -analytic 11.97852E+0 00E+0 -12.45824E+2 00E+0 00E+0 + +Sm+3 + 2 CO3-2 = Sm(CO3)2- + log_k 12.8 #95SPA/BRU + -analytic 12.8E+0 00E+0 00E+0 00E+0 00E+0 + +Sm+3 + 3 CO3-2 = Sm(CO3)3-3 + log_k 14.8 #05VER/VIT2 + -analytic 14.8E+0 00E+0 00E+0 00E+0 00E+0 + +Sm+3 + H2(PO4)- = Sm(H2PO4)+2 + log_k 2.35 #95SPA/BRU + -analytic 23.5E-1 00E+0 00E+0 00E+0 00E+0 + +Sm+3 + H+ + CO3-2 = Sm(HCO3)+2 + log_k 12.43 #95SPA/BRU + -analytic 12.43E+0 00E+0 00E+0 00E+0 00E+0 + +Sm+3 - H+ + H2(PO4)- = Sm(HPO4)+ + log_k -1.61 #95SPA/BRU + -analytic -16.1E-1 00E+0 00E+0 00E+0 00E+0 + +Sm+3 - 2 H+ + 2 H2(PO4)- = Sm(HPO4)2- + log_k -5.02 #95SPA/BRU + -analytic -50.2E-1 00E+0 00E+0 00E+0 00E+0 + +Sm+3 + NO3- = Sm(NO3)+2 + log_k 0.9 #95SPA/BRU + -analytic 90E-2 00E+0 00E+0 00E+0 00E+0 + +Sm+3 - H+ + H2O = Sm(OH)+2 + log_k -7.9 #95SPA/BRU + delta_h 48.805 #kJ/mol +# Enthalpy of formation: -928.223 kJ/mol + -analytic 65.0269E-2 00E+0 -25.49263E+2 00E+0 00E+0 + +Sm+3 - 2 H+ + 2 H2O = Sm(OH)2+ + log_k -15.7 #07NEC/ALT2 + delta_h 101.371 #kJ/mol +# Enthalpy of formation: -1161.487 kJ/mol + -analytic 20.59437E-1 00E+0 -52.94976E+2 00E+0 00E+0 + +Sm+3 - 3 H+ + 3 H2O = Sm(OH)3 + log_k -26.2 #07NEC/ALT2 + delta_h 160.126 #kJ/mol +# Enthalpy of formation: -1388.562 kJ/mol + -analytic 18.52871E-1 00E+0 -83.63963E+2 00E+0 00E+0 + +Sm+3 - 4 H+ + 4 H2O = Sm(OH)4- + log_k -40.7 #07NEC/ALT2 + delta_h 232.448 #kJ/mol +# Enthalpy of formation: -1602.069 kJ/mol + -analytic 23.14152E-3 00E+0 -12.1416E+3 00E+0 00E+0 + +Sm+3 - 2 H+ + H2(PO4)- = Sm(PO4) + log_k -7.46 #95SPA/BRU + -analytic -74.6E-1 00E+0 00E+0 00E+0 00E+0 + +Sm+3 - 4 H+ + 2 H2(PO4)- = Sm(PO4)2-3 + log_k -18.72 #95SPA/BRU + -analytic -18.72E+0 00E+0 00E+0 00E+0 00E+0 + +Sm+3 + SO4-2 = Sm(SO4)+ + log_k 3.5 #95SPA/BRU + delta_h 16.584 #kJ/mol +# Enthalpy of formation: -1583.954 kJ/mol + -analytic 64.05392E-1 00E+0 -86.62426E+1 00E+0 00E+0 + +Sm+3 + 2 SO4-2 = Sm(SO4)2- + log_k 5.2 #95SPA/BRU + delta_h 24.918 #kJ/mol +# Enthalpy of formation: -2484.959 kJ/mol + -analytic 95.65446E-1 00E+0 -13.01558E+2 00E+0 00E+0 + +Sm+3 + Br- = SmBr+2 + log_k 0.23 #96FAL/REA + delta_h -1.358 #kJ/mol +# Enthalpy of formation: -813.965 kJ/mol + -analytic -79.11387E-4 00E+0 70.93328E+0 00E+0 00E+0 + +Sm+3 + Cl- = SmCl+2 + log_k 0.72 #Original data 01LUO/BYR and 07LUO/BYR + delta_h 3.583 #kJ/mol +# Enthalpy of formation: -854.695 kJ/mol + -analytic 13.47715E-1 00E+0 -18.71531E+1 00E+0 00E+0 + +Sm+3 + F- = SmF+2 + log_k 4.21 #07LUO/BYR + delta_h 7.97 #kJ/mol 04LUO/MIL +# Enthalpy of formation: -1018.578 kJ/mol + -analytic 56.06284E-1 00E+0 -41.63021E+1 00E+0 00E+0 + +Sm+3 + 2 F- = SmF2+ + log_k 6.43 #Original data 99SCH/BYR and 04LUO/BYR + delta_h 18.85 #kJ/mol 04LUO/MIL +# Enthalpy of formation: -1343.048 kJ/mol + -analytic 97.32378E-1 00E+0 -98.46041E+1 00E+0 00E+0 + +Sm+3 - H+ + H4(SiO4) = SmSiO(OH)3+2 + log_k -2.62 #Orginal data 07THA/SIN and 96JEN/CHO1 + -analytic -26.2E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + Cit-3 = Sn(Cit)- + log_k 8.7 #95AKR/BOU + -analytic 87E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + 2 Cit-3 = Sn(Cit)2-4 + log_k 11.9 #95AKR/BOU + -analytic 11.9E+0 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + Edta-4 = Sn(Edta)-2 + log_k 24.6 #95AKR/BOU + -analytic 24.6E+0 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + 2 H+ + Edta-4 = Sn(H2Edta) + log_k 24.3 #95AKR/BOU + -analytic 24.3E+0 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + H+ + Edta-4 = Sn(HEdta)- + log_k 23.4 #95AKR/BOU + -analytic 23.4E+0 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + Nta-3 = Sn(Nta)- + log_k 13.4 #95AKR/BOU + -analytic 13.4E+0 00E+0 00E+0 00E+0 00E+0 + +Sn+2 - H+ + H2O = Sn(OH)+ + log_k -3.53 #12GAM/GAJ + delta_h 18.611 #kJ/mol +# Enthalpy of formation: -276.835 kJ/mol + -analytic -26.94928E-2 00E+0 -97.21202E+1 00E+0 00E+0 + +Sn+2 - 2 H+ + 2 H2O = Sn(OH)2 + log_k -7.68 #12GAM/GAJ + delta_h 40.762 #kJ/mol +# Enthalpy of formation: -540.515 kJ/mol + -analytic -53.88041E-2 00E+0 -21.29148E+2 00E+0 00E+0 + +Sn+2 - 3 H+ + 3 H2O = Sn(OH)3- + log_k -16.43 + delta_h 89.189 #kJ/mol +# Enthalpy of formation: -777.917 kJ/mol + -analytic -80.47579E-2 00E+0 -46.58666E+2 00E+0 00E+0 + +Sn+4 - 4 H+ + 4 H2O = Sn(OH)4 + log_k 7.54 + delta_h -49.205 #kJ/mol +# Enthalpy of formation: -1224.035 kJ/mol + -analytic -10.80346E-1 00E+0 25.70156E+2 00E+0 00E+0 + +Sn+4 - 5 H+ + 5 H2O = Sn(OH)5- + log_k -1.06 + -analytic -10.6E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+4 - 6 H+ + 6 H2O = Sn(OH)6-2 + log_k -11.13 + -analytic -11.13E+0 00E+0 00E+0 00E+0 00E+0 + +Sn+2 - H+ + Cl- + H2O = Sn(OH)Cl + log_k -3.1 #52VAN/RHO recalculated in 02HUM/BER + -analytic -31E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + Ox-2 = Sn(Ox) + log_k 6.5 #95AKR/BOU + -analytic 65E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + 2 Ox-2 = Sn(Ox)2-2 + log_k 12.9 #95AKR/BOU + -analytic 12.9E+0 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + 3 Ox-2 = Sn(Ox)3-4 + log_k 17.1 #95AKR/BOU + -analytic 17.1E+0 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + SO4-2 = Sn(SO4) + log_k 3.43 #12GAM/GAJ + delta_h 16.9 #kJ/mol Suggested but not selected in 12GAM/GAJ +# Enthalpy of formation: -902.057 kJ/mol + -analytic 63.90753E-1 00E+0 -88.27485E+1 00E+0 00E+0 + +3 Sn+2 - 4 H+ + 4 H2O = Sn3(OH)4+2 + log_k -5.6 #12GAM/GAJ + -analytic -56E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + Br- = SnBr+ + log_k 1.33 #12GAM/GAJ + -analytic 13.3E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + 2 Br- = SnBr2 + log_k 1.97 #12GAM/GAJ + -analytic 19.7E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + 3 Br- = SnBr3- + log_k 1.93 #12GAM/GAJ + -analytic 19.3E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + Cl- = SnCl+ + log_k 1.52 #12GAM/GAJ + delta_h 12.7 #kJ/mol 12GAM/GAJ +# Enthalpy of formation: -163.997 kJ/mol + -analytic 37.44944E-1 00E+0 -66.33672E+1 00E+0 00E+0 + +Sn+2 + 2 Cl- = SnCl2 + log_k 2.17 #12GAM/GAJ + delta_h 19.7 #kJ/mol 12GAM/GAJ +# Enthalpy of formation: -324.077 kJ/mol + -analytic 56.21292E-1 00E+0 -10.29003E+2 00E+0 00E+0 + +Sn+2 + 3 Cl- = SnCl3- + log_k 2.13 #12GAM/GAJ + -analytic 21.3E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + 4 Cl- = SnCl4-2 + log_k 2.03 #12GAM/GAJ + -analytic 20.3E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + F- = SnF+ + log_k 5.25 #12GAM/GAJ + delta_h -9.58 #kJ/mol +# Enthalpy of formation: -354.546 kJ/mol + -analytic 35.71656E-1 00E+0 50.03983E+1 00E+0 00E+0 + +Sn+2 + 2 F- = SnF2 + log_k 8.89 #12GAM/GAJ + delta_h -9.969 #kJ/mol +# Enthalpy of formation: -690.285 kJ/mol + -analytic 71.43506E-1 00E+0 52.07171E+1 00E+0 00E+0 + +Sn+2 + 3 F- = SnF3- + log_k 11.5 #12GAM/GAJ + delta_h -4.479 #kJ/mol +# Enthalpy of formation: -1020.145 kJ/mol + -analytic 10.71531E+0 00E+0 23.39545E+1 00E+0 00E+0 + +Sn+2 - H+ + H2(PO4)- = SnHPO4 + log_k 2.29 #00CIA/IUL + -analytic 22.9E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + I- = SnI+ + log_k 1.74 #68HAI/JOH1 recalculated + -analytic 17.4E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 + 2 I- = SnI2 + log_k 2.69 #68HAI/JOH1 recalculated + -analytic 26.9E-1 00E+0 00E+0 00E+0 00E+0 + +Sn+2 - 2 H+ + H2(PO4)- = SnPO4- + log_k -1.56 #00CIA/IUL + -analytic -15.6E-1 00E+0 00E+0 00E+0 00E+0 + +2 H+ + SO3-2 - H2O = SO2 + log_k 9.03 + delta_h 21.45 #kJ/mol # Enthalpy of formation: -323.780 kJ/mol 85GOL/PAR - -analytic 12.78788E+0 00.00000E+0 -11.20412E+2 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000Cit-3 = Sr(Cit)- - log_k +4.24 #95AKR/BOU - -analytic 42.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 -1.000H+ +2.000Cit-3 +1.000H2O = Sr(Cit)2(OH)-5 - log_k -1.78 #95AKR/BOU - -analytic -17.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +2.000Cit-3 = Sr(Cit)2-4 - log_k +4.84 #95AKR/BOU - -analytic 48.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000CO3-2 = Sr(CO3) - log_k +2.81 #84BUS/PLU - delta_h +21.796 #kJ/mol -# Enthalpy of formation: -1204.335 kJ/mol - -analytic 66.28495E-1 00.00000E+0 -11.38484E+2 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000Edta-4 = Sr(Edta)-2 - log_k +10.30 #95AKR/BOU - -analytic 10.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +2.000H+ +1.000Cit-3 = Sr(H2Cit)+ - log_k +12.46 #95AKR/BOU - -analytic 12.46000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000H2(PO4)- = Sr(H2PO4)+ - log_k +0.83 #97MAR/SMI; Uncertainty to include available data. - -analytic 83.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000H+ +1.000Cit-3 = Sr(HCit) - log_k +9.00 #95AKR/BOU - -analytic 90.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000H+ +1.000CO3-2 = Sr(HCO3)+ - log_k +11.51 #84BUS/PLUS - delta_h +10.597 #kJ/mol -# Enthalpy of formation: -1215.533 kJ/mol - -analytic 13.36651E+0 00.00000E+0 -55.35199E+1 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000H+ +1.000Edta-4 = Sr(HEdta)- - log_k +14.70 #95AKR/BOU - -analytic 14.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000H+ +1.000Ox-2 = Sr(HOx)+ - log_k +5.80 #95AKR/BOU - -analytic 58.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +2.000H+ +2.000Ox-2 = Sr(HOx)2 - log_k +10.80 #95AKR/BOU - -analytic 10.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 -1.000H+ +1.000H2(PO4)- = Sr(HPO4) - log_k -4.70 #97MAR/SMI; Uncertainty to include available data. - -analytic -47.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000IO3- = Sr(IO3)+ - log_k +0.33 #estimation NEA87 01/02/95 - -analytic 33.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +2.000IO3- = Sr(IO3)2 - log_k -0.55 #estimation NEA87 01/02/95 - -analytic -55.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000NH3 = Sr(NH3)+2 - log_k -0.55 #estimation NEA87 08/02/95 - -analytic -55.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000NO3- = Sr(NO3)+ - log_k +0.60 #96FAL/REA - -analytic 60.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +2.000NO3- = Sr(NO3)2 - log_k +0.31 #96FAL/REA - -analytic 31.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000Nta-3 = Sr(Nta)- - log_k +6.25 #95AKR/BOU - -analytic 62.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 -1.000H+ +1.000H2O = Sr(OH)+ - log_k -13.29 #76BAE/MES - delta_h +82.608 #kJ/mol -# Enthalpy of formation: -754.122 kJ/mol - -analytic 11.82300E-1 00.00000E+0 -43.14916E+2 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000Ox-2 = Sr(Ox) - log_k +2.54 #95AKR/BOU - -analytic 25.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +2.000Ox-2 = Sr(Ox)2-2 - log_k +3.00 #95AKR/BOU - -analytic 30.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 -2.000H+ +1.000H2(PO4)- = Sr(PO4)- - log_k -13.56 #96BOU1 - -analytic -13.56000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000Pyrophos-4 = Sr(Pyrophos)-2 - log_k +5.40 #76SMI/MAR - -analytic 54.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000S2O3-2 = Sr(S2O3) - log_k +2.04 #76SMI/MAR - -analytic 20.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000SO4-2 = Sr(SO4) - log_k +2.30 #06BLA/IGN - delta_h +7.029 #kJ/mol 06BLA/IGN -# Enthalpy of formation: -1453.211 kJ/mol - -analytic 35.31428E-1 00.00000E+0 -36.71502E+1 00.00000E+0 00.00000E+0 - -+2.000Sr+2 -1.000H+ +1.000Cit-3 +1.000H2O = Sr2(Cit)(OH) - log_k +0.38 #95AKR/BOU - -analytic 38.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Sr+2 +1.000UO2+2 +3.000CO3-2 = Sr2UO2(CO3)3 - log_k +29.70 #20GRE/GAO - -analytic 29.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000B(OH)4- = SrB(OH)4+ - log_k +1.55 #80BAS - -analytic 15.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000Cl- = SrCl+ - log_k +0.23 #96BOU1 - delta_h +4.926 #kJ/mol -# Enthalpy of formation: -713.054 kJ/mol - -analytic 10.92998E-1 00.00000E+0 -25.73029E+1 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000F- = SrF+ - log_k +0.30 #96BOU - delta_h +16.740 #kJ/mol 96BOU -# Enthalpy of formation: -869.510 kJ/mol - -analytic 32.32722E-1 00.00000E+0 -87.43911E+1 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +2.000F- = SrF2 - log_k +2.02 #96FAL/REA - -analytic 20.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000I- = SrI+ - log_k +0.14 #estimation NEA87 01/02/95 - -analytic 14.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +2.000I- = SrI2 - log_k -0.04 #estimation NEA87 01/02/95 - -analytic -40.00000E-3 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Sr+2 +1.000UO2+2 +3.000CO3-2 = SrUO2(CO3)3-2 - log_k +25.90 #20GRE/GAO - -analytic 25.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000TcO(OH)2 +2.000H+ -2.000H2O = Tc2O2(OH)2+2 - log_k +12.99 #20GRE/GAO - -analytic 12.99000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000TcO(OH)2 +2.000H+ +1.000CO3-2 -1.000H2O = TcCO3(OH)2 - log_k +19.25 #99RAR/RAN - -analytic 19.25000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000TcO(OH)2 +1.000H+ +1.000CO3-2 = TcCO3(OH)3- - log_k +10.95 #99RAR/RAN - -analytic 10.95000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000TcO(OH)2 +1.000H+ -1.000H2O +1.000Acetate- = TcO(OH)(Acetate) - log_k +5.55 #11RIC/GRI - -analytic 55.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000TcO(OH)2 +1.000H+ +1.000Nta-3 -1.000H2O = TcO(OH)(Nta)-2 - log_k +13.30 #95AKR/BOU - -analytic 13.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000TcO(OH)2 +1.000H+ +2.000Nta-3 -1.000H2O = TcO(OH)(Nta)2-5 - log_k +11.70 #95AKR/BOU - -analytic 11.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000TcO(OH)2 +1.000Cit-3 = TcO(OH)2Cit-3 - log_k +2.80 #13WAL/KAR - -analytic 28.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000TcO(OH)2 -1.000H+ +1.000H2O = TcO(OH)3- - log_k -10.92 #20GRE/GAO - delta_h +39.030 #kJ/mol 97NGU/LAN -# Enthalpy of formation: -996.043 kJ/mol - -analytic -40.82238E-1 00.00000E+0 -20.38679E+2 00.00000E+0 00.00000E+0 - -+1.000TcO(OH)2 +2.000H+ +1.000Ox-2 -2.000H2O = TcO(Ox) - log_k +9.80 #06XIA/HES - -analytic 98.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000TcO(OH)2 +2.000H+ +2.000Ox-2 -2.000H2O = TcO(Ox)2-2 - log_k +13.66 #06XIA/HES - -analytic 13.66000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +1.000Acetate- = Th(Acetate)+3 - log_k +5.24 #11RIC/GRI - -analytic 52.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +2.000Acetate- = Th(Acetate)2+2 - log_k +9.44 #11RIC/GRI - -analytic 94.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +3.000Acetate- = Th(Acetate)3+ - log_k +12.56 #11RIC/GRI - -analytic 12.56000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +4.000Acetate- = Th(Acetate)4 - log_k +14.38 #11RIC/GRI - -analytic 14.38000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +5.000Acetate- = Th(Acetate)5- - log_k +15.37 #11RIC/GRI - -analytic 15.37000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +1.000Cit-3 = Th(Cit)+ - log_k +14.13 #87RAY/DUF - -analytic 14.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +2.000Cit-3 = Th(Cit)2-2 - log_k +24.29 #87RAY/DUF - -analytic 24.29000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +5.000CO3-2 = Th(CO3)5-6 - log_k +31.00 #09RAN/FUG - -analytic 31.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +1.000Edta-4 = Th(Edta) - log_k +26.95 #95AKR/BOU - -analytic 26.95000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +1.000H2(PO4)- = Th(H2PO4)+3 - log_k +5.59 #09RAN/FUG - -analytic 55.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +2.000H2(PO4)- = Th(H2PO4)2+2 - log_k +10.48 #09RAN/FUG - -analytic 10.48000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +1.000H+ +2.000H2(PO4)- = Th(H3PO4)(H2PO4)+3 - log_k +9.70 #09RAN/FUG - -analytic 97.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +1.000H+ +1.000H2(PO4)- = Th(H3PO4)+4 - log_k +4.03 #09RAN/FUG - -analytic 40.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +1.000H+ +1.000Edta-4 = Th(HEdta)+ - log_k +28.70 #95AKR/BOU - -analytic 28.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +1.000H+ +1.000Ox-2 = Th(HOx)+3 - log_k +11.00 #95AKR/BOU - -analytic 11.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +2.000H+ +2.000Ox-2 = Th(HOx)2+2 - log_k +18.13 #95AKR/BOU - -analytic 18.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +4.000H+ +4.000Ox-2 = Th(HOx)4 - log_k +24.30 #95AKR/BOU - -analytic 24.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +1.000Malonate-2 = Th(Malonate)+2 - log_k +9.32 #13GRI/CAM - -analytic 93.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +2.000Malonate-2 = Th(Malonate)2 - log_k +16.07 #13GRI/CAM - -analytic 16.07000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +3.000Malonate-2 = Th(Malonate)3-2 - log_k +19.63 #13GRI/CAM - -analytic 19.63000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +1.000NO3- = Th(NO3)+3 - log_k +1.30 #09RAN/FUG - -analytic 13.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +2.000NO3- = Th(NO3)2+2 - log_k +2.30 #09RAN/FUG - -analytic 23.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +1.000Nta-3 = Th(Nta)+ - log_k +19.73 #16BON/AUP - -analytic 19.73000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 -1.000H+ +4.000CO3-2 +1.000H2O = Th(OH)(CO3)4-5 - log_k +21.60 #09RAN/FUG - -analytic 21.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 -1.000H+ +1.000Edta-4 +1.000H2O = Th(OH)(Edta)- - log_k +19.50 #95AKR/BOU - -analytic 19.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 -1.000H+ +1.000H2O = Th(OH)+3 - log_k -2.50 #09RAN/FUG - delta_h +44.200 #kJ/mol 09RAN/FUG -# Enthalpy of formation: -1010.330 kJ/mol - -analytic 52.43508E-1 00.00000E+0 -23.08727E+2 00.00000E+0 00.00000E+0 - -+1.000Th+4 -2.000H+ +1.000CO3-2 +2.000H2O = Th(OH)2(CO3) - log_k +2.50 #09RAN/FUG - -analytic 25.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 -2.000H+ +2.000CO3-2 +2.000H2O = Th(OH)2(CO3)2-2 - log_k +8.80 #09RAN/FUG - -analytic 88.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 -2.000H+ +2.000H2O = Th(OH)2+2 - log_k -6.20 #09RAN/FUG - delta_h +85.700 #kJ/mol 09RAN/FUG -# Enthalpy of formation: -1254.660 kJ/mol - -analytic 88.13996E-1 00.00000E+0 -44.76423E+2 00.00000E+0 00.00000E+0 - -+1.000Th+4 -2.000H+ +1.000Edta-4 +2.000H2O = Th(OH)2Edta-2 - log_k +11.50 #03XIA/FEL - -analytic 11.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 -3.000H+ +1.000CO3-2 +3.000H2O = Th(OH)3(CO3)- - log_k -3.70 #09RAN/FUG - -analytic -37.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 -3.000H+ +2.000HGlu- +3.000H2O = Th(OH)3(HGlu)2- - log_k -4.90 #Analogy with An(IV)-ISA - -analytic -49.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 -3.000H+ +2.000HIsa- +3.000H2O = Th(OH)3(HIsa)2- - log_k -4.90 #09RAI/YUI - -analytic -49.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 -3.000H+ +3.000H2O = Th(OH)3+ - log_k -11.00 #10GRI/RIB - delta_h +125.623 #kJ/mol -# Enthalpy of formation: -1500.566 kJ/mol - -analytic 11.00820E+0 00.00000E+0 -65.61746E+2 00.00000E+0 00.00000E+0 - -+1.000Th+4 -3.000H+ +1.000Edta-4 +3.000H2O = Th(OH)3Edta-3 - log_k -4.00 #03XIA/FEL - -analytic -40.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 -4.000H+ +4.000H2O = Th(OH)4 - log_k -17.40 #09RAN/FUG - delta_h +152.688 #kJ/mol -# Enthalpy of formation: -1759.331 kJ/mol - -analytic 93.49789E-1 00.00000E+0 -79.75450E+2 00.00000E+0 00.00000E+0 - -+1.000Th+4 -4.000H+ +1.000CO3-2 +4.000H2O = Th(OH)4(CO3)-2 - log_k -15.60 #09RAN/FUG - -analytic -15.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 -4.000H+ +1.000HGlu- +4.000H2O = Th(OH)4(HGlu)- - log_k -14.70 #Analogy with An(IV)-ISA - -analytic -14.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 -4.000H+ +2.000HGlu- +4.000H2O = Th(OH)4(HGlu)2-2 - log_k -12.50 #Analogy with An(IV)-ISA - -analytic -12.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 -4.000H+ +1.000HIsa- +4.000H2O = Th(OH)4(HIsa)- - log_k -14.70 #Reevaluated from 09RAI/YUI - -analytic -14.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 -4.000H+ +2.000HIsa- +4.000H2O = Th(OH)4(HIsa)2-2 - log_k -12.50 #Reevaluated from 09RAI/YUI - -analytic -12.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +1.000Ox-2 = Th(Ox)+2 - log_k +9.70 #08SAS/TAK; 09KOB/SAS - -analytic 97.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +2.000Ox-2 = Th(Ox)2 - log_k +16.00 #08SAS/TAK; 09KOB/SAS - -analytic 16.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +3.000Ox-2 = Th(Ox)3-2 - log_k +22.20 #08SAS/TAK; 09KOB/SAS - -analytic 22.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +1.000SO4-2 = Th(SO4)+2 - log_k +6.17 #09RAN/FUG - delta_h +20.920 #kJ/mol 09RAN/FUG -# Enthalpy of formation: -1657.120 kJ/mol - -analytic 98.35027E-1 00.00000E+0 -10.92728E+2 00.00000E+0 00.00000E+0 - -+1.000Th+4 +2.000SO4-2 = Th(SO4)2 - log_k +9.69 #09RAN/FUG - delta_h +40.380 #kJ/mol 09RAN/FUG -# Enthalpy of formation: -2547.000 kJ/mol - -analytic 16.76427E+0 00.00000E+0 -21.09194E+2 00.00000E+0 00.00000E+0 - -+1.000Th+4 +3.000SO4-2 = Th(SO4)3-2 - log_k +10.75 #09RAN/FUG - -analytic 10.75000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +1.000Succinat-2 = Th(Succinat)+2 - log_k +8.49 #13GRI/CAM - -analytic 84.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +2.000Succinat-2 = Th(Succinat)2 - log_k +12.92 #13GRI/CAM - -analytic 12.92000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +3.000Succinat-2 = Th(Succinat)3-2 - log_k +16.62 #13GRI/CAM - -analytic 16.62000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Th+4 -2.000H+ +2.000H2O = Th2(OH)2+6 - log_k -5.90 #09RAN/FUG - delta_h +58.300 #kJ/mol 09RAN/FUG -# Enthalpy of formation: -2050.760 kJ/mol - -analytic 43.13722E-1 00.00000E+0 -30.45221E+2 00.00000E+0 00.00000E+0 - -+2.000Th+4 -3.000H+ +3.000H2O = Th2(OH)3+5 - log_k -6.80 #09RAN/FUG - -analytic -68.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+4.000Th+4 -12.000H+ +12.000H2O = Th4(OH)12+4 - log_k -26.60 #09RAN/FUG - -analytic -26.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+4.000Th+4 -8.000H+ +8.000H2O = Th4(OH)8+8 - log_k -20.40 #09RAN/FUG - delta_h +243.000 #kJ/mol 09RAN/FUG -# Enthalpy of formation: -5118.440 kJ/mol - -analytic 22.17177E+0 00.00000E+0 -12.69277E+3 00.00000E+0 00.00000E+0 - -+6.000Th+4 -14.000H+ +14.000H2O = Th6(OH)14+10 - log_k -36.80 #09RAN/FUG - -analytic -36.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+6.000Th+4 -15.000H+ +15.000H2O = Th6(OH)15+9 - log_k -36.80 #09RAN/FUG - delta_h +472.800 #kJ/mol 09RAN/FUG -# Enthalpy of formation: -8426.850 kJ/mol - -analytic 46.03100E+0 00.00000E+0 -24.69606E+3 00.00000E+0 00.00000E+0 - -+1.000Th+4 +1.000Cl- = ThCl+3 - log_k +1.70 #09RAN/FUG - -analytic 17.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +1.000F- = ThF+3 - log_k +8.87 #09RAN/FUG - delta_h -0.400 #kJ/mol 09RAN/FUG -# Enthalpy of formation: -1104.450 kJ/mol - -analytic 87.99923E-1 00.00000E+0 20.89346E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +2.000F- = ThF2+2 - log_k +15.63 #09RAN/FUG - delta_h -3.300 #kJ/mol 09RAN/FUG -# Enthalpy of formation: -1442.700 kJ/mol - -analytic 15.05186E+0 00.00000E+0 17.23710E+1 00.00000E+0 00.00000E+0 - -+1.000Th+4 +3.000F- = ThF3+ - log_k +20.67 #09RAN/FUG - -analytic 20.67000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Th+4 +4.000F- = ThF4 - log_k +25.58 #09RAN/FUG - -analytic 25.58000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 +1.000Acetate- = U(Acetate)+3 - log_k +5.64 #12GRI/GAR2 - -analytic 56.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 +2.000Acetate- = U(Acetate)2+2 - log_k +9.81 #12GRI/GAR2 - -analytic 98.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 +4.000CO3-2 = U(CO3)4-4 - log_k +35.12 #03GUI/FAN - -analytic 35.12000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 +5.000CO3-2 = U(CO3)5-6 - log_k +34.00 #03GUI/FAN - delta_h -20.000 #kJ/mol 03GUI/FAN -# Enthalpy of formation: -3987.350 kJ/mol - -analytic 30.49615E+0 00.00000E+0 10.44673E+2 00.00000E+0 00.00000E+0 - -+1.000U+4 +1.000Edta-4 = U(Edta) - log_k +29.50 #05HUM/AND - -analytic 29.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 +1.000NO3- = U(NO3)+3 - log_k +1.47 #92GRE/FUG - -analytic 14.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 +2.000NO3- = U(NO3)2+2 - log_k +2.30 #92GRE/FUG - -analytic 23.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 +1.000Nta-3 = U(Nta)+ - log_k +20.00 #95AKR/BOU - -analytic 20.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 -1.000H+ +1.000Edta-4 +1.000H2O = U(OH)(Edta)- - log_k +22.70 #23ROD/COL - -analytic 22.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 -1.000H+ +1.000H2O = U(OH)+3 - log_k -0.54 #20GRE/GAO - delta_h +46.910 #kJ/mol -# Enthalpy of formation: -830.119 kJ/mol - -analytic 76.78279E-1 00.00000E+0 -24.50280E+2 00.00000E+0 00.00000E+0 - -+1.000U+4 -2.000H+ +2.000CO3-2 +2.000H2O = U(OH)2(CO3)2-2 - log_k +14.36 #98RAI/HES - -analytic 14.36000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 -2.000H+ +1.000Edta-4 +2.000H2O = U(OH)2(Edta)-2 - log_k +16.68 #23ROD/COL - -analytic 16.68000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 -2.000H+ +2.000H2O = U(OH)2+2 - log_k -1.90 #20GRE/GAO - delta_h +59.014 #kJ/mol -# Enthalpy of formation: -1103.845 kJ/mol - -analytic 84.38809E-1 00.00000E+0 -30.82516E+2 00.00000E+0 00.00000E+0 - -+1.000U+4 -3.000H+ +1.000Edta-4 +3.000H2O = U(OH)3(Edta)-3 - log_k +7.06 #23ROD/COL - -analytic 70.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 -3.000H+ +3.000H2O = U(OH)3+ - log_k -5.20 #20GRE/GAO - delta_h +89.407 #kJ/mol -# Enthalpy of formation: -1359.281 kJ/mol - -analytic 10.46343E+0 00.00000E+0 -46.70053E+2 00.00000E+0 00.00000E+0 - -+1.000U+4 -4.000H+ +4.000H2O = U(OH)4 - log_k -10.00 #03GUI/FAN - delta_h +109.870 #kJ/mol -# Enthalpy of formation: -1624.649 kJ/mol - -analytic 92.48398E-1 00.00000E+0 -57.38910E+2 00.00000E+0 00.00000E+0 - -+1.000U+4 -4.000H+ +1.000HGlu- +4.000H2O = U(OH)4(HGlu)- - log_k -7.60 #Analogy with An(IV)-ISA - -analytic -76.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 -4.000H+ +2.000HGlu- +4.000H2O = U(OH)4(HGlu)2-2 - log_k -5.40 #Analogy with An(IV)-ISA - -analytic -54.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 -4.000H+ +1.000HIsa- +4.000H2O = U(OH)4(HIsa)- - log_k -7.60 #19KOB/SAS - -analytic -76.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 -4.000H+ +2.000HIsa- +4.000H2O = U(OH)4(HIsa)2-2 - log_k -5.40 #19KOB/SAS - -analytic -54.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 +2.000Ox-2 = U(Ox)2 - log_k +18.63 #12GRI/GAR2 - -analytic 18.63000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 +3.000Ox-2 = U(Ox)3-2 - log_k +24.19 #12GRI/GAR2 - -analytic 24.19000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 +1.000SO4-2 = U(SO4)+2 - log_k +6.58 #92GRE/FUG - delta_h +8.000 #kJ/mol 92GRE/FUG -# Enthalpy of formation: -1492.540 kJ/mol - -analytic 79.81540E-1 00.00000E+0 -41.78691E+1 00.00000E+0 00.00000E+0 - -+1.000U+4 +2.000SO4-2 = U(SO4)2 - log_k +10.51 #92GRE/FUG - delta_h +32.700 #kJ/mol 92GRE/FUG -# Enthalpy of formation: -2377.180 kJ/mol - -analytic 16.23879E+0 00.00000E+0 -17.08040E+2 00.00000E+0 00.00000E+0 - -+1.000U+4 +1.000Br- = UBr+3 - log_k +1.46 #92GRE/FUG - -analytic 14.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 +1.000Cl- = UCl+3 - log_k +1.72 #92GRE/FUG - delta_h -19.000 #kJ/mol 92GRE/FUG -# Enthalpy of formation: -777.280 kJ/mol - -analytic -16.08657E-1 00.00000E+0 99.24391E+1 00.00000E+0 00.00000E+0 - -+1.000U+4 +1.000F- = UF+3 - log_k +9.42 #03GUI/FAN - delta_h -5.600 #kJ/mol 92GRE/FUG -# Enthalpy of formation: -932.150 kJ/mol - -analytic 84.38922E-1 00.00000E+0 29.25084E+1 00.00000E+0 00.00000E+0 - -+1.000U+4 +2.000F- = UF2+2 - log_k +16.56 #03GUI/FAN - delta_h -3.500 #kJ/mol 92GRE/FUG -# Enthalpy of formation: -1265.400 kJ/mol - -analytic 15.94683E+0 00.00000E+0 18.28177E+1 00.00000E+0 00.00000E+0 - -+1.000U+4 +3.000F- = UF3+ - log_k +21.89 #03GUI/FAN - delta_h +0.500 #kJ/mol 92GRE/FUG -# Enthalpy of formation: -1596.750 kJ/mol - -analytic 21.97760E+0 00.00000E+0 -26.11682E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 +4.000F- = UF4 - log_k +26.34 #03GUI/FAN - delta_h -8.430 #kJ/mol -# Enthalpy of formation: -1941.028 kJ/mol - -analytic 24.86313E+0 00.00000E+0 44.03296E+1 00.00000E+0 00.00000E+0 - -+1.000U+4 +5.000F- = UF5- - log_k +27.73 #03GUI/FAN - delta_h -11.636 #kJ/mol -# Enthalpy of formation: -2279.584 kJ/mol - -analytic 25.69146E+0 00.00000E+0 60.77906E+1 00.00000E+0 00.00000E+0 - -+1.000U+4 +6.000F- = UF6-2 - log_k +29.80 #03GUI/FAN - -analytic 29.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000U+4 +1.000I- = UI+3 - log_k +1.25 #92GRE/FUG - -analytic 12.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000Acetate- = UO2(Acetate)+ - log_k +3.02 #11RIC/GRI - delta_h -15.894 #kJ/mol -# Enthalpy of formation: -1520.904 kJ/mol - -analytic 23.54907E-2 00.00000E+0 83.02014E+1 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +2.000Acetate- = UO2(Acetate)2 - log_k +5.20 #11RIC/GRI - delta_h -34.940 #kJ/mol -# Enthalpy of formation: -2025.960 kJ/mol - -analytic -92.12252E-2 00.00000E+0 18.25043E+2 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +3.000Acetate- = UO2(Acetate)3- - log_k +7.03 #11RIC/GRI - delta_h -65.460 #kJ/mol -# Enthalpy of formation: -2542.491 kJ/mol - -analytic -44.38100E-1 00.00000E+0 34.19214E+2 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000Cit-3 = UO2(Cit)- - log_k +8.96 #05HUM/AND - -analytic 89.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000CO3-2 = UO2(CO3) - log_k +9.94 #03GUI/FAN - delta_h +5.000 #kJ/mol 92GRE/FUG -# Enthalpy of formation: -1689.230 kJ/mol - -analytic 10.81596E+0 00.00000E+0 -26.11682E+1 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +2.000CO3-2 = UO2(CO3)2-2 - log_k +16.61 #03GUI/FAN - delta_h +18.500 #kJ/mol 92GRE/FUG -# Enthalpy of formation: -2350.960 kJ/mol - -analytic 19.85106E+0 00.00000E+0 -96.63223E+1 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +3.000CO3-2 = UO2(CO3)3-4 - log_k +21.84 #03GUI/FAN - delta_h -39.200 #kJ/mol 03GUI/FAN -# Enthalpy of formation: -3083.890 kJ/mol - -analytic 14.97245E+0 00.00000E+0 20.47559E+2 00.00000E+0 00.00000E+0 - -+1.000UO2+ +3.000CO3-2 = UO2(CO3)3-5 - log_k +6.95 #03GUI/FAN - -analytic 69.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000Edta-4 = UO2(Edta)-2 - log_k +13.70 #05HUM/AND - -analytic 13.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +2.000H+ +1.000AsO4-3 = UO2(H2AsO4)+ - log_k +21.96 #03GUI/FAN - -analytic 21.96000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +4.000H+ +2.000AsO4-3 = UO2(H2AsO4)2 - log_k +41.53 #03GUI/FAN - -analytic 41.53000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000H+ +2.000H2(PO4)- = UO2(H2PO4)(H3PO4)+ - log_k +5.93 #92GRE/FUG - -analytic 59.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000H2(PO4)- = UO2(H2PO4)+ - log_k +3.26 #92GRE/FUG - delta_h -15.340 #kJ/mol -# Enthalpy of formation: -2336.940 kJ/mol - -analytic 57.25474E-2 00.00000E+0 80.12640E+1 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +2.000H2(PO4)- = UO2(H2PO4)2 - log_k +4.92 #92GRE/FUG - delta_h -51.871 #kJ/mol -# Enthalpy of formation: -3676.070 kJ/mol - -analytic -41.67409E-1 00.00000E+0 27.09411E+2 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000H+ +1.000H2(PO4)- = UO2(H3PO4)+2 - log_k +2.90 #92GRE/FUG - -analytic 29.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000H+ +1.000AsO4-3 = UO2(HAsO4) - log_k +18.76 #03GUI/FAN - -analytic 18.76000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000H+ +1.000Cit-3 = UO2(HCit) - log_k +11.36 #05HUM/AND - -analytic 11.36000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000H+ +1.000Edta-4 = UO2(HEdta)- - log_k +19.61 #05HUM/AND - -analytic 19.61000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000HGlu- = UO2(HGlu)+ - log_k +2.59 #09ZHA/HEL - -analytic 25.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000HIsa- = UO2(HIsa)+ - log_k +3.70 #04RAO/GAR - -analytic 37.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +2.000HIsa- = UO2(HIsa)2 - log_k +6.60 #04RAO/GAR - -analytic 66.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +3.000HIsa- = UO2(HIsa)3- - log_k +8.50 #04RAO/GAR - -analytic 85.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000H+ +1.000Nta-3 = UO2(HNta) - log_k +14.50 #06DES/GIA - -analytic 14.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 -1.000H+ +1.000H2(PO4)- = UO2(HPO4) - log_k +0.03 #92GRE/FUG - delta_h +2.783 #kJ/mol -# Enthalpy of formation: -2318.816 kJ/mol - -analytic 51.75607E-2 00.00000E+0 -14.53662E+1 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +2.000H+ +2.000SeO3-2 = UO2(HSeO3)2 - log_k +22.23 #20GRE/GAO - -analytic 22.23000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 -12.000H+ -12.000e- +2.000I- +6.000H2O = UO2(IO3)2 - log_k -219.54 #92GRE/FUG - -analytic -21.95400E+1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000NO3- = UO2(NO3)+ - log_k -0.19 #20GRE/GAO - delta_h +20.900 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -1204.950 kJ/mol - -analytic 34.71523E-1 00.00000E+0 -10.91683E+2 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000Nta-3 = UO2(Nta)- - log_k +10.15 #06DES/GIA - -analytic 10.15000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 -1.000H+ +1.000HGlu- +1.000H2O = UO2(OH)(HGlu) - log_k +0.20 #09ZHA/HEL - -analytic 20.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 -1.000H+ +1.000Ox-2 +1.000H2O = UO2(OH)(Ox)- - log_k +0.63 #56GRI/PTI - -analytic 63.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 -1.000H+ +1.000H2O = UO2(OH)+ - log_k -5.25 #03GUI/FAN - delta_h +43.300 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -1261.530 kJ/mol - -analytic 23.35834E-1 00.00000E+0 -22.61717E+2 00.00000E+0 00.00000E+0 - -+1.000UO2+2 -2.000H+ +2.000H2O = UO2(OH)2 - log_k -12.15 #03GUI/FAN - delta_h +76.821 #kJ/mol -# Enthalpy of formation: -1513.839 kJ/mol - -analytic 13.08461E-1 00.00000E+0 -40.12640E+2 00.00000E+0 00.00000E+0 - -+1.000UO2+2 -3.000H+ +3.000H2O = UO2(OH)3- - log_k -20.25 #03GUI/FAN - delta_h +113.757 #kJ/mol -# Enthalpy of formation: -1762.732 kJ/mol - -analytic -32.06291E-2 00.00000E+0 -59.41942E+2 00.00000E+0 00.00000E+0 - -+1.000UO2+2 -3.000H+ +2.000HIsa- +3.000H2O = UO2(OH)3(HIsa)2-3 - log_k -14.50 #19KOB/SAS - -analytic -14.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 -4.000H+ +4.000H2O = UO2(OH)4-2 - log_k -32.40 #03GUI/FAN - delta_h +164.152 #kJ/mol -# Enthalpy of formation: -1998.167 kJ/mol - -analytic -36.41804E-1 00.00000E+0 -85.74256E+2 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000Ox-2 = UO2(Ox) - log_k +7.13 #05HUM/AND - delta_h +25.360 #kJ/mol + -analytic 12.78788E+0 00E+0 -11.20412E+2 00E+0 00E+0 + +Sr+2 + Cit-3 = Sr(Cit)- + log_k 4.24 #95AKR/BOU + -analytic 42.4E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 - H+ + 2 Cit-3 + H2O = Sr(Cit)2(OH)-5 + log_k -1.78 #95AKR/BOU + -analytic -17.8E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + 2 Cit-3 = Sr(Cit)2-4 + log_k 4.84 #95AKR/BOU + -analytic 48.4E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + CO3-2 = Sr(CO3) + log_k 2.81 #84BUS/PLU + delta_h 21.796 #kJ/mol +# Enthalpy of formation: -1204.335 kJ/mol + -analytic 66.28495E-1 00E+0 -11.38484E+2 00E+0 00E+0 + +Sr+2 + Edta-4 = Sr(Edta)-2 + log_k 10.3 #95AKR/BOU + -analytic 10.3E+0 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + 2 H+ + Cit-3 = Sr(H2Cit)+ + log_k 12.46 #95AKR/BOU + -analytic 12.46E+0 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + H2(PO4)- = Sr(H2PO4)+ + log_k 0.83 #97MAR/SMI; Uncertainty to include available data. + -analytic 83E-2 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + H+ + Cit-3 = Sr(HCit) + log_k 9 #95AKR/BOU + -analytic 90E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + H+ + CO3-2 = Sr(HCO3)+ + log_k 11.51 #84BUS/PLUS + delta_h 10.597 #kJ/mol +# Enthalpy of formation: -1215.533 kJ/mol + -analytic 13.36651E+0 00E+0 -55.35199E+1 00E+0 00E+0 + +Sr+2 + H+ + Edta-4 = Sr(HEdta)- + log_k 14.7 #95AKR/BOU + -analytic 14.7E+0 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + H+ + Ox-2 = Sr(HOx)+ + log_k 5.8 #95AKR/BOU + -analytic 58E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + 2 H+ + 2 Ox-2 = Sr(HOx)2 + log_k 10.8 #95AKR/BOU + -analytic 10.8E+0 00E+0 00E+0 00E+0 00E+0 + +Sr+2 - H+ + H2(PO4)- = Sr(HPO4) + log_k -4.7 #97MAR/SMI; Uncertainty to include available data. + -analytic -47E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + IO3- = Sr(IO3)+ + log_k 0.33 #estimation NEA87 01/02/95 + -analytic 33E-2 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + 2 IO3- = Sr(IO3)2 + log_k -0.55 #estimation NEA87 01/02/95 + -analytic -55E-2 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + NH3 = Sr(NH3)+2 + log_k -0.55 #estimation NEA87 08/02/95 + -analytic -55E-2 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + NO3- = Sr(NO3)+ + log_k 0.6 #96FAL/REA + -analytic 60E-2 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + 2 NO3- = Sr(NO3)2 + log_k 0.31 #96FAL/REA + -analytic 31E-2 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + Nta-3 = Sr(Nta)- + log_k 6.25 #95AKR/BOU + -analytic 62.5E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 - H+ + H2O = Sr(OH)+ + log_k -13.29 #76BAE/MES + delta_h 82.608 #kJ/mol +# Enthalpy of formation: -754.122 kJ/mol + -analytic 11.823E-1 00E+0 -43.14916E+2 00E+0 00E+0 + +Sr+2 + Ox-2 = Sr(Ox) + log_k 2.54 #95AKR/BOU + -analytic 25.4E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + 2 Ox-2 = Sr(Ox)2-2 + log_k 3 #95AKR/BOU + -analytic 30E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 - 2 H+ + H2(PO4)- = Sr(PO4)- + log_k -13.56 #96BOU1 + -analytic -13.56E+0 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + Pyrophos-4 = Sr(Pyrophos)-2 + log_k 5.4 #76SMI/MAR + -analytic 54E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + S2O3-2 = Sr(S2O3) + log_k 2.04 #76SMI/MAR + -analytic 20.4E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + SO4-2 = Sr(SO4) + log_k 2.3 #06BLA/IGN + delta_h 7.029 #kJ/mol 06BLA/IGN +# Enthalpy of formation: -1453.211 kJ/mol + -analytic 35.31428E-1 00E+0 -36.71502E+1 00E+0 00E+0 + +2 Sr+2 - H+ + Cit-3 + H2O = Sr2(Cit)(OH) + log_k 0.38 #95AKR/BOU + -analytic 38E-2 00E+0 00E+0 00E+0 00E+0 + +2 Sr+2 + UO2+2 + 3 CO3-2 = Sr2UO2(CO3)3 + log_k 29.7 #20GRE/GAO + -analytic 29.7E+0 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + B(OH)4- = SrB(OH)4+ + log_k 1.55 #80BAS + -analytic 15.5E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + Cl- = SrCl+ + log_k 0.23 #96BOU1 + delta_h 4.926 #kJ/mol +# Enthalpy of formation: -713.054 kJ/mol + -analytic 10.92998E-1 00E+0 -25.73029E+1 00E+0 00E+0 + +Sr+2 + F- = SrF+ + log_k 0.3 #96BOU + delta_h 16.74 #kJ/mol 96BOU +# Enthalpy of formation: -869.510 kJ/mol + -analytic 32.32722E-1 00E+0 -87.43911E+1 00E+0 00E+0 + +Sr+2 + 2 F- = SrF2 + log_k 2.02 #96FAL/REA + -analytic 20.2E-1 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + I- = SrI+ + log_k 0.14 #estimation NEA87 01/02/95 + -analytic 14E-2 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + 2 I- = SrI2 + log_k -0.04 #estimation NEA87 01/02/95 + -analytic -40E-3 00E+0 00E+0 00E+0 00E+0 + +Sr+2 + UO2+2 + 3 CO3-2 = SrUO2(CO3)3-2 + log_k 25.9 #20GRE/GAO + -analytic 25.9E+0 00E+0 00E+0 00E+0 00E+0 + +2 TcO(OH)2 + 2 H+ - 2 H2O = Tc2O2(OH)2+2 + log_k 12.99 #20GRE/GAO + -analytic 12.99E+0 00E+0 00E+0 00E+0 00E+0 + +TcO(OH)2 + 2 H+ + CO3-2 - H2O = TcCO3(OH)2 + log_k 19.25 #99RAR/RAN + -analytic 19.25E+0 00E+0 00E+0 00E+0 00E+0 + +TcO(OH)2 + H+ + CO3-2 = TcCO3(OH)3- + log_k 10.95 #99RAR/RAN + -analytic 10.95E+0 00E+0 00E+0 00E+0 00E+0 + +TcO(OH)2 + H+ - H2O + Acetate- = TcO(OH)(Acetate) + log_k 5.55 #11RIC/GRI + -analytic 55.5E-1 00E+0 00E+0 00E+0 00E+0 + +TcO(OH)2 + H+ + Nta-3 - H2O = TcO(OH)(Nta)-2 + log_k 13.3 #95AKR/BOU + -analytic 13.3E+0 00E+0 00E+0 00E+0 00E+0 + +TcO(OH)2 + H+ + 2 Nta-3 - H2O = TcO(OH)(Nta)2-5 + log_k 11.7 #95AKR/BOU + -analytic 11.7E+0 00E+0 00E+0 00E+0 00E+0 + +TcO(OH)2 + Cit-3 = TcO(OH)2Cit-3 + log_k 2.8 #13WAL/KAR + -analytic 28E-1 00E+0 00E+0 00E+0 00E+0 + +TcO(OH)2 - H+ + H2O = TcO(OH)3- + log_k -10.92 #20GRE/GAO + delta_h 39.03 #kJ/mol 97NGU/LAN +# Enthalpy of formation: -996.043 kJ/mol + -analytic -40.82238E-1 00E+0 -20.38679E+2 00E+0 00E+0 + +TcO(OH)2 + 2 H+ + Ox-2 - 2 H2O = TcO(Ox) + log_k 9.8 #06XIA/HES + -analytic 98E-1 00E+0 00E+0 00E+0 00E+0 + +TcO(OH)2 + 2 H+ + 2 Ox-2 - 2 H2O = TcO(Ox)2-2 + log_k 13.66 #06XIA/HES + -analytic 13.66E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + Acetate- = Th(Acetate)+3 + log_k 5.24 #11RIC/GRI + -analytic 52.4E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 2 Acetate- = Th(Acetate)2+2 + log_k 9.44 #11RIC/GRI + -analytic 94.4E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 3 Acetate- = Th(Acetate)3+ + log_k 12.56 #11RIC/GRI + -analytic 12.56E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 4 Acetate- = Th(Acetate)4 + log_k 14.38 #11RIC/GRI + -analytic 14.38E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 5 Acetate- = Th(Acetate)5- + log_k 15.37 #11RIC/GRI + -analytic 15.37E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + Cit-3 = Th(Cit)+ + log_k 14.13 #87RAY/DUF + -analytic 14.13E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 2 Cit-3 = Th(Cit)2-2 + log_k 24.29 #87RAY/DUF + -analytic 24.29E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 5 CO3-2 = Th(CO3)5-6 + log_k 31 #09RAN/FUG + -analytic 31E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + Edta-4 = Th(Edta) + log_k 26.95 #95AKR/BOU + -analytic 26.95E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + H2(PO4)- = Th(H2PO4)+3 + log_k 5.59 #09RAN/FUG + -analytic 55.9E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 2 H2(PO4)- = Th(H2PO4)2+2 + log_k 10.48 #09RAN/FUG + -analytic 10.48E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + H+ + 2 H2(PO4)- = Th(H3PO4)(H2PO4)+3 + log_k 9.7 #09RAN/FUG + -analytic 97E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + H+ + H2(PO4)- = Th(H3PO4)+4 + log_k 4.03 #09RAN/FUG + -analytic 40.3E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + H+ + Edta-4 = Th(HEdta)+ + log_k 28.7 #95AKR/BOU + -analytic 28.7E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + H+ + Ox-2 = Th(HOx)+3 + log_k 11 #95AKR/BOU + -analytic 11E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 2 H+ + 2 Ox-2 = Th(HOx)2+2 + log_k 18.13 #95AKR/BOU + -analytic 18.13E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 4 H+ + 4 Ox-2 = Th(HOx)4 + log_k 24.3 #95AKR/BOU + -analytic 24.3E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + Malonate-2 = Th(Malonate)+2 + log_k 9.32 #13GRI/CAM + -analytic 93.2E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 2 Malonate-2 = Th(Malonate)2 + log_k 16.07 #13GRI/CAM + -analytic 16.07E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 3 Malonate-2 = Th(Malonate)3-2 + log_k 19.63 #13GRI/CAM + -analytic 19.63E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + NO3- = Th(NO3)+3 + log_k 1.3 #09RAN/FUG + -analytic 13E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 2 NO3- = Th(NO3)2+2 + log_k 2.3 #09RAN/FUG + -analytic 23E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + Nta-3 = Th(Nta)+ + log_k 19.73 #16BON/AUP + -analytic 19.73E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 - H+ + 4 CO3-2 + H2O = Th(OH)(CO3)4-5 + log_k 21.6 #09RAN/FUG + -analytic 21.6E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 - H+ + Edta-4 + H2O = Th(OH)(Edta)- + log_k 19.5 #95AKR/BOU + -analytic 19.5E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 - H+ + H2O = Th(OH)+3 + log_k -2.5 #09RAN/FUG + delta_h 44.2 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -1010.330 kJ/mol + -analytic 52.43508E-1 00E+0 -23.08727E+2 00E+0 00E+0 + +Th+4 - 2 H+ + CO3-2 + 2 H2O = Th(OH)2(CO3) + log_k 2.5 #09RAN/FUG + -analytic 25E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 2 H+ + 2 CO3-2 + 2 H2O = Th(OH)2(CO3)2-2 + log_k 8.8 #09RAN/FUG + -analytic 88E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 2 H+ + 2 H2O = Th(OH)2+2 + log_k -6.2 #09RAN/FUG + delta_h 85.7 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -1254.660 kJ/mol + -analytic 88.13996E-1 00E+0 -44.76423E+2 00E+0 00E+0 + +Th+4 - 2 H+ + Edta-4 + 2 H2O = Th(OH)2Edta-2 + log_k 11.5 #03XIA/FEL + -analytic 11.5E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 3 H+ + CO3-2 + 3 H2O = Th(OH)3(CO3)- + log_k -3.7 #09RAN/FUG + -analytic -37E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 3 H+ + 2 HGlu- + 3 H2O = Th(OH)3(HGlu)2- + log_k -4.9 #Analogy with An(IV)-ISA + -analytic -49E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 3 H+ + 2 HIsa- + 3 H2O = Th(OH)3(HIsa)2- + log_k -4.9 #09RAI/YUI + -analytic -49E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 3 H+ + 3 H2O = Th(OH)3+ + log_k -11 #10GRI/RIB + delta_h 125.623 #kJ/mol +# Enthalpy of formation: -1500.566 kJ/mol + -analytic 11.0082E+0 00E+0 -65.61746E+2 00E+0 00E+0 + +Th+4 - 3 H+ + Edta-4 + 3 H2O = Th(OH)3Edta-3 + log_k -4 #03XIA/FEL + -analytic -40E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 4 H+ + 4 H2O = Th(OH)4 + log_k -17.4 #09RAN/FUG + delta_h 152.688 #kJ/mol +# Enthalpy of formation: -1759.331 kJ/mol + -analytic 93.49789E-1 00E+0 -79.7545E+2 00E+0 00E+0 + +Th+4 - 4 H+ + CO3-2 + 4 H2O = Th(OH)4(CO3)-2 + log_k -15.6 #09RAN/FUG + -analytic -15.6E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 4 H+ + HGlu- + 4 H2O = Th(OH)4(HGlu)- + log_k -14.7 #Analogy with An(IV)-ISA + -analytic -14.7E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 4 H+ + 2 HGlu- + 4 H2O = Th(OH)4(HGlu)2-2 + log_k -12.5 #Analogy with An(IV)-ISA + -analytic -12.5E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 4 H+ + HIsa- + 4 H2O = Th(OH)4(HIsa)- + log_k -14.7 #Reevaluated from 09RAI/YUI + -analytic -14.7E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 - 4 H+ + 2 HIsa- + 4 H2O = Th(OH)4(HIsa)2-2 + log_k -12.5 #Reevaluated from 09RAI/YUI + -analytic -12.5E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + Ox-2 = Th(Ox)+2 + log_k 9.7 #08SAS/TAK; 09KOB/SAS + -analytic 97E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 2 Ox-2 = Th(Ox)2 + log_k 16 #08SAS/TAK; 09KOB/SAS + -analytic 16E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 3 Ox-2 = Th(Ox)3-2 + log_k 22.2 #08SAS/TAK; 09KOB/SAS + -analytic 22.2E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + SO4-2 = Th(SO4)+2 + log_k 6.17 #09RAN/FUG + delta_h 20.92 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -1657.120 kJ/mol + -analytic 98.35027E-1 00E+0 -10.92728E+2 00E+0 00E+0 + +Th+4 + 2 SO4-2 = Th(SO4)2 + log_k 9.69 #09RAN/FUG + delta_h 40.38 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -2547.000 kJ/mol + -analytic 16.76427E+0 00E+0 -21.09194E+2 00E+0 00E+0 + +Th+4 + 3 SO4-2 = Th(SO4)3-2 + log_k 10.75 #09RAN/FUG + -analytic 10.75E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + Succinat-2 = Th(Succinat)+2 + log_k 8.49 #13GRI/CAM + -analytic 84.9E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 2 Succinat-2 = Th(Succinat)2 + log_k 12.92 #13GRI/CAM + -analytic 12.92E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 3 Succinat-2 = Th(Succinat)3-2 + log_k 16.62 #13GRI/CAM + -analytic 16.62E+0 00E+0 00E+0 00E+0 00E+0 + +2 Th+4 - 2 H+ + 2 H2O = Th2(OH)2+6 + log_k -5.9 #09RAN/FUG + delta_h 58.3 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -2050.760 kJ/mol + -analytic 43.13722E-1 00E+0 -30.45221E+2 00E+0 00E+0 + +2 Th+4 - 3 H+ + 3 H2O = Th2(OH)3+5 + log_k -6.8 #09RAN/FUG + -analytic -68E-1 00E+0 00E+0 00E+0 00E+0 + +4 Th+4 - 12 H+ + 12 H2O = Th4(OH)12+4 + log_k -26.6 #09RAN/FUG + -analytic -26.6E+0 00E+0 00E+0 00E+0 00E+0 + +4 Th+4 - 8 H+ + 8 H2O = Th4(OH)8+8 + log_k -20.4 #09RAN/FUG + delta_h 243 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -5118.440 kJ/mol + -analytic 22.17177E+0 00E+0 -12.69277E+3 00E+0 00E+0 + +6 Th+4 - 14 H+ + 14 H2O = Th6(OH)14+10 + log_k -36.8 #09RAN/FUG + -analytic -36.8E+0 00E+0 00E+0 00E+0 00E+0 + +6 Th+4 - 15 H+ + 15 H2O = Th6(OH)15+9 + log_k -36.8 #09RAN/FUG + delta_h 472.8 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -8426.850 kJ/mol + -analytic 46.031E+0 00E+0 -24.69606E+3 00E+0 00E+0 + +Th+4 + Cl- = ThCl+3 + log_k 1.7 #09RAN/FUG + -analytic 17E-1 00E+0 00E+0 00E+0 00E+0 + +Th+4 + F- = ThF+3 + log_k 8.87 #09RAN/FUG + delta_h -0.4 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -1104.450 kJ/mol + -analytic 87.99923E-1 00E+0 20.89346E+0 00E+0 00E+0 + +Th+4 + 2 F- = ThF2+2 + log_k 15.63 #09RAN/FUG + delta_h -3.3 #kJ/mol 09RAN/FUG +# Enthalpy of formation: -1442.700 kJ/mol + -analytic 15.05186E+0 00E+0 17.2371E+1 00E+0 00E+0 + +Th+4 + 3 F- = ThF3+ + log_k 20.67 #09RAN/FUG + -analytic 20.67E+0 00E+0 00E+0 00E+0 00E+0 + +Th+4 + 4 F- = ThF4 + log_k 25.58 #09RAN/FUG + -analytic 25.58E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 + Acetate- = U(Acetate)+3 + log_k 5.64 #12GRI/GAR2 + -analytic 56.4E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 + 2 Acetate- = U(Acetate)2+2 + log_k 9.81 #12GRI/GAR2 + -analytic 98.1E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 + 4 CO3-2 = U(CO3)4-4 + log_k 35.12 #03GUI/FAN + -analytic 35.12E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 + 5 CO3-2 = U(CO3)5-6 + log_k 34 #03GUI/FAN + delta_h -20 #kJ/mol 03GUI/FAN +# Enthalpy of formation: -3987.350 kJ/mol + -analytic 30.49615E+0 00E+0 10.44673E+2 00E+0 00E+0 + +U+4 + Edta-4 = U(Edta) + log_k 29.5 #05HUM/AND + -analytic 29.5E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 + NO3- = U(NO3)+3 + log_k 1.47 #92GRE/FUG + -analytic 14.7E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 + 2 NO3- = U(NO3)2+2 + log_k 2.3 #92GRE/FUG + -analytic 23E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 + Nta-3 = U(Nta)+ + log_k 20 #95AKR/BOU + -analytic 20E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 - H+ + Edta-4 + H2O = U(OH)(Edta)- + log_k 22.7 #23ROD/COL + -analytic 22.7E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 - H+ + H2O = U(OH)+3 + log_k -0.54 #20GRE/GAO + delta_h 46.91 #kJ/mol +# Enthalpy of formation: -830.119 kJ/mol + -analytic 76.78279E-1 00E+0 -24.5028E+2 00E+0 00E+0 + +U+4 - 2 H+ + 2 CO3-2 + 2 H2O = U(OH)2(CO3)2-2 + log_k 14.36 #98RAI/HES + -analytic 14.36E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 - 2 H+ + Edta-4 + 2 H2O = U(OH)2(Edta)-2 + log_k 16.68 #23ROD/COL + -analytic 16.68E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 - 2 H+ + 2 H2O = U(OH)2+2 + log_k -1.9 #20GRE/GAO + delta_h 59.014 #kJ/mol +# Enthalpy of formation: -1103.845 kJ/mol + -analytic 84.38809E-1 00E+0 -30.82516E+2 00E+0 00E+0 + +U+4 - 3 H+ + Edta-4 + 3 H2O = U(OH)3(Edta)-3 + log_k 7.06 #23ROD/COL + -analytic 70.6E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 - 3 H+ + 3 H2O = U(OH)3+ + log_k -5.2 #20GRE/GAO + delta_h 89.407 #kJ/mol +# Enthalpy of formation: -1359.281 kJ/mol + -analytic 10.46343E+0 00E+0 -46.70053E+2 00E+0 00E+0 + +U+4 - 4 H+ + 4 H2O = U(OH)4 + log_k -10 #03GUI/FAN + delta_h 109.87 #kJ/mol +# Enthalpy of formation: -1624.649 kJ/mol + -analytic 92.48398E-1 00E+0 -57.3891E+2 00E+0 00E+0 + +U+4 - 4 H+ + HGlu- + 4 H2O = U(OH)4(HGlu)- + log_k -7.6 #Analogy with An(IV)-ISA + -analytic -76E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 - 4 H+ + 2 HGlu- + 4 H2O = U(OH)4(HGlu)2-2 + log_k -5.4 #Analogy with An(IV)-ISA + -analytic -54E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 - 4 H+ + HIsa- + 4 H2O = U(OH)4(HIsa)- + log_k -7.6 #19KOB/SAS + -analytic -76E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 - 4 H+ + 2 HIsa- + 4 H2O = U(OH)4(HIsa)2-2 + log_k -5.4 #19KOB/SAS + -analytic -54E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 + 2 Ox-2 = U(Ox)2 + log_k 18.63 #12GRI/GAR2 + -analytic 18.63E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 + 3 Ox-2 = U(Ox)3-2 + log_k 24.19 #12GRI/GAR2 + -analytic 24.19E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 + SO4-2 = U(SO4)+2 + log_k 6.58 #92GRE/FUG + delta_h 8 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1492.540 kJ/mol + -analytic 79.8154E-1 00E+0 -41.78691E+1 00E+0 00E+0 + +U+4 + 2 SO4-2 = U(SO4)2 + log_k 10.51 #92GRE/FUG + delta_h 32.7 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -2377.180 kJ/mol + -analytic 16.23879E+0 00E+0 -17.0804E+2 00E+0 00E+0 + +U+4 + Br- = UBr+3 + log_k 1.46 #92GRE/FUG + -analytic 14.6E-1 00E+0 00E+0 00E+0 00E+0 + +U+4 + Cl- = UCl+3 + log_k 1.72 #92GRE/FUG + delta_h -19 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -777.280 kJ/mol + -analytic -16.08657E-1 00E+0 99.24391E+1 00E+0 00E+0 + +U+4 + F- = UF+3 + log_k 9.42 #03GUI/FAN + delta_h -5.6 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -932.150 kJ/mol + -analytic 84.38922E-1 00E+0 29.25084E+1 00E+0 00E+0 + +U+4 + 2 F- = UF2+2 + log_k 16.56 #03GUI/FAN + delta_h -3.5 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1265.400 kJ/mol + -analytic 15.94683E+0 00E+0 18.28177E+1 00E+0 00E+0 + +U+4 + 3 F- = UF3+ + log_k 21.89 #03GUI/FAN + delta_h 0.5 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1596.750 kJ/mol + -analytic 21.9776E+0 00E+0 -26.11682E+0 00E+0 00E+0 + +U+4 + 4 F- = UF4 + log_k 26.34 #03GUI/FAN + delta_h -8.43 #kJ/mol +# Enthalpy of formation: -1941.028 kJ/mol + -analytic 24.86313E+0 00E+0 44.03296E+1 00E+0 00E+0 + +U+4 + 5 F- = UF5- + log_k 27.73 #03GUI/FAN + delta_h -11.636 #kJ/mol +# Enthalpy of formation: -2279.584 kJ/mol + -analytic 25.69146E+0 00E+0 60.77906E+1 00E+0 00E+0 + +U+4 + 6 F- = UF6-2 + log_k 29.8 #03GUI/FAN + -analytic 29.8E+0 00E+0 00E+0 00E+0 00E+0 + +U+4 + I- = UI+3 + log_k 1.25 #92GRE/FUG + -analytic 12.5E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + Acetate- = UO2(Acetate)+ + log_k 3.02 #11RIC/GRI + delta_h -15.894 #kJ/mol +# Enthalpy of formation: -1520.904 kJ/mol + -analytic 23.54907E-2 00E+0 83.02014E+1 00E+0 00E+0 + +UO2+2 + 2 Acetate- = UO2(Acetate)2 + log_k 5.2 #11RIC/GRI + delta_h -34.94 #kJ/mol +# Enthalpy of formation: -2025.960 kJ/mol + -analytic -92.12252E-2 00E+0 18.25043E+2 00E+0 00E+0 + +UO2+2 + 3 Acetate- = UO2(Acetate)3- + log_k 7.03 #11RIC/GRI + delta_h -65.46 #kJ/mol +# Enthalpy of formation: -2542.491 kJ/mol + -analytic -44.381E-1 00E+0 34.19214E+2 00E+0 00E+0 + +UO2+2 + Cit-3 = UO2(Cit)- + log_k 8.96 #05HUM/AND + -analytic 89.6E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + CO3-2 = UO2(CO3) + log_k 9.94 #03GUI/FAN + delta_h 5 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1689.230 kJ/mol + -analytic 10.81596E+0 00E+0 -26.11682E+1 00E+0 00E+0 + +UO2+2 + 2 CO3-2 = UO2(CO3)2-2 + log_k 16.61 #03GUI/FAN + delta_h 18.5 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -2350.960 kJ/mol + -analytic 19.85106E+0 00E+0 -96.63223E+1 00E+0 00E+0 + +UO2+2 + 3 CO3-2 = UO2(CO3)3-4 + log_k 21.84 #03GUI/FAN + delta_h -39.2 #kJ/mol 03GUI/FAN +# Enthalpy of formation: -3083.890 kJ/mol + -analytic 14.97245E+0 00E+0 20.47559E+2 00E+0 00E+0 + +UO2+ + 3 CO3-2 = UO2(CO3)3-5 + log_k 6.95 #03GUI/FAN + -analytic 69.5E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + Edta-4 = UO2(Edta)-2 + log_k 13.7 #05HUM/AND + -analytic 13.7E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + 2 H+ + AsO4-3 = UO2(H2AsO4)+ + log_k 21.96 #03GUI/FAN + -analytic 21.96E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + 4 H+ + 2 AsO4-3 = UO2(H2AsO4)2 + log_k 41.53 #03GUI/FAN + -analytic 41.53E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + H+ + 2 H2(PO4)- = UO2(H2PO4)(H3PO4)+ + log_k 5.93 #92GRE/FUG + -analytic 59.3E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + H2(PO4)- = UO2(H2PO4)+ + log_k 3.26 #92GRE/FUG + delta_h -15.34 #kJ/mol +# Enthalpy of formation: -2336.940 kJ/mol + -analytic 57.25474E-2 00E+0 80.1264E+1 00E+0 00E+0 + +UO2+2 + 2 H2(PO4)- = UO2(H2PO4)2 + log_k 4.92 #92GRE/FUG + delta_h -51.871 #kJ/mol +# Enthalpy of formation: -3676.070 kJ/mol + -analytic -41.67409E-1 00E+0 27.09411E+2 00E+0 00E+0 + +UO2+2 + H+ + H2(PO4)- = UO2(H3PO4)+2 + log_k 2.9 #92GRE/FUG + -analytic 29E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + H+ + AsO4-3 = UO2(HAsO4) + log_k 18.76 #03GUI/FAN + -analytic 18.76E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + H+ + Cit-3 = UO2(HCit) + log_k 11.36 #05HUM/AND + -analytic 11.36E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + H+ + Edta-4 = UO2(HEdta)- + log_k 19.61 #05HUM/AND + -analytic 19.61E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + HGlu- = UO2(HGlu)+ + log_k 2.59 #09ZHA/HEL + -analytic 25.9E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + HIsa- = UO2(HIsa)+ + log_k 3.7 #04RAO/GAR + -analytic 37E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + 2 HIsa- = UO2(HIsa)2 + log_k 6.6 #04RAO/GAR + -analytic 66E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + 3 HIsa- = UO2(HIsa)3- + log_k 8.5 #04RAO/GAR + -analytic 85E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + H+ + Nta-3 = UO2(HNta) + log_k 14.5 #06DES/GIA + -analytic 14.5E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 - H+ + H2(PO4)- = UO2(HPO4) + log_k 0.03 #92GRE/FUG + delta_h 2.783 #kJ/mol +# Enthalpy of formation: -2318.816 kJ/mol + -analytic 51.75607E-2 00E+0 -14.53662E+1 00E+0 00E+0 + +UO2+2 + 2 H+ + 2 SeO3-2 = UO2(HSeO3)2 + log_k 22.23 #20GRE/GAO + -analytic 22.23E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 - 12 H+ - 12 e- + 2 I- + 6 H2O = UO2(IO3)2 + log_k -219.54 #92GRE/FUG + -analytic -21.954E+1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + NO3- = UO2(NO3)+ + log_k -0.19 #20GRE/GAO + delta_h 20.9 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1204.950 kJ/mol + -analytic 34.71523E-1 00E+0 -10.91683E+2 00E+0 00E+0 + +UO2+2 + Nta-3 = UO2(Nta)- + log_k 10.15 #06DES/GIA + -analytic 10.15E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 - H+ + HGlu- + H2O = UO2(OH)(HGlu) + log_k 0.2 #09ZHA/HEL + -analytic 20E-2 00E+0 00E+0 00E+0 00E+0 + +UO2+2 - H+ + Ox-2 + H2O = UO2(OH)(Ox)- + log_k 0.63 #56GRI/PTI + -analytic 63E-2 00E+0 00E+0 00E+0 00E+0 + +UO2+2 - H+ + H2O = UO2(OH)+ + log_k -5.25 #03GUI/FAN + delta_h 43.3 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1261.530 kJ/mol + -analytic 23.35834E-1 00E+0 -22.61717E+2 00E+0 00E+0 + +UO2+2 - 2 H+ + 2 H2O = UO2(OH)2 + log_k -12.15 #03GUI/FAN + delta_h 76.821 #kJ/mol +# Enthalpy of formation: -1513.839 kJ/mol + -analytic 13.08461E-1 00E+0 -40.1264E+2 00E+0 00E+0 + +UO2+2 - 3 H+ + 3 H2O = UO2(OH)3- + log_k -20.25 #03GUI/FAN + delta_h 113.757 #kJ/mol +# Enthalpy of formation: -1762.732 kJ/mol + -analytic -32.06291E-2 00E+0 -59.41942E+2 00E+0 00E+0 + +UO2+2 - 3 H+ + 2 HIsa- + 3 H2O = UO2(OH)3(HIsa)2-3 + log_k -14.5 #19KOB/SAS + -analytic -14.5E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 - 4 H+ + 4 H2O = UO2(OH)4-2 + log_k -32.4 #03GUI/FAN + delta_h 164.152 #kJ/mol +# Enthalpy of formation: -1998.167 kJ/mol + -analytic -36.41804E-1 00E+0 -85.74256E+2 00E+0 00E+0 + +UO2+2 + Ox-2 = UO2(Ox) + log_k 7.13 #05HUM/AND + delta_h 25.36 #kJ/mol # Enthalpy of formation: -1824.300 kJ/mol 05HUM/AND - -analytic 11.57288E+0 00.00000E+0 -13.24645E+2 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +2.000Ox-2 = UO2(Ox)2-2 - log_k +11.65 #05HUM/AND - -analytic 11.65000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +3.000Ox-2 = UO2(Ox)3-4 - log_k +13.80 #05HUM/AND - -analytic 13.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000Phthalat-2 = UO2(Phthalat) - log_k +5.56 #11GRI/COL2 - -analytic 55.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 -2.000H+ +1.000H2(PO4)- = UO2(PO4)- - log_k -8.55 #20GRE/GAO - -analytic -85.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000S2O3-2 = UO2(S2O3) - log_k +2.80 #92GRE/FUG - -analytic 28.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000SeO4-2 = UO2(SeO4) - log_k +2.93 #20GRE/GAO - delta_h +20.000 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -1602.500 kJ/mol - -analytic 64.33850E-1 00.00000E+0 -10.44673E+2 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +2.000SeO4-2 = UO2(SeO4)2-2 - log_k +4.03 #20GRE/GAO - delta_h +31.000 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -2195.000 kJ/mol - -analytic 94.60967E-1 00.00000E+0 -16.19243E+2 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000SO3-2 = UO2(SO3) - log_k +6.60 #92GRE/FUG - -analytic 66.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000SO4-2 = UO2(SO4) - log_k +3.15 #20GRE/GAO - delta_h +19.500 #kJ/mol 03GUI/FAN -# Enthalpy of formation: -1908.840 kJ/mol - -analytic 65.66253E-1 00.00000E+0 -10.18556E+2 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +2.000SO4-2 = UO2(SO4)2-2 - log_k +4.14 #20GRE/GAO - delta_h +35.100 #kJ/mol 03GUI/FAN -# Enthalpy of formation: -2802.580 kJ/mol - -analytic 10.28926E+0 00.00000E+0 -18.33401E+2 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +3.000SO4-2 = UO2(SO4)3-4 - log_k +3.02 #03GUI/FAN - -analytic 30.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000Succinat-2 = UO2(Succinat) - log_k +5.28 #13GRI/CAM - -analytic 52.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000Br- = UO2Br+ - log_k +0.22 #92GRE/FUG - -analytic 22.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000Cl- = UO2Cl+ - log_k +0.17 #92GRE/FUG - delta_h +8.000 #kJ/mol 92GRE/FUG -# Enthalpy of formation: -1178.080 kJ/mol - -analytic 15.71540E-1 00.00000E+0 -41.78691E+1 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +2.000Cl- = UO2Cl2 - log_k -1.10 #92GRE/FUG - delta_h +15.000 #kJ/mol 92GRE/FUG -# Enthalpy of formation: -1338.160 kJ/mol - -analytic 15.27887E-1 00.00000E+0 -78.35046E+1 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000CO3-2 +1.000F- = UO2CO3F- - log_k +13.70 #03GUI/FAN - -analytic 13.70000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000CO3-2 +2.000F- = UO2CO3F2-2 - log_k +15.57 #03GUI/FAN - -analytic 15.57000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000CO3-2 +3.000F- = UO2CO3F3-3 - log_k +16.38 #03GUI/FAN - -analytic 16.38000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000F- = UO2F+ - log_k +5.16 #03GUI/FAN - delta_h -0.540 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -1354.890 kJ/mol - -analytic 50.65396E-1 00.00000E+0 28.20616E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +2.000F- = UO2F2 - log_k +8.83 #03GUI/FAN - delta_h -1.340 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -1691.040 kJ/mol - -analytic 85.95242E-1 00.00000E+0 69.99307E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +3.000F- = UO2F3- - log_k +10.90 #03GUI/FAN - delta_h -1.180 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -2026.230 kJ/mol - -analytic 10.69327E+0 00.00000E+0 61.63569E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +4.000F- = UO2F4-2 - log_k +11.84 #03GUI/FAN - delta_h -2.120 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -2362.520 kJ/mol - -analytic 11.46859E+0 00.00000E+0 11.07353E+1 00.00000E+0 00.00000E+0 - -+1.000UO2+2 +1.000H+ +1.000SeO3-2 = UO2HSeO3+ - log_k +11.63 #20GRE/GAO - -analytic 11.63000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000UO2+2 -6.000H+ -6.000e- +1.000I- +3.000H2O = UO2IO3+ - log_k -109.56 #92GRE/FUG - delta_h +704.370 #kJ/mol 92GRE/FUG -# Enthalpy of formation: -1228.900 kJ/mol - -analytic 13.84033E+0 00.00000E+0 -36.79181E+3 00.00000E+0 00.00000E+0 - -+1.000UO2+2 -1.000H+ +1.000H4(SiO4) = UO2SiO(OH)3+ - log_k -1.88 #20GRE/GAO - delta_h +40.000 #kJ/mol 20GRE/GAO -# Enthalpy of formation: -2440.194 kJ/mol - -analytic 51.27699E-1 00.00000E+0 -20.89346E+2 00.00000E+0 00.00000E+0 - -+1.000U+4 +1.000Ox-2 = UOx+2 - log_k +10.67 #12GRI/GAR2 - -analytic 10.67000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000Zn+2 +1.000SeO4-2 = Zn(SeO4) - log_k +2.16 #05OLI/NOL - delta_h +4.600 #kJ/mol 05OLI/NOL -# Enthalpy of formation: -752.290 kJ/mol - -analytic 29.65885E-1 00.00000E+0 -24.02747E+1 00.00000E+0 00.00000E+0 - -+4.000CO3-2 +1.000Zr+4 = Zr(CO3)4-4 - log_k +42.90 #05BRO/CUR - -analytic 42.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000NO3- +1.000Zr+4 = Zr(NO3)2+2 - log_k +2.64 #05BRO/CUR - -analytic 26.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --1.000H+ +1.000Zr+4 +1.000H2O = Zr(OH)+3 - log_k +0.32 #05BRO/CUR - -analytic 32.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --2.000H+ +1.000Zr+4 +2.000H2O = Zr(OH)2+2 - log_k +0.98 #05BRO/CUR - -analytic 98.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --4.000H+ +1.000Zr+4 +4.000H2O = Zr(OH)4 - log_k -2.19 #05BRO/CUR - -analytic -21.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - --6.000H+ +1.000Zr+4 +6.000H2O = Zr(OH)6-2 - log_k -29.00 #05BRO/CUR - -analytic -29.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000SO4-2 +1.000Zr+4 = Zr(SO4)2 - log_k +11.54 #05BRO/CUR - delta_h +67.380 #kJ/mol + -analytic 11.57288E+0 00E+0 -13.24645E+2 00E+0 00E+0 + +UO2+2 + 2 Ox-2 = UO2(Ox)2-2 + log_k 11.65 #05HUM/AND + -analytic 11.65E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + 3 Ox-2 = UO2(Ox)3-4 + log_k 13.8 #05HUM/AND + -analytic 13.8E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + Phthalat-2 = UO2(Phthalat) + log_k 5.56 #11GRI/COL2 + -analytic 55.6E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 - 2 H+ + H2(PO4)- = UO2(PO4)- + log_k -8.55 #20GRE/GAO + -analytic -85.5E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + S2O3-2 = UO2(S2O3) + log_k 2.8 #92GRE/FUG + -analytic 28E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + SeO4-2 = UO2(SeO4) + log_k 2.93 #20GRE/GAO + delta_h 20 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1602.500 kJ/mol + -analytic 64.3385E-1 00E+0 -10.44673E+2 00E+0 00E+0 + +UO2+2 + 2 SeO4-2 = UO2(SeO4)2-2 + log_k 4.03 #20GRE/GAO + delta_h 31 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2195.000 kJ/mol + -analytic 94.60967E-1 00E+0 -16.19243E+2 00E+0 00E+0 + +UO2+2 + SO3-2 = UO2(SO3) + log_k 6.6 #92GRE/FUG + -analytic 66E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + SO4-2 = UO2(SO4) + log_k 3.15 #20GRE/GAO + delta_h 19.5 #kJ/mol 03GUI/FAN +# Enthalpy of formation: -1908.840 kJ/mol + -analytic 65.66253E-1 00E+0 -10.18556E+2 00E+0 00E+0 + +UO2+2 + 2 SO4-2 = UO2(SO4)2-2 + log_k 4.14 #20GRE/GAO + delta_h 35.1 #kJ/mol 03GUI/FAN +# Enthalpy of formation: -2802.580 kJ/mol + -analytic 10.28926E+0 00E+0 -18.33401E+2 00E+0 00E+0 + +UO2+2 + 3 SO4-2 = UO2(SO4)3-4 + log_k 3.02 #03GUI/FAN + -analytic 30.2E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + Succinat-2 = UO2(Succinat) + log_k 5.28 #13GRI/CAM + -analytic 52.8E-1 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + Br- = UO2Br+ + log_k 0.22 #92GRE/FUG + -analytic 22E-2 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + Cl- = UO2Cl+ + log_k 0.17 #92GRE/FUG + delta_h 8 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1178.080 kJ/mol + -analytic 15.7154E-1 00E+0 -41.78691E+1 00E+0 00E+0 + +UO2+2 + 2 Cl- = UO2Cl2 + log_k -1.1 #92GRE/FUG + delta_h 15 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1338.160 kJ/mol + -analytic 15.27887E-1 00E+0 -78.35046E+1 00E+0 00E+0 + +UO2+2 + CO3-2 + F- = UO2CO3F- + log_k 13.7 #03GUI/FAN + -analytic 13.7E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + CO3-2 + 2 F- = UO2CO3F2-2 + log_k 15.57 #03GUI/FAN + -analytic 15.57E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + CO3-2 + 3 F- = UO2CO3F3-3 + log_k 16.38 #03GUI/FAN + -analytic 16.38E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 + F- = UO2F+ + log_k 5.16 #03GUI/FAN + delta_h -0.54 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1354.890 kJ/mol + -analytic 50.65396E-1 00E+0 28.20616E+0 00E+0 00E+0 + +UO2+2 + 2 F- = UO2F2 + log_k 8.83 #03GUI/FAN + delta_h -1.34 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -1691.040 kJ/mol + -analytic 85.95242E-1 00E+0 69.99307E+0 00E+0 00E+0 + +UO2+2 + 3 F- = UO2F3- + log_k 10.9 #03GUI/FAN + delta_h -1.18 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2026.230 kJ/mol + -analytic 10.69327E+0 00E+0 61.63569E+0 00E+0 00E+0 + +UO2+2 + 4 F- = UO2F4-2 + log_k 11.84 #03GUI/FAN + delta_h -2.12 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2362.520 kJ/mol + -analytic 11.46859E+0 00E+0 11.07353E+1 00E+0 00E+0 + +UO2+2 + H+ + SeO3-2 = UO2HSeO3+ + log_k 11.63 #20GRE/GAO + -analytic 11.63E+0 00E+0 00E+0 00E+0 00E+0 + +UO2+2 - 6 H+ - 6 e- + I- + 3 H2O = UO2IO3+ + log_k -109.56 #92GRE/FUG + delta_h 704.37 #kJ/mol 92GRE/FUG +# Enthalpy of formation: -1228.900 kJ/mol + -analytic 13.84033E+0 00E+0 -36.79181E+3 00E+0 00E+0 + +UO2+2 - H+ + H4(SiO4) = UO2SiO(OH)3+ + log_k -1.88 #20GRE/GAO + delta_h 40 #kJ/mol 20GRE/GAO +# Enthalpy of formation: -2440.194 kJ/mol + -analytic 51.27699E-1 00E+0 -20.89346E+2 00E+0 00E+0 + +U+4 + Ox-2 = UOx+2 + log_k 10.67 #12GRI/GAR2 + -analytic 10.67E+0 00E+0 00E+0 00E+0 00E+0 + +Zn+2 + SeO4-2 = Zn(SeO4) + log_k 2.16 #05OLI/NOL + delta_h 4.6 #kJ/mol 05OLI/NOL +# Enthalpy of formation: -752.290 kJ/mol + -analytic 29.65885E-1 00E+0 -24.02747E+1 00E+0 00E+0 + +4 CO3-2 + Zr+4 = Zr(CO3)4-4 + log_k 42.9 #05BRO/CUR + -analytic 42.9E+0 00E+0 00E+0 00E+0 00E+0 + +2 NO3- + Zr+4 = Zr(NO3)2+2 + log_k 2.64 #05BRO/CUR + -analytic 26.4E-1 00E+0 00E+0 00E+0 00E+0 + +- H+ + Zr+4 + H2O = Zr(OH)+3 + log_k 0.32 #05BRO/CUR + -analytic 32E-2 00E+0 00E+0 00E+0 00E+0 + +- 2 H+ + Zr+4 + 2 H2O = Zr(OH)2+2 + log_k 0.98 #05BRO/CUR + -analytic 98E-2 00E+0 00E+0 00E+0 00E+0 + +- 4 H+ + Zr+4 + 4 H2O = Zr(OH)4 + log_k -2.19 #05BRO/CUR + -analytic -21.9E-1 00E+0 00E+0 00E+0 00E+0 + +- 6 H+ + Zr+4 + 6 H2O = Zr(OH)6-2 + log_k -29 #05BRO/CUR + -analytic -29E+0 00E+0 00E+0 00E+0 00E+0 + +2 SO4-2 + Zr+4 = Zr(SO4)2 + log_k 11.54 #05BRO/CUR + delta_h 67.38 #kJ/mol # Enthalpy of formation: -2359.800 kJ/mol 05BRO/CUR - -analytic 23.34447E+0 00.00000E+0 -35.19503E+2 00.00000E+0 00.00000E+0 + -analytic 23.34447E+0 00E+0 -35.19503E+2 00E+0 00E+0 -+3.000SO4-2 +1.000Zr+4 = Zr(SO4)3-2 - log_k +14.30 #05BRO/CUR - -analytic 14.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +3 SO4-2 + Zr+4 = Zr(SO4)3-2 + log_k 14.3 #05BRO/CUR + -analytic 14.3E+0 00E+0 00E+0 00E+0 00E+0 --4.000H+ +3.000Zr+4 +4.000H2O = Zr3(OH)4+8 - log_k +0.40 #05BRO/CUR - delta_h -1.980 #kJ/mol +- 4 H+ + 3 Zr+4 + 4 H2O = Zr3(OH)4+8 + log_k 0.4 #05BRO/CUR + delta_h -1.98 #kJ/mol # Enthalpy of formation: -2970.800 kJ/mol 05BRO/CUR - -analytic 53.11889E-3 00.00000E+0 10.34226E+1 00.00000E+0 00.00000E+0 + -analytic 53.11889E-3 00E+0 10.34226E+1 00E+0 00E+0 --15.000H+ +4.000Zr+4 +15.000H2O = Zr4(OH)15+ - log_k +12.58 #05BRO/CUR - -analytic 12.58000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +- 15 H+ + 4 Zr+4 + 15 H2O = Zr4(OH)15+ + log_k 12.58 #05BRO/CUR + -analytic 12.58E+0 00E+0 00E+0 00E+0 00E+0 --16.000H+ +4.000Zr+4 +16.000H2O = Zr4(OH)16 - log_k +8.39 #05BRO/CUR - delta_h +301.120 #kJ/mol +- 16 H+ + 4 Zr+4 + 16 H2O = Zr4(OH)16 + log_k 8.39 #05BRO/CUR + delta_h 301.12 #kJ/mol # Enthalpy of formation: -6706.160 kJ/mol 05BRO/CUR - -analytic 61.14396E+0 00.00000E+0 -15.72859E+3 00.00000E+0 00.00000E+0 - -+1.000Cl- +1.000Zr+4 = ZrCl+3 - log_k +1.59 #05BRO/CUR - -analytic 15.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+2.000Cl- +1.000Zr+4 = ZrCl2+2 - log_k +2.17 #05BRO/CUR - -analytic 21.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000F- +1.000Zr+4 = ZrF+3 - log_k +10.12 #05BRO/CUR - delta_h -17.500 #kJ/mol 05BRO/CUR -# Enthalpy of formation: -961.350 kJ/mol - -analytic 70.54132E-1 00.00000E+0 91.40887E+1 00.00000E+0 00.00000E+0 - -+2.000F- +1.000Zr+4 = ZrF2+2 - log_k +18.55 #05BRO/CUR - delta_h -16.800 #kJ/mol 05BRO/CUR -# Enthalpy of formation: -1296.000 kJ/mol - -analytic 15.60677E+0 00.00000E+0 87.75251E+1 00.00000E+0 00.00000E+0 - -+3.000F- +1.000Zr+4 = ZrF3+ - log_k +24.72 #05BRO/CUR - delta_h -11.200 #kJ/mol 05BRO/CUR -# Enthalpy of formation: -1625.750 kJ/mol - -analytic 22.75784E+0 00.00000E+0 58.50167E+1 00.00000E+0 00.00000E+0 - -+4.000F- +1.000Zr+4 = ZrF4 - log_k +30.11 #05BRO/CUR - delta_h -22.000 #kJ/mol 05BRO/CUR -# Enthalpy of formation: -1971.900 kJ/mol - -analytic 26.25577E+0 00.00000E+0 11.49140E+2 00.00000E+0 00.00000E+0 - -+5.000F- +1.000Zr+4 = ZrF5- - log_k +34.60 #05BRO/CUR - -analytic 34.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+6.000F- +1.000Zr+4 = ZrF6-2 - log_k +38.11 #05BRO/CUR - -analytic 38.11000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000NO3- +1.000Zr+4 = ZrNO3+3 - log_k +1.59 #05BRO/CUR - -analytic 15.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -+1.000SO4-2 +1.000Zr+4 = ZrSO4+2 - log_k +7.04 #05BRO/CUR - delta_h +36.940 #kJ/mol + -analytic 61.14396E+0 00E+0 -15.72859E+3 00E+0 00E+0 + +Cl- + Zr+4 = ZrCl+3 + log_k 1.59 #05BRO/CUR + -analytic 15.9E-1 00E+0 00E+0 00E+0 00E+0 + +2 Cl- + Zr+4 = ZrCl2+2 + log_k 2.17 #05BRO/CUR + -analytic 21.7E-1 00E+0 00E+0 00E+0 00E+0 + +F- + Zr+4 = ZrF+3 + log_k 10.12 #05BRO/CUR + delta_h -17.5 #kJ/mol 05BRO/CUR +# Enthalpy of formation: -961.350 kJ/mol + -analytic 70.54132E-1 00E+0 91.40887E+1 00E+0 00E+0 + +2 F- + Zr+4 = ZrF2+2 + log_k 18.55 #05BRO/CUR + delta_h -16.8 #kJ/mol 05BRO/CUR +# Enthalpy of formation: -1296.000 kJ/mol + -analytic 15.60677E+0 00E+0 87.75251E+1 00E+0 00E+0 + +3 F- + Zr+4 = ZrF3+ + log_k 24.72 #05BRO/CUR + delta_h -11.2 #kJ/mol 05BRO/CUR +# Enthalpy of formation: -1625.750 kJ/mol + -analytic 22.75784E+0 00E+0 58.50167E+1 00E+0 00E+0 + +4 F- + Zr+4 = ZrF4 + log_k 30.11 #05BRO/CUR + delta_h -22 #kJ/mol 05BRO/CUR +# Enthalpy of formation: -1971.900 kJ/mol + -analytic 26.25577E+0 00E+0 11.4914E+2 00E+0 00E+0 + +5 F- + Zr+4 = ZrF5- + log_k 34.6 #05BRO/CUR + -analytic 34.6E+0 00E+0 00E+0 00E+0 00E+0 + +6 F- + Zr+4 = ZrF6-2 + log_k 38.11 #05BRO/CUR + -analytic 38.11E+0 00E+0 00E+0 00E+0 00E+0 + +NO3- + Zr+4 = ZrNO3+3 + log_k 1.59 #05BRO/CUR + -analytic 15.9E-1 00E+0 00E+0 00E+0 00E+0 + +SO4-2 + Zr+4 = ZrSO4+2 + log_k 7.04 #05BRO/CUR + delta_h 36.94 #kJ/mol # Enthalpy of formation: -1480.900 kJ/mol 05BRO/CUR - -analytic 13.51161E+0 00.00000E+0 -19.29511E+2 00.00000E+0 00.00000E+0 + -analytic 13.51161E+0 00E+0 -19.29511E+2 00E+0 00E+0 PHASES (HgOH)3PO4(s) -(HgOH)3PO4 = -5.000H+ +1.000H2(PO4)- +3.000H2O +3.000Hg+2 - log_k -3.80 #05POW/BRO - -analytic -38.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +(HgOH)3PO4 = -5 H+ + H2(PO4)- + 3 H2O + 3 Hg+2 + log_k -3.8 #05POW/BRO + -analytic -38E-1 00E+0 00E+0 00E+0 00E+0 (NH4)4NpO2(CO3)3(cr) -(NH4)4NpO2(CO3)3 = +1.000NpO2+2 +4.000H+ +3.000CO3-2 +4.000NH3 - log_k -64.30 #20GRE/GAO - -analytic -64.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +(NH4)4NpO2(CO3)3 = NpO2+2 + 4 H+ + 3 CO3-2 + 4 NH3 + log_k -64.3 #20GRE/GAO + -analytic -64.3E+0 00E+0 00E+0 00E+0 00E+0 (PuO2)3(PO4)2:4H2O(am) -(PuO2)3(PO4)2:4H2O = +3.000PuO2+2 -4.000H+ +2.000H2(PO4)- +4.000H2O - log_k -9.85 #20GRE/GAO - -analytic -98.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +(PuO2)3(PO4)2:4H2O = 3 PuO2+2 - 4 H+ + 2 H2(PO4)- + 4 H2O + log_k -9.85 #20GRE/GAO + -analytic -98.5E-1 00E+0 00E+0 00E+0 00E+0 (UO2)2(As2O7)(cr) -(UO2)2(As2O7) = +2.000UO2+2 +2.000H+ +2.000AsO4-3 -1.000H2O - log_k -29.01 - delta_h -102.450 #kJ/mol +(UO2)2(As2O7) = 2 UO2+2 + 2 H+ + 2 AsO4-3 - H2O + log_k -29.01 + delta_h -102.45 #kJ/mol # Enthalpy of formation: -3426.000 kJ/mol 92GRE/FUG - -analytic -46.95847E+0 00.00000E+0 53.51336E+2 00.00000E+0 00.00000E+0 + -analytic -46.95847E+0 00E+0 53.51336E+2 00E+0 00E+0 (UO2)3(AsO4)2(cr) -(UO2)3(AsO4)2 = +3.000UO2+2 +2.000AsO4-3 - log_k -27.40 - delta_h -143.880 #kJ/mol +(UO2)3(AsO4)2 = 3 UO2+2 + 2 AsO4-3 + log_k -27.4 + delta_h -143.88 #kJ/mol # Enthalpy of formation: -4689.400 kJ/mol 92GRE/FUG - -analytic -52.60669E+0 00.00000E+0 75.15376E+2 00.00000E+0 00.00000E+0 + -analytic -52.60669E+0 00E+0 75.15376E+2 00E+0 00E+0 (UO2)3(PO4)2(cr) -(UO2)3(PO4)2 = +3.000UO2+2 -4.000H+ +2.000H2(PO4)- - log_k +2.80 - delta_h -170.900 #kJ/mol +(UO2)3(PO4)2 = 3 UO2+2 - 4 H+ + 2 H2(PO4)- + log_k 2.8 + delta_h -170.9 #kJ/mol # Enthalpy of formation: -5491.300 kJ/mol 92GRE/FUG - -analytic -27.14039E+0 00.00000E+0 89.26729E+2 00.00000E+0 00.00000E+0 + -analytic -27.14039E+0 00E+0 89.26729E+2 00E+0 00E+0 (UO2)3(PO4)2:4H2O(cr) -(UO2)3(PO4)2:4H2O = +3.000UO2+2 -4.000H+ +2.000H2(PO4)- +4.000H2O - log_k -10.24 #20GRE/GAO - -analytic -10.24000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +(UO2)3(PO4)2:4H2O = 3 UO2+2 - 4 H+ + 2 H2(PO4)- + 4 H2O + log_k -10.24 #20GRE/GAO + -analytic -10.24E+0 00E+0 00E+0 00E+0 00E+0 (UO2)3(PO4)2:6H2O(s) -(UO2)3(PO4)2:6H2O = +3.000UO2+2 -4.000H+ +2.000H2(PO4)- +6.000H2O - log_k -10.20 - delta_h -48.780 #kJ/mol +(UO2)3(PO4)2:6H2O = 3 UO2+2 - 4 H+ + 2 H2(PO4)- + 6 H2O + log_k -10.2 + delta_h -48.78 #kJ/mol # Enthalpy of formation: -7328.400 kJ/mol 03GUI/FAN - -analytic -18.74589E+0 00.00000E+0 25.47957E+2 00.00000E+0 00.00000E+0 + -analytic -18.74589E+0 00E+0 25.47957E+2 00E+0 00E+0 Acanthite -Ag2S = +2.000Ag+ -1.000H+ +1.000HS- - log_k -36.07 - delta_h +224.768 #kJ/mol -# Enthalpy of formation: -29.488 kJ/mol - -analytic 33.07663E-1 00.00000E+0 -11.74045E+3 00.00000E+0 00.00000E+0 +Ag2S = 2 Ag+ - H+ + HS- + log_k -36.07 + delta_h 224.768 #kJ/mol +# Enthalpy of formation: -29.488 kJ/mol + -analytic 33.07663E-1 00E+0 -11.74045E+3 00E+0 00E+0 Acmite -NaFeSi2O6 = +1.000Na+ +1.000Fe+3 -4.000H+ +2.000H4(SiO4) -2.000H2O - log_k +0.89 - delta_h -56.624 #kJ/mol +NaFeSi2O6 = Na+ + Fe+3 - 4 H+ + 2 H4(SiO4) - 2 H2O + log_k 0.89 + delta_h -56.624 #kJ/mol # Enthalpy of formation: -2584.500 kJ/mol 95ROB/HEM - -analytic -90.30099E-1 00.00000E+0 29.57678E+2 00.00000E+0 00.00000E+0 - -Vm 64.600 + -analytic -90.30099E-1 00E+0 29.57678E+2 00E+0 00E+0 + -Vm 64.6 Afwillite -Ca3Si2O4(OH)6 = +3.000Ca+2 -6.000H+ +2.000H4(SiO4) +2.000H2O - log_k +49.42 #10BLA/BOU1 - delta_h -269.228 #kJ/mol +Ca3Si2O4(OH)6 = 3 Ca+2 - 6 H+ + 2 H4(SiO4) + 2 H2O + log_k 49.42 #10BLA/BOU1 + delta_h -269.228 #kJ/mol # Enthalpy of formation: -4853.820 kJ/mol 10BLA/BOU1 - -analytic 22.53279E-1 00.00000E+0 14.06276E+3 00.00000E+0 00.00000E+0 - -Vm 129.530 + -analytic 22.53279E-1 00E+0 14.06276E+3 00E+0 00E+0 + -Vm 129.53 Ag(cr) -Ag = +1.000Ag+ +1.000e- - log_k -13.51 - delta_h +105.790 #kJ/mol +Ag = Ag+ + e- + log_k -13.51 + delta_h 105.79 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 95SIL/BID - -analytic 50.23612E-1 00.00000E+0 -55.25797E+2 00.00000E+0 00.00000E+0 + -analytic 50.23612E-1 00E+0 -55.25797E+2 00E+0 00E+0 Ag(OH)(s) -Ag(OH) = +1.000Ag+ -1.000H+ +1.000H2O - log_k +6.30 #76BAE/MES - -analytic 63.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ag(OH) = Ag+ - H+ + H2O + log_k 6.3 #76BAE/MES + -analytic 63E-1 00E+0 00E+0 00E+0 00E+0 Ag2(CO3)(s) -Ag2(CO3) = +2.000Ag+ +1.000CO3-2 - log_k -11.05 - delta_h +42.072 #kJ/mol -# Enthalpy of formation: -505.723 kJ/mol - -analytic -36.79302E-1 00.00000E+0 -21.97574E+2 00.00000E+0 00.00000E+0 +Ag2(CO3) = 2 Ag+ + CO3-2 + log_k -11.05 + delta_h 42.072 #kJ/mol +# Enthalpy of formation: -505.723 kJ/mol + -analytic -36.79302E-1 00E+0 -21.97574E+2 00E+0 00E+0 Ag2(MoO4)(s) -Ag2(MoO4) = +2.000Ag+ +1.000MoO4-2 - log_k -11.46 - delta_h +55.324 #kJ/mol -# Enthalpy of formation: -840.744 kJ/mol - -analytic -17.67651E-1 00.00000E+0 -28.89774E+2 00.00000E+0 00.00000E+0 +Ag2(MoO4) = 2 Ag+ + MoO4-2 + log_k -11.46 + delta_h 55.324 #kJ/mol +# Enthalpy of formation: -840.744 kJ/mol + -analytic -17.67651E-1 00E+0 -28.89774E+2 00E+0 00E+0 Ag2(SeO3)(s) -Ag2(SeO3) = +2.000Ag+ +1.000SeO3-2 - log_k -15.80 #05OLI/NOL - delta_h +67.860 #kJ/mol +Ag2(SeO3) = 2 Ag+ + SeO3-2 + log_k -15.8 #05OLI/NOL + delta_h 67.86 #kJ/mol # Enthalpy of formation: -363.440 kJ/mol 05OLI/NOL - -analytic -39.11438E-1 00.00000E+0 -35.44575E+2 00.00000E+0 00.00000E+0 + -analytic -39.11438E-1 00E+0 -35.44575E+2 00E+0 00E+0 Ag2(SeO4)(s) -Ag2(SeO4) = +2.000Ag+ +1.000SeO4-2 - log_k -7.86 #05OLI/NOL - delta_h +30.590 #kJ/mol +Ag2(SeO4) = 2 Ag+ + SeO4-2 + log_k -7.86 #05OLI/NOL + delta_h 30.59 #kJ/mol # Enthalpy of formation: -422.510 kJ/mol 05OLI/NOL - -analytic -25.00862E-1 00.00000E+0 -15.97827E+2 00.00000E+0 00.00000E+0 + -analytic -25.00862E-1 00E+0 -15.97827E+2 00E+0 00E+0 Ag2(SO4)(s) -Ag2(SO4) = +2.000Ag+ +1.000SO4-2 - log_k -5.01 - delta_h +18.163 #kJ/mol -# Enthalpy of formation: -715.922 kJ/mol - -analytic -18.27979E-1 00.00000E+0 -94.87196E+1 00.00000E+0 00.00000E+0 +Ag2(SO4) = 2 Ag+ + SO4-2 + log_k -5.01 + delta_h 18.163 #kJ/mol +# Enthalpy of formation: -715.922 kJ/mol + -analytic -18.27979E-1 00E+0 -94.87196E+1 00E+0 00E+0 Ag2Se(alfa) -Ag2Se = +2.000Ag+ -1.000H+ +1.000HSe- - log_k -42.85 - delta_h +266.009 #kJ/mol -# Enthalpy of formation: -40.129 kJ/mol - -analytic 37.52776E-1 00.00000E+0 -13.89462E+3 00.00000E+0 00.00000E+0 +Ag2Se = 2 Ag+ - H+ + HSe- + log_k -42.85 + delta_h 266.009 #kJ/mol +# Enthalpy of formation: -40.129 kJ/mol + -analytic 37.52776E-1 00E+0 -13.89462E+3 00E+0 00E+0 Ag3(PO4)(s) -Ag3(PO4) = +3.000Ag+ -2.000H+ +1.000H2(PO4)- - log_k +2.01 #03BÖT in 76SMI/MAR - -analytic 20.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ag3(PO4) = 3 Ag+ - 2 H+ + H2(PO4)- + log_k 2.01 #03BÖT in 76SMI/MAR + -analytic 20.1E-1 00E+0 00E+0 00E+0 00E+0 AgBr(s) -AgBr = +1.000Ag+ +1.000Br- - log_k -12.29 - delta_h +84.726 #kJ/mol -# Enthalpy of formation: -100.345 kJ/mol - -analytic 25.53358E-1 00.00000E+0 -44.25547E+2 00.00000E+0 00.00000E+0 +AgBr = Ag+ + Br- + log_k -12.29 + delta_h 84.726 #kJ/mol +# Enthalpy of formation: -100.345 kJ/mol + -analytic 25.53358E-1 00E+0 -44.25547E+2 00E+0 00E+0 AgCl(cr) -AgCl = +1.000Ag+ +1.000Cl- - log_k -9.75 - delta_h +65.720 #kJ/mol +AgCl = Ag+ + Cl- + log_k -9.75 + delta_h 65.72 #kJ/mol # Enthalpy of formation: -127.010 kJ/mol 92GRE/FUG - -analytic 17.63650E-1 00.00000E+0 -34.32795E+2 00.00000E+0 00.00000E+0 + -analytic 17.6365E-1 00E+0 -34.32795E+2 00E+0 00E+0 AgI(s) -AgI = +1.000Ag+ +1.000I- - log_k -16.04 - delta_h +110.764 #kJ/mol -# Enthalpy of formation: -61.754 kJ/mol - -analytic 33.65020E-1 00.00000E+0 -57.85607E+2 00.00000E+0 00.00000E+0 +AgI = Ag+ + I- + log_k -16.04 + delta_h 110.764 #kJ/mol +# Enthalpy of formation: -61.754 kJ/mol + -analytic 33.6502E-1 00E+0 -57.85607E+2 00E+0 00E+0 Al(cr) -Al = +1.000Al+3 +3.000e- - log_k +85.43 - delta_h -538.400 #kJ/mol +Al = Al+3 + 3 e- + log_k 85.43 + delta_h -538.4 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 95POK/HEL - -analytic -88.93631E-1 00.00000E+0 28.12259E+3 00.00000E+0 00.00000E+0 + -analytic -88.93631E-1 00E+0 28.12259E+3 00E+0 00E+0 Al(PO4)(cr) -Al(PO4) = +1.000Al+3 -2.000H+ +1.000H2(PO4)- - log_k -3.62 - delta_h -18.200 #kJ/mol +Al(PO4) = Al+3 - 2 H+ + H2(PO4)- + log_k -3.62 + delta_h -18.2 #kJ/mol # Enthalpy of formation: -1822.800 kJ/mol 03-91 MINTEQL-PSI - -analytic -68.08503E-1 00.00000E+0 95.06522E+1 00.00000E+0 00.00000E+0 + -analytic -68.08503E-1 00E+0 95.06522E+1 00E+0 00E+0 Al(PO4):2H2O(s) -Al(PO4):2H2O = +1.000Al+3 -2.000H+ +1.000H2(PO4)- +2.000H2O - log_k -2.51 #620BRG91.025 ANDRA 21.10.94 - -analytic -25.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al(PO4):2H2O = Al+3 - 2 H+ + H2(PO4)- + 2 H2O + log_k -2.51 #620BRG91.025 ANDRA 21.10.94 + -analytic -25.1E-1 00E+0 00E+0 00E+0 00E+0 Alabandite -MnS = +1.000Mn+2 -1.000H+ +1.000HS- - log_k +0.90 #88CHA/NEW - -analytic 90.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +MnS = Mn+2 - H+ + HS- + log_k 0.9 #88CHA/NEW + -analytic 90E-2 00E+0 00E+0 00E+0 00E+0 Alamosite -PbSiO3 = +1.000Pb+2 -2.000H+ +1.000H4(SiO4) -1.000H2O - log_k +6.17 - delta_h -29.451 #kJ/mol +PbSiO3 = Pb+2 - 2 H+ + H4(SiO4) - H2O + log_k 6.17 + delta_h -29.451 #kJ/mol # Enthalpy of formation: -1144.993 kJ/mol 98CHA - -analytic 10.10406E-1 00.00000E+0 15.38333E+2 00.00000E+0 00.00000E+0 + -analytic 10.10406E-1 00E+0 15.38333E+2 00E+0 00E+0 Albite-high -NaAlSi3O8 = +1.000Na+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -4.000H2O - log_k +4.14 - delta_h -95.622 #kJ/mol +NaAlSi3O8 = Na+ + Al+3 - 4 H+ + 3 H4(SiO4) - 4 H2O + log_k 4.14 + delta_h -95.622 #kJ/mol # Enthalpy of formation: -3923.380 kJ/mol 99ARN/STE - -analytic -12.61226E+0 00.00000E+0 49.94685E+2 00.00000E+0 00.00000E+0 + -analytic -12.61226E+0 00E+0 49.94685E+2 00E+0 00E+0 Albite-low -NaAlSi3O8 = +1.000Na+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -4.000H2O - log_k +2.74 - delta_h -82.812 #kJ/mol +NaAlSi3O8 = Na+ + Al+3 - 4 H+ + 3 H4(SiO4) - 4 H2O + log_k 2.74 + delta_h -82.812 #kJ/mol # Enthalpy of formation: -3936.190 kJ/mol 99ARN/STE - -analytic -11.76804E+0 00.00000E+0 43.25572E+2 00.00000E+0 00.00000E+0 - -Vm 100.070 + -analytic -11.76804E+0 00E+0 43.25572E+2 00E+0 00E+0 + -Vm 100.07 Am(cr) -Am = +1.000Am+3 +3.000e- - log_k +104.89 - delta_h -616.700 #kJ/mol +Am = Am+3 + 3 e- + log_k 104.89 + delta_h -616.7 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 95SIL/BID - -analytic -31.51202E-1 00.00000E+0 32.21248E+3 00.00000E+0 00.00000E+0 + -analytic -31.51202E-1 00E+0 32.21248E+3 00E+0 00E+0 Am(OH)3(am) -Am(OH)3 = -3.000H+ +1.000Am+3 +3.000H2O - log_k +16.90 #03GUI/FAN, 83RAI/STR, 83EDE/BUC, 85NIT/EDE - -analytic 16.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Am(OH)3 = -3 H+ + Am+3 + 3 H2O + log_k 16.9 #03GUI/FAN, 83RAI/STR, 83EDE/BUC, 85NIT/EDE + -analytic 16.9E+0 00E+0 00E+0 00E+0 00E+0 Am(OH)3(cr) -Am(OH)3 = -3.000H+ +1.000Am+3 +3.000H2O - log_k +15.60 #03GUI/FAN, 82SIL, 88STA/KIM1 - delta_h -120.992 #kJ/mol -# Enthalpy of formation: -1353.198 kJ/mol - -analytic -55.96889E-1 00.00000E+0 63.19852E+2 00.00000E+0 00.00000E+0 +Am(OH)3 = -3 H+ + Am+3 + 3 H2O + log_k 15.6 #03GUI/FAN, 82SIL, 88STA/KIM1 + delta_h -120.992 #kJ/mol +# Enthalpy of formation: -1353.198 kJ/mol + -analytic -55.96889E-1 00E+0 63.19852E+2 00E+0 00E+0 Am(PO4):0.5H2O(am) -Am(PO4):0.5H2O = -2.000H+ +1.000Am+3 +1.000H2(PO4)- +0.500H2O - log_k -5.23 #95SIL/BID - -analytic -52.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Am(PO4):0.5H2O = -2 H+ + Am+3 + H2(PO4)- + 0.5 H2O + log_k -5.23 #95SIL/BID + -analytic -52.3E-1 00E+0 00E+0 00E+0 00E+0 Am2(CO3)3(s) -Am2(CO3)3 = +2.000Am+3 +3.000CO3-2 - log_k -33.40 #03GUI/FAN - -analytic -33.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Am2(CO3)3 = 2 Am+3 + 3 CO3-2 + log_k -33.4 #03GUI/FAN + -analytic -33.4E+0 00E+0 00E+0 00E+0 00E+0 Am2O3(cr) -Am2O3 = -6.000H+ +2.000Am+3 +3.000H2O - log_k +53.12 - delta_h -400.490 #kJ/mol +Am2O3 = -6 H+ + 2 Am+3 + 3 H2O + log_k 53.12 + delta_h -400.49 #kJ/mol # Enthalpy of formation: -1690.400 kJ/mol 95SIL/BID - -analytic -17.04284E+0 00.00000E+0 20.91905E+3 00.00000E+0 00.00000E+0 + -analytic -17.04284E+0 00E+0 20.91905E+3 00E+0 00E+0 AmBr3(cr) -AmBr3 = +1.000Am+3 +3.000Br- - log_k +23.93 - delta_h -176.930 #kJ/mol +AmBr3 = Am+3 + 3 Br- + log_k 23.93 + delta_h -176.93 #kJ/mol # Enthalpy of formation: -804.000 kJ/mol 03GUI/FAN - -analytic -70.66805E-1 00.00000E+0 92.41698E+2 00.00000E+0 00.00000E+0 + -analytic -70.66805E-1 00E+0 92.41698E+2 00E+0 00E+0 AmCl3(cr) -AmCl3 = +1.000Am+3 +3.000Cl- - log_k +15.29 - delta_h -140.140 #kJ/mol +AmCl3 = Am+3 + 3 Cl- + log_k 15.29 + delta_h -140.14 #kJ/mol # Enthalpy of formation: -977.800 kJ/mol 95SIL/BID - -analytic -92.61474E-1 00.00000E+0 73.20022E+2 00.00000E+0 00.00000E+0 + -analytic -92.61474E-1 00E+0 73.20022E+2 00E+0 00E+0 AmCl6Cs2Na(cr) -AmCl6Cs2Na = +1.000Na+ +2.000Cs+ +1.000Am+3 +6.000Cl- - log_k +12.56 - delta_h -59.720 #kJ/mol +AmCl6Cs2Na = Na+ + 2 Cs+ + Am+3 + 6 Cl- + log_k 12.56 + delta_h -59.72 #kJ/mol # Enthalpy of formation: -2315.800 kJ/mol 03GUI/FAN - -analytic 20.97505E-1 00.00000E+0 31.19393E+2 00.00000E+0 00.00000E+0 + -analytic 20.97505E-1 00E+0 31.19393E+2 00E+0 00E+0 AmCO3OH(cr) -Am(CO3)(OH) = -1.000H+ +1.000Am+3 +1.000CO3-2 +1.000H2O - log_k -11.51 - delta_h -25.260 #kJ/mol +Am(CO3)(OH) = - H+ + Am+3 + CO3-2 + H2O + log_k -11.51 + delta_h -25.26 #kJ/mol # Enthalpy of formation: -1552.500 kJ/mol 05ROR/FUG - -analytic -15.93536E+0 00.00000E+0 13.19422E+2 00.00000E+0 00.00000E+0 + -analytic -15.93536E+0 00E+0 13.19422E+2 00E+0 00E+0 AmCO3OH(s) -Am(CO3)(OH) = -1.000H+ +1.000Am+3 +1.000CO3-2 +1.000H2O - log_k -6.20 #03GUI/FAN - -analytic -62.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Am(CO3)(OH) = - H+ + Am+3 + CO3-2 + H2O + log_k -6.2 #03GUI/FAN + -analytic -62E-1 00E+0 00E+0 00E+0 00E+0 AmCO3OH:0.5H2O(s) -Am(CO3)(OH):0.5H2O = -1.000H+ +1.000Am+3 +1.000CO3-2 +1.500H2O - log_k -8.40 #03GUI/FAN - delta_h -37.775 #kJ/mol +Am(CO3)(OH):0.5H2O = - H+ + Am+3 + CO3-2 + 1.5 H2O + log_k -8.4 #03GUI/FAN + delta_h -37.775 #kJ/mol # Enthalpy of formation: -1682.900 kJ/mol 03GUI/FAN - -analytic -15.01790E+0 00.00000E+0 19.73126E+2 00.00000E+0 00.00000E+0 + -analytic -15.0179E+0 00E+0 19.73126E+2 00E+0 00E+0 Amesite -Mg4Al4Si2O10(OH)8 = +4.000Mg+2 +4.000Al+3 -20.000H+ +2.000H4(SiO4) +10.000H2O - log_k +69.39 - delta_h -766.388 #kJ/mol +Mg4Al4Si2O10(OH)8 = 4 Mg+2 + 4 Al+3 - 20 H+ + 2 H4(SiO4) + 10 H2O + log_k 69.39 + delta_h -766.388 #kJ/mol # Enthalpy of formation: -9035.900 kJ/mol 05VID/PAR - -analytic -64.87541E+0 00.00000E+0 40.03123E+3 00.00000E+0 00.00000E+0 - -Vm 205.200 + -analytic -64.87541E+0 00E+0 40.03123E+3 00E+0 00E+0 + -Vm 205.2 Amesite-Fe -Fe4Al4Si2O10(OH)8 = +4.000Fe+2 +4.000Al+3 -20.000H+ +2.000H4(SiO4) +10.000H2O - log_k +57.10 - delta_h -688.008 #kJ/mol +Fe4Al4Si2O10(OH)8 = 4 Fe+2 + 4 Al+3 - 20 H+ + 2 H4(SiO4) + 10 H2O + log_k 57.1 + delta_h -688.008 #kJ/mol # Enthalpy of formation: -7607.460 kJ/mol 05VID/PAR - -analytic -63.43383E+0 00.00000E+0 35.93716E+3 00.00000E+0 00.00000E+0 - -Vm 209.000 + -analytic -63.43383E+0 00E+0 35.93716E+3 00E+0 00E+0 + -Vm 209 AmF3(cr) -AmF3 = +1.000Am+3 +3.000F- - log_k -13.40 - delta_h -28.750 #kJ/mol +AmF3 = Am+3 + 3 F- + log_k -13.4 + delta_h -28.75 #kJ/mol # Enthalpy of formation: -1594.000 kJ/mol 03GUI/FAN - -analytic -18.43678E+0 00.00000E+0 15.01717E+2 00.00000E+0 00.00000E+0 + -analytic -18.43678E+0 00E+0 15.01717E+2 00E+0 00E+0 AmI3(cr) -AmI3 = +1.000Am+3 +3.000I- - log_k +25.30 - delta_h -172.040 #kJ/mol +AmI3 = Am+3 + 3 I- + log_k 25.3 + delta_h -172.04 #kJ/mol # Enthalpy of formation: -615.000 kJ/mol 03GUI/FAN - -analytic -48.40114E-1 00.00000E+0 89.86275E+2 00.00000E+0 00.00000E+0 + -analytic -48.40114E-1 00E+0 89.86275E+2 00E+0 00E+0 AmO2(cr) -AmO2 = -4.000H+ +1.000Am+3 -1.000e- +2.000H2O - log_k +34.33 - delta_h -256.160 #kJ/mol +AmO2 = -4 H+ + Am+3 - e- + 2 H2O + log_k 34.33 + delta_h -256.16 #kJ/mol # Enthalpy of formation: -932.200 kJ/mol 95SIL/BID - -analytic -10.54731E+0 00.00000E+0 13.38017E+3 00.00000E+0 00.00000E+0 + -analytic -10.54731E+0 00E+0 13.38017E+3 00E+0 00E+0 AmO2OH(am) -AmO2OH = -1.000H+ +1.000AmO2+ +1.000H2O - log_k +5.30 #03GUI/FAN - -analytic 53.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +AmO2OH = - H+ + AmO2+ + H2O + log_k 5.3 #03GUI/FAN + -analytic 53E-1 00E+0 00E+0 00E+0 00E+0 AmOBr(cr) -AmOBr = -2.000H+ +1.000Am+3 +1.000Br- +1.000H2O - log_k +15.98 - delta_h -136.940 #kJ/mol +AmOBr = -2 H+ + Am+3 + Br- + H2O + log_k 15.98 + delta_h -136.94 #kJ/mol # Enthalpy of formation: -887.000 kJ/mol 03GUI/FAN - -analytic -80.10858E-1 00.00000E+0 71.52874E+2 00.00000E+0 00.00000E+0 + -analytic -80.10858E-1 00E+0 71.52874E+2 00E+0 00E+0 AmOCl(cr) -AmOCl = -2.000H+ +1.000Am+3 +1.000Cl- +1.000H2O - log_k +12.26 - delta_h -119.810 #kJ/mol +AmOCl = -2 H+ + Am+3 + Cl- + H2O + log_k 12.26 + delta_h -119.81 #kJ/mol # Enthalpy of formation: -949.800 kJ/mol 95SIL/BID - -analytic -87.29811E-1 00.00000E+0 62.58112E+2 00.00000E+0 00.00000E+0 + -analytic -87.29811E-1 00E+0 62.58112E+2 00E+0 00E+0 Analcime -Na0.99Al0.99Si2.01O6:H2O = +0.990Na+ +0.990Al+3 -3.960H+ +2.010H4(SiO4) -1.040H2O - log_k +6.64 - delta_h -102.689 #kJ/mol +Na0.99Al0.99Si2.01O6:H2O = 0.99 Na+ + 0.99 Al+3 - 3.96 H+ + 2.01 H4(SiO4) - 1.04 H2O + log_k 6.64 + delta_h -102.689 #kJ/mol # Enthalpy of formation: -3308.000 kJ/mol 04NEU/HOV - -analytic -11.35034E+0 00.00000E+0 53.63820E+2 00.00000E+0 00.00000E+0 - -Vm 97.090 + -analytic -11.35034E+0 00E+0 53.6382E+2 00E+0 00E+0 + -Vm 97.09 Andersonite -Na2CaUO2(CO3)3:6H2O = +1.000Ca+2 +2.000Na+ +1.000UO2+2 +3.000CO3-2 +6.000H2O - log_k -31.80 #19LEE/AMA - -analytic -31.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Na2CaUO2(CO3)3:6H2O = Ca+2 + 2 Na+ + UO2+2 + 3 CO3-2 + 6 H2O + log_k -31.8 #19LEE/AMA + -analytic -31.8E+0 00E+0 00E+0 00E+0 00E+0 Anglesite -Pb(SO4) = +1.000Pb+2 +1.000SO4-2 - log_k -7.85 - delta_h +11.550 #kJ/mol +Pb(SO4) = Pb+2 + SO4-2 + log_k -7.85 + delta_h 11.55 #kJ/mol # Enthalpy of formation: -919.970 kJ/mol 89COX/WAG - -analytic -58.26527E-1 00.00000E+0 -60.32985E+1 00.00000E+0 00.00000E+0 + -analytic -58.26527E-1 00E+0 -60.32985E+1 00E+0 00E+0 Anhydrite -Ca(SO4) = +1.000Ca+2 +1.000SO4-2 - log_k -4.44 - delta_h -17.940 #kJ/mol +Ca(SO4) = Ca+2 + SO4-2 + log_k -4.44 + delta_h -17.94 #kJ/mol # Enthalpy of formation: -1434.400 kJ/mol 95ROB/HEM - -analytic -75.82953E-1 00.00000E+0 93.70715E+1 00.00000E+0 00.00000E+0 - -Vm 46.010 + -analytic -75.82953E-1 00E+0 93.70715E+1 00E+0 00E+0 + -Vm 46.01 Annite -KFe3Si3AlO10(OH)2 = +1.000K+ +3.000Fe+2 +1.000Al+3 -10.000H+ +3.000H4(SiO4) - log_k +32.82 - delta_h -314.037 #kJ/mol +KFe3Si3AlO10(OH)2 = K+ + 3 Fe+2 + Al+3 - 10 H+ + 3 H4(SiO4) + log_k 32.82 + delta_h -314.037 #kJ/mol # Enthalpy of formation: -5130.970 kJ/mol 95DAC/BEN - -analytic -22.19692E+0 00.00000E+0 16.40329E+3 00.00000E+0 00.00000E+0 - -Vm 154.300 + -analytic -22.19692E+0 00E+0 16.40329E+3 00E+0 00E+0 + -Vm 154.3 Anorthite -CaAl2Si2O8 = +1.000Ca+2 +2.000Al+3 -8.000H+ +2.000H4(SiO4) - log_k +25.31 - delta_h -314.358 #kJ/mol +CaAl2Si2O8 = Ca+2 + 2 Al+3 - 8 H+ + 2 H4(SiO4) + log_k 25.31 + delta_h -314.358 #kJ/mol # Enthalpy of formation: -4227.830 kJ/mol 99ARN/STE - -analytic -29.76316E+0 00.00000E+0 16.42006E+3 00.00000E+0 00.00000E+0 + -analytic -29.76316E+0 00E+0 16.42006E+3 00E+0 00E+0 Antarcticite -CaCl2:6H2O = +1.000Ca+2 +2.000Cl- +6.000H2O - log_k +3.94 - delta_h +13.990 #kJ/mol +CaCl2:6H2O = Ca+2 + 2 Cl- + 6 H2O + log_k 3.94 + delta_h 13.99 #kJ/mol # Enthalpy of formation: -2606.130 kJ/mol 87GAR/PAR - -analytic 63.90943E-1 00.00000E+0 -73.07486E+1 00.00000E+0 00.00000E+0 + -analytic 63.90943E-1 00E+0 -73.07486E+1 00E+0 00E+0 Antigorite -Mg48Si34O85(OH)62 = +48.000Mg+2 -96.000H+ +34.000H4(SiO4) +11.000H2O - log_k +499.89 - delta_h -3822.746 #kJ/mol +Mg48Si34O85(OH)62 = 48 Mg+2 - 96 H+ + 34 H4(SiO4) + 11 H2O + log_k 499.89 + delta_h -3822.746 #kJ/mol # Enthalpy of formation: -71417.980kJ/mol 98HOL/POW - -analytic -16.98264E+1 00.00000E+0 19.96759E+4 00.00000E+0 00.00000E+0 - -Vm 1754.800 + -analytic -16.98264E+1 00E+0 19.96759E+4 00E+0 00E+0 + -Vm 1754.8 Antlerite -Cu3SO4(OH)4 = +3.000Cu+2 -4.000H+ +1.000SO4-2 +4.000H2O - log_k +8.91 - delta_h -117.063 #kJ/mol -# Enthalpy of formation: -1740.896 kJ/mol - -analytic -11.59856E+0 00.00000E+0 61.14626E+2 00.00000E+0 00.00000E+0 +Cu3SO4(OH)4 = 3 Cu+2 - 4 H+ + SO4-2 + 4 H2O + log_k 8.91 + delta_h -117.063 #kJ/mol +# Enthalpy of formation: -1740.896 kJ/mol + -analytic -11.59856E+0 00E+0 61.14626E+2 00E+0 00E+0 Aragonite -CaCO3 = +1.000Ca+2 +1.000CO3-2 - log_k -8.31 - delta_h -10.454 #kJ/mol +CaCO3 = Ca+2 + CO3-2 + log_k -8.31 + delta_h -10.454 #kJ/mol # Enthalpy of formation: -1207.776 kJ/mol 87GAR/PAR - -analytic -10.14146E+0 00.00000E+0 54.60504E+1 00.00000E+0 00.00000E+0 - -Vm 34.150 + -analytic -10.14146E+0 00E+0 54.60504E+1 00E+0 00E+0 + -Vm 34.15 Arcanite -K2SO4 = +2.000K+ +1.000SO4-2 - log_k -1.85 - delta_h +24.080 #kJ/mol +K2SO4 = 2 K+ + SO4-2 + log_k -1.85 + delta_h 24.08 #kJ/mol # Enthalpy of formation: -1437.700 kJ/mol 95ROB/HEM - -analytic 23.68635E-1 00.00000E+0 -12.57786E+2 00.00000E+0 00.00000E+0 - -Vm 65.500 + -analytic 23.68635E-1 00E+0 -12.57786E+2 00E+0 00E+0 + -Vm 65.5 Artinite -Mg2(CO3)(OH)2:3H2O = +2.000Mg+2 -2.000H+ +1.000CO3-2 +5.000H2O - log_k +9.81 - delta_h -117.780 #kJ/mol +Mg2(CO3)(OH)2:3H2O = 2 Mg+2 - 2 H+ + CO3-2 + 5 H2O + log_k 9.81 + delta_h -117.78 #kJ/mol # Enthalpy of formation: -2920.600 kJ/mol 73HEM/ROB - -analytic -10.82417E+0 00.00000E+0 61.52078E+2 00.00000E+0 00.00000E+0 + -analytic -10.82417E+0 00E+0 61.52078E+2 00E+0 00E+0 As(cr) -As = +8.000H+ +5.000e- +1.000AsO4-3 -4.000H2O - log_k -52.59 - delta_h +255.180 #kJ/mol +As = 8 H+ + 5 e- + AsO4-3 - 4 H2O + log_k -52.59 + delta_h 255.18 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 09RAN/FUG - -analytic -78.84383E-1 00.00000E+0 -13.32898E+3 00.00000E+0 00.00000E+0 + -analytic -78.84383E-1 00E+0 -13.32898E+3 00E+0 00E+0 As2O5(s) -As2O5 = +6.000H+ +2.000AsO4-3 -3.000H2O - log_k -35.34 - delta_h +10.640 #kJ/mol +As2O5 = 6 H+ + 2 AsO4-3 - 3 H2O + log_k -35.34 + delta_h 10.64 #kJ/mol # Enthalpy of formation: -929.430 kJ/mol 65BEE/MOR - -analytic -33.47595E+0 00.00000E+0 -55.57659E+1 00.00000E+0 00.00000E+0 + -analytic -33.47595E+0 00E+0 -55.57659E+1 00E+0 00E+0 Azurite -Cu3(CO3)2(OH)2 = +3.000Cu+2 -2.000H+ +2.000CO3-2 +2.000H2O - log_k -16.91 #91BAL/NOR in 07POW/BRO - delta_h -55.087 #kJ/mol -# Enthalpy of formation: -1672.333 kJ/mol - -analytic -26.56083E+0 00.00000E+0 28.77394E+2 00.00000E+0 00.00000E+0 +Cu3(CO3)2(OH)2 = 3 Cu+2 - 2 H+ + 2 CO3-2 + 2 H2O + log_k -16.91 #91BAL/NOR in 07POW/BRO + delta_h -55.087 #kJ/mol +# Enthalpy of formation: -1672.333 kJ/mol + -analytic -26.56083E+0 00E+0 28.77394E+2 00E+0 00E+0 B(cr) -B = +4.000H+ +3.000e- +1.000B(OH)4- -4.000H2O - log_k +35.93 - delta_h -201.796 #kJ/mol +B = 4 H+ + 3 e- + B(OH)4- - 4 H2O + log_k 35.93 + delta_h -201.796 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG - -analytic 57.68584E-2 00.00000E+0 10.54054E+3 00.00000E+0 00.00000E+0 + -analytic 57.68584E-2 00E+0 10.54054E+3 00E+0 00E+0 B(OH)3(cr) -B(OH)3 = +1.000H+ +1.000B(OH)4- -1.000H2O - log_k -9.31 - delta_h +35.514 #kJ/mol +B(OH)3 = H+ + B(OH)4- - H2O + log_k -9.31 + delta_h 35.514 #kJ/mol # Enthalpy of formation: -1094.800 kJ/mol 01LEM/FUG - -analytic -30.88214E-1 00.00000E+0 -18.55025E+2 00.00000E+0 00.00000E+0 + -analytic -30.88214E-1 00E+0 -18.55025E+2 00E+0 00E+0 B2O3(am) -B2O3 = +2.000H+ +2.000B(OH)4- -5.000H2O - log_k -10.63 - delta_h -6.712 #kJ/mol -# Enthalpy of formation: -1254.371 kJ/mol - -analytic -11.80589E+0 00.00000E+0 35.05922E+1 00.00000E+0 00.00000E+0 +B2O3 = 2 H+ + 2 B(OH)4- - 5 H2O + log_k -10.63 + delta_h -6.712 #kJ/mol +# Enthalpy of formation: -1254.371 kJ/mol + -analytic -11.80589E+0 00E+0 35.05922E+1 00E+0 00E+0 B2O3(cr) -B2O3 = +2.000H+ +2.000B(OH)4- -5.000H2O - log_k -12.74 - delta_h +12.418 #kJ/mol +B2O3 = 2 H+ + 2 B(OH)4- - 5 H2O + log_k -12.74 + delta_h 12.418 #kJ/mol # Enthalpy of formation: -1273.500 kJ/mol 01LEM/FUG - -analytic -10.56446E+0 00.00000E+0 -64.86373E+1 00.00000E+0 00.00000E+0 + -analytic -10.56446E+0 00E+0 -64.86373E+1 00E+0 00E+0 Ba(cr) -Ba = +1.000Ba+2 +2.000e- - log_k +97.70 - delta_h -534.800 #kJ/mol +Ba = Ba+2 + 2 e- + log_k 97.7 + delta_h -534.8 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG - -analytic 40.07062E-1 00.00000E+0 27.93455E+3 00.00000E+0 00.00000E+0 + -analytic 40.07062E-1 00E+0 27.93455E+3 00E+0 00E+0 Ba(OH)2:8H2O(cr) -Ba(OH)2:8H2O = +1.000Ba+2 -2.000H+ +10.000H2O - log_k +23.87 - delta_h -52.506 #kJ/mol -# Enthalpy of formation: -3340.591 kJ/mol - -analytic 14.67134E+0 00.00000E+0 27.42579E+2 00.00000E+0 00.00000E+0 +Ba(OH)2:8H2O = Ba+2 - 2 H+ + 10 H2O + log_k 23.87 + delta_h -52.506 #kJ/mol +# Enthalpy of formation: -3340.591 kJ/mol + -analytic 14.67134E+0 00E+0 27.42579E+2 00E+0 00E+0 Ba(SeO3)(s) -Ba(SeO3) = +1.000Ba+2 +1.000SeO3-2 - log_k -6.50 #05OLI/NOL - delta_h -5.260 #kJ/mol +Ba(SeO3) = Ba+2 + SeO3-2 + log_k -6.5 #05OLI/NOL + delta_h -5.26 #kJ/mol # Enthalpy of formation: -1036.700 kJ/mol 05OLI/NOL - -analytic -74.21512E-1 00.00000E+0 27.47489E+1 00.00000E+0 00.00000E+0 + -analytic -74.21512E-1 00E+0 27.47489E+1 00E+0 00E+0 Ba(SeO4)(cr) -Ba(SeO4) = +1.000Ba+2 +1.000SeO4-2 - log_k -7.56 #05OLI/NOL - delta_h +5.700 #kJ/mol +Ba(SeO4) = Ba+2 + SeO4-2 + log_k -7.56 #05OLI/NOL + delta_h 5.7 #kJ/mol # Enthalpy of formation: -1144.000 kJ/mol 05OLI/NOL - -analytic -65.61403E-1 00.00000E+0 -29.77317E+1 00.00000E+0 00.00000E+0 + -analytic -65.61403E-1 00E+0 -29.77317E+1 00E+0 00E+0 BaCl2(cr) -BaCl2 = +1.000Ba+2 +2.000Cl- - log_k +2.30 - delta_h -13.760 #kJ/mol +BaCl2 = Ba+2 + 2 Cl- + log_k 2.3 + delta_h -13.76 #kJ/mol # Enthalpy of formation: -855.200 kJ/mol 95SIL/BID - -analytic -11.06485E-2 00.00000E+0 71.87349E+1 00.00000E+0 00.00000E+0 + -analytic -11.06485E-2 00E+0 71.87349E+1 00E+0 00E+0 BaCl2:2H2O(s) -BaCl2:2H2O = +1.000Ba+2 +2.000Cl- +2.000H2O - log_k -0.34 - delta_h +19.420 #kJ/mol -# Enthalpy of formation: -1460.038 kJ/mol - -analytic 30.62238E-1 00.00000E+0 -10.14377E+2 00.00000E+0 00.00000E+0 +BaCl2:2H2O = Ba+2 + 2 Cl- + 2 H2O + log_k -0.34 + delta_h 19.42 #kJ/mol +# Enthalpy of formation: -1460.038 kJ/mol + -analytic 30.62238E-1 00E+0 -10.14377E+2 00E+0 00E+0 BaCl2:H2O(s) -BaCl2:H2O = +1.000Ba+2 +2.000Cl- +1.000H2O - log_k +0.28 - delta_h +5.747 #kJ/mol -# Enthalpy of formation: -1160.536 kJ/mol - -analytic 12.86831E-1 00.00000E+0 -30.01867E+1 00.00000E+0 00.00000E+0 +BaCl2:H2O = Ba+2 + 2 Cl- + H2O + log_k 0.28 + delta_h 5.747 #kJ/mol +# Enthalpy of formation: -1160.536 kJ/mol + -analytic 12.86831E-1 00E+0 -30.01867E+1 00E+0 00E+0 BaF2(cr) -BaF2 = +1.000Ba+2 +2.000F- - log_k -6.32 - delta_h +1.644 #kJ/mol -# Enthalpy of formation: -1207.143 kJ/mol - -analytic -60.31984E-1 00.00000E+0 -85.87210E+0 00.00000E+0 00.00000E+0 +BaF2 = Ba+2 + 2 F- + log_k -6.32 + delta_h 1.644 #kJ/mol +# Enthalpy of formation: -1207.143 kJ/mol + -analytic -60.31984E-1 00E+0 -85.8721E+0 00E+0 00E+0 BaHPO4(s) -BaHPO4 = +1.000Ba+2 -1.000H+ +1.000H2(PO4)- - log_k -0.19 #66SPI/MIK in 76SMI/MAR - delta_h -22.800 #kJ/mol +BaHPO4 = Ba+2 - H+ + H2(PO4)- + log_k -0.19 #66SPI/MIK in 76SMI/MAR + delta_h -22.8 #kJ/mol # Enthalpy of formation: -1814.600 kJ/mol 82WAG/EVA - -analytic -41.84389E-1 00.00000E+0 11.90927E+2 00.00000E+0 00.00000E+0 + -analytic -41.84389E-1 00E+0 11.90927E+2 00E+0 00E+0 BaMoO4(s) -BaMoO4 = +1.000Ba+2 +1.000MoO4-2 - log_k -7.83 - delta_h +13.779 #kJ/mol -# Enthalpy of formation: -1545.578 kJ/mol - -analytic -54.16023E-1 00.00000E+0 -71.97273E+1 00.00000E+0 00.00000E+0 +BaMoO4 = Ba+2 + MoO4-2 + log_k -7.83 + delta_h 13.779 #kJ/mol +# Enthalpy of formation: -1545.578 kJ/mol + -analytic -54.16023E-1 00E+0 -71.97273E+1 00E+0 00E+0 BaO(cr) -BaO = +1.000Ba+2 -2.000H+ +1.000H2O - log_k +48.07 - delta_h -272.530 #kJ/mol +BaO = Ba+2 - 2 H+ + H2O + log_k 48.07 + delta_h -272.53 #kJ/mol # Enthalpy of formation: -548.100 kJ/mol 95SIL/BID - -analytic 32.47935E-2 00.00000E+0 14.23523E+3 00.00000E+0 00.00000E+0 + -analytic 32.47935E-2 00E+0 14.23523E+3 00E+0 00E+0 Barite -Ba(SO4) = +1.000Ba+2 +1.000SO4-2 - log_k -9.97 #85LAN/MEL in 90NOR/PLU; Uncertainty to include available data. - delta_h +26.460 #kJ/mol 85LAN/MEL in 90NOR/PLU -# Enthalpy of formation: -1470.600 kJ/mol - -analytic -53.34407E-1 00.00000E+0 -13.82102E+2 00.00000E+0 00.00000E+0 - -Vm 52.100 +Ba(SO4) = Ba+2 + SO4-2 + log_k -9.97 #85LAN/MEL in 90NOR/PLU; Uncertainty to include available data. + delta_h 26.46 #kJ/mol 85LAN/MEL in 90NOR/PLU +# Enthalpy of formation: -1470.600 kJ/mol + -analytic -53.34407E-1 00E+0 -13.82102E+2 00E+0 00E+0 + -Vm 52.1 BaS(s) -BaS = +1.000Ba+2 -1.000H+ +1.000HS- - log_k +15.66 - delta_h -90.248 #kJ/mol -# Enthalpy of formation: -460.852 kJ/mol - -analytic -15.07709E-2 00.00000E+0 47.13981E+2 00.00000E+0 00.00000E+0 +BaS = Ba+2 - H+ + HS- + log_k 15.66 + delta_h -90.248 #kJ/mol +# Enthalpy of formation: -460.852 kJ/mol + -analytic -15.07709E-2 00E+0 47.13981E+2 00E+0 00E+0 Bassanite -CaSO4:0.5H2O = +1.000Ca+2 +1.000SO4-2 +0.500H2O - log_k -3.92 #06BLA/PIA - delta_h -17.358 #kJ/mol -# Enthalpy of formation: -1577.897 kJ/mol - -analytic -69.60991E-1 00.00000E+0 90.66715E+1 00.00000E+0 00.00000E+0 +CaSO4:0.5H2O = Ca+2 + SO4-2 + 0.5 H2O + log_k -3.92 #06BLA/PIA + delta_h -17.358 #kJ/mol +# Enthalpy of formation: -1577.897 kJ/mol + -analytic -69.60991E-1 00E+0 90.66715E+1 00E+0 00E+0 Bassetite -Fe(UO2)2(PO4)2 = +1.000Fe+2 +2.000UO2+2 -4.000H+ +2.000H2(PO4)- - log_k -1.07 #65MUT/HIR - delta_h -36.645 #kJ/mol -# Enthalpy of formation: -4696.849 kJ/mol - -analytic -74.89928E-1 00.00000E+0 19.14102E+2 00.00000E+0 00.00000E+0 +Fe(UO2)2(PO4)2 = Fe+2 + 2 UO2+2 - 4 H+ + 2 H2(PO4)- + log_k -1.07 #65MUT/HIR + delta_h -36.645 #kJ/mol +# Enthalpy of formation: -4696.849 kJ/mol + -analytic -74.89928E-1 00E+0 19.14102E+2 00E+0 00E+0 Be(cr) -Be = +2.000e- +1.000Be+2 - log_k +66.62 - delta_h -382.800 #kJ/mol +Be = 2 e- + Be+2 + log_k 66.62 + delta_h -382.8 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic -44.36812E-2 00.00000E+0 19.99504E+3 00.00000E+0 00.00000E+0 + -analytic -44.36812E-2 00E+0 19.99504E+3 00E+0 00E+0 Be(OH)2(alpha,cr) -Be(OH)2 = -2.000H+ +2.000H2O +1.000Be+2 - log_k +6.90 #20ÇEV/GAO - delta_h -51.812 #kJ/mol -# Enthalpy of formation: -902.647 kJ/mol - -analytic -21.77073E-1 00.00000E+0 27.06329E+2 00.00000E+0 00.00000E+0 +Be(OH)2 = -2 H+ + 2 H2O + Be+2 + log_k 6.9 #20ÇEV/GAO + delta_h -51.812 #kJ/mol +# Enthalpy of formation: -902.647 kJ/mol + -analytic -21.77073E-1 00E+0 27.06329E+2 00E+0 00E+0 Be(OH)2(beta,cr) -Be(OH)2 = -2.000H+ +2.000H2O +1.000Be+2 - log_k +5.90 #87BRU/GRE - delta_h -45.603 #kJ/mol -# Enthalpy of formation: -908.856 kJ/mol - -analytic -20.89303E-1 00.00000E+0 23.82011E+2 00.00000E+0 00.00000E+0 +Be(OH)2 = -2 H+ + 2 H2O + Be+2 + log_k 5.9 #87BRU/GRE + delta_h -45.603 #kJ/mol +# Enthalpy of formation: -908.856 kJ/mol + -analytic -20.89303E-1 00E+0 23.82011E+2 00E+0 00E+0 BeCl2(alpha,cr) -BeCl2 = +2.000Cl- +1.000Be+2 - log_k +34.42 - delta_h -226.030 #kJ/mol +BeCl2 = 2 Cl- + Be+2 + log_k 34.42 + delta_h -226.03 #kJ/mol # Enthalpy of formation: -490.930 kJ/mol 98CHA - -analytic -51.78756E-1 00.00000E+0 11.80637E+3 00.00000E+0 00.00000E+0 + -analytic -51.78756E-1 00E+0 11.80637E+3 00E+0 00E+0 BeCl2(beta,cr) -BeCl2 = +2.000Cl- +1.000Be+2 - log_k +33.85 - delta_h -220.738 #kJ/mol +BeCl2 = 2 Cl- + Be+2 + log_k 33.85 + delta_h -220.738 #kJ/mol # Enthalpy of formation: -496.222 kJ/mol 98CHA - -analytic -48.21638E-1 00.00000E+0 11.52995E+3 00.00000E+0 00.00000E+0 + -analytic -48.21638E-1 00E+0 11.52995E+3 00E+0 00E+0 Becquerelite(nat) -Ca(UO2)6O4(OH)6:8H2O = +1.000Ca+2 +6.000UO2+2 -14.000H+ +18.000H2O - log_k +29.00 #97CAS/BRU - delta_h -378.310 #kJ/mol +Ca(UO2)6O4(OH)6:8H2O = Ca+2 + 6 UO2+2 - 14 H+ + 18 H2O + log_k 29 #97CAS/BRU + delta_h -378.31 #kJ/mol # Enthalpy of formation: -11423.630kJ/mol 99CHE/EWI - -analytic -37.27707E+0 00.00000E+0 19.76051E+3 00.00000E+0 00.00000E+0 + -analytic -37.27707E+0 00E+0 19.76051E+3 00E+0 00E+0 Becquerelite(syn) -Ca(UO2)6O4(OH)6:8H2O = +1.000Ca+2 +6.000UO2+2 -14.000H+ +18.000H2O - log_k +40.50 #03GUI/FAN - -analytic 40.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ca(UO2)6O4(OH)6:8H2O = Ca+2 + 6 UO2+2 - 14 H+ + 18 H2O + log_k 40.5 #03GUI/FAN + -analytic 40.5E+0 00E+0 00E+0 00E+0 00E+0 BeF2(alfa,cr) -BeF2 = +2.000F- +1.000Be+2 - log_k -6.32 - delta_h -26.746 #kJ/mol +BeF2 = 2 F- + Be+2 + log_k -6.32 + delta_h -26.746 #kJ/mol # Enthalpy of formation: -1026.754 kJ/mol 98CHA - -analytic -11.00570E+0 00.00000E+0 13.97041E+2 00.00000E+0 00.00000E+0 + -analytic -11.0057E+0 00E+0 13.97041E+2 00E+0 00E+0 Beidellite_SBld-1 -Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2 = +0.185Ca+2 +0.090Mg+2 +0.104K+ +0.112Fe+3 +2.238Al+3 -7.704H+ +3.574H4(SiO4) -2.296H2O - log_k +7.58 - delta_h -224.605 #kJ/mol +Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.09Fe0.112)O10(OH)2 = 0.185 Ca+2 + 0.09 Mg+2 + 0.104 K+ + 0.112 Fe+3 + 2.238 Al+3 - 7.704 H+ + 3.574 H4(SiO4) - 2.296 H2O + log_k 7.58 + delta_h -224.605 #kJ/mol # Enthalpy of formation: -5720.690 kJ/mol 12GAI/BLA - -analytic -31.76911E+0 00.00000E+0 11.73194E+3 00.00000E+0 00.00000E+0 - -Vm 137.980 + -analytic -31.76911E+0 00E+0 11.73194E+3 00E+0 00E+0 + -Vm 137.98 Beidellite_SBld-1(4.576H2O) -Ca0.185K0.104Si3.574Al2.238Mg0.090Fe0.112O10(OH)2:4.576H2O = +0.185Ca+2 +0.090Mg+2 +0.104K+ +0.112Fe+3 +2.238Al+3 -7.704H+ +3.574H4(SiO4) +2.280H2O - log_k +4.26 - delta_h -193.803 #kJ/mol +Ca0.185K0.104Si3.574Al2.238Mg0.09Fe0.112O10(OH)2:4.576H2O = 0.185 Ca+2 + 0.09 Mg+2 + 0.104 K+ + 0.112 Fe+3 + 2.238 Al+3 - 7.704 H+ + 3.574 H4(SiO4) + 2.28 H2O + log_k 4.26 + delta_h -193.803 #kJ/mol # Enthalpy of formation: -7059.450 kJ/mol 12GAI/BLA - -analytic -29.69283E+0 00.00000E+0 10.12304E+3 00.00000E+0 00.00000E+0 - -Vm 220.670 + -analytic -29.69283E+0 00E+0 10.12304E+3 00E+0 00E+0 + -Vm 220.67 Beidellite-Ca -Ca0.17Al2.34Si3.66O10(OH)2 = +0.170Ca+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k +5.77 - delta_h -207.635 #kJ/mol +Ca0.17Al2.34Si3.66O10(OH)2 = 0.17 Ca+2 + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 5.77 + delta_h -207.635 #kJ/mol # Enthalpy of formation: -5737.910 kJ/mol 15BLA/VIE - -analytic -30.60609E+0 00.00000E+0 10.84553E+3 00.00000E+0 00.00000E+0 - -Vm 134.100 + -analytic -30.60609E+0 00E+0 10.84553E+3 00E+0 00E+0 + -Vm 134.1 Beidellite-K -K0.34Al2.34Si3.66O10(OH)2 = +0.340K+ +2.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k +4.60 - delta_h -189.102 #kJ/mol +K0.34Al2.34Si3.66O10(OH)2 = 0.34 K+ + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 4.6 + delta_h -189.102 #kJ/mol # Enthalpy of formation: -5749.860 kJ/mol 15BLA/VIE - -analytic -28.52925E+0 00.00000E+0 98.77485E+2 00.00000E+0 00.00000E+0 - -Vm 133.220 + -analytic -28.52925E+0 00E+0 98.77485E+2 00E+0 00E+0 + -Vm 133.22 Beidellite-Mg -Mg0.17Al2.34Si3.66O10(OH)2 = +0.170Mg+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k +5.23 - delta_h -208.815 #kJ/mol +Mg0.17Al2.34Si3.66O10(OH)2 = 0.17 Mg+2 + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 5.23 + delta_h -208.815 #kJ/mol # Enthalpy of formation: -5723.810 kJ/mol 15BLA/VIE - -analytic -31.35282E+0 00.00000E+0 10.90717E+3 00.00000E+0 00.00000E+0 - -Vm 130.110 + -analytic -31.35282E+0 00E+0 10.90717E+3 00E+0 00E+0 + -Vm 130.11 Beidellite-Na -Na0.34Al2.34Si3.66O10(OH)2 = +0.340Na+ +2.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k +5.10 - delta_h -197.720 #kJ/mol +Na0.34Al2.34Si3.66O10(OH)2 = 0.34 Na+ + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 5.1 + delta_h -197.72 #kJ/mol # Enthalpy of formation: -5737.230 kJ/mol 15BLA/VIE - -analytic -29.53906E+0 00.00000E+0 10.32763E+3 00.00000E+0 00.00000E+0 - -Vm 132.490 + -analytic -29.53906E+0 00E+0 10.32763E+3 00E+0 00E+0 + -Vm 132.49 BeO(cr) -BeO = -2.000H+ +1.000H2O +1.000Be+2 - log_k +6.72 - delta_h -60.276 #kJ/mol +BeO = -2 H+ + H2O + Be+2 + log_k 6.72 + delta_h -60.276 #kJ/mol # Enthalpy of formation: -608.354 kJ/mol 98CHA - -analytic -38.39902E-1 00.00000E+0 31.48435E+2 00.00000E+0 00.00000E+0 + -analytic -38.39902E-1 00E+0 31.48435E+2 00E+0 00E+0 Berlinite -Al(PO4) = +1.000Al+3 -2.000H+ +1.000H2(PO4)- - log_k -0.57 #96FAL/REA - -analytic -57.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Al(PO4) = Al+3 - 2 H+ + H2(PO4)- + log_k -0.57 #96FAL/REA + -analytic -57E-2 00E+0 00E+0 00E+0 00E+0 Berndtite -SnS2 = +1.000Sn+4 -2.000H+ +2.000HS- - log_k -37.56 - delta_h +87.389 #kJ/mol +SnS2 = Sn+4 - 2 H+ + 2 HS- + log_k -37.56 + delta_h 87.389 #kJ/mol # Enthalpy of formation: -151.500 kJ/mol 12GAM/GAJ - -analytic -22.25010E+0 00.00000E+0 -45.64645E+2 00.00000E+0 00.00000E+0 + -analytic -22.2501E+0 00E+0 -45.64645E+2 00E+0 00E+0 Berthierine(FeII) -(Fe2Al)(SiAl)O5(OH)4 = +2.000Fe+2 +2.000Al+3 -10.000H+ +1.000H4(SiO4) +5.000H2O - log_k +34.61 - delta_h -377.274 #kJ/mol +(Fe2Al)(SiAl)O5(OH)4 = 2 Fe+2 + 2 Al+3 - 10 H+ + H4(SiO4) + 5 H2O + log_k 34.61 + delta_h -377.274 #kJ/mol # Enthalpy of formation: -3770.460 kJ/mol 15BLA/VIE - -analytic -31.48557E+0 00.00000E+0 19.70639E+3 00.00000E+0 00.00000E+0 - -Vm 103.860 + -analytic -31.48557E+0 00E+0 19.70639E+3 00E+0 00E+0 + -Vm 103.86 Berthierine(FeIII) -(Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4 = +0.330Fe+3 +2.340Fe+2 +0.990Al+3 -8.640H+ +1.340H4(SiO4) +3.640H2O - log_k +28.85 - delta_h -301.216 #kJ/mol +(Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4 = 0.33 Fe+3 + 2.34 Fe+2 + 0.99 Al+3 - 8.64 H+ + 1.34 H4(SiO4) + 3.64 H2O + log_k 28.85 + delta_h -301.216 #kJ/mol # Enthalpy of formation: -3458.030 kJ/mol 15BLA/VIE - -analytic -23.92078E+0 00.00000E+0 15.73361E+3 00.00000E+0 00.00000E+0 - -Vm 103.270 + -analytic -23.92078E+0 00E+0 15.73361E+3 00E+0 00E+0 + -Vm 103.27 Berthierine_ISGS -(Si1.332Al0.668)(Al0.976Fe0.182Fe1.44Mg0.157)O5(OH)4 = +0.157Mg+2 +0.182Fe+3 +1.440Fe+2 +1.644Al+3 -8.672H+ +1.332H4(SiO4) +3.672H2O - log_k +27.94 - delta_h -319.002 #kJ/mol +(Si1.332Al0.668)(Al0.976Fe0.182Fe1.44Mg0.157)O5(OH)4 = 0.157 Mg+2 + 0.182 Fe+3 + 1.44 Fe+2 + 1.644 Al+3 - 8.672 H+ + 1.332 H4(SiO4) + 3.672 H2O + log_k 27.94 + delta_h -319.002 #kJ/mol # Enthalpy of formation: -3774.460 kJ/mol 13BLA/GAI2 - -analytic -27.94675E+0 00.00000E+0 16.66263E+3 00.00000E+0 00.00000E+0 - -Vm 101.160 + -analytic -27.94675E+0 00E+0 16.66263E+3 00E+0 00E+0 + -Vm 101.16 Berthierine_Lorraine -Fe0.608Fe0.936Mg0.37Al1.052Si1.52O5(OH)4 = +0.370Mg+2 +0.936Fe+3 +0.608Fe+2 +1.052Al+3 -7.920H+ +1.520H4(SiO4) +2.920H2O - log_k +1.01 - delta_h -163.677 #kJ/mol +Fe0.608Fe0.936Mg0.37Al1.052Si1.52O5(OH)4 = 0.37 Mg+2 + 0.936 Fe+3 + 0.608 Fe+2 + 1.052 Al+3 - 7.92 H+ + 1.52 H4(SiO4) + 2.92 H2O + log_k 1.01 + delta_h -163.677 #kJ/mol # Enthalpy of formation: -3732.900 kJ/mol 08GAI - -analytic -27.66498E+0 00.00000E+0 85.49445E+2 00.00000E+0 00.00000E+0 - -Vm 103.800 + -analytic -27.66498E+0 00E+0 85.49445E+2 00E+0 00E+0 + -Vm 103.8 BeSO4(alfa,cr) -BeSO4 = +1.000SO4-2 +1.000Be+2 - log_k +6.12 - delta_h -91.340 #kJ/mol +BeSO4 = SO4-2 + Be+2 + log_k 6.12 + delta_h -91.34 #kJ/mol # Enthalpy of formation: -1200.800 kJ/mol 98CHA - -analytic -98.82081E-1 00.00000E+0 47.71020E+2 00.00000E+0 00.00000E+0 + -analytic -98.82081E-1 00E+0 47.7102E+2 00E+0 00E+0 Bieberite -CoSO4:7H2O = +1.000Co+2 +1.000SO4-2 +7.000H2O - log_k -2.35 - delta_h +11.840 #kJ/mol +CoSO4:7H2O = Co+2 + SO4-2 + 7 H2O + log_k -2.35 + delta_h 11.84 #kJ/mol # Enthalpy of formation: -2979.590 kJ/mol 74NAU/RYZ - -analytic -27.57210E-2 00.00000E+0 -61.84463E+1 00.00000E+0 00.00000E+0 + -analytic -27.5721E-2 00E+0 -61.84463E+1 00E+0 00E+0 Bischofite -MgCl2:6H2O = +1.000Mg+2 +2.000Cl- +6.000H2O - log_k +4.46 #84HAR/MOL - delta_h -8.710 #kJ/mol +MgCl2:6H2O = Mg+2 + 2 Cl- + 6 H2O + log_k 4.46 #84HAR/MOL + delta_h -8.71 #kJ/mol # Enthalpy of formation: -2507.430 kJ/mol 84HAR/MOL - -analytic 29.34074E-1 00.00000E+0 45.49550E+1 00.00000E+0 00.00000E+0 + -analytic 29.34074E-1 00E+0 45.4955E+1 00E+0 00E+0 Bloedite -Na2Mg(SO4)2:4H2O = +1.000Mg+2 +2.000Na+ +2.000SO4-2 +4.000H2O - log_k -2.35 #84HAR/MOL - -analytic -23.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Na2Mg(SO4)2:4H2O = Mg+2 + 2 Na+ + 2 SO4-2 + 4 H2O + log_k -2.35 #84HAR/MOL + -analytic -23.5E-1 00E+0 00E+0 00E+0 00E+0 Boehmite -AlO(OH) = +1.000Al+3 -3.000H+ +2.000H2O - log_k +7.62 - delta_h -113.660 #kJ/mol +AlO(OH) = Al+3 - 3 H+ + 2 H2O + log_k 7.62 + delta_h -113.66 #kJ/mol # Enthalpy of formation: -996.400 kJ/mol 95ROB/HEM - -analytic -12.29238E+0 00.00000E+0 59.36875E+2 00.00000E+0 00.00000E+0 + -analytic -12.29238E+0 00E+0 59.36875E+2 00E+0 00E+0 Br2(l) -Br2 = -2.000e- +2.000Br- - log_k -36.39 - delta_h +242.820 #kJ/mol +Br2 = -2 e- + 2 Br- + log_k -36.39 + delta_h 242.82 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic 61.50238E-1 00.00000E+0 -12.68337E+3 00.00000E+0 00.00000E+0 + -analytic 61.50238E-1 00E+0 -12.68337E+3 00E+0 00E+0 Brochantite -Cu4SO4(OH)6 = +4.000Cu+2 -6.000H+ +1.000SO4-2 +6.000H2O - log_k +15.54 - delta_h -176.191 #kJ/mol -# Enthalpy of formation: -2188.527 kJ/mol - -analytic -15.32734E+0 00.00000E+0 92.03097E+2 00.00000E+0 00.00000E+0 +Cu4SO4(OH)6 = 4 Cu+2 - 6 H+ + SO4-2 + 6 H2O + log_k 15.54 + delta_h -176.191 #kJ/mol +# Enthalpy of formation: -2188.527 kJ/mol + -analytic -15.32734E+0 00E+0 92.03097E+2 00E+0 00E+0 Brucite -Mg(OH)2 = +1.000Mg+2 -2.000H+ +2.000H2O - log_k +17.10 #03ALT/MET - delta_h -114.160 #kJ/mol +Mg(OH)2 = Mg+2 - 2 H+ + 2 H2O + log_k 17.1 #03ALT/MET + delta_h -114.16 #kJ/mol # Enthalpy of formation: -924.500 kJ/mol 95ROB/HEM - -analytic -28.99973E-1 00.00000E+0 59.62992E+2 00.00000E+0 00.00000E+0 - -Vm 24.630 + -analytic -28.99973E-1 00E+0 59.62992E+2 00E+0 00E+0 + -Vm 24.63 Brushite -Ca(HPO4):2H2O = +1.000Ca+2 -1.000H+ +1.000H2(PO4)- +2.000H2O - log_k +0.60 #84NAN - delta_h -7.375 #kJ/mol -# Enthalpy of formation: -2409.884 kJ/mol - -analytic -69.20445E-2 00.00000E+0 38.52231E+1 00.00000E+0 00.00000E+0 +Ca(HPO4):2H2O = Ca+2 - H+ + H2(PO4)- + 2 H2O + log_k 0.6 #84NAN + delta_h -7.375 #kJ/mol +# Enthalpy of formation: -2409.884 kJ/mol + -analytic -69.20445E-2 00E+0 38.52231E+1 00E+0 00E+0 Bunsenite -NiO = +1.000Ni+2 -2.000H+ +1.000H2O - log_k +12.48 - delta_h -101.142 #kJ/mol +NiO = Ni+2 - 2 H+ + H2O + log_k 12.48 + delta_h -101.142 #kJ/mol # Enthalpy of formation: -239.700 kJ/mol 05GAM/BUG - -analytic -52.39318E-1 00.00000E+0 52.83015E+2 00.00000E+0 00.00000E+0 + -analytic -52.39318E-1 00E+0 52.83015E+2 00E+0 00E+0 Burkeite -Na6(CO3)(SO4)2 = +6.000Na+ +1.000CO3-2 +2.000SO4-2 - log_k -0.77 #84HAR/MOL - -analytic -77.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Na6(CO3)(SO4)2 = 6 Na+ + CO3-2 + 2 SO4-2 + log_k -0.77 #84HAR/MOL + -analytic -77E-2 00E+0 00E+0 00E+0 00E+0 C(cr) -C = +6.000H+ +4.000e- +1.000CO3-2 -3.000H2O - log_k -32.15 - delta_h +182.260 #kJ/mol +C = 6 H+ + 4 e- + CO3-2 - 3 H2O + log_k -32.15 + delta_h 182.26 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic -21.94186E-2 00.00000E+0 -95.20103E+2 00.00000E+0 00.00000E+0 + -analytic -21.94186E-2 00E+0 -95.20103E+2 00E+0 00E+0 C2SH(alpha) -Ca2(HSiO4)(OH) = +2.000Ca+2 -4.000H+ +1.000H4(SiO4) +1.000H2O - log_k +35.54 - delta_h -198.104 #kJ/mol +Ca2(HSiO4)(OH) = 2 Ca+2 - 4 H+ + H4(SiO4) + H2O + log_k 35.54 + delta_h -198.104 #kJ/mol # Enthalpy of formation: -2634.920 kJ/mol 10BLA/BOU1 - -analytic 83.36690E-2 00.00000E+0 10.34769E+3 00.00000E+0 00.00000E+0 - -Vm 71.120 + -analytic 83.3669E-2 00E+0 10.34769E+3 00E+0 00E+0 + -Vm 71.12 C3AH6 -Ca3Al2(OH)12 = +3.000Ca+2 +2.000Al+3 -12.000H+ +12.000H2O - log_k +80.32 #10BLA/BOU2 - delta_h -584.260 #kJ/mol +Ca3Al2(OH)12 = 3 Ca+2 + 2 Al+3 - 12 H+ + 12 H2O + log_k 80.32 #10BLA/BOU2 + delta_h -584.26 #kJ/mol # Enthalpy of formation: -5551.500 kJ/mol 99SCH/NAV - -analytic -22.03796E+0 00.00000E+0 30.51803E+3 00.00000E+0 00.00000E+0 - -Vm 149.520 + -analytic -22.03796E+0 00E+0 30.51803E+3 00E+0 00E+0 + -Vm 149.52 C3FH6 -Ca3Fe2(OH)12 = +3.000Ca+2 +2.000Fe+3 -12.000H+ +12.000H2O - log_k +72.33 - delta_h -511.482 #kJ/mol +Ca3Fe2(OH)12 = 3 Ca+2 + 2 Fe+3 - 12 H+ + 12 H2O + log_k 72.33 + delta_h -511.482 #kJ/mol # Enthalpy of formation: -4647.590 kJ/mol 10BLA/BOU2 - -analytic -17.27780E+0 00.00000E+0 26.71657E+3 00.00000E+0 00.00000E+0 - -Vm 154.500 + -analytic -17.2778E+0 00E+0 26.71657E+3 00E+0 00E+0 + -Vm 154.5 C4AH13 -Ca4Al2(OH)14:6H2O = +4.000Ca+2 +2.000Al+3 -14.000H+ +20.000H2O - log_k +103.65 #10BLA/BOU2 - delta_h -647.400 #kJ/mol +Ca4Al2(OH)14:6H2O = 4 Ca+2 + 2 Al+3 - 14 H+ + 20 H2O + log_k 103.65 #10BLA/BOU2 + delta_h -647.4 #kJ/mol # Enthalpy of formation: -8318.000 kJ/mol 76HOU/STE - -analytic -97.69611E-1 00.00000E+0 33.81606E+3 00.00000E+0 00.00000E+0 - -Vm 269.200 + -analytic -97.69611E-1 00E+0 33.81606E+3 00E+0 00E+0 + -Vm 269.2 C4FH13 -Ca4Fe2(OH)14:6H2O = +4.000Ca+2 +2.000Fe+3 -14.000H+ +20.000H2O - log_k +95.08 - delta_h -571.312 #kJ/mol +Ca4Fe2(OH)14:6H2O = 4 Ca+2 + 2 Fe+3 - 14 H+ + 20 H2O + log_k 95.08 + delta_h -571.312 #kJ/mol # Enthalpy of formation: -7417.400 kJ/mol 10BLA/BOU2 - -analytic -50.09566E-1 00.00000E+0 29.84170E+3 00.00000E+0 00.00000E+0 - -Vm 274.400 + -analytic -50.09566E-1 00E+0 29.8417E+3 00E+0 00E+0 + -Vm 274.4 Ca(Adipate)(s) -Ca(Adipate) = +1.000Ca+2 +1.000Adipate-2 - log_k -3.30 #12GRI/GAR2 - -analytic -33.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ca(Adipate) = Ca+2 + Adipate-2 + log_k -3.3 #12GRI/GAR2 + -analytic -33E-1 00E+0 00E+0 00E+0 00E+0 Ca(cr) -Ca = +1.000Ca+2 +2.000e- - log_k +96.85 - delta_h -543.000 #kJ/mol +Ca = Ca+2 + 2 e- + log_k 96.85 + delta_h -543 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic 17.20484E-1 00.00000E+0 28.36287E+3 00.00000E+0 00.00000E+0 + -analytic 17.20484E-1 00E+0 28.36287E+3 00E+0 00E+0 Ca(HGlu)2(s) -Ca(HGlu)2 = +1.000Ca+2 +2.000HGlu- - log_k -4.19 #99VAN/GLA - -analytic -41.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ca(HGlu)2 = Ca+2 + 2 HGlu- + log_k -4.19 #99VAN/GLA + -analytic -41.9E-1 00E+0 00E+0 00E+0 00E+0 Ca(HIsa)2(cr) -Ca(HIsa)2 = +1.000Ca+2 +2.000HIsa- - log_k -6.40 #05HUM/AND - -analytic -64.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ca(HIsa)2 = Ca+2 + 2 HIsa- + log_k -6.4 #05HUM/AND + -analytic -64E-1 00E+0 00E+0 00E+0 00E+0 Ca(HPO4)(s) -Ca(HPO4) = +1.000Ca+2 -1.000H+ +1.000H2(PO4)- - log_k +0.30 #84NAN - delta_h -24.098 #kJ/mol -# Enthalpy of formation: -1821.502 kJ/mol - -analytic -39.21788E-1 00.00000E+0 12.58726E+2 00.00000E+0 00.00000E+0 +Ca(HPO4) = Ca+2 - H+ + H2(PO4)- + log_k 0.3 #84NAN + delta_h -24.098 #kJ/mol +# Enthalpy of formation: -1821.502 kJ/mol + -analytic -39.21788E-1 00E+0 12.58726E+2 00E+0 00E+0 Ca(NO3)2(s) -Ca(NO3)2 = +1.000Ca+2 +2.000NO3- - log_k +5.89 #96FAL/REA - -analytic 58.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ca(NO3)2 = Ca+2 + 2 NO3- + log_k 5.89 #96FAL/REA + -analytic 58.9E-1 00E+0 00E+0 00E+0 00E+0 Ca(Ox):2H2O(s) -Ca(Ox):2H2O = +1.000Ca+2 +1.000Ox-2 +2.000H2O - log_k -8.30 #05HUM/AND - delta_h +25.200 #kJ/mol 05HUM/AND -# Enthalpy of formation: -1970.520 kJ/mol - -analytic -38.85150E-1 00.00000E+0 -13.16288E+2 00.00000E+0 00.00000E+0 +Ca(Ox):2H2O = Ca+2 + Ox-2 + 2 H2O + log_k -8.3 #05HUM/AND + delta_h 25.2 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1970.520 kJ/mol + -analytic -38.8515E-1 00E+0 -13.16288E+2 00E+0 00E+0 Ca(Ox):3H2O(s) -Ca(Ox):3H2O = +1.000Ca+2 +1.000Ox-2 +3.000H2O - log_k -8.19 #05HUM/AND - delta_h +29.700 #kJ/mol 05HUM/AND -# Enthalpy of formation: -2260.850 kJ/mol - -analytic -29.86783E-1 00.00000E+0 -15.51339E+2 00.00000E+0 00.00000E+0 +Ca(Ox):3H2O = Ca+2 + Ox-2 + 3 H2O + log_k -8.19 #05HUM/AND + delta_h 29.7 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2260.850 kJ/mol + -analytic -29.86783E-1 00E+0 -15.51339E+2 00E+0 00E+0 Ca(Ox):H2O(s) -Ca(Ox):H2O = +1.000Ca+2 +1.000Ox-2 +1.000H2O - log_k -8.73 #05HUM/AND - delta_h +21.500 #kJ/mol 05HUM/AND -# Enthalpy of formation: -1680.990 kJ/mol - -analytic -49.63362E-1 00.00000E+0 -11.23023E+2 00.00000E+0 00.00000E+0 +Ca(Ox):H2O = Ca+2 + Ox-2 + H2O + log_k -8.73 #05HUM/AND + delta_h 21.5 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1680.990 kJ/mol + -analytic -49.63362E-1 00E+0 -11.23023E+2 00E+0 00E+0 Ca(SeO3):H2O(s) -Ca(SeO3):H2O = +1.000Ca+2 +1.000SeO3-2 +1.000H2O - log_k -6.40 #05OLI/NOL - delta_h -11.190 #kJ/mol +Ca(SeO3):H2O = Ca+2 + SeO3-2 + H2O + log_k -6.4 #05OLI/NOL + delta_h -11.19 #kJ/mol # Enthalpy of formation: -1324.800 kJ/mol 05OLI/NOL - -analytic -83.60404E-1 00.00000E+0 58.44944E+1 00.00000E+0 00.00000E+0 + -analytic -83.60404E-1 00E+0 58.44944E+1 00E+0 00E+0 Ca(SeO4):2H2O(s) -Ca(SeO4):2H2O = +1.000Ca+2 +1.000SeO4-2 +2.000H2O - log_k -2.68 #05OLI/NOL - delta_h -9.160 #kJ/mol +Ca(SeO4):2H2O = Ca+2 + SeO4-2 + 2 H2O + log_k -2.68 #05OLI/NOL + delta_h -9.16 #kJ/mol # Enthalpy of formation: -1709.000 kJ/mol 05OLI/NOL - -analytic -42.84763E-1 00.00000E+0 47.84601E+1 00.00000E+0 00.00000E+0 + -analytic -42.84763E-1 00E+0 47.84601E+1 00E+0 00E+0 Ca(SO3)(s) -Ca(SO3) = +1.000Ca+2 +1.000SO3-2 - log_k -6.50 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) - -analytic -65.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ca(SO3) = Ca+2 + SO3-2 + log_k -6.5 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY) + -analytic -65E-1 00E+0 00E+0 00E+0 00E+0 Ca0.5NpO2(OH)2:1.3H2O(cr) -Ca0.5NpO2(OH)2:1.3H2O = +0.500Ca+2 +1.000NpO2+ -2.000H+ +3.300H2O - log_k +12.30 #20GRE/GAO - -analytic 12.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ca0.5NpO2(OH)2:1.3H2O = 0.5 Ca+2 + NpO2+ - 2 H+ + 3.3 H2O + log_k 12.3 #20GRE/GAO + -analytic 12.3E+0 00E+0 00E+0 00E+0 00E+0 Ca2(Pyrophos)(s) -Ca2(Pyrophos) = +2.000Ca+2 +1.000Pyrophos-4 - log_k -15.50 #88CHA/NEW - -analytic -15.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ca2(Pyrophos) = 2 Ca+2 + Pyrophos-4 + log_k -15.5 #88CHA/NEW + -analytic -15.5E+0 00E+0 00E+0 00E+0 00E+0 Ca2Cl2(OH)2:H2O(s) -Ca2Cl2(OH)2:H2O = +2.000Ca+2 -2.000H+ +2.000Cl- +3.000H2O - log_k +26.53 #84HAR/MOL - -analytic 26.53000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ca2Cl2(OH)2:H2O = 2 Ca+2 - 2 H+ + 2 Cl- + 3 H2O + log_k 26.53 #84HAR/MOL + -analytic 26.53E+0 00E+0 00E+0 00E+0 00E+0 Ca2Fe2O5(s) -Ca2Fe2O5 = +2.000Ca+2 +2.000Fe+3 -10.000H+ +5.000H2O - log_k +56.74 - delta_h -476.962 #kJ/mol +Ca2Fe2O5 = 2 Ca+2 + 2 Fe+3 - 10 H+ + 5 H2O + log_k 56.74 + delta_h -476.962 #kJ/mol # Enthalpy of formation: -2138.300 kJ/mol 95ROB/HEM - -analytic -26.82016E+0 00.00000E+0 24.91346E+3 00.00000E+0 00.00000E+0 + -analytic -26.82016E+0 00E+0 24.91346E+3 00E+0 00E+0 Ca2ZrSi3O12(cr) -Ca2ZrSi3O12 = +2.000Ca+2 -12.000H+ -4.000e- +3.000H4(SiO4) +1.000Zr+4 - log_k -68.27 - delta_h +204.918 #kJ/mol +Ca2ZrSi3O12 = 2 Ca+2 - 12 H+ - 4 e- + 3 H4(SiO4) + Zr+4 + log_k -68.27 + delta_h 204.918 #kJ/mol # Enthalpy of formation: -6283.000 kJ/mol 05BRO/CUR - -analytic -32.36991E+0 00.00000E+0 -10.70361E+3 00.00000E+0 00.00000E+0 + -analytic -32.36991E+0 00E+0 -10.70361E+3 00E+0 00E+0 Ca3(AsO4)2:xH2O -Ca3(AsO4)2 = +3.000Ca+2 +2.000AsO4-3 - log_k -21.00 #11GRI/COL4 - -analytic -21.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ca3(AsO4)2 = 3 Ca+2 + 2 AsO4-3 + log_k -21 #11GRI/COL4 + -analytic -21E+0 00E+0 00E+0 00E+0 00E+0 Ca3(Cit)2:4H2O(s) -Ca3(Cit)2:4H2O = +3.000Ca+2 +2.000Cit-3 +4.000H2O - log_k -17.90 #05HUM/AND - -analytic -17.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ca3(Cit)2:4H2O = 3 Ca+2 + 2 Cit-3 + 4 H2O + log_k -17.9 #05HUM/AND + -analytic -17.9E+0 00E+0 00E+0 00E+0 00E+0 Ca3(PO4)2(alfa) -Ca3(PO4)2 = +3.000Ca+2 -4.000H+ +2.000H2(PO4)- - log_k +10.22 #84NAN - delta_h -125.300 #kJ/mol -# Enthalpy of formation: -4108.898 kJ/mol - -analytic -11.73162E+0 00.00000E+0 65.44875E+2 00.00000E+0 00.00000E+0 +Ca3(PO4)2 = 3 Ca+2 - 4 H+ + 2 H2(PO4)- + log_k 10.22 #84NAN + delta_h -125.3 #kJ/mol +# Enthalpy of formation: -4108.898 kJ/mol + -analytic -11.73162E+0 00E+0 65.44875E+2 00E+0 00E+0 Ca3B2O6(s) -Ca3B2O6 = +3.000Ca+2 -4.000H+ +2.000B(OH)4- -2.000H2O - log_k +40.58 - delta_h -318.306 #kJ/mol -# Enthalpy of formation: -3429.266 kJ/mol - -analytic -15.18482E+0 00.00000E+0 16.62628E+3 00.00000E+0 00.00000E+0 +Ca3B2O6 = 3 Ca+2 - 4 H+ + 2 B(OH)4- - 2 H2O + log_k 40.58 + delta_h -318.306 #kJ/mol +# Enthalpy of formation: -3429.266 kJ/mol + -analytic -15.18482E+0 00E+0 16.62628E+3 00E+0 00E+0 Ca3ZrSi2O9(cr) -Ca3ZrSi2O9 = +3.000Ca+2 -10.000H+ +2.000H4(SiO4) +1.000Zr+4 +1.000H2O - log_k +47.87 - delta_h -416.718 #kJ/mol +Ca3ZrSi2O9 = 3 Ca+2 - 10 H+ + 2 H4(SiO4) + Zr+4 + H2O + log_k 47.87 + delta_h -416.718 #kJ/mol # Enthalpy of formation: -5029.000 kJ/mol 05BRO/CUR - -analytic -25.13586E+0 00.00000E+0 21.76670E+3 00.00000E+0 00.00000E+0 + -analytic -25.13586E+0 00E+0 21.7667E+3 00E+0 00E+0 Ca4Al2O6(CrO4):15H2O(s) -Ca4Al2O6(CrO4):15H2O = +4.000Ca+2 +2.000Al+3 -12.000H+ +1.000CrO4-2 +21.000H2O - log_k +71.36 #01PER/PAL - delta_h -545.980 #kJ/mol 01PER/PAL -# Enthalpy of formation: -9584.250 kJ/mol - -analytic -24.29159E+0 00.00000E+0 28.51852E+3 00.00000E+0 00.00000E+0 +Ca4Al2O6(CrO4):15H2O = 4 Ca+2 + 2 Al+3 - 12 H+ + CrO4-2 + 21 H2O + log_k 71.36 #01PER/PAL + delta_h -545.98 #kJ/mol 01PER/PAL +# Enthalpy of formation: -9584.250 kJ/mol + -analytic -24.29159E+0 00E+0 28.51852E+3 00E+0 00E+0 Ca4Cl2(OH)6:13H2O(s) -Ca4Cl2(OH)6:13H2O = +4.000Ca+2 -6.000H+ +2.000Cl- +19.000H2O - log_k +68.73 #84HAR/MOL - delta_h -271.930 #kJ/mol +Ca4Cl2(OH)6:13H2O = 4 Ca+2 - 6 H+ + 2 Cl- + 19 H2O + log_k 68.73 #84HAR/MOL + delta_h -271.93 #kJ/mol # Enthalpy of formation: -7665.000 kJ/mol 82WAG/EVA - -analytic 21.08991E+0 00.00000E+0 14.20389E+3 00.00000E+0 00.00000E+0 + -analytic 21.08991E+0 00E+0 14.20389E+3 00E+0 00E+0 Ca4H(PO4)3:2.5H2O(s) -Ca4H(PO4)3:2.5H2O = +4.000Ca+2 -5.000H+ +3.000H2(PO4)- +2.500H2O - log_k +11.81 #84NAN - -analytic 11.81000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ca4H(PO4)3:2.5H2O = 4 Ca+2 - 5 H+ + 3 H2(PO4)- + 2.5 H2O + log_k 11.81 #84NAN + -analytic 11.81E+0 00E+0 00E+0 00E+0 00E+0 Ca6(Al(OH)6)2(CrO4)3:26H2O(s) -Ca6(Al(OH)6)2(CrO4)3:26H2O = +6.000Ca+2 +2.000Al+3 -12.000H+ +3.000CrO4-2 +38.000H2O - log_k +60.28 #00PER/PAL - delta_h -509.590 #kJ/mol 00PER/PAL -# Enthalpy of formation: -17323.750kJ/mol - -analytic -28.99634E+0 00.00000E+0 26.61774E+3 00.00000E+0 00.00000E+0 +Ca6(Al(OH)6)2(CrO4)3:26H2O = 6 Ca+2 + 2 Al+3 - 12 H+ + 3 CrO4-2 + 38 H2O + log_k 60.28 #00PER/PAL + delta_h -509.59 #kJ/mol 00PER/PAL +# Enthalpy of formation: -17323.750kJ/mol + -analytic -28.99634E+0 00E+0 26.61774E+3 00E+0 00E+0 CaB2O4(s) -CaB2O4 = +1.000Ca+2 +2.000B(OH)4- -4.000H2O - log_k -2.18 - delta_h -58.894 #kJ/mol -# Enthalpy of formation: -2031.019 kJ/mol - -analytic -12.49779E+0 00.00000E+0 30.76248E+2 00.00000E+0 00.00000E+0 +CaB2O4 = Ca+2 + 2 B(OH)4- - 4 H2O + log_k -2.18 + delta_h -58.894 #kJ/mol +# Enthalpy of formation: -2031.019 kJ/mol + -analytic -12.49779E+0 00E+0 30.76248E+2 00E+0 00E+0 CaB4O7(s) -CaB4O7 = +1.000Ca+2 +2.000H+ +4.000B(OH)4- -9.000H2O - log_k -23.44 - delta_h +9.371 #kJ/mol -# Enthalpy of formation: -3360.367 kJ/mol - -analytic -21.79827E+0 00.00000E+0 -48.94814E+1 00.00000E+0 00.00000E+0 +CaB4O7 = Ca+2 + 2 H+ + 4 B(OH)4- - 9 H2O + log_k -23.44 + delta_h 9.371 #kJ/mol +# Enthalpy of formation: -3360.367 kJ/mol + -analytic -21.79827E+0 00E+0 -48.94814E+1 00E+0 00E+0 CaCl2:2H2O(cr) -CaCl2:2H2O = +1.000Ca+2 +2.000Cl- +2.000H2O - log_k +7.95 - delta_h -44.790 #kJ/mol +CaCl2:2H2O = Ca+2 + 2 Cl- + 2 H2O + log_k 7.95 + delta_h -44.79 #kJ/mol # Enthalpy of formation: -1404.030 kJ/mol 87GAR/PAR - -analytic 10.31288E-2 00.00000E+0 23.39545E+2 00.00000E+0 00.00000E+0 + -analytic 10.31288E-2 00E+0 23.39545E+2 00E+0 00E+0 CaCl2:4H2O(cr) -CaCl2:4H2O = +1.000Ca+2 +2.000Cl- +4.000H2O - log_k +5.35 - delta_h -11.310 #kJ/mol +CaCl2:4H2O = Ca+2 + 2 Cl- + 4 H2O + log_k 5.35 + delta_h -11.31 #kJ/mol # Enthalpy of formation: -2009.170 kJ/mol 87GAR/PAR - -analytic 33.68573E-1 00.00000E+0 59.07624E+1 00.00000E+0 00.00000E+0 + -analytic 33.68573E-1 00E+0 59.07624E+1 00E+0 00E+0 CaCl2:H2O(s) -CaCl2:H2O = +1.000Ca+2 +2.000Cl- +1.000H2O - log_k +7.85 - delta_h -52.160 #kJ/mol +CaCl2:H2O = Ca+2 + 2 Cl- + H2O + log_k 7.85 + delta_h -52.16 #kJ/mol # Enthalpy of formation: -1110.830 kJ/mol 87GAR/PAR - -analytic -12.88040E-1 00.00000E+0 27.24507E+2 00.00000E+0 00.00000E+0 + -analytic -12.8804E-1 00E+0 27.24507E+2 00E+0 00E+0 CaCO3:H2O(s) -CaCO3:H2O = +1.000Ca+2 +1.000CO3-2 +1.000H2O - log_k -7.60 #73HUL/TUR - delta_h -5.770 #kJ/mol +CaCO3:H2O = Ca+2 + CO3-2 + H2O + log_k -7.6 #73HUL/TUR + delta_h -5.77 #kJ/mol # Enthalpy of formation: -1498.290 kJ/mol 73HUL/TUR - -analytic -86.10861E-1 00.00000E+0 30.13881E+1 00.00000E+0 00.00000E+0 + -analytic -86.10861E-1 00E+0 30.13881E+1 00E+0 00E+0 CaCrO4(s) -CaCrO4 = +1.000Ca+2 +1.000CrO4-2 - log_k -3.15 #03DEA - delta_h -22.807 #kJ/mol -# Enthalpy of formation: -1399.193 kJ/mol - -analytic -71.45615E-1 00.00000E+0 11.91293E+2 00.00000E+0 00.00000E+0 +CaCrO4 = Ca+2 + CrO4-2 + log_k -3.15 #03DEA + delta_h -22.807 #kJ/mol +# Enthalpy of formation: -1399.193 kJ/mol + -analytic -71.45615E-1 00E+0 11.91293E+2 00E+0 00E+0 Cadmoselite -CdSe = +1.000Cd+2 -1.000H+ +1.000HSe- - log_k -18.68 - delta_h +81.480 #kJ/mol +CdSe = Cd+2 - H+ + HSe- + log_k -18.68 + delta_h 81.48 #kJ/mol # Enthalpy of formation: -143.100 kJ/mol 05OLI/NOL - -analytic -44.05317E-1 00.00000E+0 -42.55997E+2 00.00000E+0 00.00000E+0 + -analytic -44.05317E-1 00E+0 -42.55997E+2 00E+0 00E+0 CaF2:6H2O(s) -CaF2:6H2O = +1.000Ca+2 +2.000F- +6.000H2O - log_k -5.48 #96FAL/REA - -analytic -54.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +CaF2:6H2O = Ca+2 + 2 F- + 6 H2O + log_k -5.48 #96FAL/REA + -analytic -54.8E-1 00E+0 00E+0 00E+0 00E+0 CaFe2O4(s) -CaFe2O4 = +1.000Ca+2 +2.000Fe+3 -8.000H+ +4.000H2O - log_k +21.24 #79ROB - delta_h -263.980 #kJ/mol 79ROB -# Enthalpy of formation: -1522.452 kJ/mol - -analytic -25.00731E+0 00.00000E+0 13.78864E+3 00.00000E+0 00.00000E+0 +CaFe2O4 = Ca+2 + 2 Fe+3 - 8 H+ + 4 H2O + log_k 21.24 #79ROB + delta_h -263.98 #kJ/mol 79ROB +# Enthalpy of formation: -1522.452 kJ/mol + -analytic -25.00731E+0 00E+0 13.78864E+3 00E+0 00E+0 CaI2(s) -CaI2 = +1.000Ca+2 +2.000I- - log_k +22.50 #96FAL/REA - -analytic 22.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +CaI2 = Ca+2 + 2 I- + log_k 22.5 #96FAL/REA + -analytic 22.5E+0 00E+0 00E+0 00E+0 00E+0 Calcite -CaCO3 = +1.000Ca+2 +1.000CO3-2 - log_k -8.48 #82PLUM/BUS - delta_h -10.620 #kJ/mol 82PLUM/BUS -# Enthalpy of formation: -1207.610 kJ/mol - -analytic -10.34054E+0 00.00000E+0 55.47212E+1 00.00000E+0 00.00000E+0 - -Vm 36.930 +CaCO3 = Ca+2 + CO3-2 + log_k -8.48 #82PLUM/BUS + delta_h -10.62 #kJ/mol 82PLUM/BUS +# Enthalpy of formation: -1207.610 kJ/mol + -analytic -10.34054E+0 00E+0 55.47212E+1 00E+0 00E+0 + -Vm 36.93 CaMg3(CO3)4(s) -CaMg3(CO3)4 = +1.000Ca+2 +3.000Mg+2 +4.000CO3-2 - log_k -30.81 - delta_h -112.340 #kJ/mol +CaMg3(CO3)4 = Ca+2 + 3 Mg+2 + 4 CO3-2 + log_k -30.81 + delta_h -112.34 #kJ/mol # Enthalpy of formation: -4532.580 kJ/mol 73HEM/ROB - -analytic -50.49112E+0 00.00000E+0 58.67927E+2 00.00000E+0 00.00000E+0 + -analytic -50.49112E+0 00E+0 58.67927E+2 00E+0 00E+0 CaMoO4(s) -CaMoO4 = +1.000Ca+2 +1.000MoO4-2 - log_k -7.90 - delta_h +1.427 #kJ/mol -# Enthalpy of formation: -1541.427 kJ/mol - -analytic -76.50000E-1 00.00000E+0 -74.53740E+0 00.00000E+0 00.00000E+0 +CaMoO4 = Ca+2 + MoO4-2 + log_k -7.9 + delta_h 1.427 #kJ/mol +# Enthalpy of formation: -1541.427 kJ/mol + -analytic -76.5E-1 00E+0 -74.5374E+0 00E+0 00E+0 CaO(cr) -CaO = +1.000Ca+2 -2.000H+ +1.000H2O - log_k +32.70 - delta_h -193.910 #kJ/mol +CaO = Ca+2 - 2 H+ + H2O + log_k 32.7 + delta_h -193.91 #kJ/mol # Enthalpy of formation: -634.920 kJ/mol 89COX/WAG - -analytic -12.71574E-1 00.00000E+0 10.12862E+3 00.00000E+0 00.00000E+0 + -analytic -12.71574E-1 00E+0 10.12862E+3 00E+0 00E+0 Carnallite -KMgCl3:6H2O = +1.000Mg+2 +1.000K+ +3.000Cl- +6.000H2O - log_k +4.33 #84HAR/MOL - delta_h +9.339 #kJ/mol +KMgCl3:6H2O = Mg+2 + K+ + 3 Cl- + 6 H2O + log_k 4.33 #84HAR/MOL + delta_h 9.339 #kJ/mol # Enthalpy of formation: -2944.699 kJ/mol 74NAU/RYZ - -analytic 59.66123E-1 00.00000E+0 -48.78099E+1 00.00000E+0 00.00000E+0 + -analytic 59.66123E-1 00E+0 -48.78099E+1 00E+0 00E+0 CaSn(OH)6(s) -CaSn(OH)6 = +1.000Ca+2 +1.000Sn+4 -6.000H+ +6.000H2O - log_k -0.74 #Log Kº estimated as the mean value of data in 00LOT/OCH2 (uncertainty to include both values) recalculated using values of Sn(OH)6-2 selected in this work - -analytic -74.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +CaSn(OH)6 = Ca+2 + Sn+4 - 6 H+ + 6 H2O + log_k -0.74 #Log Kº estimated as the mean value of data in 00LOT/OCH2 (uncertainty to include both values) recalculated using values of Sn(OH)6-2 selected in this work + -analytic -74E-2 00E+0 00E+0 00E+0 00E+0 Cassiterite -SnO2 = +1.000Sn+4 -4.000H+ +2.000H2O - log_k -15.60 - delta_h -25.541 #kJ/mol +SnO2 = Sn+4 - 4 H+ + 2 H2O + log_k -15.6 + delta_h -25.541 #kJ/mol # Enthalpy of formation: -577.630 kJ/mol 12GAM/GAJ - -analytic -20.07459E+0 00.00000E+0 13.34099E+2 00.00000E+0 00.00000E+0 + -analytic -20.07459E+0 00E+0 13.34099E+2 00E+0 00E+0 Cattierite -CoS2 = +1.000Co+2 -2.000H+ -2.000e- +2.000HS- - log_k -19.98 - delta_h +60.700 #kJ/mol +CoS2 = Co+2 - 2 H+ - 2 e- + 2 HS- + log_k -19.98 + delta_h 60.7 #kJ/mol # Enthalpy of formation: -150.900 kJ/mol 95ROB/HEM - -analytic -93.45816E-1 00.00000E+0 -31.70582E+2 00.00000E+0 00.00000E+0 + -analytic -93.45816E-1 00E+0 -31.70582E+2 00E+0 00E+0 CaU2O7:3H2O(cr) -CaU2O7:3H2O = +1.000Ca+2 +2.000UO2+2 -6.000H+ +6.000H2O - log_k +23.40 #05ALT/NEC - -analytic 23.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +CaU2O7:3H2O = Ca+2 + 2 UO2+2 - 6 H+ + 6 H2O + log_k 23.4 #05ALT/NEC + -analytic 23.4E+0 00E+0 00E+0 00E+0 00E+0 Cd(CO3)(s) -Cd(CO3) = +1.000Cd+2 +1.000CO3-2 - log_k -12.10 #91RAI/FEL1 - delta_h +1.482 #kJ/mol -# Enthalpy of formation: -752.633 kJ/mol - -analytic -11.84036E+0 00.00000E+0 -77.41025E+0 00.00000E+0 00.00000E+0 +Cd(CO3) = Cd+2 + CO3-2 + log_k -12.1 #91RAI/FEL1 + delta_h 1.482 #kJ/mol +# Enthalpy of formation: -752.633 kJ/mol + -analytic -11.84036E+0 00E+0 -77.41025E+0 00E+0 00E+0 Cd(cr) -Cd = +1.000Cd+2 +2.000e- - log_k +13.62 - delta_h -75.920 #kJ/mol +Cd = Cd+2 + 2 e- + log_k 13.62 + delta_h -75.92 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic 31.93869E-2 00.00000E+0 39.65578E+2 00.00000E+0 00.00000E+0 + -analytic 31.93869E-2 00E+0 39.65578E+2 00E+0 00E+0 Cd(OH)2(s) -Cd(OH)2 = +1.000Cd+2 -2.000H+ +2.000H2O - log_k +13.86 #91RAI/FEL1 - delta_h -87.730 #kJ/mol -# Enthalpy of formation: -559.850 kJ/mol - -analytic -15.09636E-1 00.00000E+0 45.82457E+2 00.00000E+0 00.00000E+0 +Cd(OH)2 = Cd+2 - 2 H+ + 2 H2O + log_k 13.86 #91RAI/FEL1 + delta_h -87.73 #kJ/mol +# Enthalpy of formation: -559.850 kJ/mol + -analytic -15.09636E-1 00E+0 45.82457E+2 00E+0 00E+0 Cd(SO4)(cr) -Cd(SO4) = +1.000Cd+2 +1.000SO4-2 - log_k -0.16 - delta_h -51.980 #kJ/mol +Cd(SO4) = Cd+2 + SO4-2 + log_k -0.16 + delta_h -51.98 #kJ/mol # Enthalpy of formation: -933.280 kJ/mol 82WAG/EVA - -analytic -92.66505E-1 00.00000E+0 27.15104E+2 00.00000E+0 00.00000E+0 + -analytic -92.66505E-1 00E+0 27.15104E+2 00E+0 00E+0 Cd(SO4):2.67H2O(cr) -Cd(SO4):2.67H2O = +1.000Cd+2 +1.000SO4-2 +2.670H2O - log_k -1.55 - delta_h -20.126 #kJ/mol +Cd(SO4):2.67H2O = Cd+2 + SO4-2 + 2.67 H2O + log_k -1.55 + delta_h -20.126 #kJ/mol # Enthalpy of formation: -1728.300 kJ/mol 89COX/WAG - -analytic -50.75924E-1 00.00000E+0 10.51254E+2 00.00000E+0 00.00000E+0 + -analytic -50.75924E-1 00E+0 10.51254E+2 00E+0 00E+0 Cd3(AsO4)2(s) -Cd3(AsO4)2 = +3.000Cd+2 +2.000AsO4-3 - log_k -32.62 - -analytic -32.62000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Cd3(AsO4)2 = 3 Cd+2 + 2 AsO4-3 + log_k -32.62 + -analytic -32.62E+0 00E+0 00E+0 00E+0 00E+0 Cd3(PO4)2(s) -Cd3(PO4)2 = +3.000Cd+2 -4.000H+ +2.000H2(PO4)- - log_k +8.97 - delta_h -206.960 #kJ/mol +Cd3(PO4)2 = 3 Cd+2 - 4 H+ + 2 H2(PO4)- + log_k 8.97 + delta_h -206.96 #kJ/mol # Enthalpy of formation: -2626.000 kJ/mol 01BEN/JEM - -analytic -27.28784E+0 00.00000E+0 10.81027E+3 00.00000E+0 00.00000E+0 + -analytic -27.28784E+0 00E+0 10.81027E+3 00E+0 00E+0 Cd5(PO4)3Cl(cr) -Cd5(PO4)3Cl = +5.000Cd+2 -6.000H+ +1.000Cl- +3.000H2(PO4)- - log_k +12.67 - -analytic 12.67000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Cd5(PO4)3Cl = 5 Cd+2 - 6 H+ + Cl- + 3 H2(PO4)- + log_k 12.67 + -analytic 12.67E+0 00E+0 00E+0 00E+0 00E+0 Cd5(PO4)3OH(cr) -Cd5(PO4)3OH = +5.000Cd+2 -7.000H+ +3.000H2(PO4)- +1.000H2O - log_k +19.84 - -analytic 19.84000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Cd5(PO4)3OH = 5 Cd+2 - 7 H+ + 3 H2(PO4)- + H2O + log_k 19.84 + -analytic 19.84E+0 00E+0 00E+0 00E+0 00E+0 CdB2O4(s) -CdB2O4 = +1.000Cd+2 +2.000B(OH)4- -4.000H2O - log_k -8.64 #91BAL/NOR - -analytic -86.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +CdB2O4 = Cd+2 + 2 B(OH)4- - 4 H2O + log_k -8.64 #91BAL/NOR + -analytic -86.4E-1 00E+0 00E+0 00E+0 00E+0 CdCl2(s) -CdCl2 = +1.000Cd+2 +2.000Cl- - log_k -0.66 - delta_h -18.580 #kJ/mol +CdCl2 = Cd+2 + 2 Cl- + log_k -0.66 + delta_h -18.58 #kJ/mol # Enthalpy of formation: -391.500 kJ/mol 74NAU/RYZ - -analytic -39.15076E-1 00.00000E+0 97.05010E+1 00.00000E+0 00.00000E+0 + -analytic -39.15076E-1 00E+0 97.0501E+1 00E+0 00E+0 CdCl2:2.5H2O(s) -CdCl2:2.5H2O = +1.000Cd+2 +2.000Cl- +2.500H2O - log_k -1.90 - delta_h +7.285 #kJ/mol +CdCl2:2.5H2O = Cd+2 + 2 Cl- + 2.5 H2O + log_k -1.9 + delta_h 7.285 #kJ/mol # Enthalpy of formation: -1131.940 kJ/mol 82WAG/EVA - -analytic -62.37228E-2 00.00000E+0 -38.05221E+1 00.00000E+0 00.00000E+0 + -analytic -62.37228E-2 00E+0 -38.05221E+1 00E+0 00E+0 CdCl2:H2O(cr) -CdCl2:H2O = +1.000Cd+2 +2.000Cl- +1.000H2O - log_k -1.69 - delta_h -7.470 #kJ/mol +CdCl2:H2O = Cd+2 + 2 Cl- + H2O + log_k -1.69 + delta_h -7.47 #kJ/mol # Enthalpy of formation: -688.440 kJ/mol 82WAG/EVA - -analytic -29.98688E-1 00.00000E+0 39.01853E+1 00.00000E+0 00.00000E+0 + -analytic -29.98688E-1 00E+0 39.01853E+1 00E+0 00E+0 CdO(s) -CdO = +1.000Cd+2 -2.000H+ +1.000H2O - log_k +15.10 - delta_h -103.400 #kJ/mol +CdO = Cd+2 - 2 H+ + H2O + log_k 15.1 + delta_h -103.4 #kJ/mol # Enthalpy of formation: -258.350 kJ/mol 89COX/WAG - -analytic -30.14902E-1 00.00000E+0 54.00958E+2 00.00000E+0 00.00000E+0 + -analytic -30.14902E-1 00E+0 54.00958E+2 00E+0 00E+0 CdS(s) -CdS = +1.000Cd+2 -1.000H+ +1.000HS- - log_k -14.82 #99WAN/TES - delta_h +56.570 #kJ/mol +CdS = Cd+2 - H+ + HS- + log_k -14.82 #99WAN/TES + delta_h 56.57 #kJ/mol # Enthalpy of formation: -148.790 kJ/mol 06DEO/NAV - -analytic -49.09361E-1 00.00000E+0 -29.54857E+2 00.00000E+0 00.00000E+0 + -analytic -49.09361E-1 00E+0 -29.54857E+2 00E+0 00E+0 CdSiO3(cr) -CdSiO3 = +1.000Cd+2 -2.000H+ +1.000H4(SiO4) -1.000H2O - log_k +7.79 - delta_h -62.194 #kJ/mol +CdSiO3 = Cd+2 - 2 H+ + H4(SiO4) - H2O + log_k 7.79 + delta_h -62.194 #kJ/mol # Enthalpy of formation: -1189.090 kJ/mol 77BAR/KNA - -analytic -31.05921E-1 00.00000E+0 32.48619E+2 00.00000E+0 00.00000E+0 + -analytic -31.05921E-1 00E+0 32.48619E+2 00E+0 00E+0 Celadonite-Fe -KFeAlSi4O10(OH)2 = +1.000K+ +1.000Fe+2 +1.000Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k +6.45 - delta_h -104.161 #kJ/mol +KFeAlSi4O10(OH)2 = K+ + Fe+2 + Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 6.45 + delta_h -104.161 #kJ/mol # Enthalpy of formation: -5478.130 kJ/mol 02PAR/VID - -analytic -11.79822E+0 00.00000E+0 54.40708E+2 00.00000E+0 00.00000E+0 - -Vm 143.010 + -analytic -11.79822E+0 00E+0 54.40708E+2 00E+0 00E+0 + -Vm 143.01 Celadonite-Mg -KMgAlSi4O10(OH)2 = +1.000Mg+2 +1.000K+ +1.000Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k +10.20 - delta_h -124.256 #kJ/mol +KMgAlSi4O10(OH)2 = Mg+2 + K+ + Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 10.2 + delta_h -124.256 #kJ/mol # Enthalpy of formation: -5834.740 kJ/mol 02PAR/VID - -analytic -11.56872E+0 00.00000E+0 64.90343E+2 00.00000E+0 00.00000E+0 - -Vm 139.620 + -analytic -11.56872E+0 00E+0 64.90343E+2 00E+0 00E+0 + -Vm 139.62 Celestite -Sr(SO4) = +1.000Sr+2 +1.000SO4-2 - log_k -6.62 #06BLA/IGN - delta_h -2.451 #kJ/mol -# Enthalpy of formation: -1457.789 kJ/mol - -analytic -70.49397E-1 00.00000E+0 12.80246E+1 00.00000E+0 00.00000E+0 - -Vm 46.250 +Sr(SO4) = Sr+2 + SO4-2 + log_k -6.62 #06BLA/IGN + delta_h -2.451 #kJ/mol +# Enthalpy of formation: -1457.789 kJ/mol + -analytic -70.49397E-1 00E+0 12.80246E+1 00E+0 00E+0 + -Vm 46.25 Cerussite -Pb(CO3) = +1.000Pb+2 +1.000CO3-2 - log_k -13.29 - delta_h +27.425 #kJ/mol -# Enthalpy of formation: -701.735 kJ/mol - -analytic -84.85346E-1 00.00000E+0 -14.32508E+2 00.00000E+0 00.00000E+0 +Pb(CO3) = Pb+2 + CO3-2 + log_k -13.29 + delta_h 27.425 #kJ/mol +# Enthalpy of formation: -701.735 kJ/mol + -analytic -84.85346E-1 00E+0 -14.32508E+2 00E+0 00E+0 Chabazite -CaAl2Si4O12:6H2O = +1.000Ca+2 +2.000Al+3 -8.000H+ +4.000H4(SiO4) +2.000H2O - log_k +11.52 - delta_h -209.796 #kJ/mol +CaAl2Si4O12:6H2O = Ca+2 + 2 Al+3 - 8 H+ + 4 H4(SiO4) + 2 H2O + log_k 11.52 + delta_h -209.796 #kJ/mol # Enthalpy of formation: -7826.440 kJ/mol 09BLA - -analytic -25.23468E+0 00.00000E+0 10.95841E+3 00.00000E+0 00.00000E+0 - -Vm 251.160 + -analytic -25.23468E+0 00E+0 10.95841E+3 00E+0 00E+0 + -Vm 251.16 Chalcanthite -CuSO4:5H2O = +1.000Cu+2 +1.000SO4-2 +5.000H2O - log_k -2.69 - delta_h +6.108 #kJ/mol -# Enthalpy of formation: -2279.696 kJ/mol - -analytic -16.19924E-1 00.00000E+0 -31.90431E+1 00.00000E+0 00.00000E+0 +CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O + log_k -2.69 + delta_h 6.108 #kJ/mol +# Enthalpy of formation: -2279.696 kJ/mol + -analytic -16.19924E-1 00E+0 -31.90431E+1 00E+0 00E+0 Chalcocite -Cu2S = +2.000Cu+ -1.000H+ +1.000HS- - log_k -34.02 #94THO/HEL - delta_h +204.317 #kJ/mol -# Enthalpy of formation: -79.440 kJ/mol - -analytic 17.74802E-1 00.00000E+0 -10.67222E+3 00.00000E+0 00.00000E+0 +Cu2S = 2 Cu+ - H+ + HS- + log_k -34.02 #94THO/HEL + delta_h 204.317 #kJ/mol +# Enthalpy of formation: -79.440 kJ/mol + -analytic 17.74802E-1 00E+0 -10.67222E+3 00E+0 00E+0 Chalcocyanite -CuSO4 = +1.000Cu+2 +1.000SO4-2 - log_k +2.94 - delta_h -73.025 #kJ/mol -# Enthalpy of formation: -771.415 kJ/mol - -analytic -98.53431E-1 00.00000E+0 38.14361E+2 00.00000E+0 00.00000E+0 +CuSO4 = Cu+2 + SO4-2 + log_k 2.94 + delta_h -73.025 #kJ/mol +# Enthalpy of formation: -771.415 kJ/mol + -analytic -98.53431E-1 00E+0 38.14361E+2 00E+0 00E+0 Chamosite -Fe5Al2Si3O10(OH)8 = +5.000Fe+2 +2.000Al+3 -16.000H+ +3.000H4(SiO4) +6.000H2O - log_k +47.68 - delta_h -505.987 #kJ/mol +Fe5Al2Si3O10(OH)8 = 5 Fe+2 + 2 Al+3 - 16 H+ + 3 H4(SiO4) + 6 H2O + log_k 47.68 + delta_h -505.987 #kJ/mol # Enthalpy of formation: -7120.850 kJ/mol 05VID/PAR - -analytic -40.96512E+0 00.00000E+0 26.42954E+3 00.00000E+0 00.00000E+0 - -Vm 215.880 + -analytic -40.96512E+0 00E+0 26.42954E+3 00E+0 00E+0 + -Vm 215.88 Chloroapatite -Ca5Cl(PO4)3 = +5.000Ca+2 -6.000H+ +1.000Cl- +3.000H2(PO4)- - log_k +5.21 #68VAL/KOG - delta_h -132.541 #kJ/mol -# Enthalpy of formation: -6657.337 kJ/mol - -analytic -18.01019E+0 00.00000E+0 69.23099E+2 00.00000E+0 00.00000E+0 +Ca5Cl(PO4)3 = 5 Ca+2 - 6 H+ + Cl- + 3 H2(PO4)- + log_k 5.21 #68VAL/KOG + delta_h -132.541 #kJ/mol +# Enthalpy of formation: -6657.337 kJ/mol + -analytic -18.01019E+0 00E+0 69.23099E+2 00E+0 00E+0 Chromite -FeCr2O4 = +1.000Fe+2 -8.000H+ +2.000Cr+3 +4.000H2O - log_k +15.14 - delta_h -269.115 #kJ/mol +FeCr2O4 = Fe+2 - 8 H+ + 2 Cr+3 + 4 H2O + log_k 15.14 + delta_h -269.115 #kJ/mol # Enthalpy of formation: -1445.500 kJ/mol 95ROB/HEM - -analytic -32.00692E+0 00.00000E+0 14.05686E+3 00.00000E+0 00.00000E+0 + -analytic -32.00692E+0 00E+0 14.05686E+3 00E+0 00E+0 Chukanovite -Fe2(OH)2CO3 = +2.000Fe+2 -2.000H+ +1.000CO3-2 +2.000H2O - log_k +2.97 - -analytic 29.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Fe2(OH)2CO3 = 2 Fe+2 - 2 H+ + CO3-2 + 2 H2O + log_k 2.97 + -analytic 29.7E-1 00E+0 00E+0 00E+0 00E+0 Cinnabar -HgS = -1.000H+ +1.000HS- +1.000Hg+2 - log_k -39.18 - delta_h +208.210 #kJ/mol +HgS = - H+ + HS- + Hg+2 + log_k -39.18 + delta_h 208.21 #kJ/mol # Enthalpy of formation: -54.300 kJ/mol 95ROB/HEM - -analytic -27.03174E-1 00.00000E+0 -10.87557E+3 00.00000E+0 00.00000E+0 + -analytic -27.03174E-1 00E+0 -10.87557E+3 00E+0 00E+0 Clarkeite -Na(UO2)O(OH) = +1.000Na+ +1.000UO2+2 -3.000H+ +2.000H2O - log_k +9.40 #08GOR/FEI - delta_h -106.300 #kJ/mol +Na(UO2)O(OH) = Na+ + UO2+2 - 3 H+ + 2 H2O + log_k 9.4 #08GOR/FEI + delta_h -106.3 #kJ/mol # Enthalpy of formation: -1724.700 kJ/mol 06KUB/HEL - -analytic -92.22961E-1 00.00000E+0 55.52436E+2 00.00000E+0 00.00000E+0 + -analytic -92.22961E-1 00E+0 55.52436E+2 00E+0 00E+0 Claudetite -As2O3 = -3.000H2O +2.000H3(AsO3) - log_k -1.46 - delta_h +28.238 #kJ/mol -# Enthalpy of formation: -655.150 kJ/mol - -analytic 34.87085E-1 00.00000E+0 -14.74973E+2 00.00000E+0 00.00000E+0 +As2O3 = -3 H2O + 2 H3(AsO3) + log_k -1.46 + delta_h 28.238 #kJ/mol +# Enthalpy of formation: -655.150 kJ/mol + -analytic 34.87085E-1 00E+0 -14.74973E+2 00E+0 00E+0 Clausthalite -PbSe = +1.000Pb+2 -1.000H+ +1.000HSe- - log_k -20.53 - delta_h +113.720 #kJ/mol +PbSe = Pb+2 - H+ + HSe- + log_k -20.53 + delta_h 113.72 #kJ/mol # Enthalpy of formation: -98.500 kJ/mol 05OLI/NOL - -analytic -60.71112E-2 00.00000E+0 -59.40009E+2 00.00000E+0 00.00000E+0 + -analytic -60.71112E-2 00E+0 -59.40009E+2 00E+0 00E+0 Clinochlore -Mg5Al2Si3O10(OH)8 = +5.000Mg+2 +2.000Al+3 -16.000H+ +3.000H4(SiO4) +6.000H2O - log_k +61.68 - delta_h -600.772 #kJ/mol +Mg5Al2Si3O10(OH)8 = 5 Mg+2 + 2 Al+3 - 16 H+ + 3 H4(SiO4) + 6 H2O + log_k 61.68 + delta_h -600.772 #kJ/mol # Enthalpy of formation: -8909.590 kJ/mol 05VID/PAR - -analytic -43.57074E+0 00.00000E+0 31.38051E+3 00.00000E+0 00.00000E+0 - -Vm 211.470 + -analytic -43.57074E+0 00E+0 31.38051E+3 00E+0 00E+0 + -Vm 211.47 Clinoptilolite_Ca -Ca0.55(Si4.9Al1.1)O12:3.9H2O = +0.550Ca+2 +1.100Al+3 -4.400H+ +4.900H4(SiO4) -3.700H2O - log_k -2.35 #09BLA - delta_h -68.491 #kJ/mol -# Enthalpy of formation: -6924.681 kJ/mol - -analytic -14.34911E+0 00.00000E+0 35.77534E+2 00.00000E+0 00.00000E+0 - -Vm 209.660 +Ca0.55(Si4.9Al1.1)O12:3.9H2O = 0.55 Ca+2 + 1.1 Al+3 - 4.4 H+ + 4.9 H4(SiO4) - 3.7 H2O + log_k -2.35 #09BLA + delta_h -68.491 #kJ/mol +# Enthalpy of formation: -6924.681 kJ/mol + -analytic -14.34911E+0 00E+0 35.77534E+2 00E+0 00E+0 + -Vm 209.66 Clinoptilolite_K -K1.1(Si4.9Al1.1)O12:2.7H2O = +1.100K+ +1.100Al+3 -4.400H+ +4.900H4(SiO4) -4.900H2O - log_k -1.23 #09BLA - delta_h -60.121 #kJ/mol -# Enthalpy of formation: -6568.760 kJ/mol - -analytic -11.76275E+0 00.00000E+0 31.40339E+2 00.00000E+0 00.00000E+0 - -Vm 210.730 +K1.1(Si4.9Al1.1)O12:2.7H2O = 1.1 K+ + 1.1 Al+3 - 4.4 H+ + 4.9 H4(SiO4) - 4.9 H2O + log_k -1.23 #09BLA + delta_h -60.121 #kJ/mol +# Enthalpy of formation: -6568.760 kJ/mol + -analytic -11.76275E+0 00E+0 31.40339E+2 00E+0 00E+0 + -Vm 210.73 Clinoptilolite_Na -Na1.1(Si4.9Al1.1)O12:3.5H2O = +1.100Na+ +1.100Al+3 -4.400H+ +4.900H4(SiO4) -4.100H2O - log_k -0.09 #09BLA - delta_h -62.460 #kJ/mol -# Enthalpy of formation: -6782.105 kJ/mol - -analytic -11.03252E+0 00.00000E+0 32.62513E+2 00.00000E+0 00.00000E+0 - -Vm 214.780 +Na1.1(Si4.9Al1.1)O12:3.5H2O = 1.1 Na+ + 1.1 Al+3 - 4.4 H+ + 4.9 H4(SiO4) - 4.1 H2O + log_k -0.09 #09BLA + delta_h -62.46 #kJ/mol +# Enthalpy of formation: -6782.105 kJ/mol + -analytic -11.03252E+0 00E+0 32.62513E+2 00E+0 00E+0 + -Vm 214.78 Cm(cr) -Cm = +3.000e- +1.000Cm+3 - log_k +104.31 - delta_h -615.000 #kJ/mol +Cm = 3 e- + Cm+3 + log_k 104.31 + delta_h -615 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 01KON2 - -analytic -34.33375E-1 00.00000E+0 32.12369E+3 00.00000E+0 00.00000E+0 + -analytic -34.33375E-1 00E+0 32.12369E+3 00E+0 00E+0 Cm(OH)3(am) -Cm(OH)3 = -3.000H+ +1.000Cm+3 +3.000H2O - log_k +17.80 #Estimated by correlation with An(III) in function of ionic radii. - -analytic 17.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Cm(OH)3 = -3 H+ + Cm+3 + 3 H2O + log_k 17.8 #Estimated by correlation with An(III) in function of ionic radii. + -analytic 17.8E+0 00E+0 00E+0 00E+0 00E+0 Cm(OH)3(cr) -Cm(OH)3 = -3.000H+ +1.000Cm+3 +3.000H2O - log_k +15.67 #estimated from ionic radii - -analytic 15.67000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Cm(OH)3 = -3 H+ + Cm+3 + 3 H2O + log_k 15.67 #estimated from ionic radii + -analytic 15.67E+0 00E+0 00E+0 00E+0 00E+0 Cm(PO4):0.5H2O(am) -Cm(PO4):0.5H2O = -2.000H+ +1.000H2(PO4)- +1.000Cm+3 +0.500H2O - log_k -4.97 #estimated by correlation with Ln(III) - -analytic -49.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Cm(PO4):0.5H2O = -2 H+ + H2(PO4)- + Cm+3 + 0.5 H2O + log_k -4.97 #estimated by correlation with Ln(III) + -analytic -49.7E-1 00E+0 00E+0 00E+0 00E+0 Cm2(CO3)3(s) -Cm2(CO3)3 = +3.000CO3-2 +2.000Cm+3 - log_k -34.30 #Estimated by correlation with An(III). - -analytic -34.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Cm2(CO3)3 = 3 CO3-2 + 2 Cm+3 + log_k -34.3 #Estimated by correlation with An(III). + -analytic -34.3E+0 00E+0 00E+0 00E+0 00E+0 Cm2O3(cr) -Cm2O3 = -6.000H+ +2.000Cm+3 +3.000H2O - log_k +52.97 - delta_h -403.490 #kJ/mol +Cm2O3 = -6 H+ + 2 Cm+3 + 3 H2O + log_k 52.97 + delta_h -403.49 #kJ/mol # Enthalpy of formation: -1684.000 kJ/mol 01KON2 - -analytic -17.71841E+0 00.00000E+0 21.07575E+3 00.00000E+0 00.00000E+0 + -analytic -17.71841E+0 00E+0 21.07575E+3 00E+0 00E+0 CmCl3(cr) -CmCl3 = +3.000Cl- +1.000Cm+3 - log_k +15.07 - delta_h -141.840 #kJ/mol +CmCl3 = 3 Cl- + Cm+3 + log_k 15.07 + delta_h -141.84 #kJ/mol # Enthalpy of formation: -974.400 kJ/mol 85BAR/PAR - -analytic -97.79301E-1 00.00000E+0 74.08819E+2 00.00000E+0 00.00000E+0 + -analytic -97.79301E-1 00E+0 74.08819E+2 00E+0 00E+0 CmCO3OH(cr) -Cm(CO3)(OH) = -1.000H+ +1.000CO3-2 +1.000Cm+3 +1.000H2O - log_k -10.34 #Estimation. Correlation with An(III). - -analytic -10.34000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Cm(CO3)(OH) = - H+ + CO3-2 + Cm+3 + H2O + log_k -10.34 #Estimation. Correlation with An(III). + -analytic -10.34E+0 00E+0 00E+0 00E+0 00E+0 CmCO3OH(s) -CmOHCO3 = -1.000H+ +1.000CO3-2 +1.000Cm+3 +1.000H2O - log_k -6.15 #Estimated using the data for AmCO3OH(s). - -analytic -61.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +CmOHCO3 = - H+ + CO3-2 + Cm+3 + H2O + log_k -6.15 #Estimated using the data for AmCO3OH(s). + -analytic -61.5E-1 00E+0 00E+0 00E+0 00E+0 CmCO3OH:0.5H2O(s) -Cm(CO3)(OH):0.5H2O = -1.000H+ +1.000CO3-2 +1.000Cm+3 +1.500H2O - log_k -7.72 #Estimated by correlation with An(III) in function of ionic radii. - -analytic -77.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Cm(CO3)(OH):0.5H2O = - H+ + CO3-2 + Cm+3 + 1.5 H2O + log_k -7.72 #Estimated by correlation with An(III) in function of ionic radii. + -analytic -77.2E-1 00E+0 00E+0 00E+0 00E+0 CmF3(cr) -CmF3 = +3.000F- +1.000Cm+3 - log_k -13.16 - delta_h -32.036 #kJ/mol +CmF3 = 3 F- + Cm+3 + log_k -13.16 + delta_h -32.036 #kJ/mol # Enthalpy of formation: -1589.014 kJ/mol estimated by 97SVE/SHO equation - -analytic -18.77247E+0 00.00000E+0 16.73357E+2 00.00000E+0 00.00000E+0 + -analytic -18.77247E+0 00E+0 16.73357E+2 00E+0 00E+0 CmOCl(cr) -CmOCl = -2.000H+ +1.000Cl- +1.000Cm+3 +1.000H2O - log_k +9.49 - delta_h -104.710 #kJ/mol +CmOCl = -2 H+ + Cl- + Cm+3 + H2O + log_k 9.49 + delta_h -104.71 #kJ/mol # Enthalpy of formation: -963.200 kJ/mol 85BAR/PAR - -analytic -88.54405E-1 00.00000E+0 54.69384E+2 00.00000E+0 00.00000E+0 + -analytic -88.54405E-1 00E+0 54.69384E+2 00E+0 00E+0 Co(cr) -Co = +1.000Co+2 +2.000e- - log_k +9.74 - delta_h -57.600 #kJ/mol +Co = Co+2 + 2 e- + log_k 9.74 + delta_h -57.6 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 87FER - -analytic -35.10868E-2 00.00000E+0 30.08658E+2 00.00000E+0 00.00000E+0 + -analytic -35.10868E-2 00E+0 30.08658E+2 00E+0 00E+0 Co(FeO2)2(alpha) -Co(FeO2)2 = +2.000Fe+3 +1.000Co+2 -8.000H+ +4.000H2O - log_k +0.73 - delta_h -161.312 #kJ/mol +Co(FeO2)2 = 2 Fe+3 + Co+2 - 8 H+ + 4 H2O + log_k 0.73 + delta_h -161.312 #kJ/mol # Enthalpy of formation: -1139.720 kJ/mol 74NAU/RYZ - -analytic -27.53065E+0 00.00000E+0 84.25913E+2 00.00000E+0 00.00000E+0 + -analytic -27.53065E+0 00E+0 84.25913E+2 00E+0 00E+0 Co(OH)2(s,blue) -Co(OH)2 = +1.000Co+2 -2.000H+ +2.000H2O - log_k +13.80 #98PLY/ZHA1; Uncertainty by analogy with Co(OH)2(s,rose1). - -analytic 13.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Co(OH)2 = Co+2 - 2 H+ + 2 H2O + log_k 13.8 #98PLY/ZHA1; Uncertainty by analogy with Co(OH)2(s,rose1). + -analytic 13.8E+0 00E+0 00E+0 00E+0 00E+0 Co(OH)2(s,rose1) -Co(OH)2 = +1.000Co+2 -2.000H+ +2.000H2O - log_k +12.20 #98PLY/ZHA1 - delta_h -88.460 #kJ/mol +Co(OH)2 = Co+2 - 2 H+ + 2 H2O + log_k 12.2 #98PLY/ZHA1 + delta_h -88.46 #kJ/mol # Enthalpy of formation: -540.800 kJ/mol 98PLY/ZHA1 - -analytic -32.97527E-1 00.00000E+0 46.20588E+2 00.00000E+0 00.00000E+0 + -analytic -32.97527E-1 00E+0 46.20588E+2 00E+0 00E+0 Co(OH)2(s,rose2) -Co(OH)2 = +1.000Co+2 -2.000H+ +2.000H2O - log_k +13.20 #98PLY/ZHA1; Uncertainty by analogy with Co(OH)2(s,rose1). - delta_h -93.560 #kJ/mol +Co(OH)2 = Co+2 - 2 H+ + 2 H2O + log_k 13.2 #98PLY/ZHA1; Uncertainty by analogy with Co(OH)2(s,rose1). + delta_h -93.56 #kJ/mol # Enthalpy of formation: -535.700 kJ/mol 98PLY/ZHA1 - -analytic -31.91008E-1 00.00000E+0 48.86979E+2 00.00000E+0 00.00000E+0 + -analytic -31.91008E-1 00E+0 48.86979E+2 00E+0 00E+0 Co(SeO3):2H2O(s) -Co(SeO3):2H2O = +1.000Co+2 +1.000SeO3-2 +2.000H2O - log_k -7.90 #05OLI/NOL - delta_h -20.860 #kJ/mol +Co(SeO3):2H2O = Co+2 + SeO3-2 + 2 H2O + log_k -7.9 #05OLI/NOL + delta_h -20.86 #kJ/mol # Enthalpy of formation: -1115.560 kJ/mol 05OLI/NOL - -analytic -11.55452E+0 00.00000E+0 10.89594E+2 00.00000E+0 00.00000E+0 + -analytic -11.55452E+0 00E+0 10.89594E+2 00E+0 00E+0 Co(SeO4):6H2O(s) -Co(SeO4):6H2O = +1.000Co+2 +1.000SeO4-2 +6.000H2O - log_k -1.76 #05OLI/NOL - delta_h -3.400 #kJ/mol -# Enthalpy of formation: -2372.678 kJ/mol - -analytic -23.55654E-1 00.00000E+0 17.75944E+1 00.00000E+0 00.00000E+0 +Co(SeO4):6H2O = Co+2 + SeO4-2 + 6 H2O + log_k -1.76 #05OLI/NOL + delta_h -3.4 #kJ/mol +# Enthalpy of formation: -2372.678 kJ/mol + -analytic -23.55654E-1 00E+0 17.75944E+1 00E+0 00E+0 Co0.84Se(cr) -Co0.84Se = +0.840Co+2 -1.000H+ -0.320e- +1.000HSe- - log_k -9.30 - delta_h +21.316 #kJ/mol +Co0.84Se = 0.84 Co+2 - H+ - 0.32 e- + HSe- + log_k -9.3 + delta_h 21.316 #kJ/mol # Enthalpy of formation: -55.400 kJ/mol 05OLI/NOL - -analytic -55.65597E-1 00.00000E+0 -11.13412E+2 00.00000E+0 00.00000E+0 + -analytic -55.65597E-1 00E+0 -11.13412E+2 00E+0 00E+0 Co2SiO4(s) -Co2SiO4 = +2.000Co+2 -4.000H+ +1.000H4(SiO4) - log_k +7.35 - delta_h -99.394 #kJ/mol +Co2SiO4 = 2 Co+2 - 4 H+ + H4(SiO4) + log_k 7.35 + delta_h -99.394 #kJ/mol # Enthalpy of formation: -1477.000 kJ/mol 82WAG/EVA - -analytic -10.06308E+0 00.00000E+0 51.91710E+2 00.00000E+0 00.00000E+0 + -analytic -10.06308E+0 00E+0 51.9171E+2 00E+0 00E+0 Co3(AsO4)2(s) -Co3(AsO4)2 = +3.000Co+2 +2.000AsO4-3 - log_k -27.56 - -analytic -27.56000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Co3(AsO4)2 = 3 Co+2 + 2 AsO4-3 + log_k -27.56 + -analytic -27.56E+0 00E+0 00E+0 00E+0 00E+0 Co3(PO4)2(s) -Co3(PO4)2 = +3.000Co+2 -4.000H+ +2.000H2(PO4)- - log_k +4.36 #84VIE/TAR - -analytic 43.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Co3(PO4)2 = 3 Co+2 - 4 H+ + 2 H2(PO4)- + log_k 4.36 #84VIE/TAR + -analytic 43.6E-1 00E+0 00E+0 00E+0 00E+0 Co3O4(s) -Co3O4 = +3.000Co+2 -8.000H+ -2.000e- +4.000H2O - log_k +54.86 - delta_h -397.320 #kJ/mol +Co3O4 = 3 Co+2 - 8 H+ - 2 e- + 4 H2O + log_k 54.86 + delta_h -397.32 #kJ/mol # Enthalpy of formation: -918.800 kJ/mol 95ROB/HEM - -analytic -14.74748E+0 00.00000E+0 20.75347E+3 00.00000E+0 00.00000E+0 + -analytic -14.74748E+0 00E+0 20.75347E+3 00E+0 00E+0 CoCl2(s) -CoCl2 = +1.000Co+2 +2.000Cl- - log_k +8.47 - delta_h -79.220 #kJ/mol +CoCl2 = Co+2 + 2 Cl- + log_k 8.47 + delta_h -79.22 #kJ/mol # Enthalpy of formation: -312.540 kJ/mol 98CHA - -analytic -54.08748E-1 00.00000E+0 41.37949E+2 00.00000E+0 00.00000E+0 + -analytic -54.08748E-1 00E+0 41.37949E+2 00E+0 00E+0 CoCl2:6H2O(s) -CoCl2:6H2O = +1.000Co+2 +2.000Cl- +6.000H2O - log_k +2.54 #97MAR/SMI - delta_h +8.060 #kJ/mol 97MAR/SMI -# Enthalpy of formation: -2114.800 kJ/mol - -analytic 39.52051E-1 00.00000E+0 -42.10031E+1 00.00000E+0 00.00000E+0 +CoCl2:6H2O = Co+2 + 2 Cl- + 6 H2O + log_k 2.54 #97MAR/SMI + delta_h 8.06 #kJ/mol 97MAR/SMI +# Enthalpy of formation: -2114.800 kJ/mol + -analytic 39.52051E-1 00E+0 -42.10031E+1 00E+0 00E+0 CoF2(s) -CoF2 = +1.000Co+2 +2.000F- - log_k -1.39 - delta_h -56.770 #kJ/mol +CoF2 = Co+2 + 2 F- + log_k -1.39 + delta_h -56.77 #kJ/mol # Enthalpy of formation: -671.530 kJ/mol 98CHA - -analytic -11.33568E+0 00.00000E+0 29.65304E+2 00.00000E+0 00.00000E+0 + -analytic -11.33568E+0 00E+0 29.65304E+2 00E+0 00E+0 Coffinite -U(SiO4) = +1.000U+4 -4.000H+ +1.000H4(SiO4) - log_k -4.47 - delta_h -78.577 #kJ/mol -# Enthalpy of formation: -1973.817 kJ/mol - -analytic -18.23610E+0 00.00000E+0 41.04363E+2 00.00000E+0 00.00000E+0 +U(SiO4) = U+4 - 4 H+ + H4(SiO4) + log_k -4.47 + delta_h -78.577 #kJ/mol +# Enthalpy of formation: -1973.817 kJ/mol + -analytic -18.2361E+0 00E+0 41.04363E+2 00E+0 00E+0 CoHPO4(s) -CoHPO4 = +1.000Co+2 -1.000H+ +1.000H2(PO4)- - log_k +0.49 #84VIE/TAR - -analytic 49.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +CoHPO4 = Co+2 - H+ + H2(PO4)- + log_k 0.49 #84VIE/TAR + -analytic 49E-2 00E+0 00E+0 00E+0 00E+0 Compreignacite -K2(UO2)6O4(OH)6:7H2O = +2.000K+ +6.000UO2+2 -14.000H+ +17.000H2O - log_k +35.80 #08GOR/FEI - -analytic 35.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +K2(UO2)6O4(OH)6:7H2O = 2 K+ + 6 UO2+2 - 14 H+ + 17 H2O + log_k 35.8 #08GOR/FEI + -analytic 35.8E+0 00E+0 00E+0 00E+0 00E+0 CoO(s) -CoO = +1.000Co+2 -2.000H+ +1.000H2O - log_k +13.77 - delta_h -105.530 #kJ/mol +CoO = Co+2 - 2 H+ + H2O + log_k 13.77 + delta_h -105.53 #kJ/mol # Enthalpy of formation: -237.900 kJ/mol 95ROB/HEM - -analytic -47.18062E-1 00.00000E+0 55.12216E+2 00.00000E+0 00.00000E+0 + -analytic -47.18062E-1 00E+0 55.12216E+2 00E+0 00E+0 Corundum -Al2O3 = +2.000Al+3 -6.000H+ +3.000H2O - log_k +18.30 - delta_h -258.590 #kJ/mol +Al2O3 = 2 Al+3 - 6 H+ + 3 H2O + log_k 18.3 + delta_h -258.59 #kJ/mol # Enthalpy of formation: -1675.700 kJ/mol 89COX/WAG - -analytic -27.00302E+0 00.00000E+0 13.50710E+3 00.00000E+0 00.00000E+0 + -analytic -27.00302E+0 00E+0 13.5071E+3 00E+0 00E+0 CoS(alpha) -CoS = +1.000Co+2 -1.000H+ +1.000HS- - log_k -7.44 #90DYR/KRE - delta_h +11.836 #kJ/mol -# Enthalpy of formation: -85.735 kJ/mol - -analytic -53.66422E-1 00.00000E+0 -61.82373E+1 00.00000E+0 00.00000E+0 +CoS = Co+2 - H+ + HS- + log_k -7.44 #90DYR/KRE + delta_h 11.836 #kJ/mol +# Enthalpy of formation: -85.735 kJ/mol + -analytic -53.66422E-1 00E+0 -61.82373E+1 00E+0 00E+0 CoS(beta) -CoS = +1.000Co+2 -1.000H+ +1.000HS- - log_k -11.07 #90DYR/KRE - -analytic -11.07000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +CoS = Co+2 - H+ + HS- + log_k -11.07 #90DYR/KRE + -analytic -11.07E+0 00E+0 00E+0 00E+0 00E+0 CoSe2(cr) -CoSe2 = +1.000Co+2 -2.000H+ -2.000e- +2.000HSe- - log_k -23.09 - delta_h +76.500 #kJ/mol +CoSe2 = Co+2 - 2 H+ - 2 e- + 2 HSe- + log_k -23.09 + delta_h 76.5 #kJ/mol # Enthalpy of formation: -105.500 kJ/mol 05OLI/NOL - -analytic -96.87775E-1 00.00000E+0 -39.95873E+2 00.00000E+0 00.00000E+0 + -analytic -96.87775E-1 00E+0 -39.95873E+2 00E+0 00E+0 CoSO4(s) -CoSO4 = +1.000Co+2 +1.000SO4-2 - log_k +3.01 - delta_h -78.680 #kJ/mol +CoSO4 = Co+2 + SO4-2 + log_k 3.01 + delta_h -78.68 #kJ/mol # Enthalpy of formation: -888.260 kJ/mol 98CHA - -analytic -10.77414E+0 00.00000E+0 41.09743E+2 00.00000E+0 00.00000E+0 + -analytic -10.77414E+0 00E+0 41.09743E+2 00E+0 00E+0 CoSO4:6H2O(s) -CoSO4:6H2O = +1.000Co+2 +1.000SO4-2 +6.000H2O - log_k -2.20 - delta_h +1.570 #kJ/mol +CoSO4:6H2O = Co+2 + SO4-2 + 6 H2O + log_k -2.2 + delta_h 1.57 #kJ/mol # Enthalpy of formation: -2683.490 kJ/mol 74NAU/RYZ - -analytic -19.24948E-1 00.00000E+0 -82.00681E+0 00.00000E+0 00.00000E+0 + -analytic -19.24948E-1 00E+0 -82.00681E+0 00E+0 00E+0 CoSO4:H2O(s) -CoSO4:H2O = +1.000Co+2 +1.000SO4-2 +1.000H2O - log_k -1.05 - delta_h -52.050 #kJ/mol +CoSO4:H2O = Co+2 + SO4-2 + H2O + log_k -1.05 + delta_h -52.05 #kJ/mol # Enthalpy of formation: -1200.720 kJ/mol 74NAU/RYZ - -analytic -10.16877E+0 00.00000E+0 27.18761E+2 00.00000E+0 00.00000E+0 + -analytic -10.16877E+0 00E+0 27.18761E+2 00E+0 00E+0 Cotunnite -PbCl2 = +1.000Pb+2 +2.000Cl- - log_k -4.81 - delta_h +26.160 #kJ/mol +PbCl2 = Pb+2 + 2 Cl- + log_k -4.81 + delta_h 26.16 #kJ/mol # Enthalpy of formation: -359.400 kJ/mol 98CHA - -analytic -22.69647E-2 00.00000E+0 -13.66432E+2 00.00000E+0 00.00000E+0 + -analytic -22.69647E-2 00E+0 -13.66432E+2 00E+0 00E+0 Covellite -CuS = +1.000Cu+2 -1.000H+ +1.000HS- - log_k -22.06 #94THO/HEL - delta_h +97.475 #kJ/mol -# Enthalpy of formation: -48.875 kJ/mol - -analytic -49.83113E-1 00.00000E+0 -50.91474E+2 00.00000E+0 00.00000E+0 +CuS = Cu+2 - H+ + HS- + log_k -22.06 #94THO/HEL + delta_h 97.475 #kJ/mol +# Enthalpy of formation: -48.875 kJ/mol + -analytic -49.83113E-1 00E+0 -50.91474E+2 00E+0 00E+0 Cr(cr) -Cr = +8.000H+ +6.000e- +1.000CrO4-2 -4.000H2O - log_k -39.31 - delta_h +264.320 #kJ/mol +Cr = 8 H+ + 6 e- + CrO4-2 - 4 H2O + log_k -39.31 + delta_h 264.32 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 98CHA, 04CHI - -analytic 69.96876E-1 00.00000E+0 -13.80640E+3 00.00000E+0 00.00000E+0 + -analytic 69.96876E-1 00E+0 -13.8064E+3 00E+0 00E+0 Cr(OH)2(cr) -Cr(OH)2 = -2.000H+ +1.000Cr+2 +2.000H2O - log_k +11.00 #41HUM/STO, 04CHI - delta_h -75.459 #kJ/mol -# Enthalpy of formation: -653.814 kJ/mol - -analytic -22.19849E-1 00.00000E+0 39.41498E+2 00.00000E+0 00.00000E+0 +Cr(OH)2 = -2 H+ + Cr+2 + 2 H2O + log_k 11 #41HUM/STO, 04CHI + delta_h -75.459 #kJ/mol +# Enthalpy of formation: -653.814 kJ/mol + -analytic -22.19849E-1 00E+0 39.41498E+2 00E+0 00E+0 Cr(OH)2(H2PO4)(s) -Cr(OH)2(H2PO4) = -2.000H+ +1.000H2(PO4)- +1.000Cr+3 +2.000H2O - log_k +0.89 #04RAI/MOO - -analytic 89.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Cr(OH)2(H2PO4) = -2 H+ + H2(PO4)- + Cr+3 + 2 H2O + log_k 0.89 #04RAI/MOO + -analytic 89E-2 00E+0 00E+0 00E+0 00E+0 Cr(OH)3(cr) -Cr(OH)3 = -3.000H+ +1.000Cr+3 +3.000H2O - log_k +7.50 #04RAI/MOO - delta_h -104.751 #kJ/mol -# Enthalpy of formation: -993.239 kJ/mol - -analytic -10.85159E+0 00.00000E+0 54.71526E+2 00.00000E+0 00.00000E+0 +Cr(OH)3 = -3 H+ + Cr+3 + 3 H2O + log_k 7.5 #04RAI/MOO + delta_h -104.751 #kJ/mol +# Enthalpy of formation: -993.239 kJ/mol + -analytic -10.85159E+0 00E+0 54.71526E+2 00E+0 00E+0 Cr2(SO4)3(s) -Cr2(SO4)3 = +3.000SO4-2 +2.000Cr+3 - log_k +4.38 - delta_h -277.720 #kJ/mol +Cr2(SO4)3 = 3 SO4-2 + 2 Cr+3 + log_k 4.38 + delta_h -277.72 #kJ/mol # Enthalpy of formation: -2931.300 kJ/mol 91KNA/KUB - -analytic -44.27446E+0 00.00000E+0 14.50633E+3 00.00000E+0 00.00000E+0 + -analytic -44.27446E+0 00E+0 14.50633E+3 00E+0 00E+0 Cr2O3(cr) -Cr2O3 = -6.000H+ +2.000Cr+3 +3.000H2O - log_k +7.75 - delta_h -197.990 #kJ/mol +Cr2O3 = -6 H+ + 2 Cr+3 + 3 H2O + log_k 7.75 + delta_h -197.99 #kJ/mol # Enthalpy of formation: -1140.500 kJ/mol 04CHI - -analytic -26.93636E+0 00.00000E+0 10.34174E+3 00.00000E+0 00.00000E+0 + -analytic -26.93636E+0 00E+0 10.34174E+3 00E+0 00E+0 Cr2S3(s) -Cr2S3 = -3.000H+ +3.000HS- +2.000Cr+3 - log_k +3.26 - delta_h -195.200 #kJ/mol +Cr2S3 = -3 H+ + 3 HS- + 2 Cr+3 + log_k 3.26 + delta_h -195.2 #kJ/mol # Enthalpy of formation: -334.700 kJ/mol 84PAN - -analytic -30.93757E+0 00.00000E+0 10.19601E+3 00.00000E+0 00.00000E+0 + -analytic -30.93757E+0 00E+0 10.19601E+3 00E+0 00E+0 CrCl2(cr) -CrCl2 = +2.000Cl- +1.000Cr+2 - log_k +12.73 - delta_h -103.474 #kJ/mol +CrCl2 = 2 Cl- + Cr+2 + log_k 12.73 + delta_h -103.474 #kJ/mol # Enthalpy of formation: -388.300 kJ/mol 98BAL/NOR - -analytic -53.97867E-1 00.00000E+0 54.04823E+2 00.00000E+0 00.00000E+0 + -analytic -53.97867E-1 00E+0 54.04823E+2 00E+0 00E+0 CrCl3(cr) -CrCl3 = +3.000Cl- +1.000Cr+3 - log_k +20.19 - delta_h -197.340 #kJ/mol +CrCl3 = 3 Cl- + Cr+3 + log_k 20.19 + delta_h -197.34 #kJ/mol # Enthalpy of formation: -544.400 kJ/mol 98BAL/NOR - -analytic -14.38248E+0 00.00000E+0 10.30779E+3 00.00000E+0 00.00000E+0 + -analytic -14.38248E+0 00E+0 10.30779E+3 00E+0 00E+0 Cristobalite -SiO2 = +1.000H4(SiO4) -2.000H2O - log_k -3.16 - delta_h +16.500 #kJ/mol +SiO2 = H4(SiO4) - 2 H2O + log_k -3.16 + delta_h 16.5 #kJ/mol # Enthalpy of formation: -906.034 kJ/mol 04FAB/SAX - -analytic -26.93241E-2 00.00000E+0 -86.18550E+1 00.00000E+0 00.00000E+0 + -analytic -26.93241E-2 00E+0 -86.1855E+1 00E+0 00E+0 CrO2(cr) -CrO2 = +4.000H+ +2.000e- +1.000CrO4-2 -2.000H2O - log_k -51.68 - delta_h +290.560 #kJ/mol +CrO2 = 4 H+ + 2 e- + CrO4-2 - 2 H2O + log_k -51.68 + delta_h 290.56 #kJ/mol # Enthalpy of formation: -597.900 kJ/mol 93BAR, 04CHI - -analytic -77.60731E-2 00.00000E+0 -15.17701E+3 00.00000E+0 00.00000E+0 + -analytic -77.60731E-2 00E+0 -15.17701E+3 00E+0 00E+0 CrO3(cr) -CrO3 = +2.000H+ +1.000CrO4-2 -1.000H2O - log_k -3.02 - delta_h -10.070 #kJ/mol +CrO3 = 2 H+ + CrO4-2 - H2O + log_k -3.02 + delta_h -10.07 #kJ/mol # Enthalpy of formation: -583.100 kJ/mol 98BAL/NOR, 04CHI - -analytic -47.84188E-1 00.00000E+0 52.59927E+1 00.00000E+0 00.00000E+0 + -analytic -47.84188E-1 00E+0 52.59927E+1 00E+0 00E+0 Crocoite -PbCrO4 = +1.000Pb+2 +1.000CrO4-2 - log_k -12.55 #42KOL/PER - delta_h +48.940 #kJ/mol +PbCrO4 = Pb+2 + CrO4-2 + log_k -12.55 #42KOL/PER + delta_h 48.94 #kJ/mol # Enthalpy of formation: -927.020 kJ/mol 75DEL/MCC - -analytic -39.76080E-1 00.00000E+0 -25.56314E+2 00.00000E+0 00.00000E+0 + -analytic -39.7608E-1 00E+0 -25.56314E+2 00E+0 00E+0 Cronstedtite-Th -Fe4SiO5(OH)4 = +2.000Fe+3 +2.000Fe+2 -10.000H+ +1.000H4(SiO4) +5.000H2O - log_k +16.11 - delta_h -256.496 #kJ/mol +Fe4SiO5(OH)4 = 2 Fe+3 + 2 Fe+2 - 10 H+ + H4(SiO4) + 5 H2O + log_k 16.11 + delta_h -256.496 #kJ/mol # Enthalpy of formation: -2914.550 kJ/mol 15BLA/VIE - -analytic -28.82617E+0 00.00000E+0 13.39772E+3 00.00000E+0 00.00000E+0 - -Vm 76.800 + -analytic -28.82617E+0 00E+0 13.39772E+3 00E+0 00E+0 + -Vm 76.8 CrPO4(green) -CrPO4 = -2.000H+ +1.000H2(PO4)- +1.000Cr+3 - log_k -3.06 #51ZHA - -analytic -30.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +CrPO4 = -2 H+ + H2(PO4)- + Cr+3 + log_k -3.06 #51ZHA + -analytic -30.6E-1 00E+0 00E+0 00E+0 00E+0 CrPO4(purple) -CrPO4 = -2.000H+ +1.000H2(PO4)- +1.000Cr+3 - log_k +2.56 #51ZHA - -analytic 25.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +CrPO4 = -2 H+ + H2(PO4)- + Cr+3 + log_k 2.56 #51ZHA + -analytic 25.6E-1 00E+0 00E+0 00E+0 00E+0 CrS(s) -CrS = -1.000H+ +1.000HS- +1.000Cr+2 - log_k +1.66 - delta_h -38.771 #kJ/mol +CrS = - H+ + HS- + Cr+2 + log_k 1.66 + delta_h -38.771 #kJ/mol # Enthalpy of formation: -135.143 kJ/mol 84PAN - -analytic -51.32388E-1 00.00000E+0 20.25150E+2 00.00000E+0 00.00000E+0 + -analytic -51.32388E-1 00E+0 20.2515E+2 00E+0 00E+0 Cs(cr) -Cs = +1.000Cs+ +1.000e- - log_k +51.06 - delta_h -258.000 #kJ/mol +Cs = Cs+ + e- + log_k 51.06 + delta_h -258 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG - -analytic 58.60340E-1 00.00000E+0 13.47628E+3 00.00000E+0 00.00000E+0 + -analytic 58.6034E-1 00E+0 13.47628E+3 00E+0 00E+0 Cs2(CO3)(s) -Cs2(CO3) = +2.000Cs+ +1.000CO3-2 - log_k +9.90 - delta_h -53.609 #kJ/mol -# Enthalpy of formation: -1137.620 kJ/mol - -analytic 50.81064E-2 00.00000E+0 28.00193E+2 00.00000E+0 00.00000E+0 +Cs2(CO3) = 2 Cs+ + CO3-2 + log_k 9.9 + delta_h -53.609 #kJ/mol +# Enthalpy of formation: -1137.620 kJ/mol + -analytic 50.81064E-2 00E+0 28.00193E+2 00E+0 00E+0 Cs2(SO4)(s) -Cs2(SO4) = +2.000Cs+ +1.000SO4-2 - log_k +0.58 - delta_h +17.769 #kJ/mol -# Enthalpy of formation: -1443.108 kJ/mol - -analytic 36.92995E-1 00.00000E+0 -92.81395E+1 00.00000E+0 00.00000E+0 +Cs2(SO4) = 2 Cs+ + SO4-2 + log_k 0.58 + delta_h 17.769 #kJ/mol +# Enthalpy of formation: -1443.108 kJ/mol + -analytic 36.92995E-1 00E+0 -92.81395E+1 00E+0 00E+0 Cs2MoO4(s) -Cs2MoO4 = +2.000Cs+ +1.000MoO4-2 - log_k +2.21 - delta_h +1.731 #kJ/mol -# Enthalpy of formation: -1514.730 kJ/mol - -analytic 25.13258E-1 00.00000E+0 -90.41643E+0 00.00000E+0 00.00000E+0 +Cs2MoO4 = 2 Cs+ + MoO4-2 + log_k 2.21 + delta_h 1.731 #kJ/mol +# Enthalpy of formation: -1514.730 kJ/mol + -analytic 25.13258E-1 00E+0 -90.41643E+0 00E+0 00E+0 Cs2O(s) -Cs2O = +2.000Cs+ -2.000H+ +1.000H2O - log_k +89.68 - delta_h -456.069 #kJ/mol -# Enthalpy of formation: -345.759 kJ/mol - -analytic 97.80141E-1 00.00000E+0 23.82214E+3 00.00000E+0 00.00000E+0 +Cs2O = 2 Cs+ - 2 H+ + H2O + log_k 89.68 + delta_h -456.069 #kJ/mol +# Enthalpy of formation: -345.759 kJ/mol + -analytic 97.80141E-1 00E+0 23.82214E+3 00E+0 00E+0 CsBr(cr) -CsBr = +1.000Cs+ +1.000Br- - log_k +0.72 - delta_h +26.190 #kJ/mol +CsBr = Cs+ + Br- + log_k 0.72 + delta_h 26.19 #kJ/mol # Enthalpy of formation: -405.600 kJ/mol 01LEM/FUG - -analytic 53.08291E-1 00.00000E+0 -13.67999E+2 00.00000E+0 00.00000E+0 + -analytic 53.08291E-1 00E+0 -13.67999E+2 00E+0 00E+0 CsCl(cr) -CsCl = +1.000Cs+ +1.000Cl- - log_k +1.55 - delta_h +17.230 #kJ/mol +CsCl = Cs+ + Cl- + log_k 1.55 + delta_h 17.23 #kJ/mol # Enthalpy of formation: -442.310 kJ/mol 01LEM/FUG - -analytic 45.68566E-1 00.00000E+0 -89.99856E+1 00.00000E+0 00.00000E+0 + -analytic 45.68566E-1 00E+0 -89.99856E+1 00E+0 00E+0 CSH0.8 -Ca0.8SiO2.8:1.54H2O = +0.800Ca+2 -1.600H+ +1.000H4(SiO4) +0.340H2O - log_k +11.05 #10BLA/BOU1 - delta_h -47.646 #kJ/mol +Ca0.8SiO2.8:1.54H2O = 0.8 Ca+2 - 1.6 H+ + H4(SiO4) + 0.34 H2O + log_k 11.05 #10BLA/BOU1 + delta_h -47.646 #kJ/mol # Enthalpy of formation: -1945.130 kJ/mol 10BLA/BOU1 - -analytic 27.02779E-1 00.00000E+0 24.88724E+2 00.00000E+0 00.00000E+0 - -Vm 59.290 + -analytic 27.02779E-1 00E+0 24.88724E+2 00E+0 00E+0 + -Vm 59.29 CSH1.2 -Ca1.2SiO3.2:2.06H2O = +1.200Ca+2 -2.400H+ +1.000H4(SiO4) +1.260H2O - log_k +19.30 #10BLA/BOU1 - delta_h -88.600 #kJ/mol +Ca1.2SiO3.2:2.06H2O = 1.2 Ca+2 - 2.4 H+ + H4(SiO4) + 1.26 H2O + log_k 19.3 #10BLA/BOU1 + delta_h -88.6 #kJ/mol # Enthalpy of formation: -2384.340 kJ/mol 10BLA/BOU1 - -analytic 37.77946E-1 00.00000E+0 46.27900E+2 00.00000E+0 00.00000E+0 - -Vm 71.950 + -analytic 37.77946E-1 00E+0 46.279E+2 00E+0 00E+0 + -Vm 71.95 CSH1.6 -Ca1.6SiO3.6:2.58H2O = +1.600Ca+2 -3.200H+ +1.000H4(SiO4) +2.180H2O - log_k +28.00 #10BLA/BOU1 - delta_h -133.313 #kJ/mol +Ca1.6SiO3.6:2.58H2O = 1.6 Ca+2 - 3.2 H+ + H4(SiO4) + 2.18 H2O + log_k 28 #10BLA/BOU1 + delta_h -133.313 #kJ/mol # Enthalpy of formation: -2819.790 kJ/mol 10BLA/BOU1 - -analytic 46.44565E-1 00.00000E+0 69.63423E+2 00.00000E+0 00.00000E+0 - -Vm 84.680 + -analytic 46.44565E-1 00E+0 69.63423E+2 00E+0 00E+0 + -Vm 84.68 Cu(cr) -Cu = +1.000Cu+2 +2.000e- - log_k -11.39 - delta_h +64.900 #kJ/mol +Cu = Cu+2 + 2 e- + log_k -11.39 + delta_h 64.9 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 01LEM/FUG - -analytic -20.00807E-3 00.00000E+0 -33.89963E+2 00.00000E+0 00.00000E+0 + -analytic -20.00807E-3 00E+0 -33.89963E+2 00E+0 00E+0 Cu(OH)2(s) -Cu(OH)2 = +1.000Cu+2 -2.000H+ +2.000H2O - log_k +8.64 #97BEV/PUI - delta_h -62.764 #kJ/mol -# Enthalpy of formation: -443.996 kJ/mol - -analytic -23.55781E-1 00.00000E+0 32.78392E+2 00.00000E+0 00.00000E+0 +Cu(OH)2 = Cu+2 - 2 H+ + 2 H2O + log_k 8.64 #97BEV/PUI + delta_h -62.764 #kJ/mol +# Enthalpy of formation: -443.996 kJ/mol + -analytic -23.55781E-1 00E+0 32.78392E+2 00E+0 00E+0 Cu(SeO3):2H2O(s) -Cu(SeO3):2H2O = +1.000Cu+2 +1.000SeO3-2 +2.000H2O - log_k -9.50 #Average value from 56CHU2 and 93SLA/POP in 05OLI/NOL - delta_h -15.320 #kJ/mol +Cu(SeO3):2H2O = Cu+2 + SeO3-2 + 2 H2O + log_k -9.5 #Average value from 56CHU2 and 93SLA/POP in 05OLI/NOL + delta_h -15.32 #kJ/mol # Enthalpy of formation: -998.600 kJ/mol 05OLI/NOL - -analytic -12.18395E+0 00.00000E+0 80.02193E+1 00.00000E+0 00.00000E+0 + -analytic -12.18395E+0 00E+0 80.02193E+1 00E+0 00E+0 Cu(SeO4):5H2O(s) -Cu(SeO4):5H2O = +1.000Cu+2 +1.000SeO4-2 +5.000H2O - log_k -2.44 #05OLI/NOL - delta_h +5.580 #kJ/mol +Cu(SeO4):5H2O = Cu+2 + SeO4-2 + 5 H2O + log_k -2.44 #05OLI/NOL + delta_h 5.58 #kJ/mol # Enthalpy of formation: -1973.330 kJ/mol 05OLI/NOL - -analytic -14.62426E-1 00.00000E+0 -29.14637E+1 00.00000E+0 00.00000E+0 + -analytic -14.62426E-1 00E+0 -29.14637E+1 00E+0 00E+0 Cu1.75S(cr) -Cu1.75S = +0.250Cu+2 +1.500Cu+ -1.000H+ +1.000HS- - log_k -31.22 #94THO/HEL - delta_h +179.717 #kJ/mol -# Enthalpy of formation: -73.910 kJ/mol - -analytic 26.50669E-2 00.00000E+0 -93.87273E+2 00.00000E+0 00.00000E+0 +Cu1.75S = 0.25 Cu+2 + 1.5 Cu+ - H+ + HS- + log_k -31.22 #94THO/HEL + delta_h 179.717 #kJ/mol +# Enthalpy of formation: -73.910 kJ/mol + -analytic 26.50669E-2 00E+0 -93.87273E+2 00E+0 00E+0 Cu1.934S(cr) -Cu1.934S = +0.066Cu+2 +1.868Cu+ -1.000H+ +1.000HS- - log_k -33.33 #94THO/HEL - delta_h +198.224 #kJ/mol -# Enthalpy of formation: -78.382 kJ/mol - -analytic 13.97354E-1 00.00000E+0 -10.35396E+3 00.00000E+0 00.00000E+0 +Cu1.934S = 0.066 Cu+2 + 1.868 Cu+ - H+ + HS- + log_k -33.33 #94THO/HEL + delta_h 198.224 #kJ/mol +# Enthalpy of formation: -78.382 kJ/mol + -analytic 13.97354E-1 00E+0 -10.35396E+3 00E+0 00E+0 Cu2Cl(OH)3(am) -Cu2Cl(OH)3 = +2.000Cu+2 -3.000H+ +1.000Cl- +3.000H2O - log_k +7.46 #00PUI/TAX - delta_h -79.445 #kJ/mol 97LUB/KOL -# Enthalpy of formation: -815.325 kJ/mol - -analytic -64.58167E-1 00.00000E+0 41.49701E+2 00.00000E+0 00.00000E+0 +Cu2Cl(OH)3 = 2 Cu+2 - 3 H+ + Cl- + 3 H2O + log_k 7.46 #00PUI/TAX + delta_h -79.445 #kJ/mol 97LUB/KOL +# Enthalpy of formation: -815.325 kJ/mol + -analytic -64.58167E-1 00E+0 41.49701E+2 00E+0 00E+0 Cu2Cl(OH)3(s) -Cu2Cl(OH)3 = +2.000Cu+2 -3.000H+ +1.000Cl- +3.000H2O - log_k +6.90 #97LUB/KOL - delta_h -79.445 #kJ/mol 97LUB/KOL -# Enthalpy of formation: -815.325 kJ/mol - -analytic -70.18167E-1 00.00000E+0 41.49701E+2 00.00000E+0 00.00000E+0 +Cu2Cl(OH)3 = 2 Cu+2 - 3 H+ + Cl- + 3 H2O + log_k 6.9 #97LUB/KOL + delta_h -79.445 #kJ/mol 97LUB/KOL +# Enthalpy of formation: -815.325 kJ/mol + -analytic -70.18167E-1 00E+0 41.49701E+2 00E+0 00E+0 Cu2O(cr) -Cu2O = +2.000Cu+ -2.000H+ +1.000H2O - log_k -0.62 #11PAL - delta_h +18.446 #kJ/mol -# Enthalpy of formation: -163.099 kJ/mol - -analytic 26.11600E-1 00.00000E+0 -96.35017E+1 00.00000E+0 00.00000E+0 +Cu2O = 2 Cu+ - 2 H+ + H2O + log_k -0.62 #11PAL + delta_h 18.446 #kJ/mol +# Enthalpy of formation: -163.099 kJ/mol + -analytic 26.116E-1 00E+0 -96.35017E+1 00E+0 00E+0 Cu2Se(alfa) -Cu2Se = +2.000Cu+ -1.000H+ +1.000HSe- - log_k -45.89 #01SEB/POT2 - delta_h +214.778 #kJ/mol +Cu2Se = 2 Cu+ - H+ + HSe- + log_k -45.89 #01SEB/POT2 + delta_h 214.778 #kJ/mol # Enthalpy of formation: -59.300 kJ/mol 05OLI/NOL - -analytic -82.62510E-1 00.00000E+0 -11.21864E+3 00.00000E+0 00.00000E+0 + -analytic -82.6251E-1 00E+0 -11.21864E+3 00E+0 00E+0 Cu3(AsO4)2(s) -Cu3(AsO4)2 = +3.000Cu+2 +2.000AsO4-3 - log_k -34.88 - -analytic -34.88000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Cu3(AsO4)2 = 3 Cu+2 + 2 AsO4-3 + log_k -34.88 + -analytic -34.88E+0 00E+0 00E+0 00E+0 00E+0 CuCl(s) -CuCl = +1.000Cu+ +1.000Cl- - log_k -6.82 #97WAN/ZHA - delta_h +41.579 #kJ/mol +CuCl = Cu+ + Cl- + log_k -6.82 #97WAN/ZHA + delta_h 41.579 #kJ/mol # Enthalpy of formation: -138.070 kJ/mol 85CHA/DAV - -analytic 46.43281E-2 00.00000E+0 -21.71822E+2 00.00000E+0 00.00000E+0 + -analytic 46.43281E-2 00E+0 -21.71822E+2 00E+0 00E+0 CuCO3(s) -CuCO3 = +1.000Cu+2 +1.000CO3-2 - log_k -11.45 #99GRA/BER in 00PUI/TAX - delta_h -4.977 #kJ/mol -# Enthalpy of formation: -605.353 kJ/mol - -analytic -12.32193E+0 00.00000E+0 25.99668E+1 00.00000E+0 00.00000E+0 +CuCO3 = Cu+2 + CO3-2 + log_k -11.45 #99GRA/BER in 00PUI/TAX + delta_h -4.977 #kJ/mol +# Enthalpy of formation: -605.353 kJ/mol + -analytic -12.32193E+0 00E+0 25.99668E+1 00E+0 00E+0 CuO(s) -CuO = +1.000Cu+2 -2.000H+ +1.000H2O - log_k +7.63 #21RIB/COL from 65SCH/ALT - delta_h -64.616 #kJ/mol -# Enthalpy of formation: -156.313 kJ/mol - -analytic -36.90237E-1 00.00000E+0 33.75129E+2 00.00000E+0 00.00000E+0 +CuO = Cu+2 - 2 H+ + H2O + log_k 7.63 #21RIB/COL from 65SCH/ALT + delta_h -64.616 #kJ/mol +# Enthalpy of formation: -156.313 kJ/mol + -analytic -36.90237E-1 00E+0 33.75129E+2 00E+0 00E+0 CuSe(alfa) -CuSe = +1.000Cu+2 -1.000H+ +1.000HSe- - log_k -25.46 - delta_h +118.700 #kJ/mol +CuSe = Cu+2 - H+ + HSe- + log_k -25.46 + delta_h 118.7 #kJ/mol # Enthalpy of formation: -39.500 kJ/mol 05OLI/NOL - -analytic -46.64653E-1 00.00000E+0 -62.00133E+2 00.00000E+0 00.00000E+0 + -analytic -46.64653E-1 00E+0 -62.00133E+2 00E+0 00E+0 CuSe(beta) -CuSe = +1.000Cu+2 -1.000H+ +1.000HSe- - log_k -25.13 - delta_h +116.000 #kJ/mol +CuSe = Cu+2 - H+ + HSe- + log_k -25.13 + delta_h 116 #kJ/mol # Enthalpy of formation: -36.800 kJ/mol 05OLI/NOL - -analytic -48.07672E-1 00.00000E+0 -60.59102E+2 00.00000E+0 00.00000E+0 + -analytic -48.07672E-1 00E+0 -60.59102E+2 00E+0 00E+0 Dawsonite -NaAl(CO3)(OH)2 = +1.000Na+ +1.000Al+3 -2.000H+ +1.000CO3-2 +2.000H2O - log_k -6.00 - delta_h -61.630 #kJ/mol +NaAl(CO3)(OH)2 = Na+ + Al+3 - 2 H+ + CO3-2 + 2 H2O + log_k -6 + delta_h -61.63 #kJ/mol # Enthalpy of formation: -1964.000 kJ/mol 76FER/STU - -analytic -16.79711E+0 00.00000E+0 32.19159E+2 00.00000E+0 00.00000E+0 - -Vm 59.300 + -analytic -16.79711E+0 00E+0 32.19159E+2 00E+0 00E+0 + -Vm 59.3 Diaspore -AlO(OH) = +1.000Al+3 -3.000H+ +2.000H2O - log_k +6.87 - delta_h -108.760 #kJ/mol +AlO(OH) = Al+3 - 3 H+ + 2 H2O + log_k 6.87 + delta_h -108.76 #kJ/mol # Enthalpy of formation: -1001.300 kJ/mol 95ROB/HEM - -analytic -12.18393E+0 00.00000E+0 56.80930E+2 00.00000E+0 00.00000E+0 + -analytic -12.18393E+0 00E+0 56.8093E+2 00E+0 00E+0 Dickite -Al2Si2O5(OH)4 = +2.000Al+3 -6.000H+ +2.000H4(SiO4) +1.000H2O - log_k +9.39 - delta_h -185.218 #kJ/mol +Al2Si2O5(OH)4 = 2 Al+3 - 6 H+ + 2 H4(SiO4) + H2O + log_k 9.39 + delta_h -185.218 #kJ/mol # Enthalpy of formation: -4099.800 kJ/mol 03FIA/MAJ - -analytic -23.05880E+0 00.00000E+0 96.74610E+2 00.00000E+0 00.00000E+0 + -analytic -23.0588E+0 00E+0 96.7461E+2 00E+0 00E+0 Dolomite -CaMg(CO3)2 = +1.000Ca+2 +1.000Mg+2 +2.000CO3-2 - log_k -17.13 - delta_h -35.960 #kJ/mol +CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 + log_k -17.13 + delta_h -35.96 #kJ/mol # Enthalpy of formation: -2324.500 kJ/mol 95ROB/HEM - -analytic -23.42992E+0 00.00000E+0 18.78322E+2 00.00000E+0 00.00000E+0 - -Vm 64.370 + -analytic -23.42992E+0 00E+0 18.78322E+2 00E+0 00E+0 + -Vm 64.37 Downeyite -SeO2 = +2.000H+ +1.000SeO3-2 -1.000H2O - log_k -8.15 - delta_h +4.060 #kJ/mol +SeO2 = 2 H+ + SeO3-2 - H2O + log_k -8.15 + delta_h 4.06 #kJ/mol # Enthalpy of formation: -225.390 kJ/mol 05OLI/NOL - -analytic -74.38719E-1 00.00000E+0 -21.20686E+1 00.00000E+0 00.00000E+0 + -analytic -74.38719E-1 00E+0 -21.20686E+1 00E+0 00E+0 Eastonite -KMg2Al3Si2O10(OH)2 = +2.000Mg+2 +1.000K+ +3.000Al+3 -14.000H+ +2.000H4(SiO4) +4.000H2O - log_k +46.30 - delta_h -518.108 #kJ/mol +KMg2Al3Si2O10(OH)2 = 2 Mg+2 + K+ + 3 Al+3 - 14 H+ + 2 H4(SiO4) + 4 H2O + log_k 46.3 + delta_h -518.108 #kJ/mol # Enthalpy of formation: -6348.940 kJ/mol 98HOL/POW - -analytic -44.46863E+0 00.00000E+0 27.06267E+3 00.00000E+0 00.00000E+0 - -Vm 147.510 + -analytic -44.46863E+0 00E+0 27.06267E+3 00E+0 00E+0 + -Vm 147.51 Epsonite -Mg(SO4):7H2O = +1.000Mg+2 +1.000SO4-2 +7.000H2O - log_k -1.88 #84HAR/MOL - delta_h +10.990 #kJ/mol -# Enthalpy of formation: -3388.138 kJ/mol - -analytic 45.36535E-3 00.00000E+0 -57.40477E+1 00.00000E+0 00.00000E+0 +Mg(SO4):7H2O = Mg+2 + SO4-2 + 7 H2O + log_k -1.88 #84HAR/MOL + delta_h 10.99 #kJ/mol +# Enthalpy of formation: -3388.138 kJ/mol + -analytic 45.36535E-3 00E+0 -57.40477E+1 00E+0 00E+0 Ettringite -Ca6Al2(SO4)3(OH)12:26H2O = +6.000Ca+2 +2.000Al+3 -12.000H+ +3.000SO4-2 +38.000H2O - log_k +56.97 #10BLA/BOU2 - delta_h -379.830 #kJ/mol +Ca6Al2(SO4)3(OH)12:26H2O = 6 Ca+2 + 2 Al+3 - 12 H+ + 3 SO4-2 + 38 H2O + log_k 56.97 #10BLA/BOU2 + delta_h -379.83 #kJ/mol # Enthalpy of formation: -17544.530kJ/mol 10BLA/BOU2 - -analytic -95.73360E-1 00.00000E+0 19.83990E+3 00.00000E+0 00.00000E+0 - -Vm 710.320 + -analytic -95.7336E-1 00E+0 19.8399E+3 00E+0 00E+0 + -Vm 710.32 Ettringite-Fe -Ca6Fe2(SO4)3(OH)12:26H2O = +6.000Ca+2 +2.000Fe+3 -12.000H+ +3.000SO4-2 +38.000H2O - log_k +54.55 #10BLA/BOU2 - delta_h -346.706 #kJ/mol -# Enthalpy of formation: -16600.951kJ/mol - -analytic -61.90284E-1 00.00000E+0 18.10972E+3 00.00000E+0 00.00000E+0 - -Vm 711.800 +Ca6Fe2(SO4)3(OH)12:26H2O = 6 Ca+2 + 2 Fe+3 - 12 H+ + 3 SO4-2 + 38 H2O + log_k 54.55 #10BLA/BOU2 + delta_h -346.706 #kJ/mol +# Enthalpy of formation: -16600.951kJ/mol + -analytic -61.90284E-1 00E+0 18.10972E+3 00E+0 00E+0 + -Vm 711.8 Eu(cr) -Eu = +1.000Eu+3 +3.000e- - log_k +100.64 - delta_h -605.325 #kJ/mol +Eu = Eu+3 + 3 e- + log_k 100.64 + delta_h -605.325 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 82WAG/EVA - -analytic -54.08388E-1 00.00000E+0 31.61833E+3 00.00000E+0 00.00000E+0 + -analytic -54.08388E-1 00E+0 31.61833E+3 00E+0 00E+0 Eu(NO3)3:6H2O(s) -Eu(NO3)3:6H2O = +1.000Eu+3 +3.000NO3- +6.000H2O - log_k +1.84 #95SPA/BRU - delta_h +16.845 #kJ/mol +Eu(NO3)3:6H2O = Eu+3 + 3 NO3- + 6 H2O + log_k 1.84 #95SPA/BRU + delta_h 16.845 #kJ/mol # Enthalpy of formation: -2957.700 kJ/mol 82WAG/EVA - -analytic 47.91117E-1 00.00000E+0 -87.98756E+1 00.00000E+0 00.00000E+0 + -analytic 47.91117E-1 00E+0 -87.98756E+1 00E+0 00E+0 Eu(OH)3(am) -Eu(OH)3 = +1.000Eu+3 -3.000H+ +3.000H2O - log_k +17.60 #98DIA/RAG - -analytic 17.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Eu(OH)3 = Eu+3 - 3 H+ + 3 H2O + log_k 17.6 #98DIA/RAG + -analytic 17.6E+0 00E+0 00E+0 00E+0 00E+0 Eu(OH)3(cr) -Eu(OH)3 = +1.000Eu+3 -3.000H+ +3.000H2O - log_k +15.46 #98DIA/RAG - delta_h -127.543 #kJ/mol -# Enthalpy of formation: -1335.272 kJ/mol - -analytic -68.84574E-1 00.00000E+0 66.62035E+2 00.00000E+0 00.00000E+0 +Eu(OH)3 = Eu+3 - 3 H+ + 3 H2O + log_k 15.46 #98DIA/RAG + delta_h -127.543 #kJ/mol +# Enthalpy of formation: -1335.272 kJ/mol + -analytic -68.84574E-1 00E+0 66.62035E+2 00E+0 00E+0 Eu(PO4):xH2O(s) -Eu(PO4) = +1.000Eu+3 -2.000H+ +1.000H2(PO4)- - log_k -4.84 #95SPA/BRU - -analytic -48.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Eu(PO4) = Eu+3 - 2 H+ + H2(PO4)- + log_k -4.84 #95SPA/BRU + -analytic -48.4E-1 00E+0 00E+0 00E+0 00E+0 Eu2(CO3)3(s) -Eu2(CO3)3 = +2.000Eu+3 +3.000CO3-2 - log_k -35.00 #95SPA/BRU - -analytic -35.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Eu2(CO3)3 = 2 Eu+3 + 3 CO3-2 + log_k -35 #95SPA/BRU + -analytic -35E+0 00E+0 00E+0 00E+0 00E+0 Eu2(SO4)3:8H2O(s) -Eu2(SO4)3:8H2O = +2.000Eu+3 +3.000SO4-2 +8.000H2O - log_k -10.20 #95SPA/BRU - delta_h -90.974 #kJ/mol -# Enthalpy of formation: -6134.332 kJ/mol - -analytic -26.13796E+0 00.00000E+0 47.51903E+2 00.00000E+0 00.00000E+0 +Eu2(SO4)3:8H2O = 2 Eu+3 + 3 SO4-2 + 8 H2O + log_k -10.2 #95SPA/BRU + delta_h -90.974 #kJ/mol +# Enthalpy of formation: -6134.332 kJ/mol + -analytic -26.13796E+0 00E+0 47.51903E+2 00E+0 00E+0 Eu2O3(cubic) -Eu2O3 = +2.000Eu+3 -6.000H+ +3.000H2O - log_k +52.40 #95SPA/BRU - delta_h -405.440 #kJ/mol +Eu2O3 = 2 Eu+3 - 6 H+ + 3 H2O + log_k 52.4 #95SPA/BRU + delta_h -405.44 #kJ/mol # Enthalpy of formation: -1662.700 kJ/mol 82WAG/EVA - -analytic -18.63004E+0 00.00000E+0 21.17761E+3 00.00000E+0 00.00000E+0 + -analytic -18.63004E+0 00E+0 21.17761E+3 00E+0 00E+0 Eu2O3(monoclinic) -Eu2O3 = +2.000Eu+3 -6.000H+ +3.000H2O - log_k +53.47 - delta_h -418.513 #kJ/mol -# Enthalpy of formation: -1649.626 kJ/mol - -analytic -19.85033E+0 00.00000E+0 21.86046E+3 00.00000E+0 00.00000E+0 +Eu2O3 = 2 Eu+3 - 6 H+ + 3 H2O + log_k 53.47 + delta_h -418.513 #kJ/mol +# Enthalpy of formation: -1649.626 kJ/mol + -analytic -19.85033E+0 00E+0 21.86046E+3 00E+0 00E+0 Eu3O4(s) -Eu3O4 = +3.000Eu+3 -8.000H+ +1.000e- +4.000H2O - log_k +93.02 - delta_h -688.765 #kJ/mol -# Enthalpy of formation: -2270.529 kJ/mol - -analytic -27.64645E+0 00.00000E+0 35.97670E+3 00.00000E+0 00.00000E+0 +Eu3O4 = 3 Eu+3 - 8 H+ + e- + 4 H2O + log_k 93.02 + delta_h -688.765 #kJ/mol +# Enthalpy of formation: -2270.529 kJ/mol + -analytic -27.64645E+0 00E+0 35.9767E+3 00E+0 00E+0 EuBr3(s) -EuBr3 = +1.000Eu+3 +3.000Br- - log_k +30.19 #95SPA/BRU - -analytic 30.19000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +EuBr3 = Eu+3 + 3 Br- + log_k 30.19 #95SPA/BRU + -analytic 30.19E+0 00E+0 00E+0 00E+0 00E+0 EuCl(OH)2(s) -EuCl(OH)2 = +1.000Eu+3 -2.000H+ +1.000Cl- +2.000H2O - log_k +9.13 #95SPA/BRU - -analytic 91.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +EuCl(OH)2 = Eu+3 - 2 H+ + Cl- + 2 H2O + log_k 9.13 #95SPA/BRU + -analytic 91.3E-1 00E+0 00E+0 00E+0 00E+0 EuCl2(s) -EuCl2 = +1.000Eu+3 +1.000e- +2.000Cl- - log_k +11.22 #95SPA/BRU - delta_h -115.485 #kJ/mol +EuCl2 = Eu+3 + e- + 2 Cl- + log_k 11.22 #95SPA/BRU + delta_h -115.485 #kJ/mol # Enthalpy of formation: -824.000 kJ/mol 82WAG/EVA - -analytic -90.12104E-1 00.00000E+0 60.32202E+2 00.00000E+0 00.00000E+0 + -analytic -90.12104E-1 00E+0 60.32202E+2 00E+0 00E+0 EuCl3(s) -EuCl3 = +1.000Eu+3 +3.000Cl- - log_k +19.72 #96FAL/REA - delta_h -170.565 #kJ/mol +EuCl3 = Eu+3 + 3 Cl- + log_k 19.72 #96FAL/REA + delta_h -170.565 #kJ/mol # Enthalpy of formation: -936.000 kJ/mol 82WAG/EVA - -analytic -10.16171E+0 00.00000E+0 89.09230E+2 00.00000E+0 00.00000E+0 + -analytic -10.16171E+0 00E+0 89.0923E+2 00E+0 00E+0 EuCl3:6H2O(s) -EuCl3:6H2O = +1.000Eu+3 +3.000Cl- +6.000H2O - log_k +5.20 #95SPA/BRU - delta_h -41.414 #kJ/mol -# Enthalpy of formation: -2780.128 kJ/mol - -analytic -20.55421E-1 00.00000E+0 21.63204E+2 00.00000E+0 00.00000E+0 +EuCl3:6H2O = Eu+3 + 3 Cl- + 6 H2O + log_k 5.2 #95SPA/BRU + delta_h -41.414 #kJ/mol +# Enthalpy of formation: -2780.128 kJ/mol + -analytic -20.55421E-1 00E+0 21.63204E+2 00E+0 00E+0 EuCO3OH(cr) -Eu(CO3)(OH) = +1.000Eu+3 -1.000H+ +1.000CO3-2 +1.000H2O - log_k -9.63 - delta_h -43.385 #kJ/mol +Eu(CO3)(OH) = Eu+3 - H+ + CO3-2 + H2O + log_k -9.63 + delta_h -43.385 #kJ/mol # Enthalpy of formation: -1523.000 kJ/mol 05ROR/FUG - -analytic -17.23073E+0 00.00000E+0 22.66156E+2 00.00000E+0 00.00000E+0 + -analytic -17.23073E+0 00E+0 22.66156E+2 00E+0 00E+0 EuCO3OH:0.5H2O(s) -Eu(CO3)(OH):0.5H2O = +1.000Eu+3 -1.000H+ +1.000CO3-2 +1.500H2O - log_k -7.80 #95SPA/BRU - delta_h -55.900 #kJ/mol +Eu(CO3)(OH):0.5H2O = Eu+3 - H+ + CO3-2 + 1.5 H2O + log_k -7.8 #95SPA/BRU + delta_h -55.9 #kJ/mol # Enthalpy of formation: -1653.400 kJ/mol 05ROR/FUG - -analytic -17.59326E+0 00.00000E+0 29.19860E+2 00.00000E+0 00.00000E+0 + -analytic -17.59326E+0 00E+0 29.1986E+2 00E+0 00E+0 EuF3(s) -EuF3 = +1.000Eu+3 +3.000F- - log_k -18.50 #96FAL/REA - -analytic -18.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +EuF3 = Eu+3 + 3 F- + log_k -18.5 #96FAL/REA + -analytic -18.5E+0 00E+0 00E+0 00E+0 00E+0 EuF3:0.5H2O(s) -EuF3:0.5H2O = +1.000Eu+3 +3.000F- +0.500H2O - log_k -17.20 #95SPA/BRU - -analytic -17.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +EuF3:0.5H2O = Eu+3 + 3 F- + 0.5 H2O + log_k -17.2 #95SPA/BRU + -analytic -17.2E+0 00E+0 00E+0 00E+0 00E+0 EuO(s) -EuO = +1.000Eu+3 -2.000H+ +1.000e- +1.000H2O - log_k +44.77 - delta_h -300.012 #kJ/mol -# Enthalpy of formation: -591.143 kJ/mol - -analytic -77.89846E-1 00.00000E+0 15.67072E+3 00.00000E+0 00.00000E+0 +EuO = Eu+3 - 2 H+ + e- + H2O + log_k 44.77 + delta_h -300.012 #kJ/mol +# Enthalpy of formation: -591.143 kJ/mol + -analytic -77.89846E-1 00E+0 15.67072E+3 00E+0 00E+0 EuOCl(s) -EuOCl = +1.000Eu+3 -2.000H+ +1.000Cl- +1.000H2O - log_k +15.81 #95SPA/BRU - delta_h -154.735 #kJ/mol +EuOCl = Eu+3 - 2 H+ + Cl- + H2O + log_k 15.81 #95SPA/BRU + delta_h -154.735 #kJ/mol # Enthalpy of formation: -903.500 kJ/mol 98BUR/PET - -analytic -11.29841E+0 00.00000E+0 80.82372E+2 00.00000E+0 00.00000E+0 + -analytic -11.29841E+0 00E+0 80.82372E+2 00E+0 00E+0 EuPO4:H2O(cr) -EuPO4:H2O = +1.000Eu+3 -2.000H+ +1.000H2(PO4)- +1.000H2O - log_k -6.44 #97LIU/BYR - -analytic -64.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +EuPO4:H2O = Eu+3 - 2 H+ + H2(PO4)- + H2O + log_k -6.44 #97LIU/BYR + -analytic -64.4E-1 00E+0 00E+0 00E+0 00E+0 EuSO4(s) -EuSO4 = +1.000Eu+3 +1.000e- +1.000SO4-2 - log_k -2.52 #95SPA/BRU - delta_h -92.864 #kJ/mol -# Enthalpy of formation: -1421.801 kJ/mol - -analytic -18.78907E+0 00.00000E+0 48.50625E+2 00.00000E+0 00.00000E+0 +EuSO4 = Eu+3 + e- + SO4-2 + log_k -2.52 #95SPA/BRU + delta_h -92.864 #kJ/mol +# Enthalpy of formation: -1421.801 kJ/mol + -analytic -18.78907E+0 00E+0 48.50625E+2 00E+0 00E+0 Fayalite -Fe2(SiO4) = +2.000Fe+2 -4.000H+ +1.000H4(SiO4) - log_k +19.55 - delta_h -163.644 #kJ/mol +Fe2(SiO4) = 2 Fe+2 - 4 H+ + H4(SiO4) + log_k 19.55 + delta_h -163.644 #kJ/mol # Enthalpy of formation: -1478.140 kJ/mol 95ROB/HEM - -analytic -91.19198E-1 00.00000E+0 85.47721E+2 00.00000E+0 00.00000E+0 + -analytic -91.19198E-1 00E+0 85.47721E+2 00E+0 00E+0 Fe(alpha,cr) -Fe = +1.000Fe+2 +2.000e- - log_k +15.89 - delta_h -90.295 #kJ/mol +Fe = Fe+2 + 2 e- + log_k 15.89 + delta_h -90.295 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 13LEM/BER - -analytic 70.99504E-3 00.00000E+0 47.16436E+2 00.00000E+0 00.00000E+0 + -analytic 70.99504E-3 00E+0 47.16436E+2 00E+0 00E+0 Fe(OH)2(cr) -Fe(OH)2 = +1.000Fe+2 -2.000H+ +2.000H2O - log_k +12.78 - delta_h -87.915 #kJ/mol +Fe(OH)2 = Fe+2 - 2 H+ + 2 H2O + log_k 12.78 + delta_h -87.915 #kJ/mol # Enthalpy of formation: -574.040 kJ/mol 98CHA in 04CHI - -analytic -26.22047E-1 00.00000E+0 45.92120E+2 00.00000E+0 00.00000E+0 + -analytic -26.22047E-1 00E+0 45.9212E+2 00E+0 00E+0 Fe(PO4)(cr) -Fe(PO4) = +1.000Fe+3 -2.000H+ +1.000H2(PO4)- - log_k -1.39 - delta_h -85.096 #kJ/mol +Fe(PO4) = Fe+3 - 2 H+ + H2(PO4)- + log_k -1.39 + delta_h -85.096 #kJ/mol # Enthalpy of formation: -1267.560 kJ/mol 20LEM/PAL - -analytic -16.29818E+0 00.00000E+0 44.44874E+2 00.00000E+0 00.00000E+0 + -analytic -16.29818E+0 00E+0 44.44874E+2 00E+0 00E+0 Fe0.932O(s) -Fe0.932O = +0.932Fe+2 -2.000H+ -0.136e- +1.000H2O - log_k +13.51 - delta_h -104.185 #kJ/mol +Fe0.932O = 0.932 Fe+2 - 2 H+ - 0.136 e- + H2O + log_k 13.51 + delta_h -104.185 #kJ/mol # Enthalpy of formation: -265.800 kJ/mol 20LEM/PAL - -analytic -47.42428E-1 00.00000E+0 54.41962E+2 00.00000E+0 00.00000E+0 + -analytic -47.42428E-1 00E+0 54.41962E+2 00E+0 00E+0 Fe1.04Se(beta) -Fe1.04Se = +1.040Fe+2 -1.000H+ +0.080e- +1.000HSe- - log_k -3.38 - delta_h -10.007 #kJ/mol +Fe1.04Se = 1.04 Fe+2 - H+ + 0.08 e- + HSe- + log_k -3.38 + delta_h -10.007 #kJ/mol # Enthalpy of formation: -69.600 kJ/mol 05OLI/NOL - -analytic -51.33151E-1 00.00000E+0 52.27020E+1 00.00000E+0 00.00000E+0 + -analytic -51.33151E-1 00E+0 52.2702E+1 00E+0 00E+0 Fe2(SeO3)3:6H2O(s) -Fe2(SeO3)3:6H2O = +2.000Fe+3 +3.000SeO3-2 +6.000H2O - log_k -41.58 #05OLI/NOL - -analytic -41.58000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Fe2(SeO3)3:6H2O = 2 Fe+3 + 3 SeO3-2 + 6 H2O + log_k -41.58 #05OLI/NOL + -analytic -41.58E+0 00E+0 00E+0 00E+0 00E+0 Fe3O4(s) -Fe3O4 = +2.000Fe+3 +1.000Fe+2 -8.000H+ +4.000H2O - log_k +12.60 #18BRU/GON - -analytic 12.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Fe3O4 = 2 Fe+3 + Fe+2 - 8 H+ + 4 H2O + log_k 12.6 #18BRU/GON + -analytic 12.6E+0 00E+0 00E+0 00E+0 00E+0 Fe3Se4(gamma) -Fe3Se4 = +3.000Fe+2 -4.000H+ -2.000e- +4.000HSe- - log_k -25.53 - delta_h +21.315 #kJ/mol +Fe3Se4 = 3 Fe+2 - 4 H+ - 2 e- + 4 HSe- + log_k -25.53 + delta_h 21.315 #kJ/mol # Enthalpy of formation: -235.000 kJ/mol 05OLI/NOL - -analytic -21.79577E+0 00.00000E+0 -11.13360E+2 00.00000E+0 00.00000E+0 + -analytic -21.79577E+0 00E+0 -11.1336E+2 00E+0 00E+0 Fe7Se8(alfa) -Fe7Se8 = +7.000Fe+2 -8.000H+ -2.000e- +8.000HSe- - log_k -35.44 - delta_h -54.165 #kJ/mol +Fe7Se8 = 7 Fe+2 - 8 H+ - 2 e- + 8 HSe- + log_k -35.44 + delta_h -54.165 #kJ/mol # Enthalpy of formation: -463.500 kJ/mol 05OLI/NOL - -analytic -44.92930E+0 00.00000E+0 28.29235E+2 00.00000E+0 00.00000E+0 + -analytic -44.9293E+0 00E+0 28.29235E+2 00E+0 00E+0 FeAl2O4(s) -FeAl2O4 = +1.000Fe+2 +2.000Al+3 -8.000H+ +4.000H2O - log_k +27.20 #96FAL/REA - -analytic 27.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +FeAl2O4 = Fe+2 + 2 Al+3 - 8 H+ + 4 H2O + log_k 27.2 #96FAL/REA + -analytic 27.2E+0 00E+0 00E+0 00E+0 00E+0 FeF2(cr) -FeF2 = +1.000Fe+2 +2.000F- - log_k -2.76 - delta_h -48.895 #kJ/mol +FeF2 = Fe+2 + 2 F- + log_k -2.76 + delta_h -48.895 #kJ/mol # Enthalpy of formation: -712.100 kJ/mol 13LEM/BER - -analytic -11.32604E+0 00.00000E+0 25.53964E+2 00.00000E+0 00.00000E+0 + -analytic -11.32604E+0 00E+0 25.53964E+2 00E+0 00E+0 FeMoO4(s) -FeMoO4 = +1.000Fe+2 +1.000MoO4-2 - log_k -8.32 - delta_h -11.893 #kJ/mol -# Enthalpy of formation: -1075.402 kJ/mol - -analytic -10.40356E+0 00.00000E+0 62.12147E+1 00.00000E+0 00.00000E+0 +FeMoO4 = Fe+2 + MoO4-2 + log_k -8.32 + delta_h -11.893 #kJ/mol +# Enthalpy of formation: -1075.402 kJ/mol + -analytic -10.40356E+0 00E+0 62.12147E+1 00E+0 00E+0 FeO(s) -FeO = +1.000Fe+2 -2.000H+ +1.000H2O - log_k +13.39 - delta_h -104.125 #kJ/mol +FeO = Fe+2 - 2 H+ + H2O + log_k 13.39 + delta_h -104.125 #kJ/mol # Enthalpy of formation: -272.000 kJ/mol 95ROB/HEM - -analytic -48.51917E-1 00.00000E+0 54.38828E+2 00.00000E+0 00.00000E+0 - -Vm 12.000 + -analytic -48.51917E-1 00E+0 54.38828E+2 00E+0 00E+0 + -Vm 12 Ferrihydrite(am) -Fe(OH)3 = +1.000Fe+3 -3.000H+ +3.000H2O - log_k +3.92 #21RIB/BEG from 04MAJ/NAV - -analytic 39.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Fe(OH)3 = Fe+3 - 3 H+ + 3 H2O + log_k 3.92 #21RIB/BEG from 04MAJ/NAV + -analytic 39.2E-1 00E+0 00E+0 00E+0 00E+0 Ferrihydrite(cr) -Fe(OH)3 = +1.000Fe+3 -3.000H+ +3.000H2O - log_k +1.22 #21RIB/BEG from 05GRI - -analytic 12.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Fe(OH)3 = Fe+3 - 3 H+ + 3 H2O + log_k 1.22 #21RIB/BEG from 05GRI + -analytic 12.2E-1 00E+0 00E+0 00E+0 00E+0 Ferrihydrite(s) -Fe(OH)3 = +1.000Fe+3 -3.000H+ +3.000H2O - log_k +2.78 #21RIB/BEG from 63SCH/MIC - -analytic 27.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Fe(OH)3 = Fe+3 - 3 H+ + 3 H2O + log_k 2.78 #21RIB/BEG from 63SCH/MIC + -analytic 27.8E-1 00E+0 00E+0 00E+0 00E+0 Ferroselite -FeSe2 = +1.000Fe+2 -2.000H+ -2.000e- +2.000HSe- - log_k -17.10 - delta_h +47.005 #kJ/mol +FeSe2 = Fe+2 - 2 H+ - 2 e- + 2 HSe- + log_k -17.1 + delta_h 47.005 #kJ/mol # Enthalpy of formation: -108.700 kJ/mol 05OLI/NOL - -analytic -88.65077E-1 00.00000E+0 -24.55242E+2 00.00000E+0 00.00000E+0 + -analytic -88.65077E-1 00E+0 -24.55242E+2 00E+0 00E+0 Ferrosilite -FeSiO3 = +1.000Fe+2 -2.000H+ +1.000H4(SiO4) -1.000H2O - log_k +32.71 #95TRO: CEA, N.T.SESD n° 95/49, L. TROTIGNON avril 1996; Critique et sélection de données thermodynamiques en vue de modéliser les équilibres minéral - solution, rapport annuel 1995 - -analytic 32.71000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +FeSiO3 = Fe+2 - 2 H+ + H4(SiO4) - H2O + log_k 32.71 #95TRO: CEA, N.T.SESD n° 95/49, L. TROTIGNON avril 1996; Critique et sélection de données thermodynamiques en vue de modéliser les équilibres minéral - solution, rapport annuel 1995 + -analytic 32.71E+0 00E+0 00E+0 00E+0 00E+0 FeS(am) -FeS = +1.000Fe+2 -1.000H+ +1.000HS- - log_k -2.95 #91DAV - -analytic -29.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +FeS = Fe+2 - H+ + HS- + log_k -2.95 #91DAV + -analytic -29.5E-1 00E+0 00E+0 00E+0 00E+0 Fluorapatite -Ca5F(PO4)3 = +5.000Ca+2 -6.000H+ +1.000F- +3.000H2(PO4)- - log_k -0.91 #74HAG - delta_h -115.603 #kJ/mol -# Enthalpy of formation: -6842.544 kJ/mol - -analytic -21.16278E+0 00.00000E+0 60.38365E+2 00.00000E+0 00.00000E+0 - -Vm 157.600 +Ca5F(PO4)3 = 5 Ca+2 - 6 H+ + F- + 3 H2(PO4)- + log_k -0.91 #74HAG + delta_h -115.603 #kJ/mol +# Enthalpy of formation: -6842.544 kJ/mol + -analytic -21.16278E+0 00E+0 60.38365E+2 00E+0 00E+0 + -Vm 157.6 Fluorite -CaF2 = +1.000Ca+2 +2.000F- - log_k -10.60 #96FAL/REA - delta_h +19.623 #kJ/mol 90NOR/PLU -# Enthalpy of formation: -1233.323 kJ/mol - -analytic -71.62198E-1 00.00000E+0 -10.24981E+2 00.00000E+0 00.00000E+0 - -Vm 24.540 +CaF2 = Ca+2 + 2 F- + log_k -10.6 #96FAL/REA + delta_h 19.623 #kJ/mol 90NOR/PLU +# Enthalpy of formation: -1233.323 kJ/mol + -analytic -71.62198E-1 00E+0 -10.24981E+2 00E+0 00E+0 + -Vm 24.54 Foshagite -Ca4Si3O9(OH)2:0.5H2O = +4.000Ca+2 -8.000H+ +3.000H4(SiO4) -0.500H2O - log_k +65.96 #10BLA/BOU1 - delta_h -380.237 #kJ/mol +Ca4Si3O9(OH)2:0.5H2O = 4 Ca+2 - 8 H+ + 3 H4(SiO4) - 0.5 H2O + log_k 65.96 #10BLA/BOU1 + delta_h -380.237 #kJ/mol # Enthalpy of formation: -6032.430 kJ/mol 56NEW - -analytic -65.46629E-2 00.00000E+0 19.86116E+3 00.00000E+0 00.00000E+0 - -Vm 160.660 + -analytic -65.46629E-2 00E+0 19.86116E+3 00E+0 00E+0 + -Vm 160.66 Friedel-salt -Ca4Al2(OH)12Cl2:4H2O = +4.000Ca+2 +2.000Al+3 -12.000H+ +2.000Cl- +16.000H2O - log_k +74.93 #10BLA/BOU2 - delta_h -486.200 #kJ/mol +Ca4Al2(OH)12Cl2:4H2O = 4 Ca+2 + 2 Al+3 - 12 H+ + 2 Cl- + 16 H2O + log_k 74.93 #10BLA/BOU2 + delta_h -486.2 #kJ/mol # Enthalpy of formation: -7670.040 kJ/mol 76HOU/STE - -analytic -10.24858E+0 00.00000E+0 25.39599E+3 00.00000E+0 00.00000E+0 - -Vm 276.240 + -analytic -10.24858E+0 00E+0 25.39599E+3 00E+0 00E+0 + -Vm 276.24 Galena -PbS = +1.000Pb+2 -1.000H+ +1.000HS- - log_k -14.84 - delta_h +82.940 #kJ/mol +PbS = Pb+2 - H+ + HS- + log_k -14.84 + delta_h 82.94 #kJ/mol # Enthalpy of formation: -98.320 kJ/mol 98CHA - -analytic -30.95357E-2 00.00000E+0 -43.32258E+2 00.00000E+0 00.00000E+0 + -analytic -30.95357E-2 00E+0 -43.32258E+2 00E+0 00E+0 Gaylussite -CaNa2(CO3)2:5H2O = +1.000Ca+2 +2.000Na+ +2.000CO3-2 +5.000H2O - log_k -9.43 #99KON/KON - delta_h +31.099 #kJ/mol -# Enthalpy of formation: -3834.387 kJ/mol - -analytic -39.81689E-1 00.00000E+0 -16.24414E+2 00.00000E+0 00.00000E+0 +CaNa2(CO3)2:5H2O = Ca+2 + 2 Na+ + 2 CO3-2 + 5 H2O + log_k -9.43 #99KON/KON + delta_h 31.099 #kJ/mol +# Enthalpy of formation: -3834.387 kJ/mol + -analytic -39.81689E-1 00E+0 -16.24414E+2 00E+0 00E+0 Gibbsite -Al(OH)3 = +1.000Al+3 -3.000H+ +3.000H2O - log_k +7.74 #95POK/HEL - delta_h -102.784 #kJ/mol -# Enthalpy of formation: -1293.105 kJ/mol - -analytic -10.26698E+0 00.00000E+0 53.68782E+2 00.00000E+0 00.00000E+0 - -Vm 31.960 +Al(OH)3 = Al+3 - 3 H+ + 3 H2O + log_k 7.74 #95POK/HEL + delta_h -102.784 #kJ/mol +# Enthalpy of formation: -1293.105 kJ/mol + -analytic -10.26698E+0 00E+0 53.68782E+2 00E+0 00E+0 + -Vm 31.96 Gismondine -Ca2Al4Si4O16:9H2O = +2.000Ca+2 +4.000Al+3 -16.000H+ +4.000H4(SiO4) +9.000H2O - log_k +38.97 - delta_h -477.046 #kJ/mol +Ca2Al4Si4O16:9H2O = 2 Ca+2 + 4 Al+3 - 16 H+ + 4 H4(SiO4) + 9 H2O + log_k 38.97 + delta_h -477.046 #kJ/mol # Enthalpy of formation: -11179.800kJ/mol 89CHE/RIM - -analytic -44.60487E+0 00.00000E+0 24.91785E+3 00.00000E+0 00.00000E+0 - -Vm 315.070 + -analytic -44.60487E+0 00E+0 24.91785E+3 00E+0 00E+0 + -Vm 315.07 Glaserite -Na2K6(SO4)4 = +6.000K+ +2.000Na+ +4.000SO4-2 - log_k -7.61 #80HAR/WEA - delta_h +78.360 #kJ/mol +Na2K6(SO4)4 = 6 K+ + 2 Na+ + 4 SO4-2 + log_k -7.61 #80HAR/WEA + delta_h 78.36 #kJ/mol # Enthalpy of formation: -5709.240 kJ/mol 80HAR/WEA - -analytic 61.18083E-1 00.00000E+0 -40.93028E+2 00.00000E+0 00.00000E+0 + -analytic 61.18083E-1 00E+0 -40.93028E+2 00E+0 00E+0 Glauberite -Na2Ca(SO4)2 = +1.000Ca+2 +2.000Na+ +2.000SO4-2 - log_k +1.97 #84HAR/MOL - delta_h -13.160 #kJ/mol +Na2Ca(SO4)2 = Ca+2 + 2 Na+ + 2 SO4-2 + log_k 1.97 #84HAR/MOL + delta_h -13.16 #kJ/mol # Enthalpy of formation: -2829.200 kJ/mol 82WAG/EVA - -analytic -33.55330E-2 00.00000E+0 68.73947E+1 00.00000E+0 00.00000E+0 + -analytic -33.5533E-2 00E+0 68.73947E+1 00E+0 00E+0 Glauconite -(K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 = +0.250Mg+2 +0.750K+ +1.250Fe+3 +0.250Fe+2 +0.500Al+3 -7.000H+ +3.750H4(SiO4) -3.000H2O - log_k +1.84 - delta_h -131.056 #kJ/mol +(K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 = 0.25 Mg+2 + 0.75 K+ + 1.25 Fe+3 + 0.25 Fe+2 + 0.5 Al+3 - 7 H+ + 3.75 H4(SiO4) - 3 H2O + log_k 1.84 + delta_h -131.056 #kJ/mol # Enthalpy of formation: -5151.130 kJ/mol 15BLA/VIE - -analytic -21.12003E+0 00.00000E+0 68.45532E+2 00.00000E+0 00.00000E+0 - -Vm 139.760 + -analytic -21.12003E+0 00E+0 68.45532E+2 00E+0 00E+0 + -Vm 139.76 Goethite -FeOOH = +1.000Fe+3 -3.000H+ +2.000H2O - log_k +0.17 - delta_h -61.256 #kJ/mol +FeOOH = Fe+3 - 3 H+ + 2 H2O + log_k 0.17 + delta_h -61.256 #kJ/mol # Enthalpy of formation: -560.460 kJ/mol 13LEM/BER - -analytic -10.56159E+0 00.00000E+0 31.99624E+2 00.00000E+0 00.00000E+0 - -Vm 20.820 + -analytic -10.56159E+0 00E+0 31.99624E+2 00E+0 00E+0 + -Vm 20.82 GR-Cl -Fe3Fe(OH)8Cl = +4.000Fe+2 -8.000H+ -1.000e- +1.000Cl- +8.000H2O - log_k +41.80 - -analytic 41.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Fe3Fe(OH)8Cl = 4 Fe+2 - 8 H+ - e- + Cl- + 8 H2O + log_k 41.8 + -analytic 41.8E+0 00E+0 00E+0 00E+0 00E+0 GR-CO3 -Fe4Fe2(OH)12CO3:2H2O = +6.000Fe+2 -12.000H+ -2.000e- +1.000CO3-2 +14.000H2O - log_k +55.50 - -analytic 55.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Fe4Fe2(OH)12CO3:2H2O = 6 Fe+2 - 12 H+ - 2 e- + CO3-2 + 14 H2O + log_k 55.5 + -analytic 55.5E+0 00E+0 00E+0 00E+0 00E+0 Greenalite -Fe3Si2O5(OH)4 = +3.000Fe+2 -6.000H+ +2.000H4(SiO4) +1.000H2O - log_k +21.82 - delta_h -178.103 #kJ/mol +Fe3Si2O5(OH)4 = 3 Fe+2 - 6 H+ + 2 H4(SiO4) + H2O + log_k 21.82 + delta_h -178.103 #kJ/mol # Enthalpy of formation: -3301.000 kJ/mol 83MIY/KLE - -analytic -93.82306E-1 00.00000E+0 93.02968E+2 00.00000E+0 00.00000E+0 - -Vm 115.000 + -analytic -93.82306E-1 00E+0 93.02968E+2 00E+0 00E+0 + -Vm 115 Greigite -Fe3S4 = +3.000Fe+2 -4.000H+ -2.000e- +4.000HS- - log_k -15.03 - -analytic -15.03000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Fe3S4 = 3 Fe+2 - 4 H+ - 2 e- + 4 HS- + log_k -15.03 + -analytic -15.03E+0 00E+0 00E+0 00E+0 00E+0 GR-SO4 -Fe4Fe2(OH)12SO4 = +6.000Fe+2 -12.000H+ -2.000e- +1.000SO4-2 +12.000H2O - log_k +58.30 - -analytic 58.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Fe4Fe2(OH)12SO4 = 6 Fe+2 - 12 H+ - 2 e- + SO4-2 + 12 H2O + log_k 58.3 + -analytic 58.3E+0 00E+0 00E+0 00E+0 00E+0 Gypsum -CaSO4:2H2O = +1.000Ca+2 +1.000SO4-2 +2.000H2O - log_k -4.61 - delta_h -1.050 #kJ/mol +CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O + log_k -4.61 + delta_h -1.05 #kJ/mol # Enthalpy of formation: -2022.950 kJ/mol 87GAR/PAR - -analytic -47.93952E-1 00.00000E+0 54.84532E+0 00.00000E+0 00.00000E+0 - -Vm 74.690 + -analytic -47.93952E-1 00E+0 54.84532E+0 00E+0 00E+0 + -Vm 74.69 Gyrolite -Ca2Si3O7.5(OH):2H2O = +2.000Ca+2 -4.000H+ +3.000H4(SiO4) -1.500H2O - log_k +22.34 #10BLA/BOU1 - delta_h -122.847 #kJ/mol +Ca2Si3O7.5(OH):2H2O = 2 Ca+2 - 4 H+ + 3 H4(SiO4) - 1.5 H2O + log_k 22.34 #10BLA/BOU1 + delta_h -122.847 #kJ/mol # Enthalpy of formation: -4917.990 kJ/mol 10BLA/BOU1 - -analytic 81.81294E-2 00.00000E+0 64.16746E+2 00.00000E+0 00.00000E+0 - -Vm 137.340 + -analytic 81.81294E-2 00E+0 64.16746E+2 00E+0 00E+0 + -Vm 137.34 H2MoO4(s) -H2MoO4 = +2.000H+ +1.000MoO4-2 - log_k -13.17 - delta_h +48.763 #kJ/mol -# Enthalpy of formation: -1045.763 kJ/mol - -analytic -46.27089E-1 00.00000E+0 -25.47069E+2 00.00000E+0 00.00000E+0 +H2MoO4 = 2 H+ + MoO4-2 + log_k -13.17 + delta_h 48.763 #kJ/mol +# Enthalpy of formation: -1045.763 kJ/mol + -analytic -46.27089E-1 00E+0 -25.47069E+2 00E+0 00E+0 H3Cit:H2O(cr) -H3Cit:H2O = +3.000H+ +1.000Cit-3 +1.000H2O - log_k -12.94 #05HUM/AND - delta_h +32.710 #kJ/mol 05HUM/AND -# Enthalpy of formation: -1838.460 kJ/mol - -analytic -72.09454E-1 00.00000E+0 -17.08562E+2 00.00000E+0 00.00000E+0 +H3Cit:H2O = 3 H+ + Cit-3 + H2O + log_k -12.94 #05HUM/AND + delta_h 32.71 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1838.460 kJ/mol + -analytic -72.09454E-1 00E+0 -17.08562E+2 00E+0 00E+0 H4Edta(cr) -H4Edta = +4.000H+ +1.000Edta-4 - log_k -27.22 #05HUM/AND - delta_h +55.000 #kJ/mol 05HUM/AND -# Enthalpy of formation: -1759.800 kJ/mol - -analytic -17.58441E+0 00.00000E+0 -28.72850E+2 00.00000E+0 00.00000E+0 +H4Edta = 4 H+ + Edta-4 + log_k -27.22 #05HUM/AND + delta_h 55 #kJ/mol 05HUM/AND +# Enthalpy of formation: -1759.800 kJ/mol + -analytic -17.58441E+0 00E+0 -28.7285E+2 00E+0 00E+0 Halite -NaCl = +1.000Na+ +1.000Cl- - log_k +1.59 - delta_h +3.700 #kJ/mol +NaCl = Na+ + Cl- + log_k 1.59 + delta_h 3.7 #kJ/mol # Enthalpy of formation: -411.120 kJ/mol 98CHA - -analytic 22.38212E-1 00.00000E+0 -19.32645E+1 00.00000E+0 00.00000E+0 - -Vm 27.020 + -analytic 22.38212E-1 00E+0 -19.32645E+1 00E+0 00E+0 + -Vm 27.02 Halloysite -Al2Si2O5(OH)4 = +2.000Al+3 -6.000H+ +2.000H4(SiO4) +1.000H2O - log_k +10.32 - delta_h -192.418 #kJ/mol +Al2Si2O5(OH)4 = 2 Al+3 - 6 H+ + 2 H4(SiO4) + H2O + log_k 10.32 + delta_h -192.418 #kJ/mol # Enthalpy of formation: -4092.600 kJ/mol 99DEL/NAV - -analytic -23.39019E+0 00.00000E+0 10.05069E+3 00.00000E+0 00.00000E+0 + -analytic -23.39019E+0 00E+0 10.05069E+3 00E+0 00E+0 Hausmannite -Mn3O4 = +3.000Mn+2 -8.000H+ -2.000e- +4.000H2O - log_k +61.32 #96FAL/REA - -analytic 61.32000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mn3O4 = 3 Mn+2 - 8 H+ - 2 e- + 4 H2O + log_k 61.32 #96FAL/REA + -analytic 61.32E+0 00E+0 00E+0 00E+0 00E+0 HBeidellite-Ca -Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O = +0.170Ca+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) +1.810H2O - log_k +2.09 - delta_h -160.492 #kJ/mol +Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O = 0.17 Ca+2 + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.81 H2O + log_k 2.09 + delta_h -160.492 #kJ/mol # Enthalpy of formation: -7056.996 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -26.02699E+0 00.00000E+0 83.83081E+2 00.00000E+0 00.00000E+0 - -Vm 214.550 + -analytic -26.02699E+0 00E+0 83.83081E+2 00E+0 00E+0 + -Vm 214.55 HBeidellite-K -K0.34Al2.34Si3.66O10(OH)2:1.96H2O = +0.340K+ +2.340Al+3 -7.360H+ +3.660H4(SiO4) -0.680H2O - log_k +2.22 - delta_h -167.142 #kJ/mol +K0.34Al2.34Si3.66O10(OH)2:1.96H2O = 0.34 K+ + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 0.68 H2O + log_k 2.22 + delta_h -167.142 #kJ/mol # Enthalpy of formation: -6332.047 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -27.06202E+0 00.00000E+0 87.30435E+2 00.00000E+0 00.00000E+0 - -Vm 168.650 + -analytic -27.06202E+0 00E+0 87.30435E+2 00E+0 00E+0 + -Vm 168.65 HBeidellite-Mg -Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O = +0.170Mg+2 +2.340Al+3 -7.360H+ +3.660H4(SiO4) +1.970H2O - log_k +2.21 - delta_h -159.892 #kJ/mol +Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O = 0.17 Mg+2 + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.97 H2O + log_k 2.21 + delta_h -159.892 #kJ/mol # Enthalpy of formation: -7090.409 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -25.80188E+0 00.00000E+0 83.51741E+2 00.00000E+0 00.00000E+0 - -Vm 212.610 + -analytic -25.80188E+0 00E+0 83.51741E+2 00E+0 00E+0 + -Vm 212.61 HBeidellite-Na -Na0.34Al2.34Si3.66O10(OH)2:3.84H2O = +0.340Na+ +2.340Al+3 -7.360H+ +3.660H4(SiO4) +1.200H2O - log_k +1.83 - delta_h -171.523 #kJ/mol +Na0.34Al2.34Si3.66O10(OH)2:3.84H2O = 0.34 Na+ + 2.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.2 H2O + log_k 1.83 + delta_h -171.523 #kJ/mol # Enthalpy of formation: -6861.015 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -28.21954E+0 00.00000E+0 89.59270E+2 00.00000E+0 00.00000E+0 - -Vm 201.940 + -analytic -28.21954E+0 00E+0 89.5927E+2 00E+0 00E+0 + -Vm 201.94 Heazlewoodite -Ni3S2 = +3.000Ni+2 -2.000H+ +2.000e- +2.000HS- - log_k -17.23 - delta_h +19.564 #kJ/mol +Ni3S2 = 3 Ni+2 - 2 H+ + 2 e- + 2 HS- + log_k -17.23 + delta_h 19.564 #kJ/mol # Enthalpy of formation: -217.200 kJ/mol 05GAM/BUG - -analytic -13.80253E+0 00.00000E+0 -10.21899E+2 00.00000E+0 00.00000E+0 + -analytic -13.80253E+0 00E+0 -10.21899E+2 00E+0 00E+0 Hematite(cr) -Fe2O3 = +2.000Fe+3 -6.000H+ +3.000H2O - log_k -0.83 #21RIB/BEG from 05GRI - delta_h -127.150 #kJ/mol -# Enthalpy of formation: -830.451 kJ/mol - -analytic -23.10572E+0 00.00000E+0 66.41507E+2 00.00000E+0 00.00000E+0 +Fe2O3 = 2 Fe+3 - 6 H+ + 3 H2O + log_k -0.83 #21RIB/BEG from 05GRI + delta_h -127.15 #kJ/mol +# Enthalpy of formation: -830.451 kJ/mol + -analytic -23.10572E+0 00E+0 66.41507E+2 00E+0 00E+0 Hematite(s) -Fe2O3 = +2.000Fe+3 -6.000H+ +3.000H2O - log_k -0.10 - delta_h -131.312 #kJ/mol +Fe2O3 = 2 Fe+3 - 6 H+ + 3 H2O + log_k -0.1 + delta_h -131.312 #kJ/mol # Enthalpy of formation: -826.290 kJ/mol 13LEM/BER - -analytic -23.10487E+0 00.00000E+0 68.58903E+2 00.00000E+0 00.00000E+0 - -Vm 30.270 + -analytic -23.10487E+0 00E+0 68.58903E+2 00E+0 00E+0 + -Vm 30.27 Hemicarboaluminate -Ca6O6:Al4O6:CaCO3:Ca(OH)2:21H2O = +8.000Ca+2 +4.000Al+3 -26.000H+ +1.000CO3-2 +35.000H2O - log_k +173.20 #07MAT/LOT1 - delta_h -1189.079 #kJ/mol -# Enthalpy of formation: -15987.789kJ/mol - -analytic -35.11770E+0 00.00000E+0 62.10992E+3 00.00000E+0 00.00000E+0 - -Vm 569.020 +Ca6O6:Al4O6:CaCO3:Ca(OH)2:21H2O = 8 Ca+2 + 4 Al+3 - 26 H+ + CO3-2 + 35 H2O + log_k 173.2 #07MAT/LOT1 + delta_h -1189.079 #kJ/mol +# Enthalpy of formation: -15987.789kJ/mol + -analytic -35.1177E+0 00E+0 62.10992E+3 00E+0 00E+0 + -Vm 569.02 Herzenbergite -SnS = +1.000Sn+2 -1.000H+ +1.000HS- - log_k -16.21 - delta_h +83.683 #kJ/mol +SnS = Sn+2 - H+ + HS- + log_k -16.21 + delta_h 83.683 #kJ/mol # Enthalpy of formation: -109.600 kJ/mol 12GAM/GAJ - -analytic -15.49368E-1 00.00000E+0 -43.71068E+2 00.00000E+0 00.00000E+0 + -analytic -15.49368E-1 00E+0 -43.71068E+2 00E+0 00E+0 Heulandite_Ca -Ca1.07Al2.14Si6.86O18:6.17H2O = +1.070Ca+2 +2.140Al+3 -8.560H+ +6.860H4(SiO4) -3.270H2O - log_k +2.46 #09BLA - delta_h -155.113 #kJ/mol +Ca1.07Al2.14Si6.86O18:6.17H2O = 1.07 Ca+2 + 2.14 Al+3 - 8.56 H+ + 6.86 H4(SiO4) - 3.27 H2O + log_k 2.46 #09BLA + delta_h -155.113 #kJ/mol # Enthalpy of formation: -10667.200kJ/mol 09BLA - -analytic -24.71463E+0 00.00000E+0 81.02116E+2 00.00000E+0 00.00000E+0 - -Vm 322.060 + -analytic -24.71463E+0 00E+0 81.02116E+2 00E+0 00E+0 + -Vm 322.06 Heulandite_Na -Na2.14Al2.14Si6.86O18:6.17H2O = +2.140Na+ +2.140Al+3 -8.560H+ +6.860H4(SiO4) -3.270H2O - log_k +2.80 #09BLA - delta_h -142.780 #kJ/mol +Na2.14Al2.14Si6.86O18:6.17H2O = 2.14 Na+ + 2.14 Al+3 - 8.56 H+ + 6.86 H4(SiO4) - 3.27 H2O + log_k 2.8 #09BLA + delta_h -142.78 #kJ/mol # Enthalpy of formation: -10612.850kJ/mol 09BLA - -analytic -22.21398E+0 00.00000E+0 74.57919E+2 00.00000E+0 00.00000E+0 - -Vm 325.000 + -analytic -22.21398E+0 00E+0 74.57919E+2 00E+0 00E+0 + -Vm 325 Hexahydrite -Mg(SO4):6H2O = +1.000Mg+2 +1.000SO4-2 +6.000H2O - log_k -1.64 #84HAR/MOL - delta_h -4.625 #kJ/mol -# Enthalpy of formation: -3086.692 kJ/mol - -analytic -24.50265E-1 00.00000E+0 24.15806E+1 00.00000E+0 00.00000E+0 +Mg(SO4):6H2O = Mg+2 + SO4-2 + 6 H2O + log_k -1.64 #84HAR/MOL + delta_h -4.625 #kJ/mol +# Enthalpy of formation: -3086.692 kJ/mol + -analytic -24.50265E-1 00E+0 24.15806E+1 00E+0 00E+0 Hf(cr) -Hf = +4.000e- +1.000Hf+4 - log_k +97.20 - delta_h -628.910 #kJ/mol +Hf = 4 e- + Hf+4 + log_k 97.2 + delta_h -628.91 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 79ROB/HEM - -analytic -12.98030E+0 00.00000E+0 32.85026E+3 00.00000E+0 00.00000E+0 + -analytic -12.9803E+0 00E+0 32.85026E+3 00E+0 00E+0 Hf(HPO4)2:H2O(s) -Hf(HPO4)2:H2O = -2.000H+ +2.000H2(PO4)- +1.000Hf+4 +1.000H2O - log_k -21.05 #25HEV/KIM recalculated; Uncertainty is by analogy with Zr(HPO4)2:H2O(s) and is preliminary. - delta_h -38.340 #kJ/mol +Hf(HPO4)2:H2O = -2 H+ + 2 H2(PO4)- + Hf+4 + H2O + log_k -21.05 #25HEV/KIM recalculated; Uncertainty is by analogy with Zr(HPO4)2:H2O(s) and is preliminary. + delta_h -38.34 #kJ/mol # Enthalpy of formation: -3481.600 kJ/mol 97KAR/CHE - -analytic -27.76688E+0 00.00000E+0 20.02638E+2 00.00000E+0 00.00000E+0 + -analytic -27.76688E+0 00E+0 20.02638E+2 00E+0 00E+0 HfO2(am) -HfO2 = -4.000H+ +1.000Hf+4 +2.000H2O - log_k +0.90 #01RAI/XIA - delta_h -98.870 #kJ/mol +HfO2 = -4 H+ + Hf+4 + 2 H2O + log_k 0.9 #01RAI/XIA + delta_h -98.87 #kJ/mol # Enthalpy of formation: -1101.700 kJ/mol 98KAR/CHE - -analytic -16.42128E+0 00.00000E+0 51.64340E+2 00.00000E+0 00.00000E+0 + -analytic -16.42128E+0 00E+0 51.6434E+2 00E+0 00E+0 HfO2(cr) -HfO2 = -4.000H+ +1.000Hf+4 +2.000H2O - log_k -5.62 - delta_h -82.940 #kJ/mol +HfO2 = -4 H+ + Hf+4 + 2 H2O + log_k -5.62 + delta_h -82.94 #kJ/mol # Enthalpy of formation: -1117.630 kJ/mol 75KOR/USH - -analytic -20.15046E+0 00.00000E+0 43.32258E+2 00.00000E+0 00.00000E+0 + -analytic -20.15046E+0 00E+0 43.32258E+2 00E+0 00E+0 Hg(l) -Hg = +2.000e- +1.000Hg+2 - log_k +28.85 - delta_h -170.210 #kJ/mol +Hg = 2 e- + Hg+2 + log_k 28.85 + delta_h -170.21 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic -96.95120E-2 00.00000E+0 88.90687E+2 00.00000E+0 00.00000E+0 + -analytic -96.9512E-2 00E+0 88.90687E+2 00E+0 00E+0 Hg2Cl2(s) -Hg2Cl2 = +2.000Cl- +1.000Hg2+2 - log_k -17.85 - delta_h +98.030 #kJ/mol +Hg2Cl2 = 2 Cl- + Hg2+2 + log_k -17.85 + delta_h 98.03 #kJ/mol # Enthalpy of formation: -265.370 kJ/mol 89COX/WAG - -analytic -67.58812E-2 00.00000E+0 -51.20464E+2 00.00000E+0 00.00000E+0 + -analytic -67.58812E-2 00E+0 -51.20464E+2 00E+0 00E+0 Hg3(PO4)2(s) -Hg3(PO4)2 = -4.000H+ +2.000H2(PO4)- +3.000Hg+2 - log_k -13.01 #05POW/BRO - -analytic -13.01000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Hg3(PO4)2 = -4 H+ + 2 H2(PO4)- + 3 Hg+2 + log_k -13.01 #05POW/BRO + -analytic -13.01E+0 00E+0 00E+0 00E+0 00E+0 HgCl2(s) -HgCl2 = +2.000Cl- +1.000Hg+2 - log_k -14.57 #74AND/CUM - -analytic -14.57000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +HgCl2 = 2 Cl- + Hg+2 + log_k -14.57 #74AND/CUM + -analytic -14.57E+0 00E+0 00E+0 00E+0 00E+0 HgCO3:2HgO(s) -HgCO3:2HgO = -4.000H+ +1.000CO3-2 +2.000H2O +3.000Hg+2 - log_k -11.48 #05POW/BRO - -analytic -11.48000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +HgCO3:2HgO = -4 H+ + CO3-2 + 2 H2O + 3 Hg+2 + log_k -11.48 #05POW/BRO + -analytic -11.48E+0 00E+0 00E+0 00E+0 00E+0 HgHPO4(s) -HgHPO4 = -1.000H+ +1.000H2(PO4)- +1.000Hg+2 - log_k -7.16 #05POW/BRO - -analytic -71.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +HgHPO4 = - H+ + H2(PO4)- + Hg+2 + log_k -7.16 #05POW/BRO + -analytic -71.6E-1 00E+0 00E+0 00E+0 00E+0 HgO(s) -HgO = -2.000H+ +1.000H2O +1.000Hg+2 - log_k +2.37 #05POW/BRO - delta_h -25.300 #kJ/mol 05POW/BRO -# Enthalpy of formation: -90.320 kJ/mol - -analytic -20.62370E-1 00.00000E+0 13.21511E+2 00.00000E+0 00.00000E+0 +HgO = -2 H+ + H2O + Hg+2 + log_k 2.37 #05POW/BRO + delta_h -25.3 #kJ/mol 05POW/BRO +# Enthalpy of formation: -90.320 kJ/mol + -analytic -20.6237E-1 00E+0 13.21511E+2 00E+0 00E+0 Hillebrandite -Ca2SiO3(OH)2:0.17H2O = +2.000Ca+2 -4.000H+ +1.000H4(SiO4) +1.170H2O - log_k +36.95 #10BLA/BOU1 - delta_h -219.135 #kJ/mol +Ca2SiO3(OH)2:0.17H2O = 2 Ca+2 - 4 H+ + H4(SiO4) + 1.17 H2O + log_k 36.95 #10BLA/BOU1 + delta_h -219.135 #kJ/mol # Enthalpy of formation: -2662.480 kJ/mol 56NEW - -analytic -14.40804E-1 00.00000E+0 11.44622E+3 00.00000E+0 00.00000E+0 - -Vm 72.580 + -analytic -14.40804E-1 00E+0 11.44622E+3 00E+0 00E+0 + -Vm 72.58 HMontmorillonite-BCCa -Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O = +0.170Ca+2 +0.340Mg+2 +1.660Al+3 -6.000H+ +4.000H4(SiO4) +0.450H2O - log_k +2.18 - delta_h -118.558 #kJ/mol +Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O = 0.17 Ca+2 + 0.34 Mg+2 + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) + 0.45 H2O + log_k 2.18 + delta_h -118.558 #kJ/mol # Enthalpy of formation: -6999.676 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -18.59047E+0 00.00000E+0 61.92716E+2 00.00000E+0 00.00000E+0 - -Vm 216.020 + -analytic -18.59047E+0 00E+0 61.92716E+2 00E+0 00E+0 + -Vm 216.02 HMontmorillonite-BCK -K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O = +0.340Mg+2 +0.340K+ +1.660Al+3 -6.000H+ +4.000H4(SiO4) -2.040H2O - log_k +2.07 - delta_h -123.827 #kJ/mol +K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O = 0.34 Mg+2 + 0.34 K+ + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) - 2.04 H2O + log_k 2.07 + delta_h -123.827 #kJ/mol # Enthalpy of formation: -6276.107 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -19.62356E+0 00.00000E+0 64.67935E+2 00.00000E+0 00.00000E+0 - -Vm 170.130 + -analytic -19.62356E+0 00E+0 64.67935E+2 00E+0 00E+0 + -Vm 170.13 HMontmorillonite-BCMg -Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O = +0.510Mg+2 +1.660Al+3 -6.000H+ +4.000H4(SiO4) +0.610H2O - log_k +2.33 - delta_h -118.107 #kJ/mol +Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O = 0.51 Mg+2 + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) + 0.61 H2O + log_k 2.33 + delta_h -118.107 #kJ/mol # Enthalpy of formation: -7032.939 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -18.36146E+0 00.00000E+0 61.69158E+2 00.00000E+0 00.00000E+0 - -Vm 214.080 + -analytic -18.36146E+0 00E+0 61.69158E+2 00E+0 00E+0 + -Vm 214.08 HMontmorillonite-BCNa -Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O = +0.340Mg+2 +0.340Na+ +1.660Al+3 -6.000H+ +4.000H4(SiO4) -0.160H2O - log_k +1.77 - delta_h -128.688 #kJ/mol +Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O = 0.34 Mg+2 + 0.34 Na+ + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) - 0.16 H2O + log_k 1.77 + delta_h -128.688 #kJ/mol # Enthalpy of formation: -6804.595 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -20.77517E+0 00.00000E+0 67.21842E+2 00.00000E+0 00.00000E+0 - -Vm 203.420 + -analytic -20.77517E+0 00E+0 67.21842E+2 00E+0 00E+0 + -Vm 203.42 HMontmorillonite-HCCa -Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O = +0.300Ca+2 +0.600Mg+2 +1.400Al+3 -6.000H+ +4.000H4(SiO4) +0.450H2O - log_k +6.15 - delta_h -134.134 #kJ/mol +Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O = 0.3 Ca+2 + 0.6 Mg+2 + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) + 0.45 H2O + log_k 6.15 + delta_h -134.134 #kJ/mol # Enthalpy of formation: -7036.126 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -17.34927E+0 00.00000E+0 70.06307E+2 00.00000E+0 00.00000E+0 - -Vm 220.760 + -analytic -17.34927E+0 00E+0 70.06307E+2 00E+0 00E+0 + -Vm 220.76 HMontmorillonite-HCK -K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O = +0.600Mg+2 +0.600K+ +1.400Al+3 -6.000H+ +4.000H4(SiO4) -2.040H2O - log_k +4.24 - delta_h -119.730 #kJ/mol +K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O = 0.6 Mg+2 + 0.6 K+ + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) - 2.04 H2O + log_k 4.24 + delta_h -119.73 #kJ/mol # Enthalpy of formation: -6327.197 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -16.73580E+0 00.00000E+0 62.53933E+2 00.00000E+0 00.00000E+0 - -Vm 174.180 + -analytic -16.7358E+0 00E+0 62.53933E+2 00E+0 00E+0 + -Vm 174.18 HMontmorillonite-HCMg -Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O = +0.900Mg+2 +1.400Al+3 -6.000H+ +4.000H4(SiO4) +0.610H2O - log_k +6.47 - delta_h -133.713 #kJ/mol +Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O = 0.9 Mg+2 + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) + 0.61 H2O + log_k 6.47 + delta_h -133.713 #kJ/mol # Enthalpy of formation: -7059.479 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -16.95551E+0 00.00000E+0 69.84316E+2 00.00000E+0 00.00000E+0 - -Vm 215.180 + -analytic -16.95551E+0 00E+0 69.84316E+2 00E+0 00E+0 + -Vm 215.18 HMontmorillonite-HCNa -Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O = +0.600Mg+2 +0.600Na+ +1.400Al+3 -6.000H+ +4.000H4(SiO4) -0.160H2O - log_k +4.54 - delta_h -132.492 #kJ/mol +Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O = 0.6 Mg+2 + 0.6 Na+ + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) - 0.16 H2O + log_k 4.54 + delta_h -132.492 #kJ/mol # Enthalpy of formation: -6844.715 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -18.67160E+0 00.00000E+0 69.20539E+2 00.00000E+0 00.00000E+0 - -Vm 206.920 + -analytic -18.6716E+0 00E+0 69.20539E+2 00E+0 00E+0 + -Vm 206.92 HNontronite-Ca -Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O = +0.170Ca+2 +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) +1.810H2O - log_k -2.89 - delta_h -111.618 #kJ/mol +Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O = 0.17 Ca+2 + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.81 H2O + log_k -2.89 + delta_h -111.618 #kJ/mol # Enthalpy of formation: -6290.336 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -22.44463E+0 00.00000E+0 58.30214E+2 00.00000E+0 00.00000E+0 - -Vm 214.180 + -analytic -22.44463E+0 00E+0 58.30214E+2 00E+0 00E+0 + -Vm 214.18 HNontronite-K -K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O = +0.340K+ +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) -0.680H2O - log_k +0.38 - delta_h -118.278 #kJ/mol +K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O = 0.34 K+ + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 0.68 H2O + log_k 0.38 + delta_h -118.278 #kJ/mol # Enthalpy of formation: -5565.377 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -20.34142E+0 00.00000E+0 61.78090E+2 00.00000E+0 00.00000E+0 - -Vm 168.280 + -analytic -20.34142E+0 00E+0 61.7809E+2 00E+0 00E+0 + -Vm 168.28 HNontronite-Mg -Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O = +0.170Mg+2 +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) +1.970H2O - log_k -2.59 - delta_h -111.018 #kJ/mol +Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O = 0.17 Mg+2 + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.97 H2O + log_k -2.59 + delta_h -111.018 #kJ/mol # Enthalpy of formation: -6323.749 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -22.03952E+0 00.00000E+0 57.98874E+2 00.00000E+0 00.00000E+0 - -Vm 212.670 + -analytic -22.03952E+0 00E+0 57.98874E+2 00E+0 00E+0 + -Vm 212.67 HNontronite-Na -Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O = +0.340Na+ +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) +1.200H2O - log_k -3.14 - delta_h -122.648 #kJ/mol +Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O = 0.34 Na+ + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.2 H2O + log_k -3.14 + delta_h -122.648 #kJ/mol # Enthalpy of formation: -6094.355 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -24.62701E+0 00.00000E+0 64.06351E+2 00.00000E+0 00.00000E+0 - -Vm 201.570 + -analytic -24.62701E+0 00E+0 64.06351E+2 00E+0 00E+0 + -Vm 201.57 Ho(cr) -Ho = +1.000Ho+3 +3.000e- - log_k +118.31 - delta_h -707.042 #kJ/mol +Ho = Ho+3 + 3 e- + log_k 118.31 + delta_h -707.042 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 82WAG/EVA - -analytic -55.58441E-1 00.00000E+0 36.93138E+3 00.00000E+0 00.00000E+0 + -analytic -55.58441E-1 00E+0 36.93138E+3 00E+0 00E+0 Ho(OH)3(am) -Ho(OH)3 = -3.000H+ +1.000Ho+3 +3.000H2O - log_k +17.48 #98DIA/RAG - -analytic 17.48000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ho(OH)3 = -3 H+ + Ho+3 + 3 H2O + log_k 17.48 #98DIA/RAG + -analytic 17.48E+0 00E+0 00E+0 00E+0 00E+0 Ho(OH)3(s) -Ho(OH)3 = -3.000H+ +1.000Ho+3 +3.000H2O - log_k +15.43 #98DIA/RAG - -analytic 15.43000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ho(OH)3 = -3 H+ + Ho+3 + 3 H2O + log_k 15.43 #98DIA/RAG + -analytic 15.43E+0 00E+0 00E+0 00E+0 00E+0 Ho(PO4):xH2O(s) -Ho(PO4) = -2.000H+ +1.000Ho+3 +1.000H2(PO4)- - log_k -4.64 #95SPA/BRU - -analytic -46.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ho(PO4) = -2 H+ + Ho+3 + H2(PO4)- + log_k -4.64 #95SPA/BRU + -analytic -46.4E-1 00E+0 00E+0 00E+0 00E+0 Ho2(CO3)3(s) -Ho2(CO3)3 = +2.000Ho+3 +3.000CO3-2 - log_k -33.80 #95SPA/BRU - -analytic -33.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ho2(CO3)3 = 2 Ho+3 + 3 CO3-2 + log_k -33.8 #95SPA/BRU + -analytic -33.8E+0 00E+0 00E+0 00E+0 00E+0 Ho2O3(s) -Ho2O3 = -6.000H+ +2.000Ho+3 +3.000H2O - log_k +47.41 - delta_h -390.706 #kJ/mol -# Enthalpy of formation: -1880.868 kJ/mol - -analytic -21.03875E+0 00.00000E+0 20.40800E+3 00.00000E+0 00.00000E+0 +Ho2O3 = -6 H+ + 2 Ho+3 + 3 H2O + log_k 47.41 + delta_h -390.706 #kJ/mol +# Enthalpy of formation: -1880.868 kJ/mol + -analytic -21.03875E+0 00E+0 20.408E+3 00E+0 00E+0 HoCl3:6H2O(s) -HoCl3:6H2O = +1.000Ho+3 +3.000Cl- +6.000H2O - log_k +5.39 #95SPA/BRU - delta_h -43.846 #kJ/mol -# Enthalpy of formation: -2879.413 kJ/mol - -analytic -22.91489E-1 00.00000E+0 22.90236E+2 00.00000E+0 00.00000E+0 +HoCl3:6H2O = Ho+3 + 3 Cl- + 6 H2O + log_k 5.39 #95SPA/BRU + delta_h -43.846 #kJ/mol +# Enthalpy of formation: -2879.413 kJ/mol + -analytic -22.91489E-1 00E+0 22.90236E+2 00E+0 00E+0 HoF3:0.5H2O(s) -HoF3:0.5H2O = +1.000Ho+3 +3.000F- +0.500H2O - log_k -16.40 #95SPA/BRU - delta_h -149.007 #kJ/mol +HoF3:0.5H2O = Ho+3 + 3 F- + 0.5 H2O + log_k -16.4 #95SPA/BRU + delta_h -149.007 #kJ/mol # Enthalpy of formation: -1707.000 kJ/mol 82WAG/EVA - -analytic -42.50491E+0 00.00000E+0 77.83178E+2 00.00000E+0 00.00000E+0 + -analytic -42.50491E+0 00E+0 77.83178E+2 00E+0 00E+0 HoPO4:H2O(cr) -HoPO4:H2O = -2.000H+ +1.000Ho+3 +1.000H2(PO4)- +1.000H2O - log_k -5.56 #97LIU/BYR - -analytic -55.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +HoPO4:H2O = -2 H+ + Ho+3 + H2(PO4)- + H2O + log_k -5.56 #97LIU/BYR + -analytic -55.6E-1 00E+0 00E+0 00E+0 00E+0 HSaponite-Ca -Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O = +0.170Ca+2 +3.000Mg+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +1.810H2O - log_k +28.36 - delta_h -239.662 #kJ/mol +Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O = 0.17 Ca+2 + 3 Mg+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.81 H2O + log_k 28.36 + delta_h -239.662 #kJ/mol # Enthalpy of formation: -7302.026 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -13.62698E+0 00.00000E+0 12.51842E+3 00.00000E+0 00.00000E+0 - -Vm 223.010 + -analytic -13.62698E+0 00E+0 12.51842E+3 00E+0 00E+0 + -Vm 223.01 HSaponite-FeCa -Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O = +0.170Ca+2 +2.000Mg+2 +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +1.810H2O - log_k +27.97 - delta_h -235.847 #kJ/mol +Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O = 0.17 Ca+2 + 2 Mg+2 + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.81 H2O + log_k 27.97 + delta_h -235.847 #kJ/mol # Enthalpy of formation: -6929.136 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -13.34862E+0 00.00000E+0 12.31915E+3 00.00000E+0 00.00000E+0 - -Vm 225.590 + -analytic -13.34862E+0 00E+0 12.31915E+3 00E+0 00E+0 + -Vm 225.59 HSaponite-FeK -K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O = +2.000Mg+2 +0.340K+ +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -0.680H2O - log_k +28.11 - delta_h -242.507 #kJ/mol +K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O = 2 Mg+2 + 0.34 K+ + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 0.68 H2O + log_k 28.11 + delta_h -242.507 #kJ/mol # Enthalpy of formation: -6204.177 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -14.37540E+0 00.00000E+0 12.66702E+3 00.00000E+0 00.00000E+0 - -Vm 179.690 + -analytic -14.3754E+0 00E+0 12.66702E+3 00E+0 00E+0 + -Vm 179.69 HSaponite-FeMg -Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O = +2.170Mg+2 +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +1.970H2O - log_k +28.07 - delta_h -235.257 #kJ/mol +Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O = 2.17 Mg+2 + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.97 H2O + log_k 28.07 + delta_h -235.257 #kJ/mol # Enthalpy of formation: -6962.539 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -13.14526E+0 00.00000E+0 12.28833E+3 00.00000E+0 00.00000E+0 - -Vm 223.850 + -analytic -13.14526E+0 00E+0 12.28833E+3 00E+0 00E+0 + -Vm 223.85 HSaponite-FeNa -Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O = +2.000Mg+2 +0.340Na+ +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +1.200H2O - log_k +27.72 - delta_h -246.878 #kJ/mol +Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O = 2 Mg+2 + 0.34 Na+ + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.2 H2O + log_k 27.72 + delta_h -246.878 #kJ/mol # Enthalpy of formation: -6733.155 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -15.53117E+0 00.00000E+0 12.89534E+3 00.00000E+0 00.00000E+0 - -Vm 212.990 + -analytic -15.53117E+0 00E+0 12.89534E+3 00E+0 00E+0 + -Vm 212.99 HSaponite-K -K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O = +3.000Mg+2 +0.340K+ +0.340Al+3 -7.360H+ +3.660H4(SiO4) -0.680H2O - log_k +28.49 - delta_h -246.322 #kJ/mol +K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O = 3 Mg+2 + 0.34 K+ + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 0.68 H2O + log_k 28.49 + delta_h -246.322 #kJ/mol # Enthalpy of formation: -6577.067 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -14.66376E+0 00.00000E+0 12.86629E+3 00.00000E+0 00.00000E+0 - -Vm 177.110 + -analytic -14.66376E+0 00E+0 12.86629E+3 00E+0 00E+0 + -Vm 177.11 HSaponite-Mg -Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O = +3.170Mg+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) +1.970H2O - log_k +28.48 - delta_h -239.062 #kJ/mol +Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O = 3.17 Mg+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.97 H2O + log_k 28.48 + delta_h -239.062 #kJ/mol # Enthalpy of formation: -7335.439 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -13.40186E+0 00.00000E+0 12.48708E+3 00.00000E+0 00.00000E+0 - -Vm 221.080 + -analytic -13.40186E+0 00E+0 12.48708E+3 00E+0 00E+0 + -Vm 221.08 HSaponite-Na -Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O = +3.000Mg+2 +0.340Na+ +0.340Al+3 -7.360H+ +3.660H4(SiO4) +1.200H2O - log_k +28.03 - delta_h -250.288 #kJ/mol +Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O = 3 Mg+2 + 0.34 Na+ + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) + 1.2 H2O + log_k 28.03 + delta_h -250.288 #kJ/mol # Enthalpy of formation: -7106.450 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -15.81858E+0 00.00000E+0 13.07345E+3 00.00000E+0 00.00000E+0 - -Vm 210.400 + -analytic -15.81858E+0 00E+0 13.07345E+3 00E+0 00E+0 + -Vm 210.4 HVermiculite-Ca -Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:4.45H2O = +0.430Ca+2 +3.000Mg+2 +0.860Al+3 -9.440H+ +3.140H4(SiO4) +3.890H2O - log_k +97.82 - delta_h -683.046 #kJ/mol +Ca0.43Mg3Si3.14Al0.86O10(OH)2:4.45H2O = 0.43 Ca+2 + 3 Mg+2 + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) + 3.89 H2O + log_k 97.82 + delta_h -683.046 #kJ/mol # Enthalpy of formation: -7114.496 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -21.84452E+0 00.00000E+0 35.67798E+3 00.00000E+0 00.00000E+0 - -Vm 219.360 + -analytic -21.84452E+0 00E+0 35.67798E+3 00E+0 00E+0 + -Vm 219.36 HVermiculite-K -K0.86Mg3.00Si3.14Al0.86O10(OH)2:1.96H2O = +3.000Mg+2 +0.860K+ +0.860Al+3 -9.440H+ +3.140H4(SiO4) +1.400H2O - log_k +87.68 - delta_h -609.749 #kJ/mol +K0.86Mg3Si3.14Al0.86O10(OH)2:1.96H2O = 3 Mg+2 + 0.86 K+ + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) + 1.4 H2O + log_k 87.68 + delta_h -609.749 #kJ/mol # Enthalpy of formation: -6459.427 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -19.14344E+0 00.00000E+0 31.84941E+3 00.00000E+0 00.00000E+0 - -Vm 175.490 + -analytic -19.14344E+0 00E+0 31.84941E+3 00E+0 00E+0 + -Vm 175.49 HVermiculite-Mg -Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:4.61H2O = +3.430Mg+2 +0.860Al+3 -9.440H+ +3.140H4(SiO4) +4.050H2O - log_k +68.18 - delta_h -523.376 #kJ/mol +Mg0.43Mg3Si3.14Al0.86O10(OH)2:4.61H2O = 3.43 Mg+2 + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) + 4.05 H2O + log_k 68.18 + delta_h -523.376 #kJ/mol # Enthalpy of formation: -7287.219 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -23.51154E+0 00.00000E+0 27.33783E+3 00.00000E+0 00.00000E+0 - -Vm 222.240 + -analytic -23.51154E+0 00E+0 27.33783E+3 00E+0 00E+0 + -Vm 222.24 HVermiculite-Na -Na0.86Mg3.00Si3.14Al0.86O10(OH)2:3.84H2O = +3.000Mg+2 +0.860Na+ +0.860Al+3 -9.440H+ +3.140H4(SiO4) +3.280H2O - log_k +96.52 - delta_h -673.353 #kJ/mol +Na0.86Mg3Si3.14Al0.86O10(OH)2:3.84H2O = 3 Mg+2 + 0.86 Na+ + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) + 3.28 H2O + log_k 96.52 + delta_h -673.353 #kJ/mol # Enthalpy of formation: -6923.035 kJ/mol 13BLA/VI; 11VIE/BLA - -analytic -21.44638E+0 00.00000E+0 35.17168E+3 00.00000E+0 00.00000E+0 - -Vm 210.120 + -analytic -21.44638E+0 00E+0 35.17168E+3 00E+0 00E+0 + -Vm 210.12 Hydrocerussite -Pb3(CO3)2(OH)2 = +3.000Pb+2 -2.000H+ +2.000CO3-2 +2.000H2O - log_k -17.91 - delta_h -5.160 #kJ/mol +Pb3(CO3)2(OH)2 = 3 Pb+2 - 2 H+ + 2 CO3-2 + 2 H2O + log_k -17.91 + delta_h -5.16 #kJ/mol # Enthalpy of formation: -1914.200 kJ/mol 83SAN/BAR - -analytic -18.81399E+0 00.00000E+0 26.95256E+1 00.00000E+0 00.00000E+0 + -analytic -18.81399E+0 00E+0 26.95256E+1 00E+0 00E+0 Hydrophilite -CaCl2 = +1.000Ca+2 +2.000Cl- - log_k +11.77 - delta_h -81.360 #kJ/mol +CaCl2 = Ca+2 + 2 Cl- + log_k 11.77 + delta_h -81.36 #kJ/mol # Enthalpy of formation: -795.800 kJ/mol 98CHA - -analytic -24.83660E-1 00.00000E+0 42.49729E+2 00.00000E+0 00.00000E+0 + -analytic -24.8366E-1 00E+0 42.49729E+2 00E+0 00E+0 Hydrotalcite -Mg4Al2(OH)14:3H2O = +4.000Mg+2 +2.000Al+3 -14.000H+ +17.000H2O - log_k +73.74 #92ATK/GLA - delta_h -584.220 #kJ/mol -# Enthalpy of formation: -7219.684 kJ/mol - -analytic -28.61095E+0 00.00000E+0 30.51594E+3 00.00000E+0 00.00000E+0 - -Vm 227.360 +Mg4Al2(OH)14:3H2O = 4 Mg+2 + 2 Al+3 - 14 H+ + 17 H2O + log_k 73.74 #92ATK/GLA + delta_h -584.22 #kJ/mol +# Enthalpy of formation: -7219.684 kJ/mol + -analytic -28.61095E+0 00E+0 30.51594E+3 00E+0 00E+0 + -Vm 227.36 Hydrotalcite-CO3 -Mg4Al2(OH)12CO3:2H2O = +4.000Mg+2 +2.000Al+3 -12.000H+ +1.000CO3-2 +14.000H2O - log_k +50.86 #03JOH/GLA - delta_h -542.756 #kJ/mol -# Enthalpy of formation: -7078.889 kJ/mol - -analytic -44.22677E+0 00.00000E+0 28.35012E+3 00.00000E+0 00.00000E+0 - -Vm 231.460 +Mg4Al2(OH)12CO3:2H2O = 4 Mg+2 + 2 Al+3 - 12 H+ + CO3-2 + 14 H2O + log_k 50.86 #03JOH/GLA + delta_h -542.756 #kJ/mol +# Enthalpy of formation: -7078.889 kJ/mol + -analytic -44.22677E+0 00E+0 28.35012E+3 00E+0 00E+0 + -Vm 231.46 Hydroxyapatite -Ca5(OH)(PO4)3 = +5.000Ca+2 -7.000H+ +3.000H2(PO4)- +1.000H2O - log_k +14.35 #84NAN - delta_h -178.487 #kJ/mol -# Enthalpy of formation: -6730.141 kJ/mol - -analytic -16.91958E+0 00.00000E+0 93.23025E+2 00.00000E+0 00.00000E+0 - -Vm 159.600 +Ca5(OH)(PO4)3 = 5 Ca+2 - 7 H+ + 3 H2(PO4)- + H2O + log_k 14.35 #84NAN + delta_h -178.487 #kJ/mol +# Enthalpy of formation: -6730.141 kJ/mol + -analytic -16.91958E+0 00E+0 93.23025E+2 00E+0 00E+0 + -Vm 159.6 I2(cr) -I2 = -2.000e- +2.000I- - log_k +18.12 - delta_h -113.560 #kJ/mol +I2 = -2 e- + 2 I- + log_k 18.12 + delta_h -113.56 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic -17.74858E-1 00.00000E+0 59.31652E+2 00.00000E+0 00.00000E+0 + -analytic -17.74858E-1 00E+0 59.31652E+2 00E+0 00E+0 Illite/smectite ISCz-1 -(Ca0.092K0.439)(Si3.559Al0.441)(Al1.728Fe0.011Fe0.034Mg0.255)O10(OH)2 = +0.092Ca+2 +0.255Mg+2 +0.439K+ +0.034Fe+3 +0.011Fe+2 +2.169Al+3 -7.764H+ +3.559H4(SiO4) -2.236H2O - log_k +10.89 - delta_h -224.089 #kJ/mol +(Ca0.092K0.439)(Si3.559Al0.441)(Al1.728Fe0.011Fe0.034Mg0.255)O10(OH)2 = 0.092 Ca+2 + 0.255 Mg+2 + 0.439 K+ + 0.034 Fe+3 + 0.011 Fe+2 + 2.169 Al+3 - 7.764 H+ + 3.559 H4(SiO4) - 2.236 H2O + log_k 10.89 + delta_h -224.089 #kJ/mol # Enthalpy of formation: -5787.400 kJ/mol 14BLA/GAI - -analytic -28.36871E+0 00.00000E+0 11.70498E+3 00.00000E+0 00.00000E+0 - -Vm 137.130 + -analytic -28.36871E+0 00E+0 11.70498E+3 00E+0 00E+0 + -Vm 137.13 Illite_Imt-2 -(Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2 = +0.241Mg+2 +0.762K+ +0.044Na+ +0.292Fe+3 +0.084Fe+2 +2.040Al+3 -8.452H+ +3.387H4(SiO4) -1.548H2O - log_k +11.52 - delta_h -231.139 #kJ/mol +(Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2 = 0.241 Mg+2 + 0.762 K+ + 0.044 Na+ + 0.292 Fe+3 + 0.084 Fe+2 + 2.04 Al+3 - 8.452 H+ + 3.387 H4(SiO4) - 1.548 H2O + log_k 11.52 + delta_h -231.139 #kJ/mol # Enthalpy of formation: -5711.250 kJ/mol 12GAI/BLA - -analytic -28.97381E+0 00.00000E+0 12.07323E+3 00.00000E+0 00.00000E+0 - -Vm 139.180 + -analytic -28.97381E+0 00E+0 12.07323E+3 00E+0 00E+0 + -Vm 139.18 Illite-Al -K0.85Al2.85Si3.15O10(OH)2 = +0.850K+ +2.850Al+3 -9.400H+ +3.150H4(SiO4) -0.600H2O - log_k +13.02 - delta_h -266.372 #kJ/mol +K0.85Al2.85Si3.15O10(OH)2 = 0.85 K+ + 2.85 Al+3 - 9.4 H+ + 3.15 H4(SiO4) - 0.6 H2O + log_k 13.02 + delta_h -266.372 #kJ/mol # Enthalpy of formation: -5913.650 kJ/mol 15BLA/VIE - -analytic -33.64637E+0 00.00000E+0 13.91358E+3 00.00000E+0 00.00000E+0 - -Vm 138.980 + -analytic -33.64637E+0 00E+0 13.91358E+3 00E+0 00E+0 + -Vm 138.98 Illite-FeII -K0.85Fe0.25Al2.35Si3.4O10(OH)2 = +0.850K+ +0.250Fe+2 +2.350Al+3 -8.400H+ +3.400H4(SiO4) -1.600H2O - log_k +9.46 - delta_h -216.574 #kJ/mol +K0.85Fe0.25Al2.35Si3.4O10(OH)2 = 0.85 K+ + 0.25 Fe+2 + 2.35 Al+3 - 8.4 H+ + 3.4 H4(SiO4) - 1.6 H2O + log_k 9.46 + delta_h -216.574 #kJ/mol # Enthalpy of formation: -5796.290 kJ/mol 15BLA/VIE - -analytic -28.48214E+0 00.00000E+0 11.31245E+3 00.00000E+0 00.00000E+0 - -Vm 140.670 + -analytic -28.48214E+0 00E+0 11.31245E+3 00E+0 00E+0 + -Vm 140.67 Illite-FeIII -K0.85Fe0.25Al2.6Si3.15O10(OH)2 = +0.850K+ +0.250Fe+3 +2.600Al+3 -9.400H+ +3.150H4(SiO4) -0.600H2O - log_k +12.36 - delta_h -262.546 #kJ/mol +K0.85Fe0.25Al2.6Si3.15O10(OH)2 = 0.85 K+ + 0.25 Fe+3 + 2.6 Al+3 - 9.4 H+ + 3.15 H4(SiO4) - 0.6 H2O + log_k 12.36 + delta_h -262.546 #kJ/mol # Enthalpy of formation: -5795.390 kJ/mol 15BLA/VIE - -analytic -33.63608E+0 00.00000E+0 13.71373E+3 00.00000E+0 00.00000E+0 - -Vm 138.920 + -analytic -33.63608E+0 00E+0 13.71373E+3 00E+0 00E+0 + -Vm 138.92 Illite-Mg -K0.85Mg0.25Al2.35Si3.4O10(OH)2 = +0.250Mg+2 +0.850K+ +2.350Al+3 -8.400H+ +3.400H4(SiO4) -1.600H2O - log_k +11.01 - delta_h -225.651 #kJ/mol +K0.85Mg0.25Al2.35Si3.4O10(OH)2 = 0.25 Mg+2 + 0.85 K+ + 2.35 Al+3 - 8.4 H+ + 3.4 H4(SiO4) - 1.6 H2O + log_k 11.01 + delta_h -225.651 #kJ/mol # Enthalpy of formation: -5881.390 kJ/mol 15BLA/VIE - -analytic -28.52236E+0 00.00000E+0 11.78657E+3 00.00000E+0 00.00000E+0 - -Vm 140.060 + -analytic -28.52236E+0 00E+0 11.78657E+3 00E+0 00E+0 + -Vm 140.06 Illite-Smec_ISCz-1(2.996H2O) -(Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.996H2O = +0.218Mg+2 +0.530K+ +0.134Na+ +0.050Fe+3 +0.017Fe+2 +2.152Al+3 -7.740H+ +3.565H4(SiO4) +0.736H2O - log_k +13.61 - delta_h -225.228 #kJ/mol +(Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.996H2O = 0.218 Mg+2 + 0.53 K+ + 0.134 Na+ + 0.05 Fe+3 + 0.017 Fe+2 + 2.152 Al+3 - 7.74 H+ + 3.565 H4(SiO4) + 0.736 H2O + log_k 13.61 + delta_h -225.228 #kJ/mol # Enthalpy of formation: -6624.620 kJ/mol 09GAI - -analytic -25.84825E+0 00.00000E+0 11.76448E+3 00.00000E+0 00.00000E+0 - -Vm 192.420 + -analytic -25.84825E+0 00E+0 11.76448E+3 00E+0 00E+0 + -Vm 192.42 Jaffeite -Ca6(Si2O7)(OH)6 = +6.000Ca+2 -12.000H+ +2.000H4(SiO4) +5.000H2O - log_k +114.06 - delta_h -636.768 #kJ/mol +Ca6(Si2O7)(OH)6 = 6 Ca+2 - 12 H+ + 2 H4(SiO4) + 5 H2O + log_k 114.06 + delta_h -636.768 #kJ/mol # Enthalpy of formation: -6972.770 kJ/mol 10BLA/BOU1 - -analytic 25.03035E-1 00.00000E+0 33.26071E+3 00.00000E+0 00.00000E+0 - -Vm 174.380 + -analytic 25.03035E-1 00E+0 33.26071E+3 00E+0 00E+0 + -Vm 174.38 Jennite -Ca9Si6O16(OH)10:6H2O = +9.000Ca+2 -18.000H+ +6.000H4(SiO4) +8.000H2O - log_k +147.33 #10BLA/BOU1 - delta_h -751.764 #kJ/mol +Ca9Si6O16(OH)10:6H2O = 9 Ca+2 - 18 H+ + 6 H4(SiO4) + 8 H2O + log_k 147.33 #10BLA/BOU1 + delta_h -751.764 #kJ/mol # Enthalpy of formation: -15189.040kJ/mol 10BLA/BOU1 - -analytic 15.62660E+0 00.00000E+0 39.26737E+3 00.00000E+0 00.00000E+0 - -Vm 456.400 + -analytic 15.6266E+0 00E+0 39.26737E+3 00E+0 00E+0 + -Vm 456.4 K(cr) -K = +1.000K+ +1.000e- - log_k +49.49 - delta_h -252.140 #kJ/mol +K = K+ + e- + log_k 49.49 + delta_h -252.14 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic 53.16968E-1 00.00000E+0 13.17019E+3 00.00000E+0 00.00000E+0 + -analytic 53.16968E-1 00E+0 13.17019E+3 00E+0 00E+0 K(NO3)(s) -K(NO3) = +1.000K+ +1.000NO3- - log_k -0.10 #96FAL/REA - -analytic -10.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +K(NO3) = K+ + NO3- + log_k -0.1 #96FAL/REA + -analytic -10E-2 00E+0 00E+0 00E+0 00E+0 K(OH)(s) -K(OH) = +1.000K+ -1.000H+ +1.000H2O - log_k +24.60 #96FAL/REA - -analytic 24.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +K(OH) = K+ - H+ + H2O + log_k 24.6 #96FAL/REA + -analytic 24.6E+0 00E+0 00E+0 00E+0 00E+0 K2CO3(cr) -K2CO3 = +2.000K+ +1.000CO3-2 - log_k +5.41 - delta_h -31.798 #kJ/mol 74NAU/RYZ -# Enthalpy of formation: -1147.712 kJ/mol - -analytic -16.07705E-2 00.00000E+0 16.60925E+2 00.00000E+0 00.00000E+0 +K2CO3 = 2 K+ + CO3-2 + log_k 5.41 + delta_h -31.798 #kJ/mol 74NAU/RYZ +# Enthalpy of formation: -1147.712 kJ/mol + -analytic -16.07705E-2 00E+0 16.60925E+2 00E+0 00E+0 K2O(s) -K2O = +2.000K+ -2.000H+ +1.000H2O - log_k +84.11 - delta_h -426.940 #kJ/mol +K2O = 2 K+ - 2 H+ + H2O + log_k 84.11 + delta_h -426.94 #kJ/mol # Enthalpy of formation: -363.170 kJ/mol 98CHA - -analytic 93.13323E-1 00.00000E+0 22.30063E+3 00.00000E+0 00.00000E+0 + -analytic 93.13323E-1 00E+0 22.30063E+3 00E+0 00E+0 K3NpO2(CO3)2(cr) -K3NpO2(CO3)2 = +3.000K+ +1.000NpO2+ +2.000CO3-2 - log_k -15.46 #03GUI/FAN - -analytic -15.46000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +K3NpO2(CO3)2 = 3 K+ + NpO2+ + 2 CO3-2 + log_k -15.46 #03GUI/FAN + -analytic -15.46E+0 00E+0 00E+0 00E+0 00E+0 K4NpO2(CO3)3(cr) -K4NpO2(CO3)3 = +4.000K+ +1.000NpO2+2 +3.000CO3-2 - log_k -26.93 #01LEM/FUG - -analytic -26.93000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +K4NpO2(CO3)3 = 4 K+ + NpO2+2 + 3 CO3-2 + log_k -26.93 #01LEM/FUG + -analytic -26.93E+0 00E+0 00E+0 00E+0 00E+0 Kainite -KMgCl(SO4):3H2O = +1.000Mg+2 +1.000K+ +1.000SO4-2 +1.000Cl- +3.000H2O - log_k -0.19 #84HAR/MOL - delta_h -12.950 #kJ/mol +KMgCl(SO4):3H2O = Mg+2 + K+ + SO4-2 + Cl- + 3 H2O + log_k -0.19 #84HAR/MOL + delta_h -12.95 #kJ/mol # Enthalpy of formation: -2640.100 kJ/mol 82WAG/EVA - -analytic -24.58743E-1 00.00000E+0 67.64256E+1 00.00000E+0 00.00000E+0 + -analytic -24.58743E-1 00E+0 67.64256E+1 00E+0 00E+0 KAl(OH)4 -KAl(OH)4 = +1.000K+ +1.000Al+3 -4.000H+ +4.000H2O - log_k +24.22 - delta_h -211.675 #kJ/mol +KAl(OH)4 = K+ + Al+3 - 4 H+ + 4 H2O + log_k 24.22 + delta_h -211.675 #kJ/mol # Enthalpy of formation: -1722.185 kJ/mol 97POK/HEL2 - -analytic -12.86387E+0 00.00000E+0 11.05656E+3 00.00000E+0 00.00000E+0 + -analytic -12.86387E+0 00E+0 11.05656E+3 00E+0 00E+0 KAl(SO4)2(s) -KAl(SO4)2 = +1.000K+ +1.000Al+3 +2.000SO4-2 - log_k +3.74 #96FAL/REA - -analytic 37.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +KAl(SO4)2 = K+ + Al+3 + 2 SO4-2 + log_k 3.74 #96FAL/REA + -analytic 37.4E-1 00E+0 00E+0 00E+0 00E+0 KAl(SO4)2:12H2O(s) -KAl(SO4)2:12H2O = +1.000K+ +1.000Al+3 +2.000SO4-2 +12.000H2O - log_k -6.68 #96FAL/REA - -analytic -66.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +KAl(SO4)2:12H2O = K+ + Al+3 + 2 SO4-2 + 12 H2O + log_k -6.68 #96FAL/REA + -analytic -66.8E-1 00E+0 00E+0 00E+0 00E+0 Kalicinite -KHCO3 = +1.000K+ +1.000H+ +1.000CO3-2 - log_k -10.06 #84HAR/MOL - delta_h +34.950 #kJ/mol +KHCO3 = K+ + H+ + CO3-2 + log_k -10.06 #84HAR/MOL + delta_h 34.95 #kJ/mol # Enthalpy of formation: -962.320 kJ/mol 74NAU/RYZ - -analytic -39.37023E-1 00.00000E+0 -18.25566E+2 00.00000E+0 00.00000E+0 + -analytic -39.37023E-1 00E+0 -18.25566E+2 00E+0 00E+0 Kaolinite -Al2(Si2O5)(OH)4 = +2.000Al+3 -6.000H+ +2.000H4(SiO4) +1.000H2O - log_k +6.50 - delta_h -169.718 #kJ/mol +Al2(Si2O5)(OH)4 = 2 Al+3 - 6 H+ + 2 H4(SiO4) + H2O + log_k 6.5 + delta_h -169.718 #kJ/mol # Enthalpy of formation: -4115.300 kJ/mol 01FIA/NAV - -analytic -23.23332E+0 00.00000E+0 88.64989E+2 00.00000E+0 00.00000E+0 - -Vm 99.340 + -analytic -23.23332E+0 00E+0 88.64989E+2 00E+0 00E+0 + -Vm 99.34 Katoite -Ca3Al2(SiO4)(OH)8 = +3.000Ca+2 +2.000Al+3 -12.000H+ +1.000H4(SiO4) +8.000H2O - log_k +71.16 #10BLA/BOU2 - delta_h -545.767 #kJ/mol -# Enthalpy of formation: -5907.865 kJ/mol - -analytic -24.45427E+0 00.00000E+0 28.50740E+3 00.00000E+0 00.00000E+0 - -Vm 141.510 +Ca3Al2(SiO4)(OH)8 = 3 Ca+2 + 2 Al+3 - 12 H+ + H4(SiO4) + 8 H2O + log_k 71.16 #10BLA/BOU2 + delta_h -545.767 #kJ/mol +# Enthalpy of formation: -5907.865 kJ/mol + -analytic -24.45427E+0 00E+0 28.5074E+3 00E+0 00E+0 + -Vm 141.51 K-Boltwoodite -K(UO2)(SiO3OH):H2O = +1.000K+ +1.000UO2+2 -3.000H+ +1.000H4(SiO4) +1.000H2O - log_k +4.48 #20GRE/GAO - delta_h -27.146 #kJ/mol -# Enthalpy of formation: -2991.019 kJ/mol - -analytic -27.57751E-2 00.00000E+0 14.17934E+2 00.00000E+0 00.00000E+0 +K(UO2)(SiO3OH):H2O = K+ + UO2+2 - 3 H+ + H4(SiO4) + H2O + log_k 4.48 #20GRE/GAO + delta_h -27.146 #kJ/mol +# Enthalpy of formation: -2991.019 kJ/mol + -analytic -27.57751E-2 00E+0 14.17934E+2 00E+0 00E+0 KBr(s) -KBr = +1.000K+ +1.000Br- - log_k +1.13 #96FAL/REA - -analytic 11.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +KBr = K+ + Br- + log_k 1.13 #96FAL/REA + -analytic 11.3E-1 00E+0 00E+0 00E+0 00E+0 K-carbonate -K2CO3:1.5H2O = +2.000K+ +1.000CO3-2 +1.500H2O - log_k +3.03 #84HAR/MOL - delta_h -1.188 #kJ/mol -# Enthalpy of formation: -1607.068 kJ/mol - -analytic 28.21871E-1 00.00000E+0 62.05356E+0 00.00000E+0 00.00000E+0 +K2CO3:1.5H2O = 2 K+ + CO3-2 + 1.5 H2O + log_k 3.03 #84HAR/MOL + delta_h -1.188 #kJ/mol +# Enthalpy of formation: -1607.068 kJ/mol + -analytic 28.21871E-1 00E+0 62.05356E+0 00E+0 00E+0 KFe(CrO4)2:2H2O(s) -KFe(CrO4)2:2H2O = +1.000K+ +1.000Fe+3 +2.000CrO4-2 +2.000H2O - log_k -19.39 #98BAR/PAL - delta_h +27.540 #kJ/mol 98BAR/PAL -# Enthalpy of formation: -2659.396 kJ/mol - -analytic -14.56520E+0 00.00000E+0 -14.38514E+2 00.00000E+0 00.00000E+0 +KFe(CrO4)2:2H2O = K+ + Fe+3 + 2 CrO4-2 + 2 H2O + log_k -19.39 #98BAR/PAL + delta_h 27.54 #kJ/mol 98BAR/PAL +# Enthalpy of formation: -2659.396 kJ/mol + -analytic -14.5652E+0 00E+0 -14.38514E+2 00E+0 00E+0 KFe3(CrO4)2(OH)6(cr) -KFe3(CrO4)2(OH)6 = +1.000K+ +3.000Fe+3 -6.000H+ +2.000CrO4-2 +6.000H2O - log_k -18.40 #96BAR/PAL - -analytic -18.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +KFe3(CrO4)2(OH)6 = K+ + 3 Fe+3 - 6 H+ + 2 CrO4-2 + 6 H2O + log_k -18.4 #96BAR/PAL + -analytic -18.4E+0 00E+0 00E+0 00E+0 00E+0 KH2PO4 -KH2PO4 = +1.000K+ +1.000H2(PO4)- - log_k -0.44 #97MAR/SMI - -analytic -44.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +KH2PO4 = K+ + H2(PO4)- + log_k -0.44 #97MAR/SMI + -analytic -44E-2 00E+0 00E+0 00E+0 00E+0 KH2PO4(cr) -KH2PO4 = +1.000K+ +1.000H2(PO4)- - log_k -0.37 - delta_h +19.686 #kJ/mol 74NAU/RYZ -# Enthalpy of formation: -1574.426 kJ/mol - -analytic 30.78839E-1 00.00000E+0 -10.28271E+2 00.00000E+0 00.00000E+0 +KH2PO4 = K+ + H2(PO4)- + log_k -0.37 + delta_h 19.686 #kJ/mol 74NAU/RYZ +# Enthalpy of formation: -1574.426 kJ/mol + -analytic 30.78839E-1 00E+0 -10.28271E+2 00E+0 00E+0 KI(s) -KI = +1.000K+ +1.000I- - log_k +1.74 #96FAL/REA - -analytic 17.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +KI = K+ + I- + log_k 1.74 #96FAL/REA + -analytic 17.4E-1 00E+0 00E+0 00E+0 00E+0 KNpO2CO3(cr) -KNpO2CO3 = +1.000K+ +1.000NpO2+ +1.000CO3-2 - log_k -13.15 #03GUI/FAN - -analytic -13.15000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +KNpO2CO3 = K+ + NpO2+ + CO3-2 + log_k -13.15 #03GUI/FAN + -analytic -13.15E+0 00E+0 00E+0 00E+0 00E+0 KTcO4(cr) -KTcO4 = +1.000K+ +1.000TcO4- - log_k -2.29 #99RAR/RAN - delta_h +53.260 #kJ/mol 99RAR/RAN -# Enthalpy of formation: -1034.800 kJ/mol - -analytic 70.40751E-1 00.00000E+0 -27.81964E+2 00.00000E+0 00.00000E+0 +KTcO4 = K+ + TcO4- + log_k -2.29 #99RAR/RAN + delta_h 53.26 #kJ/mol 99RAR/RAN +# Enthalpy of formation: -1034.800 kJ/mol + -analytic 70.40751E-1 00E+0 -27.81964E+2 00E+0 00E+0 K-trona -K2NaH(CO3)2:2H2O = +2.000K+ +1.000Na+ +1.000H+ +2.000CO3-2 +2.000H2O - log_k -9.10 #84HAR/MOL - -analytic -91.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +K2NaH(CO3)2:2H2O = 2 K+ + Na+ + H+ + 2 CO3-2 + 2 H2O + log_k -9.1 #84HAR/MOL + -analytic -91E-1 00E+0 00E+0 00E+0 00E+0 Lanarkite -PbSO4:PbO = +2.000Pb+2 -2.000H+ +1.000SO4-2 +1.000H2O - log_k +2.63 #82ABD/THO - delta_h -39.234 #kJ/mol -# Enthalpy of formation: -1154.096 kJ/mol - -analytic -42.43502E-1 00.00000E+0 20.49335E+2 00.00000E+0 00.00000E+0 +PbSO4:PbO = 2 Pb+2 - 2 H+ + SO4-2 + H2O + log_k 2.63 #82ABD/THO + delta_h -39.234 #kJ/mol +# Enthalpy of formation: -1154.096 kJ/mol + -analytic -42.43502E-1 00E+0 20.49335E+2 00E+0 00E+0 Langite -Cu4SO4(OH)6:H2O = +4.000Cu+2 -6.000H+ +1.000SO4-2 +7.000H2O - log_k +17.49 - delta_h -165.074 #kJ/mol -# Enthalpy of formation: -2485.474 kJ/mol - -analytic -11.42972E+0 00.00000E+0 86.22416E+2 00.00000E+0 00.00000E+0 +Cu4SO4(OH)6:H2O = 4 Cu+2 - 6 H+ + SO4-2 + 7 H2O + log_k 17.49 + delta_h -165.074 #kJ/mol +# Enthalpy of formation: -2485.474 kJ/mol + -analytic -11.42972E+0 00E+0 86.22416E+2 00E+0 00E+0 Lansfordite -Mg(CO3):5H2O = +1.000Mg+2 +1.000CO3-2 +5.000H2O - log_k -5.04 - delta_h +2.890 #kJ/mol +Mg(CO3):5H2O = Mg+2 + CO3-2 + 5 H2O + log_k -5.04 + delta_h 2.89 #kJ/mol # Enthalpy of formation: -2574.270 kJ/mol 99KON/KON - -analytic -45.33694E-1 00.00000E+0 -15.09552E+1 00.00000E+0 00.00000E+0 + -analytic -45.33694E-1 00E+0 -15.09552E+1 00E+0 00E+0 Laumontite -CaAl2Si4O12:4H2O = +1.000Ca+2 +2.000Al+3 -8.000H+ +4.000H4(SiO4) - log_k +11.67 - delta_h -213.576 #kJ/mol +CaAl2Si4O12:4H2O = Ca+2 + 2 Al+3 - 8 H+ + 4 H4(SiO4) + log_k 11.67 + delta_h -213.576 #kJ/mol # Enthalpy of formation: -7251.000 kJ/mol 96KIS/NAV - -analytic -25.74691E+0 00.00000E+0 11.15585E+3 00.00000E+0 00.00000E+0 - -Vm 207.530 + -analytic -25.74691E+0 00E+0 11.15585E+3 00E+0 00E+0 + -Vm 207.53 Laurionite -PbClOH = +1.000Pb+2 -1.000H+ +1.000Cl- +1.000H2O - log_k +0.62 #99LOT/OCH - -analytic 62.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +PbClOH = Pb+2 - H+ + Cl- + H2O + log_k 0.62 #99LOT/OCH + -analytic 62E-2 00E+0 00E+0 00E+0 00E+0 Lawrencite -FeCl2 = +1.000Fe+2 +2.000Cl- - log_k +8.93 - delta_h -82.921 #kJ/mol +FeCl2 = Fe+2 + 2 Cl- + log_k 8.93 + delta_h -82.921 #kJ/mol # Enthalpy of formation: -341.534 kJ/mol 13LEM/BER - -analytic -55.97136E-1 00.00000E+0 43.31265E+2 00.00000E+0 00.00000E+0 + -analytic -55.97136E-1 00E+0 43.31265E+2 00E+0 00E+0 Leonhardtite -MgSO4:4H2O = +1.000Mg+2 +1.000SO4-2 +4.000H2O - log_k -0.89 #80HAR/WEA - delta_h -24.030 #kJ/mol +MgSO4:4H2O = Mg+2 + SO4-2 + 4 H2O + log_k -0.89 #80HAR/WEA + delta_h -24.03 #kJ/mol # Enthalpy of formation: -2495.630 kJ/mol 74NAU/RYZ - -analytic -50.99875E-1 00.00000E+0 12.55174E+2 00.00000E+0 00.00000E+0 + -analytic -50.99875E-1 00E+0 12.55174E+2 00E+0 00E+0 Leonite -K2Mg(SO4)2:4H2O = +1.000Mg+2 +2.000K+ +2.000SO4-2 +4.000H2O - log_k -3.98 #84HAR/MOL - delta_h +15.290 #kJ/mol +K2Mg(SO4)2:4H2O = Mg+2 + 2 K+ + 2 SO4-2 + 4 H2O + log_k -3.98 #84HAR/MOL + delta_h 15.29 #kJ/mol # Enthalpy of formation: -3948.570 kJ/mol 74NAU/RYZ - -analytic -13.01307E-1 00.00000E+0 -79.86523E+1 00.00000E+0 00.00000E+0 + -analytic -13.01307E-1 00E+0 -79.86523E+1 00E+0 00E+0 Lepidocrocite -FeOOH = +1.000Fe+3 -3.000H+ +2.000H2O - log_k +1.86 - delta_h -72.516 #kJ/mol +FeOOH = Fe+3 - 3 H+ + 2 H2O + log_k 1.86 + delta_h -72.516 #kJ/mol # Enthalpy of formation: -549.200 kJ/mol 13LEM/BER - -analytic -10.84426E+0 00.00000E+0 37.87774E+2 00.00000E+0 00.00000E+0 + -analytic -10.84426E+0 00E+0 37.87774E+2 00E+0 00E+0 Li(cr) -Li = +1.000e- +1.000Li+ - log_k +51.32 - delta_h -278.470 #kJ/mol +Li = e- + Li+ + log_k 51.32 + delta_h -278.47 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic 25.34150E-1 00.00000E+0 14.54550E+3 00.00000E+0 00.00000E+0 + -analytic 25.3415E-1 00E+0 14.5455E+3 00E+0 00E+0 Liebigite -Ca2UO2(CO3)3:10H2O = +2.000Ca+2 +1.000UO2+2 +3.000CO3-2 +10.000H2O - log_k -32.30 #19LEE/AMA - delta_h +55.710 #kJ/mol +Ca2UO2(CO3)3:10H2O = 2 Ca+2 + UO2+2 + 3 CO3-2 + 10 H2O + log_k -32.3 #19LEE/AMA + delta_h 55.71 #kJ/mol # Enthalpy of formation: -7044.700 kJ/mol 20GRE/GAO - -analytic -22.54003E+0 00.00000E+0 -29.09936E+2 00.00000E+0 00.00000E+0 + -analytic -22.54003E+0 00E+0 -29.09936E+2 00E+0 00E+0 Linnaeite -Co3S4 = +3.000Co+2 -4.000H+ -2.000e- +4.000HS- - log_k -42.76 - delta_h +136.500 #kJ/mol +Co3S4 = 3 Co+2 - 4 H+ - 2 e- + 4 HS- + log_k -42.76 + delta_h 136.5 #kJ/mol # Enthalpy of formation: -374.500 kJ/mol 95ROB/HEM - -analytic -18.84623E+0 00.00000E+0 -71.29892E+2 00.00000E+0 00.00000E+0 + -analytic -18.84623E+0 00E+0 -71.29892E+2 00E+0 00E+0 Litharge -PbO = +1.000Pb+2 -2.000H+ +1.000H2O - log_k +12.63 - delta_h -65.501 #kJ/mol +PbO = Pb+2 - 2 H+ + H2O + log_k 12.63 + delta_h -65.501 #kJ/mol # Enthalpy of formation: -219.409 kJ/mol 98CHA - -analytic 11.54717E-1 00.00000E+0 34.21356E+2 00.00000E+0 00.00000E+0 + -analytic 11.54717E-1 00E+0 34.21356E+2 00E+0 00E+0 Lizardite -Mg3Si2O5(OH)4 = +3.000Mg+2 -6.000H+ +2.000H4(SiO4) +1.000H2O - log_k +33.08 - delta_h -247.218 #kJ/mol +Mg3Si2O5(OH)4 = 3 Mg+2 - 6 H+ + 2 H4(SiO4) + H2O + log_k 33.08 + delta_h -247.218 #kJ/mol # Enthalpy of formation: -4362.000 kJ/mol 04EVA - -analytic -10.23073E+0 00.00000E+0 12.91310E+3 00.00000E+0 00.00000E+0 - -Vm 107.500 + -analytic -10.23073E+0 00E+0 12.9131E+3 00E+0 00E+0 + -Vm 107.5 Mackinawite -FeS = +1.000Fe+2 -1.000H+ +1.000HS- - log_k -3.19 #20LEM/PAL - -analytic -31.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 - -Vm 20.450 +FeS = Fe+2 - H+ + HS- + log_k -3.19 #20LEM/PAL + -analytic -31.9E-1 00E+0 00E+0 00E+0 00E+0 + -Vm 20.45 Maghemite -Fe2O3 = +2.000Fe+3 -6.000H+ +3.000H2O - log_k +2.79 - delta_h -149.612 #kJ/mol +Fe2O3 = 2 Fe+3 - 6 H+ + 3 H2O + log_k 2.79 + delta_h -149.612 #kJ/mol # Enthalpy of formation: -807.990 kJ/mol 13LEM/BER - -analytic -23.42090E+0 00.00000E+0 78.14779E+2 00.00000E+0 00.00000E+0 + -analytic -23.4209E+0 00E+0 78.14779E+2 00E+0 00E+0 Magnesite(nat) -MgCO3 = +1.000Mg+2 +1.000CO3-2 - log_k -8.91 - delta_h -24.290 #kJ/mol +MgCO3 = Mg+2 + CO3-2 + log_k -8.91 + delta_h -24.29 #kJ/mol # Enthalpy of formation: -1117.940 kJ/mol 99KON/KON - -analytic -13.16543E+0 00.00000E+0 12.68755E+2 00.00000E+0 00.00000E+0 + -analytic -13.16543E+0 00E+0 12.68755E+2 00E+0 00E+0 Magnesite(syn) -Mg(CO3) = +1.000Mg+2 +1.000CO3-2 - log_k -8.10 - delta_h -28.930 #kJ/mol +Mg(CO3) = Mg+2 + CO3-2 + log_k -8.1 + delta_h -28.93 #kJ/mol # Enthalpy of formation: -1113.300 kJ/mol 95ROB/HEM - -analytic -13.16832E+0 00.00000E+0 15.11119E+2 00.00000E+0 00.00000E+0 + -analytic -13.16832E+0 00E+0 15.11119E+2 00E+0 00E+0 Magnetite -Fe3O4 = +2.000Fe+3 +1.000Fe+2 -8.000H+ +4.000H2O - log_k +10.34 - delta_h -217.947 #kJ/mol +Fe3O4 = 2 Fe+3 + Fe+2 - 8 H+ + 4 H2O + log_k 10.34 + delta_h -217.947 #kJ/mol # Enthalpy of formation: -1115.780 kJ/mol 13LEM/BER - -analytic -27.84268E+0 00.00000E+0 11.38416E+3 00.00000E+0 00.00000E+0 - -Vm 44.520 + -analytic -27.84268E+0 00E+0 11.38416E+3 00E+0 00E+0 + -Vm 44.52 Malachite -Cu2CO3(OH)2 = +2.000Cu+2 -2.000H+ +1.000CO3-2 +2.000H2O - log_k -5.18 #91BAL/NOR in 07POW/BRO - delta_h -51.649 #kJ/mol -# Enthalpy of formation: -1065.441 kJ/mol - -analytic -14.22852E+0 00.00000E+0 26.97815E+2 00.00000E+0 00.00000E+0 +Cu2CO3(OH)2 = 2 Cu+2 - 2 H+ + CO3-2 + 2 H2O + log_k -5.18 #91BAL/NOR in 07POW/BRO + delta_h -51.649 #kJ/mol +# Enthalpy of formation: -1065.441 kJ/mol + -analytic -14.22852E+0 00E+0 26.97815E+2 00E+0 00E+0 Manganite -MnOOH = +1.000Mn+2 -3.000H+ -1.000e- +2.000H2O - log_k +25.27 #96FAL/REA - -analytic 25.27000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +MnOOH = Mn+2 - 3 H+ - e- + 2 H2O + log_k 25.27 #96FAL/REA + -analytic 25.27E+0 00E+0 00E+0 00E+0 00E+0 Margarite -CaAl4Si2O10(OH)2 = +1.000Ca+2 +4.000Al+3 -14.000H+ +2.000H4(SiO4) +4.000H2O - log_k +36.99 - delta_h -518.308 #kJ/mol +CaAl4Si2O10(OH)2 = Ca+2 + 4 Al+3 - 14 H+ + 2 H4(SiO4) + 4 H2O + log_k 36.99 + delta_h -518.308 #kJ/mol # Enthalpy of formation: -6244.000 kJ/mol 95ROB/HEM - -analytic -53.81366E+0 00.00000E+0 27.07311E+3 00.00000E+0 00.00000E+0 - -Vm 129.630 + -analytic -53.81366E+0 00E+0 27.07311E+3 00E+0 00E+0 + -Vm 129.63 Massicot -PbO = +1.000Pb+2 -2.000H+ +1.000H2O - log_k +12.74 - delta_h -66.848 #kJ/mol +PbO = Pb+2 - 2 H+ + H2O + log_k 12.74 + delta_h -66.848 #kJ/mol # Enthalpy of formation: -218.062 kJ/mol 98CHA - -analytic 10.28733E-1 00.00000E+0 34.91714E+2 00.00000E+0 00.00000E+0 + -analytic 10.28733E-1 00E+0 34.91714E+2 00E+0 00E+0 Melanterite -FeSO4:7H2O = +1.000Fe+2 +1.000SO4-2 +7.000H2O - log_k -2.28 - delta_h +12.067 #kJ/mol +FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O + log_k -2.28 + delta_h 12.067 #kJ/mol # Enthalpy of formation: -3012.512 kJ/mol 13LEM/BER - -analytic -16.59523E-2 00.00000E+0 -63.03033E+1 00.00000E+0 00.00000E+0 + -analytic -16.59523E-2 00E+0 -63.03033E+1 00E+0 00E+0 Mercallite -KHSO4 = +1.000K+ +1.000H+ +1.000SO4-2 - log_k -1.40 #84HAR/MOL - delta_h -0.590 #kJ/mol +KHSO4 = K+ + H+ + SO4-2 + log_k -1.4 #84HAR/MOL + delta_h -0.59 #kJ/mol # Enthalpy of formation: -1160.890 kJ/mol 74NAU/RYZ - -analytic -15.03364E-1 00.00000E+0 30.81785E+0 00.00000E+0 00.00000E+0 + -analytic -15.03364E-1 00E+0 30.81785E+0 00E+0 00E+0 Merlinoite_K -K1.04Al1.04Si1.96O6:1.69H2O = +1.040K+ +1.040Al+3 -4.160H+ +1.960H4(SiO4) -0.150H2O - log_k +9.47 - delta_h -105.627 #kJ/mol +K1.04Al1.04Si1.96O6:1.69H2O = 1.04 K+ + 1.04 Al+3 - 4.16 H+ + 1.96 H4(SiO4) - 0.15 H2O + log_k 9.47 + delta_h -105.627 #kJ/mol # Enthalpy of formation: -3537.600 kJ/mol 09BLA - -analytic -90.35056E-1 00.00000E+0 55.17282E+2 00.00000E+0 00.00000E+0 - -Vm 112.910 + -analytic -90.35056E-1 00E+0 55.17282E+2 00E+0 00E+0 + -Vm 112.91 Merlinoite_Na -Na1.04Al1.04Si1.96O6:2.27H2O = +1.040Na+ +1.040Al+3 -4.160H+ +1.960H4(SiO4) +0.430H2O - log_k +10.29 - delta_h -115.307 #kJ/mol +Na1.04Al1.04Si1.96O6:2.27H2O = 1.04 Na+ + 1.04 Al+3 - 4.16 H+ + 1.96 H4(SiO4) + 0.43 H2O + log_k 10.29 + delta_h -115.307 #kJ/mol # Enthalpy of formation: -3681.430 kJ/mol 09BLA - -analytic -99.10919E-1 00.00000E+0 60.22904E+2 00.00000E+0 00.00000E+0 - -Vm 114.040 + -analytic -99.10919E-1 00E+0 60.22904E+2 00E+0 00E+0 + -Vm 114.04 Metacinnabar -HgS = -1.000H+ +1.000HS- +1.000Hg+2 - log_k -38.53 - delta_h +200.410 #kJ/mol +HgS = - H+ + HS- + Hg+2 + log_k -38.53 + delta_h 200.41 #kJ/mol # Enthalpy of formation: -46.500 kJ/mol 95ROB/HEM - -analytic -34.19675E-1 00.00000E+0 -10.46814E+3 00.00000E+0 00.00000E+0 + -analytic -34.19675E-1 00E+0 -10.46814E+3 00E+0 00E+0 Metaschoepite -UO3:2H2O = +1.000UO2+2 -2.000H+ +3.000H2O - log_k +5.35 #20GRE/GAO - -analytic 53.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +UO3:2H2O = UO2+2 - 2 H+ + 3 H2O + log_k 5.35 #20GRE/GAO + -analytic 53.5E-1 00E+0 00E+0 00E+0 00E+0 Mg(cr) -Mg = +1.000Mg+2 +2.000e- - log_k +79.78 - delta_h -467.000 #kJ/mol +Mg = Mg+2 + 2 e- + log_k 79.78 + delta_h -467 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic -20.34888E-1 00.00000E+0 24.39311E+3 00.00000E+0 00.00000E+0 + -analytic -20.34888E-1 00E+0 24.39311E+3 00E+0 00E+0 Mg(HPO4):3H2O(s) -Mg(HPO4):3H2O = +1.000Mg+2 -1.000H+ +1.000H2(PO4)- +3.000H2O - log_k +1.41 #01WEN/MUS - -analytic 14.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mg(HPO4):3H2O = Mg+2 - H+ + H2(PO4)- + 3 H2O + log_k 1.41 #01WEN/MUS + -analytic 14.1E-1 00E+0 00E+0 00E+0 00E+0 Mg(NO3)2(s) -Mg(NO3)2 = +1.000Mg+2 +2.000NO3- - log_k +15.50 #96FAL/REA - -analytic 15.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mg(NO3)2 = Mg+2 + 2 NO3- + log_k 15.5 #96FAL/REA + -analytic 15.5E+0 00E+0 00E+0 00E+0 00E+0 Mg(NO3)2:6H2O(s) -Mg(NO3)2:6H2O = +1.000Mg+2 +2.000NO3- +6.000H2O - log_k +2.58 #96FAL/REA - -analytic 25.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mg(NO3)2:6H2O = Mg+2 + 2 NO3- + 6 H2O + log_k 2.58 #96FAL/REA + -analytic 25.8E-1 00E+0 00E+0 00E+0 00E+0 Mg(SeO3):6H2O(s) -Mg(SeO3):6H2O = +1.000Mg+2 +1.000SeO3-2 +6.000H2O - log_k -5.82 #05OLI/NOL - delta_h +18.070 #kJ/mol +Mg(SeO3):6H2O = Mg+2 + SeO3-2 + 6 H2O + log_k -5.82 #05OLI/NOL + delta_h 18.07 #kJ/mol # Enthalpy of formation: -2707.210 kJ/mol 05OLI/NOL - -analytic -26.54272E-1 00.00000E+0 -94.38618E+1 00.00000E+0 00.00000E+0 + -analytic -26.54272E-1 00E+0 -94.38618E+1 00E+0 00E+0 Mg(SeO4):6H2O(s) -Mg(SeO4):6H2O = +1.000Mg+2 +1.000SeO4-2 +6.000H2O - log_k -1.13 #05OLI/NOL - delta_h -4.080 #kJ/mol +Mg(SeO4):6H2O = Mg+2 + SeO4-2 + 6 H2O + log_k -1.13 #05OLI/NOL + delta_h -4.08 #kJ/mol # Enthalpy of formation: -2781.400 kJ/mol 05OLI/NOL - -analytic -18.44785E-1 00.00000E+0 21.31132E+1 00.00000E+0 00.00000E+0 + -analytic -18.44785E-1 00E+0 21.31132E+1 00E+0 00E+0 Mg(SO4)(s) -Mg(SO4) = +1.000Mg+2 +1.000SO4-2 - log_k +9.10 - delta_h -114.550 #kJ/mol +Mg(SO4) = Mg+2 + SO4-2 + log_k 9.1 + delta_h -114.55 #kJ/mol # Enthalpy of formation: -1261.790 kJ/mol 98CHA - -analytic -10.96830E+0 00.00000E+0 59.83363E+2 00.00000E+0 00.00000E+0 + -analytic -10.9683E+0 00E+0 59.83363E+2 00E+0 00E+0 Mg(SO4):H2O(s) -Mg(SO4):H2O = +1.000Mg+2 +1.000SO4-2 +1.000H2O - log_k -0.12 #84HAR/MOL - delta_h -51.464 #kJ/mol -# Enthalpy of formation: -1610.705 kJ/mol - -analytic -91.36106E-1 00.00000E+0 26.88152E+2 00.00000E+0 00.00000E+0 +Mg(SO4):H2O = Mg+2 + SO4-2 + H2O + log_k -0.12 #84HAR/MOL + delta_h -51.464 #kJ/mol +# Enthalpy of formation: -1610.705 kJ/mol + -analytic -91.36106E-1 00E+0 26.88152E+2 00E+0 00E+0 Mg3(PO4)2(cr) -Mg3(PO4)2 = +3.000Mg+2 -4.000H+ +2.000H2(PO4)- - log_k +15.82 #68RAC/SOP - delta_h -214.093 #kJ/mol -# Enthalpy of formation: -3792.106 kJ/mol - -analytic -21.68748E+0 00.00000E+0 11.18286E+3 00.00000E+0 00.00000E+0 +Mg3(PO4)2 = 3 Mg+2 - 4 H+ + 2 H2(PO4)- + log_k 15.82 #68RAC/SOP + delta_h -214.093 #kJ/mol +# Enthalpy of formation: -3792.106 kJ/mol + -analytic -21.68748E+0 00E+0 11.18286E+3 00E+0 00E+0 Mg3(PO4)2:22H2O(s) -Mg3(PO4)2:22H2O = +3.000Mg+2 -4.000H+ +2.000H2(PO4)- +22.000H2O - log_k +16.00 #63TAY/FRA - -analytic 16.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mg3(PO4)2:22H2O = 3 Mg+2 - 4 H+ + 2 H2(PO4)- + 22 H2O + log_k 16 #63TAY/FRA + -analytic 16E+0 00E+0 00E+0 00E+0 00E+0 Mg3(PO4)2:8H2O(s) -Mg3(PO4)2:8H2O = +3.000Mg+2 -4.000H+ +2.000H2(PO4)- +8.000H2O - log_k +13.90 #63TAY/FRA - -analytic 13.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mg3(PO4)2:8H2O = 3 Mg+2 - 4 H+ + 2 H2(PO4)- + 8 H2O + log_k 13.9 #63TAY/FRA + -analytic 13.9E+0 00E+0 00E+0 00E+0 00E+0 Mg5(CO3)4(OH)2:4H2O(s) -Mg5(CO3)4(OH)2:4H2O = +5.000Mg+2 -2.000H+ +4.000CO3-2 +6.000H2O - log_k -10.31 - delta_h -234.900 #kJ/mol +Mg5(CO3)4(OH)2:4H2O = 5 Mg+2 - 2 H+ + 4 CO3-2 + 6 H2O + log_k -10.31 + delta_h -234.9 #kJ/mol # Enthalpy of formation: -6516.000 kJ/mol 73ROB/HEM - -analytic -51.46271E+0 00.00000E+0 12.26968E+3 00.00000E+0 00.00000E+0 + -analytic -51.46271E+0 00E+0 12.26968E+3 00E+0 00E+0 MgBr2(s) -MgBr2 = +1.000Mg+2 +2.000Br- - log_k +27.80 #96FAL/REA - -analytic 27.80000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +MgBr2 = Mg+2 + 2 Br- + log_k 27.8 #96FAL/REA + -analytic 27.8E+0 00E+0 00E+0 00E+0 00E+0 MgBr2:6H2O(s) -MgBr2:6H2O = +1.000Mg+2 +2.000Br- +6.000H2O - log_k +5.22 #96FAL/REA - -analytic 52.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +MgBr2:6H2O = Mg+2 + 2 Br- + 6 H2O + log_k 5.22 #96FAL/REA + -analytic 52.2E-1 00E+0 00E+0 00E+0 00E+0 MgCl2(s) -MgCl2 = +1.000Mg+2 +2.000Cl- - log_k +22.03 - delta_h -159.540 #kJ/mol +MgCl2 = Mg+2 + 2 Cl- + log_k 22.03 + delta_h -159.54 #kJ/mol # Enthalpy of formation: -641.620 kJ/mol 98CHA - -analytic -59.20208E-1 00.00000E+0 83.33355E+2 00.00000E+0 00.00000E+0 + -analytic -59.20208E-1 00E+0 83.33355E+2 00E+0 00E+0 MgCl2:2H2O(s) -MgCl2:2H2O = +1.000Mg+2 +2.000Cl- +2.000H2O - log_k +12.90 #96FAL/REA - -analytic 12.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +MgCl2:2H2O = Mg+2 + 2 Cl- + 2 H2O + log_k 12.9 #96FAL/REA + -analytic 12.9E+0 00E+0 00E+0 00E+0 00E+0 MgCl2:4H2O(s) -MgCl2:4H2O = +1.000Mg+2 +2.000Cl- +4.000H2O - log_k +7.44 #96FAL/REA - -analytic 74.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +MgCl2:4H2O = Mg+2 + 2 Cl- + 4 H2O + log_k 7.44 #96FAL/REA + -analytic 74.4E-1 00E+0 00E+0 00E+0 00E+0 MgCl2:H2O(s) -MgCl2:H2O = +1.000Mg+2 +2.000Cl- +1.000H2O - log_k +16.22 #96FAL/REA - -analytic 16.22000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +MgCl2:H2O = Mg+2 + 2 Cl- + H2O + log_k 16.22 #96FAL/REA + -analytic 16.22E+0 00E+0 00E+0 00E+0 00E+0 MgCr2O4(s) -MgCr2O4 = +1.000Mg+2 -8.000H+ +2.000Cr+3 +4.000H2O - log_k +22.17 - delta_h -307.720 #kJ/mol +MgCr2O4 = Mg+2 - 8 H+ + 2 Cr+3 + 4 H2O + log_k 22.17 + delta_h -307.72 #kJ/mol # Enthalpy of formation: -1783.600 kJ/mol 95ROB/HEM - -analytic -31.74023E+0 00.00000E+0 16.07334E+3 00.00000E+0 00.00000E+0 + -analytic -31.74023E+0 00E+0 16.07334E+3 00E+0 00E+0 MgF2(cr) -MgF2 = +1.000Mg+2 +2.000F- - log_k -9.22 - delta_h -13.500 #kJ/mol +MgF2 = Mg+2 + 2 F- + log_k -9.22 + delta_h -13.5 #kJ/mol # Enthalpy of formation: -1124.200 kJ/mol 92GRE/FUG - -analytic -11.58510E+0 00.00000E+0 70.51541E+1 00.00000E+0 00.00000E+0 + -analytic -11.5851E+0 00E+0 70.51541E+1 00E+0 00E+0 MgI2(s) -MgI2 = +1.000Mg+2 +2.000I- - log_k +35.00 #96FAL/REA - -analytic 35.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +MgI2 = Mg+2 + 2 I- + log_k 35 #96FAL/REA + -analytic 35E+0 00E+0 00E+0 00E+0 00E+0 MgMoO4(s) -MgMoO4 = +1.000Mg+2 +1.000MoO4-2 - log_k -0.64 - delta_h -62.966 #kJ/mol -# Enthalpy of formation: -1401.033 kJ/mol - -analytic -11.67117E+0 00.00000E+0 32.88943E+2 00.00000E+0 00.00000E+0 +MgMoO4 = Mg+2 + MoO4-2 + log_k -0.64 + delta_h -62.966 #kJ/mol +# Enthalpy of formation: -1401.033 kJ/mol + -analytic -11.67117E+0 00E+0 32.88943E+2 00E+0 00E+0 Mg-oxychlorur -Mg2Cl(OH)3:4H2O = +2.000Mg+2 -3.000H+ +1.000Cl- +7.000H2O - log_k +26.03 #84HAR/MOL - delta_h -154.690 #kJ/mol +Mg2Cl(OH)3:4H2O = 2 Mg+2 - 3 H+ + Cl- + 7 H2O + log_k 26.03 #84HAR/MOL + delta_h -154.69 #kJ/mol # Enthalpy of formation: -2947.200 kJ/mol 82WAG/EVA - -analytic -10.70525E-1 00.00000E+0 80.80021E+2 00.00000E+0 00.00000E+0 + -analytic -10.70525E-1 00E+0 80.80021E+2 00E+0 00E+0 Microcline -KAlSi3O8 = +1.000K+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -4.000H2O - log_k +0.05 - delta_h -56.462 #kJ/mol +KAlSi3O8 = K+ + Al+3 - 4 H+ + 3 H4(SiO4) - 4 H2O + log_k 0.05 + delta_h -56.462 #kJ/mol # Enthalpy of formation: -3974.340 kJ/mol 99ARN/STE - -analytic -98.41718E-1 00.00000E+0 29.49216E+2 00.00000E+0 00.00000E+0 - -Vm 108.740 + -analytic -98.41718E-1 00E+0 29.49216E+2 00E+0 00E+0 + -Vm 108.74 Millerite -NiS = +1.000Ni+2 -1.000H+ +1.000HS- - log_k -10.13 - delta_h +22.688 #kJ/mol +NiS = Ni+2 - H+ + HS- + log_k -10.13 + delta_h 22.688 #kJ/mol # Enthalpy of formation: -94.000 kJ/mol 05GAM/BUG - -analytic -61.55233E-1 00.00000E+0 -11.85077E+2 00.00000E+0 00.00000E+0 + -analytic -61.55233E-1 00E+0 -11.85077E+2 00E+0 00E+0 Minium -Pb3O4 = +3.000Pb+2 -8.000H+ -2.000e- +4.000H2O - log_k +73.53 - delta_h -421.874 #kJ/mol +Pb3O4 = 3 Pb+2 - 8 H+ - 2 e- + 4 H2O + log_k 73.53 + delta_h -421.874 #kJ/mol # Enthalpy of formation: -718.686 kJ/mol 98CHA - -analytic -37.91522E-2 00.00000E+0 22.03601E+3 00.00000E+0 00.00000E+0 + -analytic -37.91522E-2 00E+0 22.03601E+3 00E+0 00E+0 Minnesotaite -Fe3Si4O10(OH)2 = +3.000Fe+2 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k +14.99 - delta_h -149.351 #kJ/mol +Fe3Si4O10(OH)2 = 3 Fe+2 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 14.99 + delta_h -149.351 #kJ/mol # Enthalpy of formation: -4822.990 kJ/mol 83MIY/KLE - -analytic -11.17517E+0 00.00000E+0 78.01146E+2 00.00000E+0 00.00000E+0 - -Vm 148.500 + -analytic -11.17517E+0 00E+0 78.01146E+2 00E+0 00E+0 + -Vm 148.5 Mirabilite -Na2SO4:10H2O = +2.000Na+ +1.000SO4-2 +10.000H2O - log_k -1.23 #84HAR/MOL - delta_h +79.471 #kJ/mol -# Enthalpy of formation: -4327.788 kJ/mol - -analytic 12.69272E+0 00.00000E+0 -41.51059E+2 00.00000E+0 00.00000E+0 - -Vm 219.800 +Na2SO4:10H2O = 2 Na+ + SO4-2 + 10 H2O + log_k -1.23 #84HAR/MOL + delta_h 79.471 #kJ/mol +# Enthalpy of formation: -4327.788 kJ/mol + -analytic 12.69272E+0 00E+0 -41.51059E+2 00E+0 00E+0 + -Vm 219.8 Mn(cr) -Mn = +1.000Mn+2 +2.000e- - log_k +39.99 - delta_h -220.800 #kJ/mol +Mn = Mn+2 + 2 e- + log_k 39.99 + delta_h -220.8 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 82WAG/EVA in 05OLI/NOL - -analytic 13.07500E-1 00.00000E+0 11.53319E+3 00.00000E+0 00.00000E+0 + -analytic 13.075E-1 00E+0 11.53319E+3 00E+0 00E+0 Mn(H2SiO4)(s) -Mn(H2SiO4) = +1.000Mn+2 -2.000H+ +1.000H4(SiO4) - log_k +12.44 #88CHA/NEW - -analytic 12.44000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mn(H2SiO4) = Mn+2 - 2 H+ + H4(SiO4) + log_k 12.44 #88CHA/NEW + -analytic 12.44E+0 00E+0 00E+0 00E+0 00E+0 Mn(HPO4)(s) -Mn(HPO4) = +1.000Mn+2 -1.000H+ +1.000H2(PO4)- - log_k -5.74 #96FAL/REA - -analytic -57.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mn(HPO4) = Mn+2 - H+ + H2(PO4)- + log_k -5.74 #96FAL/REA + -analytic -57.4E-1 00E+0 00E+0 00E+0 00E+0 Mn(SeO3):2H2O(cr) -Mn(SeO3):2H2O = +1.000Mn+2 +1.000SeO3-2 +2.000H2O - log_k -7.60 #05OLI/NOL - delta_h -18.920 #kJ/mol +Mn(SeO3):2H2O = Mn+2 + SeO3-2 + 2 H2O + log_k -7.6 #05OLI/NOL + delta_h -18.92 #kJ/mol # Enthalpy of formation: -1280.700 kJ/mol 05OLI/NOL - -analytic -10.91464E+0 00.00000E+0 98.82604E+1 00.00000E+0 00.00000E+0 + -analytic -10.91464E+0 00E+0 98.82604E+1 00E+0 00E+0 Mn(SO4)(s) -Mn(SO4) = +1.000Mn+2 +1.000SO4-2 - log_k -2.68 #96FAL/REA - -analytic -26.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mn(SO4) = Mn+2 + SO4-2 + log_k -2.68 #96FAL/REA + -analytic -26.8E-1 00E+0 00E+0 00E+0 00E+0 Mn2(Pyrophos)(s) -Mn2(Pyrophos) = +2.000Mn+2 +1.000Pyrophos-4 - log_k -19.50 #88CHA/NEW - -analytic -19.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mn2(Pyrophos) = 2 Mn+2 + Pyrophos-4 + log_k -19.5 #88CHA/NEW + -analytic -19.5E+0 00E+0 00E+0 00E+0 00E+0 Mn3(PO4)2(s) -Mn3(PO4)2 = +3.000Mn+2 -4.000H+ +2.000H2(PO4)- - log_k +15.32 #96FAL/REA - -analytic 15.32000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mn3(PO4)2 = 3 Mn+2 - 4 H+ + 2 H2(PO4)- + log_k 15.32 #96FAL/REA + -analytic 15.32E+0 00E+0 00E+0 00E+0 00E+0 Mn3(PO4)2:3H2O(s) -Mn3(PO4)2:3H2O = +3.000Mn+2 -4.000H+ +2.000H2(PO4)- +3.000H2O - log_k +2.32 #96FAL/REA - -analytic 23.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mn3(PO4)2:3H2O = 3 Mn+2 - 4 H+ + 2 H2(PO4)- + 3 H2O + log_k 2.32 #96FAL/REA + -analytic 23.2E-1 00E+0 00E+0 00E+0 00E+0 MnCl2:2H2O(s) -MnCl2:2H2O = +1.000Mn+2 +2.000Cl- +2.000H2O - log_k +3.98 #96FAL/REA - -analytic 39.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +MnCl2:2H2O = Mn+2 + 2 Cl- + 2 H2O + log_k 3.98 #96FAL/REA + -analytic 39.8E-1 00E+0 00E+0 00E+0 00E+0 MnCl2:4H2O(s) -MnCl2:4H2O = +1.000Mn+2 +2.000Cl- +4.000H2O - log_k +2.71 #96FAL/REA - -analytic 27.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O + log_k 2.71 #96FAL/REA + -analytic 27.1E-1 00E+0 00E+0 00E+0 00E+0 MnCl2:H2O(s) -MnCl2:H2O = +1.000Mn+2 +2.000Cl- +1.000H2O - log_k +5.53 #96FAL/REA - -analytic 55.30000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +MnCl2:H2O = Mn+2 + 2 Cl- + H2O + log_k 5.53 #96FAL/REA + -analytic 55.3E-1 00E+0 00E+0 00E+0 00E+0 MnO(s) -MnO = +1.000Mn+2 -2.000H+ +1.000H2O - log_k +17.90 #96FAL/REA - -analytic 17.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +MnO = Mn+2 - 2 H+ + H2O + log_k 17.9 #96FAL/REA + -analytic 17.9E+0 00E+0 00E+0 00E+0 00E+0 MnO2(s) -MnO2 = +1.000Mn+2 -4.000H+ -2.000e- +2.000H2O - log_k +42.00 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 - -analytic 42.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +MnO2 = Mn+2 - 4 H+ - 2 e- + 2 H2O + log_k 42 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 + -analytic 42E+0 00E+0 00E+0 00E+0 00E+0 MnSe(alfa) -MnSe = +1.000Mn+2 -1.000H+ +1.000HSe- - log_k +0.33 - delta_h -28.579 #kJ/mol -# Enthalpy of formation: -177.921 kJ/mol - -analytic -46.76826E-1 00.00000E+0 14.92785E+2 00.00000E+0 00.00000E+0 +MnSe = Mn+2 - H+ + HSe- + log_k 0.33 + delta_h -28.579 #kJ/mol +# Enthalpy of formation: -177.921 kJ/mol + -analytic -46.76826E-1 00E+0 14.92785E+2 00E+0 00E+0 MnSe2(cr) -MnSe2 = +1.000Mn+2 -2.000H+ -2.000e- +2.000HSe- - log_k -8.12 - delta_h -11.700 #kJ/mol +MnSe2 = Mn+2 - 2 H+ - 2 e- + 2 HSe- + log_k -8.12 + delta_h -11.7 #kJ/mol # Enthalpy of formation: -180.500 kJ/mol 05OLI/NOL - -analytic -10.16975E+0 00.00000E+0 61.11336E+1 00.00000E+0 00.00000E+0 + -analytic -10.16975E+0 00E+0 61.11336E+1 00E+0 00E+0 Mo(cr) -Mo = +8.000H+ +6.000e- +1.000MoO4-2 -4.000H2O - log_k -19.58 - delta_h +146.320 #kJ/mol +Mo = 8 H+ + 6 e- + MoO4-2 - 4 H2O + log_k -19.58 + delta_h 146.32 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 82WAG/EVA - -analytic 60.54164E-1 00.00000E+0 -76.42826E+2 00.00000E+0 00.00000E+0 + -analytic 60.54164E-1 00E+0 -76.42826E+2 00E+0 00E+0 Mo3O8(s) -Mo3O8 = +8.000H+ +2.000e- +3.000MoO4-2 -4.000H2O - log_k -63.56 - -analytic -63.56000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mo3O8 = 8 H+ + 2 e- + 3 MoO4-2 - 4 H2O + log_k -63.56 + -analytic -63.56E+0 00E+0 00E+0 00E+0 00E+0 Monocarboaluminate -(CaO)3Al2O3:CaCO3:10.68H2O = +4.000Ca+2 +2.000Al+3 -12.000H+ +1.000CO3-2 +16.680H2O - log_k +70.30 #95DAM/GLA - delta_h -515.924 #kJ/mol +(CaO)3Al2O3:CaCO3:10.68H2O = 4 Ca+2 + 2 Al+3 - 12 H+ + CO3-2 + 16.68 H2O + log_k 70.3 #95DAM/GLA + delta_h -515.924 #kJ/mol # Enthalpy of formation: -8175.750 kJ/mol 10BLA/BOU2 - -analytic -20.08600E+0 00.00000E+0 26.94859E+3 00.00000E+0 00.00000E+0 - -Vm 261.960 + -analytic -20.086E+0 00E+0 26.94859E+3 00E+0 00E+0 + -Vm 261.96 Monosulfate-Fe -Ca4Fe2(SO4)(OH)12:6H2O = +4.000Ca+2 +2.000Fe+3 -12.000H+ +1.000SO4-2 +18.000H2O - log_k +66.05 #10BLA/BOU2 - delta_h -479.966 #kJ/mol -# Enthalpy of formation: -7846.419 kJ/mol - -analytic -18.03643E+0 00.00000E+0 25.07037E+3 00.00000E+0 00.00000E+0 - -Vm 316.060 +Ca4Fe2(SO4)(OH)12:6H2O = 4 Ca+2 + 2 Fe+3 - 12 H+ + SO4-2 + 18 H2O + log_k 66.05 #10BLA/BOU2 + delta_h -479.966 #kJ/mol +# Enthalpy of formation: -7846.419 kJ/mol + -analytic -18.03643E+0 00E+0 25.07037E+3 00E+0 00E+0 + -Vm 316.06 Monosulfoaluminate -Ca4Al2(SO4)(OH)12:6H2O = +4.000Ca+2 +2.000Al+3 -12.000H+ +1.000SO4-2 +18.000H2O - log_k +73.07 #10BLA/BOU2 - delta_h -539.400 #kJ/mol +Ca4Al2(SO4)(OH)12:6H2O = 4 Ca+2 + 2 Al+3 - 12 H+ + SO4-2 + 18 H2O + log_k 73.07 #10BLA/BOU2 + delta_h -539.4 #kJ/mol # Enthalpy of formation: -8763.680 kJ/mol 10BLA/BOU2 - -analytic -21.42882E+0 00.00000E+0 28.17482E+3 00.00000E+0 00.00000E+0 - -Vm 311.260 + -analytic -21.42882E+0 00E+0 28.17482E+3 00E+0 00E+0 + -Vm 311.26 Montmorillonite-BCCa -Ca0.17Mg0.34Al1.66Si4O10(OH)2 = +0.170Ca+2 +0.340Mg+2 +1.660Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k +4.20 - delta_h -156.000 #kJ/mol +Ca0.17Mg0.34Al1.66Si4O10(OH)2 = 0.17 Ca+2 + 0.34 Mg+2 + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 4.2 + delta_h -156 #kJ/mol # Enthalpy of formation: -5690.290 kJ/mol 15BLA/VIE - -analytic -23.13003E+0 00.00000E+0 81.48448E+2 00.00000E+0 00.00000E+0 - -Vm 135.580 + -analytic -23.13003E+0 00E+0 81.48448E+2 00E+0 00E+0 + -Vm 135.58 Montmorillonite-BCK -K0.34Mg0.34Al1.66Si4O10(OH)2 = +0.340Mg+2 +0.340K+ +1.660Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k +2.81 - delta_h -136.198 #kJ/mol +K0.34Mg0.34Al1.66Si4O10(OH)2 = 0.34 Mg+2 + 0.34 K+ + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 2.81 + delta_h -136.198 #kJ/mol # Enthalpy of formation: -5703.510 kJ/mol 15BLA/VIE - -analytic -21.05087E+0 00.00000E+0 71.14117E+2 00.00000E+0 00.00000E+0 - -Vm 134.690 + -analytic -21.05087E+0 00E+0 71.14117E+2 00E+0 00E+0 + -Vm 134.69 Montmorillonite-BCMg -Mg0.17Mg0.34Al1.66Si4O10(OH)2 = +0.510Mg+2 +1.660Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k +3.69 - delta_h -157.360 #kJ/mol +Mg0.17Mg0.34Al1.66Si4O10(OH)2 = 0.51 Mg+2 + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 3.69 + delta_h -157.36 #kJ/mol # Enthalpy of formation: -5676.010 kJ/mol 15BLA/VIE - -analytic -23.87829E+0 00.00000E+0 82.19485E+2 00.00000E+0 00.00000E+0 - -Vm 131.580 + -analytic -23.87829E+0 00E+0 82.19485E+2 00E+0 00E+0 + -Vm 131.58 Montmorillonite-BCNa -Na0.34Mg0.34Al1.66Si4O10(OH)2 = +0.340Mg+2 +0.340Na+ +1.660Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k +3.39 - delta_h -145.286 #kJ/mol +Na0.34Mg0.34Al1.66Si4O10(OH)2 = 0.34 Mg+2 + 0.34 Na+ + 1.66 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 3.39 + delta_h -145.286 #kJ/mol # Enthalpy of formation: -5690.410 kJ/mol 15BLA/VIE - -analytic -22.06301E+0 00.00000E+0 75.88816E+2 00.00000E+0 00.00000E+0 - -Vm 133.960 + -analytic -22.06301E+0 00E+0 75.88816E+2 00E+0 00E+0 + -Vm 133.96 Montmorillonite-HCCa -Ca0.3Mg0.6Al1.4Si4O10(OH)2 = +0.300Ca+2 +0.600Mg+2 +1.400Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k +6.89 - delta_h -163.896 #kJ/mol +Ca0.3Mg0.6Al1.4Si4O10(OH)2 = 0.3 Ca+2 + 0.6 Mg+2 + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 6.89 + delta_h -163.896 #kJ/mol # Enthalpy of formation: -5734.420 kJ/mol 15BLA/VIE - -analytic -21.82335E+0 00.00000E+0 85.60884E+2 00.00000E+0 00.00000E+0 - -Vm 140.320 + -analytic -21.82335E+0 00E+0 85.60884E+2 00E+0 00E+0 + -Vm 140.32 Montmorillonite-HCK -K0.6Mg0.6Al1.4Si4O10(OH)2 = +0.600Mg+2 +0.600K+ +1.400Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k +4.43 - delta_h -128.960 #kJ/mol +K0.6Mg0.6Al1.4Si4O10(OH)2 = 0.6 Mg+2 + 0.6 K+ + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 4.43 + delta_h -128.96 #kJ/mol # Enthalpy of formation: -5757.740 kJ/mol 15BLA/VIE - -analytic -18.16282E+0 00.00000E+0 67.36050E+2 00.00000E+0 00.00000E+0 - -Vm 138.750 + -analytic -18.16282E+0 00E+0 67.3605E+2 00E+0 00E+0 + -Vm 138.75 Montmorillonite-HCMg -Mg0.3Mg0.6Al1.4Si4O10(OH)2 = +0.900Mg+2 +1.400Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k +5.98 - delta_h -166.296 #kJ/mol +Mg0.3Mg0.6Al1.4Si4O10(OH)2 = 0.9 Mg+2 + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 5.98 + delta_h -166.296 #kJ/mol # Enthalpy of formation: -5709.220 kJ/mol 15BLA/VIE - -analytic -23.15381E+0 00.00000E+0 86.86245E+2 00.00000E+0 00.00000E+0 - -Vm 133.270 + -analytic -23.15381E+0 00E+0 86.86245E+2 00E+0 00E+0 + -Vm 133.27 Montmorillonite-HCNa -Na0.6Mg0.6Al1.4Si4O10(OH)2 = +0.600Mg+2 +0.600Na+ +1.400Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k +5.45 - delta_h -144.990 #kJ/mol +Na0.6Mg0.6Al1.4Si4O10(OH)2 = 0.6 Mg+2 + 0.6 Na+ + 1.4 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 5.45 + delta_h -144.99 #kJ/mol # Enthalpy of formation: -5734.630 kJ/mol 15BLA/VIE - -analytic -19.95116E+0 00.00000E+0 75.73355E+2 00.00000E+0 00.00000E+0 - -Vm 137.470 + -analytic -19.95116E+0 00E+0 75.73355E+2 00E+0 00E+0 + -Vm 137.47 MoO2(s) -MoO2 = +4.000H+ +2.000e- +1.000MoO4-2 -2.000H2O - log_k -29.88 - delta_h +162.510 #kJ/mol -# Enthalpy of formation: -587.851 kJ/mol - -analytic -14.09470E-1 00.00000E+0 -84.88488E+2 00.00000E+0 00.00000E+0 +MoO2 = 4 H+ + 2 e- + MoO4-2 - 2 H2O + log_k -29.88 + delta_h 162.51 #kJ/mol +# Enthalpy of formation: -587.851 kJ/mol + -analytic -14.0947E-1 00E+0 -84.88488E+2 00E+0 00E+0 MoO3(s) -MoO3 = +2.000H+ +1.000MoO4-2 -1.000H2O - log_k -11.98 - delta_h +34.001 #kJ/mol -# Enthalpy of formation: -745.171 kJ/mol - -analytic -60.23280E-1 00.00000E+0 -17.75996E+2 00.00000E+0 00.00000E+0 +MoO3 = 2 H+ + MoO4-2 - H2O + log_k -11.98 + delta_h 34.001 #kJ/mol +# Enthalpy of formation: -745.171 kJ/mol + -analytic -60.2328E-1 00E+0 -17.75996E+2 00E+0 00E+0 Mordenite_Ca -Ca0.515Al1.03Si4.97O12:3.1H2O = +0.515Ca+2 +1.030Al+3 -4.120H+ +4.970H4(SiO4) -4.780H2O - log_k -2.92 #09BLA - delta_h -74.732 #kJ/mol -# Enthalpy of formation: -6655.334 kJ/mol - -analytic -16.01248E+0 00.00000E+0 39.03524E+2 00.00000E+0 00.00000E+0 - -Vm 209.800 +Ca0.515Al1.03Si4.97O12:3.1H2O = 0.515 Ca+2 + 1.03 Al+3 - 4.12 H+ + 4.97 H4(SiO4) - 4.78 H2O + log_k -2.92 #09BLA + delta_h -74.732 #kJ/mol +# Enthalpy of formation: -6655.334 kJ/mol + -analytic -16.01248E+0 00E+0 39.03524E+2 00E+0 00E+0 + -Vm 209.8 Mordenite_Oregon -Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O = +0.289Ca+2 +0.362Na+ +0.940Al+3 -3.760H+ +5.060H4(SiO4) -4.772H2O - log_k -4.18 - delta_h -41.247 #kJ/mol +Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O = 0.289 Ca+2 + 0.362 Na+ + 0.94 Al+3 - 3.76 H+ + 5.06 H4(SiO4) - 4.772 H2O + log_k -4.18 + delta_h -41.247 #kJ/mol # Enthalpy of formation: -6738.440 kJ/mol 92JOH/TAS - -analytic -11.40616E+0 00.00000E+0 21.54481E+2 00.00000E+0 00.00000E+0 - -Vm 212.400 + -analytic -11.40616E+0 00E+0 21.54481E+2 00E+0 00E+0 + -Vm 212.4 MoS2(s) -MoS2 = +6.000H+ +2.000e- +2.000HS- +1.000MoO4-2 -4.000H2O - log_k -69.91 - delta_h +385.522 #kJ/mol -# Enthalpy of formation: -271.804 kJ/mol - -analytic -23.69445E-1 00.00000E+0 -20.13722E+3 00.00000E+0 00.00000E+0 +MoS2 = 6 H+ + 2 e- + 2 HS- + MoO4-2 - 4 H2O + log_k -69.91 + delta_h 385.522 #kJ/mol +# Enthalpy of formation: -271.804 kJ/mol + -analytic -23.69445E-1 00E+0 -20.13722E+3 00E+0 00E+0 MoS3(s) -MoS3 = +5.000H+ +3.000HS- +1.000MoO4-2 -4.000H2O - log_k -68.07 - delta_h +354.847 #kJ/mol -# Enthalpy of formation: -257.429 kJ/mol - -analytic -59.03474E-1 00.00000E+0 -18.53495E+3 00.00000E+0 00.00000E+0 +MoS3 = 5 H+ + 3 HS- + MoO4-2 - 4 H2O + log_k -68.07 + delta_h 354.847 #kJ/mol +# Enthalpy of formation: -257.429 kJ/mol + -analytic -59.03474E-1 00E+0 -18.53495E+3 00E+0 00E+0 Muscovite -KAl3Si3O10(OH)2 = +1.000K+ +3.000Al+3 -10.000H+ +3.000H4(SiO4) - log_k +13.02 - delta_h -276.122 #kJ/mol +KAl3Si3O10(OH)2 = K+ + 3 Al+3 - 10 H+ + 3 H4(SiO4) + log_k 13.02 + delta_h -276.122 #kJ/mol # Enthalpy of formation: -5974.800 kJ/mol 95HAS/CYG - -analytic -35.35450E+0 00.00000E+0 14.42286E+3 00.00000E+0 00.00000E+0 - -Vm 140.810 + -analytic -35.3545E+0 00E+0 14.42286E+3 00E+0 00E+0 + -Vm 140.81 Na(cr) -Na = +1.000Na+ +1.000e- - log_k +45.89 - delta_h -240.340 #kJ/mol +Na = Na+ + e- + log_k 45.89 + delta_h -240.34 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG (89COX/WAG) - -analytic 37.84239E-1 00.00000E+0 12.55383E+3 00.00000E+0 00.00000E+0 + -analytic 37.84239E-1 00E+0 12.55383E+3 00E+0 00E+0 Na(NO3)(s) -Na(NO3) = +1.000Na+ +1.000NO3- - log_k +1.09 #96FAL/REA - -analytic 10.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Na(NO3) = Na+ + NO3- + log_k 1.09 #96FAL/REA + -analytic 10.9E-1 00E+0 00E+0 00E+0 00E+0 Na2(CO3)(cr) -Na2(CO3) = +2.000Na+ +1.000CO3-2 - log_k +1.12 - delta_h -26.710 #kJ/mol +Na2(CO3) = 2 Na+ + CO3-2 + log_k 1.12 + delta_h -26.71 #kJ/mol # Enthalpy of formation: -1129.200 kJ/mol 95ROB/HEM - -analytic -35.59391E-1 00.00000E+0 13.95160E+2 00.00000E+0 00.00000E+0 + -analytic -35.59391E-1 00E+0 13.9516E+2 00E+0 00E+0 Na2B4O7(cr) -Na2B4O7 = +2.000Na+ +2.000H+ +4.000B(OH)4- -9.000H2O - log_k -16.06 - delta_h +2.520 #kJ/mol -# Enthalpy of formation: -3291.196 kJ/mol - -analytic -15.61851E+0 00.00000E+0 -13.16288E+1 00.00000E+0 00.00000E+0 +Na2B4O7 = 2 Na+ + 2 H+ + 4 B(OH)4- - 9 H2O + log_k -16.06 + delta_h 2.52 #kJ/mol +# Enthalpy of formation: -3291.196 kJ/mol + -analytic -15.61851E+0 00E+0 -13.16288E+1 00E+0 00E+0 Na2B4O7:10H2O(s) -Na2B4O7:10H2O = +2.000Na+ +2.000H+ +4.000B(OH)4- +1.000H2O - log_k -24.58 - delta_h +141.471 #kJ/mol -# Enthalpy of formation: -6288.445 kJ/mol - -analytic 20.46553E-2 00.00000E+0 -73.89545E+2 00.00000E+0 00.00000E+0 +Na2B4O7:10H2O = 2 Na+ + 2 H+ + 4 B(OH)4- + H2O + log_k -24.58 + delta_h 141.471 #kJ/mol +# Enthalpy of formation: -6288.445 kJ/mol + -analytic 20.46553E-2 00E+0 -73.89545E+2 00E+0 00E+0 Na2CO3:7H2O(s) -Na2CO3:7H2O = +2.000Na+ +1.000CO3-2 +7.000H2O - log_k -0.46 #84HAR/MOL - delta_h +42.682 #kJ/mol -# Enthalpy of formation: -3199.400 kJ/mol - -analytic 70.17565E-1 00.00000E+0 -22.29436E+2 00.00000E+0 00.00000E+0 +Na2CO3:7H2O = 2 Na+ + CO3-2 + 7 H2O + log_k -0.46 #84HAR/MOL + delta_h 42.682 #kJ/mol +# Enthalpy of formation: -3199.400 kJ/mol + -analytic 70.17565E-1 00E+0 -22.29436E+2 00E+0 00E+0 Na2HPO4(cr) -Na2HPO4 = +2.000Na+ -1.000H+ +1.000H2(PO4)- - log_k +9.24 - delta_h -35.180 #kJ/mol +Na2HPO4 = 2 Na+ - H+ + H2(PO4)- + log_k 9.24 + delta_h -35.18 #kJ/mol # Enthalpy of formation: -1748.100 kJ/mol 82WAG/EVA - -analytic 30.76729E-1 00.00000E+0 18.37579E+2 00.00000E+0 00.00000E+0 + -analytic 30.76729E-1 00E+0 18.37579E+2 00E+0 00E+0 Na2Np2O7(cr) -Na2Np2O7 = +2.000Na+ +2.000NpO2+2 -6.000H+ +3.000H2O - log_k +25.20 #20GRE/GAO - -analytic 25.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Na2Np2O7 = 2 Na+ + 2 NpO2+2 - 6 H+ + 3 H2O + log_k 25.2 #20GRE/GAO + -analytic 25.2E+0 00E+0 00E+0 00E+0 00E+0 Na2O(cr) -Na2O = +2.000Na+ -2.000H+ +1.000H2O - log_k +67.46 - delta_h -351.710 #kJ/mol +Na2O = 2 Na+ - 2 H+ + H2O + log_k 67.46 + delta_h -351.71 #kJ/mol # Enthalpy of formation: -414.800 kJ/mol 95ROB/HEM - -analytic 58.43053E-1 00.00000E+0 18.37109E+3 00.00000E+0 00.00000E+0 + -analytic 58.43053E-1 00E+0 18.37109E+3 00E+0 00E+0 Na2U2O7:H2O(cr) -Na2U2O7:H2O = +2.000Na+ +2.000UO2+2 -6.000H+ +4.000H2O - log_k +24.40 #20GRE/GAO - -analytic 24.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Na2U2O7:H2O = 2 Na+ + 2 UO2+2 - 6 H+ + 4 H2O + log_k 24.4 #20GRE/GAO + -analytic 24.4E+0 00E+0 00E+0 00E+0 00E+0 Na2ZrSi2O7(cr) -Na2ZrSi2O7 = +2.000Na+ -6.000H+ +2.000H4(SiO4) +1.000Zr+4 -1.000H2O - log_k +3.74 - delta_h -119.738 #kJ/mol +Na2ZrSi2O7 = 2 Na+ - 6 H+ + 2 H4(SiO4) + Zr+4 - H2O + log_k 3.74 + delta_h -119.738 #kJ/mol # Enthalpy of formation: -3606.000 kJ/mol 05BRO/CUR - -analytic -17.23720E+0 00.00000E+0 62.54351E+2 00.00000E+0 00.00000E+0 + -analytic -17.2372E+0 00E+0 62.54351E+2 00E+0 00E+0 Na2ZrSi3O9:2H2O(cr) -Na2ZrSi3O9:2H2O = +2.000Na+ -6.000H+ +3.000H4(SiO4) +1.000Zr+4 -1.000H2O - log_k +15.58 - -analytic 15.58000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Na2ZrSi3O9:2H2O = 2 Na+ - 6 H+ + 3 H4(SiO4) + Zr+4 - H2O + log_k 15.58 + -analytic 15.58E+0 00E+0 00E+0 00E+0 00E+0 Na2ZrSi4O11(cr) -Na2ZrSi4O11 = +2.000Na+ -6.000H+ +4.000H4(SiO4) +1.000Zr+4 -5.000H2O - log_k -13.56 - -analytic -13.56000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Na2ZrSi4O11 = 2 Na+ - 6 H+ + 4 H4(SiO4) + Zr+4 - 5 H2O + log_k -13.56 + -analytic -13.56E+0 00E+0 00E+0 00E+0 00E+0 Na2ZrSi6O15:3H2O(cr) -Na2ZrSi6O15:3H2O = +2.000Na+ -6.000H+ +6.000H4(SiO4) +1.000Zr+4 -6.000H2O - log_k +16.46 - -analytic 16.46000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Na2ZrSi6O15:3H2O = 2 Na+ - 6 H+ + 6 H4(SiO4) + Zr+4 - 6 H2O + log_k 16.46 + -analytic 16.46E+0 00E+0 00E+0 00E+0 00E+0 Na2ZrSiO5(cr) -Na2ZrSiO5 = +2.000Na+ -6.000H+ +1.000H4(SiO4) +1.000Zr+4 +1.000H2O - log_k +13.19 - delta_h -166.204 #kJ/mol +Na2ZrSiO5 = 2 Na+ - 6 H+ + H4(SiO4) + Zr+4 + H2O + log_k 13.19 + delta_h -166.204 #kJ/mol # Enthalpy of formation: -2670.000 kJ/mol 05BRO/CUR - -analytic -15.92769E+0 00.00000E+0 86.81440E+2 00.00000E+0 00.00000E+0 + -analytic -15.92769E+0 00E+0 86.8144E+2 00E+0 00E+0 Na3NpO2(CO3)2(cr) -Na3NpO2(CO3)2 = +3.000Na+ +1.000NpO2+ +2.000CO3-2 - log_k -14.22 #03GUI/FAN - -analytic -14.22000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Na3NpO2(CO3)2 = 3 Na+ + NpO2+ + 2 CO3-2 + log_k -14.22 #03GUI/FAN + -analytic -14.22E+0 00E+0 00E+0 00E+0 00E+0 Na3PO4(cr) -Na3PO4 = +3.000Na+ -2.000H+ +1.000H2(PO4)- - log_k +23.52 - delta_h -106.218 #kJ/mol +Na3PO4 = 3 Na+ - 2 H+ + H2(PO4)- + log_k 23.52 + delta_h -106.218 #kJ/mol # Enthalpy of formation: -1917.402 kJ/mol 74NAU/RYZ - -analytic 49.11405E-1 00.00000E+0 55.48153E+2 00.00000E+0 00.00000E+0 + -analytic 49.11405E-1 00E+0 55.48153E+2 00E+0 00E+0 Na4Zr2Si3O12(cr) -Na4Zr2Si3O12 = +4.000Na+ -12.000H+ +3.000H4(SiO4) +2.000Zr+4 - log_k +15.50 - delta_h -276.942 #kJ/mol +Na4Zr2Si3O12 = 4 Na+ - 12 H+ + 3 H4(SiO4) + 2 Zr+4 + log_k 15.5 + delta_h -276.942 #kJ/mol # Enthalpy of formation: -6285.000 kJ/mol 05BRO/CUR - -analytic -33.01816E+0 00.00000E+0 14.46569E+3 00.00000E+0 00.00000E+0 + -analytic -33.01816E+0 00E+0 14.46569E+3 00E+0 00E+0 Na6Th(CO3)5:12H2O(cr) -Na6Th(CO3)5:12H2O = +6.000Na+ +1.000Th+4 +5.000CO3-2 +12.000H2O - log_k -42.20 #09RAN/FUG - -analytic -42.20000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Na6Th(CO3)5:12H2O = 6 Na+ + Th+4 + 5 CO3-2 + 12 H2O + log_k -42.2 #09RAN/FUG + -analytic -42.2E+0 00E+0 00E+0 00E+0 00E+0 NaAm(CO3)2:5H2O(s) -NaAm(CO3)2:5H2O = +1.000Na+ +1.000Am+3 +2.000CO3-2 +5.000H2O - log_k -21.00 #03GUI/FAN - -analytic -21.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +NaAm(CO3)2:5H2O = Na+ + Am+3 + 2 CO3-2 + 5 H2O + log_k -21 #03GUI/FAN + -analytic -21E+0 00E+0 00E+0 00E+0 00E+0 NaAmO2CO3(s) -NaAmO2CO3 = +1.000Na+ +1.000AmO2+ +1.000CO3-2 - log_k -10.90 #94GIF, 94RUN/KIM, 96RUN/NEU - -analytic -10.90000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +NaAmO2CO3 = Na+ + AmO2+ + CO3-2 + log_k -10.9 #94GIF, 94RUN/KIM, 96RUN/NEU + -analytic -10.9E+0 00E+0 00E+0 00E+0 00E+0 NaBO2(s) -NaBO2 = +1.000Na+ +1.000B(OH)4- -2.000H2O - log_k +3.62 - delta_h -36.793 #kJ/mol -# Enthalpy of formation: -977.003 kJ/mol - -analytic -28.25857E-1 00.00000E+0 19.21832E+2 00.00000E+0 00.00000E+0 +NaBO2 = Na+ + B(OH)4- - 2 H2O + log_k 3.62 + delta_h -36.793 #kJ/mol +# Enthalpy of formation: -977.003 kJ/mol + -analytic -28.25857E-1 00E+0 19.21832E+2 00E+0 00E+0 Na-Boltwoodite -Na(UO2)(SiO3OH):H2O = +1.000Na+ +1.000UO2+2 -3.000H+ +1.000H4(SiO4) +1.000H2O - log_k +5.81 #20GRE/GAO - -analytic 58.10000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Na(UO2)(SiO3OH):H2O = Na+ + UO2+2 - 3 H+ + H4(SiO4) + H2O + log_k 5.81 #20GRE/GAO + -analytic 58.1E-1 00E+0 00E+0 00E+0 00E+0 NaCm(CO3)2:5H2O(s) -NaCm(CO3)2:5H2O = +1.000Na+ +2.000CO3-2 +1.000Cm+3 +5.000H2O - log_k -20.94 #Estimated by correlation with An(III). - -analytic -20.94000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +NaCm(CO3)2:5H2O = Na+ + 2 CO3-2 + Cm+3 + 5 H2O + log_k -20.94 #Estimated by correlation with An(III). + -analytic -20.94E+0 00E+0 00E+0 00E+0 00E+0 NaEu(CO3)2:5H2O(s) -NaEu(CO3)2:5H2O = +1.000Na+ +1.000Eu+3 +2.000CO3-2 +5.000H2O - log_k -20.60 #10PHI - -analytic -20.60000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +NaEu(CO3)2:5H2O = Na+ + Eu+3 + 2 CO3-2 + 5 H2O + log_k -20.6 #10PHI + -analytic -20.6E+0 00E+0 00E+0 00E+0 00E+0 NaF(s) -NaF = +1.000Na+ +1.000F- - log_k -0.48 #96FAL/REA - -analytic -48.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +NaF = Na+ + F- + log_k -0.48 #96FAL/REA + -analytic -48E-2 00E+0 00E+0 00E+0 00E+0 NaH2PO4(cr) -NaH2PO4 = +1.000Na+ +1.000H2(PO4)- - log_k +2.30 - delta_h -6.140 #kJ/mol +NaH2PO4 = Na+ + H2(PO4)- + log_k 2.3 + delta_h -6.14 #kJ/mol # Enthalpy of formation: -1536.800 kJ/mol 82WAG/EVA - -analytic 12.24318E-1 00.00000E+0 32.07145E+1 00.00000E+0 00.00000E+0 + -analytic 12.24318E-1 00E+0 32.07145E+1 00E+0 00E+0 Nahcolite -Na(HCO3) = +1.000Na+ +1.000H+ +1.000CO3-2 - log_k -10.74 #84HAR/MOL - delta_h +33.430 #kJ/mol +Na(HCO3) = Na+ + H+ + CO3-2 + log_k -10.74 #84HAR/MOL + delta_h 33.43 #kJ/mol # Enthalpy of formation: -949.000 kJ/mol 82VAN - -analytic -48.83315E-1 00.00000E+0 -17.46171E+2 00.00000E+0 00.00000E+0 + -analytic -48.83315E-1 00E+0 -17.46171E+2 00E+0 00E+0 NaHo(CO3)2:5H2O(s) -NaHo(CO3)2:5H2O = +1.000Na+ +1.000Ho+3 +2.000CO3-2 +5.000H2O - log_k -19.97 #Estimated by correlation with An(III). - -analytic -19.97000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +NaHo(CO3)2:5H2O = Na+ + Ho+3 + 2 CO3-2 + 5 H2O + log_k -19.97 #Estimated by correlation with An(III). + -analytic -19.97E+0 00E+0 00E+0 00E+0 00E+0 NaNbO3(s) -NaNbO3 = +1.000Na+ +1.000Nb(OH)6- -3.000H2O - log_k -3.66 - delta_h +7.504 #kJ/mol -# Enthalpy of formation: -1316.013 kJ/mol - -analytic -23.45356E-1 00.00000E+0 -39.19612E+1 00.00000E+0 00.00000E+0 +NaNbO3 = Na+ + Nb(OH)6- - 3 H2O + log_k -3.66 + delta_h 7.504 #kJ/mol +# Enthalpy of formation: -1316.013 kJ/mol + -analytic -23.45356E-1 00E+0 -39.19612E+1 00E+0 00E+0 NaNpO2CO3:3.5H2O(cr) -NaNpO2CO3:3.5H2O = +1.000Na+ +1.000NpO2+ +1.000CO3-2 +3.500H2O - log_k -11.00 #03GUI/FAN - delta_h +30.997 #kJ/mol -# Enthalpy of formation: -2925.152 kJ/mol - -analytic -55.69559E-1 00.00000E+0 -16.19086E+2 00.00000E+0 00.00000E+0 +NaNpO2CO3:3.5H2O = Na+ + NpO2+ + CO3-2 + 3.5 H2O + log_k -11 #03GUI/FAN + delta_h 30.997 #kJ/mol +# Enthalpy of formation: -2925.152 kJ/mol + -analytic -55.69559E-1 00E+0 -16.19086E+2 00E+0 00E+0 NaSm(CO3)2:5H2O(s) -NaSm(CO3)2:5H2O = +1.000Na+ +1.000Sm+3 +2.000CO3-2 +5.000H2O - log_k -20.99 #Estimated by correlation with An(III). - -analytic -20.99000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +NaSm(CO3)2:5H2O = Na+ + Sm+3 + 2 CO3-2 + 5 H2O + log_k -20.99 #Estimated by correlation with An(III). + -analytic -20.99E+0 00E+0 00E+0 00E+0 00E+0 NaTcO4:4H2O(s) -NaTcO4:4H2O = +1.000Na+ +1.000TcO4- +4.000H2O - log_k +0.79 #99RAR/RAN - -analytic 79.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +NaTcO4:4H2O = Na+ + TcO4- + 4 H2O + log_k 0.79 #99RAR/RAN + -analytic 79E-2 00E+0 00E+0 00E+0 00E+0 Natrolite -Na2(Al2Si3)O10:2H2O = +2.000Na+ +2.000Al+3 -8.000H+ +3.000H4(SiO4) - log_k +19.31 - delta_h -222.462 #kJ/mol +Na2(Al2Si3)O10:2H2O = 2 Na+ + 2 Al+3 - 8 H+ + 3 H4(SiO4) + log_k 19.31 + delta_h -222.462 #kJ/mol # Enthalpy of formation: -5718.600 kJ/mol 83JOH/FLO - -analytic -19.66367E+0 00.00000E+0 11.62000E+3 00.00000E+0 00.00000E+0 - -Vm 169.200 + -analytic -19.66367E+0 00E+0 11.62E+3 00E+0 00E+0 + -Vm 169.2 Natron -Na2(CO3):10H2O = +2.000Na+ +1.000CO3-2 +10.000H2O - log_k -0.83 #84HAR/MOL - delta_h +64.870 #kJ/mol -# Enthalpy of formation: -4079.078 kJ/mol - -analytic 10.53474E+0 00.00000E+0 -33.88396E+2 00.00000E+0 00.00000E+0 +Na2(CO3):10H2O = 2 Na+ + CO3-2 + 10 H2O + log_k -0.83 #84HAR/MOL + delta_h 64.87 #kJ/mol +# Enthalpy of formation: -4079.078 kJ/mol + -analytic 10.53474E+0 00E+0 -33.88396E+2 00E+0 00E+0 Nb(cr) -Nb = +6.000H+ +1.000Nb(OH)6- +5.000e- -6.000H2O - log_k +41.82 - delta_h -210.678 #kJ/mol +Nb = 6 H+ + Nb(OH)6- + 5 e- - 6 H2O + log_k 41.82 + delta_h -210.678 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 82WAG/EVA - -analytic 49.10799E-1 00.00000E+0 11.00448E+3 00.00000E+0 00.00000E+0 + -analytic 49.10799E-1 00E+0 11.00448E+3 00E+0 00E+0 Nb2O5(s) -Nb2O5 = +2.000H+ +2.000Nb(OH)6- -7.000H2O - log_k -28.38 #97PEI/NGU - delta_h +52.400 #kJ/mol 97PEI/NGU -# Enthalpy of formation: -1902.906 kJ/mol - -analytic -19.19991E+0 00.00000E+0 -27.37043E+2 00.00000E+0 00.00000E+0 +Nb2O5 = 2 H+ + 2 Nb(OH)6- - 7 H2O + log_k -28.38 #97PEI/NGU + delta_h 52.4 #kJ/mol 97PEI/NGU +# Enthalpy of formation: -1902.906 kJ/mol + -analytic -19.19991E+0 00E+0 -27.37043E+2 00E+0 00E+0 Nesquehonite -Mg(CO3):3H2O = +1.000Mg+2 +1.000CO3-2 +3.000H2O - log_k -5.10 - delta_h -22.420 #kJ/mol +Mg(CO3):3H2O = Mg+2 + CO3-2 + 3 H2O + log_k -5.1 + delta_h -22.42 #kJ/mol # Enthalpy of formation: -1977.300 kJ/mol 73ROB/HEM - -analytic -90.27815E-1 00.00000E+0 11.71078E+2 00.00000E+0 00.00000E+0 + -analytic -90.27815E-1 00E+0 11.71078E+2 00E+0 00E+0 Ni(BO2)2(s) -Ni(BO2)2 = +1.000Ni+2 +2.000B(OH)4- -4.000H2O - log_k -8.70 #92PEA/BER - -analytic -87.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ni(BO2)2 = Ni+2 + 2 B(OH)4- - 4 H2O + log_k -8.7 #92PEA/BER + -analytic -87E-1 00E+0 00E+0 00E+0 00E+0 Ni(CO3)(cr) -Ni(CO3) = +1.000Ni+2 +1.000CO3-2 - log_k -10.99 - delta_h -16.922 #kJ/mol -# Enthalpy of formation: -713.320 kJ/mol - -analytic -13.95461E+0 00.00000E+0 88.38976E+1 00.00000E+0 00.00000E+0 +Ni(CO3) = Ni+2 + CO3-2 + log_k -10.99 + delta_h -16.922 #kJ/mol +# Enthalpy of formation: -713.320 kJ/mol + -analytic -13.95461E+0 00E+0 88.38976E+1 00E+0 00E+0 Ni(CO3):5.5H2O(cr) -Ni(CO3):5.5H2O = +1.000Ni+2 +1.000CO3-2 +5.500H2O - log_k -7.52 - delta_h +10.687 #kJ/mol -# Enthalpy of formation: -2312.992 kJ/mol - -analytic -56.47718E-1 00.00000E+0 -55.82209E+1 00.00000E+0 00.00000E+0 +Ni(CO3):5.5H2O = Ni+2 + CO3-2 + 5.5 H2O + log_k -7.52 + delta_h 10.687 #kJ/mol +# Enthalpy of formation: -2312.992 kJ/mol + -analytic -56.47718E-1 00E+0 -55.82209E+1 00E+0 00E+0 Ni(cr) -Ni = +1.000Ni+2 +2.000e- - log_k +8.02 - delta_h -55.012 #kJ/mol +Ni = Ni+2 + 2 e- + log_k 8.02 + delta_h -55.012 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 05GAM/BUG - -analytic -16.17689E-1 00.00000E+0 28.73477E+2 00.00000E+0 00.00000E+0 + -analytic -16.17689E-1 00E+0 28.73477E+2 00E+0 00E+0 Ni(IO3)2(beta) -Ni(IO3)2 = +1.000Ni+2 +2.000IO3- - log_k -4.43 - delta_h -7.300 #kJ/mol 05GAM/BUG -# Enthalpy of formation: -487.112 kJ/mol - -analytic -57.08905E-1 00.00000E+0 38.13056E+1 00.00000E+0 00.00000E+0 +Ni(IO3)2 = Ni+2 + 2 IO3- + log_k -4.43 + delta_h -7.3 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -487.112 kJ/mol + -analytic -57.08905E-1 00E+0 38.13056E+1 00E+0 00E+0 Ni(IO3)2:2H2O(cr) -Ni(IO3)2:2H2O = +1.000Ni+2 +2.000IO3- +2.000H2O - log_k -5.14 - delta_h +21.600 #kJ/mol 05GAM/BUG -# Enthalpy of formation: -1087.672 kJ/mol - -analytic -13.55842E-1 00.00000E+0 -11.28247E+2 00.00000E+0 00.00000E+0 +Ni(IO3)2:2H2O = Ni+2 + 2 IO3- + 2 H2O + log_k -5.14 + delta_h 21.6 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -1087.672 kJ/mol + -analytic -13.55842E-1 00E+0 -11.28247E+2 00E+0 00E+0 Ni(OH)2(s) -Ni(OH)2 = +1.000Ni+2 -2.000H+ +2.000H2O - log_k +11.03 - delta_h -84.389 #kJ/mol -# Enthalpy of formation: -542.282 kJ/mol - -analytic -37.54318E-1 00.00000E+0 44.07944E+2 00.00000E+0 00.00000E+0 +Ni(OH)2 = Ni+2 - 2 H+ + 2 H2O + log_k 11.03 + delta_h -84.389 #kJ/mol +# Enthalpy of formation: -542.282 kJ/mol + -analytic -37.54318E-1 00E+0 44.07944E+2 00E+0 00E+0 Ni(SeO3):2H2O(cr) -Ni(SeO3):2H2O = +1.000Ni+2 +1.000SeO3-2 +2.000H2O - log_k -5.80 #05OLI/NOL - delta_h -24.502 #kJ/mol +Ni(SeO3):2H2O = Ni+2 + SeO3-2 + 2 H2O + log_k -5.8 #05OLI/NOL + delta_h -24.502 #kJ/mol # Enthalpy of formation: -1109.330 kJ/mol 05OLI/NOL - -analytic -10.09257E+0 00.00000E+0 12.79829E+2 00.00000E+0 00.00000E+0 + -analytic -10.09257E+0 00E+0 12.79829E+2 00E+0 00E+0 Ni(SeO4):6H2O(s) -Ni(SeO4):6H2O = +1.000Ni+2 +1.000SeO4-2 +6.000H2O - log_k -1.38 #05OLI/NOL - delta_h -3.791 #kJ/mol -# Enthalpy of formation: -2369.699 kJ/mol - -analytic -20.44155E-1 00.00000E+0 19.80177E+1 00.00000E+0 00.00000E+0 +Ni(SeO4):6H2O = Ni+2 + SeO4-2 + 6 H2O + log_k -1.38 #05OLI/NOL + delta_h -3.791 #kJ/mol +# Enthalpy of formation: -2369.699 kJ/mol + -analytic -20.44155E-1 00E+0 19.80177E+1 00E+0 00E+0 Ni(SiO3)(s) -Ni(SiO3) = +1.000Ni+2 -2.000H+ +1.000H4(SiO4) -1.000H2O - log_k -1.78 - -analytic -17.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ni(SiO3) = Ni+2 - 2 H+ + H4(SiO4) - H2O + log_k -1.78 + -analytic -17.8E-1 00E+0 00E+0 00E+0 00E+0 Ni(SO4)(cr) -Ni(SO4) = +1.000Ni+2 +1.000SO4-2 - log_k +4.75 - delta_h -91.072 #kJ/mol +Ni(SO4) = Ni+2 + SO4-2 + log_k 4.75 + delta_h -91.072 #kJ/mol # Enthalpy of formation: -873.280 kJ/mol 05GAM/BUG - -analytic -11.20513E+0 00.00000E+0 47.57022E+2 00.00000E+0 00.00000E+0 + -analytic -11.20513E+0 00E+0 47.57022E+2 00E+0 00E+0 Ni(SO4):6H2O(s) -Ni(SO4):6H2O = +1.000Ni+2 +1.000SO4-2 +6.000H2O - log_k -2.25 - delta_h +4.485 #kJ/mol +Ni(SO4):6H2O = Ni+2 + SO4-2 + 6 H2O + log_k -2.25 + delta_h 4.485 #kJ/mol # Enthalpy of formation: -2683.817 kJ/mol 05GAM/BUG - -analytic -14.64262E-1 00.00000E+0 -23.42679E+1 00.00000E+0 00.00000E+0 + -analytic -14.64262E-1 00E+0 -23.42679E+1 00E+0 00E+0 Ni(SO4):7H2O(s) -Ni(SO4):7H2O = +1.000Ni+2 +1.000SO4-2 +7.000H2O - log_k -2.27 - delta_h +12.167 #kJ/mol 05GAM/BUG -# Enthalpy of formation: -2977.329 kJ/mol - -analytic -13.84331E-2 00.00000E+0 -63.55267E+1 00.00000E+0 00.00000E+0 +Ni(SO4):7H2O = Ni+2 + SO4-2 + 7 H2O + log_k -2.27 + delta_h 12.167 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -2977.329 kJ/mol + -analytic -13.84331E-2 00E+0 -63.55267E+1 00E+0 00E+0 Ni0.88Se(cr) -Ni0.88Se = +0.880Ni+2 -1.000H+ -0.240e- +1.000HSe- - log_k -12.76 - delta_h +35.689 #kJ/mol +Ni0.88Se = 0.88 Ni+2 - H+ - 0.24 e- + HSe- + log_k -12.76 + delta_h 35.689 #kJ/mol # Enthalpy of formation: -69.800 kJ/mol 05OLI/NOL - -analytic -65.07556E-1 00.00000E+0 -18.64166E+2 00.00000E+0 00.00000E+0 + -analytic -65.07556E-1 00E+0 -18.64166E+2 00E+0 00E+0 Ni11As8(cr) -Ni11As8 = +11.000Ni+2 +64.000H+ +62.000e- +8.000AsO4-3 -32.000H2O - log_k -457.93 - delta_h +2179.308 #kJ/mol +Ni11As8 = 11 Ni+2 + 64 H+ + 62 e- + 8 AsO4-3 - 32 H2O + log_k -457.93 + delta_h 2179.308 #kJ/mol # Enthalpy of formation: -743.000 kJ/mol 05GAM/BUG - -analytic -76.13163E+0 00.00000E+0 -11.38332E+4 00.00000E+0 00.00000E+0 + -analytic -76.13163E+0 00E+0 -11.38332E+4 00E+0 00E+0 Ni2(Pyrophos)(cr) -Ni2(Pyrophos) = +2.000Ni+2 +1.000Pyrophos-4 - log_k -9.82 - -analytic -98.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ni2(Pyrophos) = 2 Ni+2 + Pyrophos-4 + log_k -9.82 + -analytic -98.2E-1 00E+0 00E+0 00E+0 00E+0 Ni3(AsO3)2(s) -Ni3(AsO3)2 = +3.000Ni+2 +4.000H+ +4.000e- +2.000AsO4-3 -2.000H2O - log_k -51.48 - -analytic -51.48000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ni3(AsO3)2 = 3 Ni+2 + 4 H+ + 4 e- + 2 AsO4-3 - 2 H2O + log_k -51.48 + -analytic -51.48E+0 00E+0 00E+0 00E+0 00E+0 Ni3(AsO4)2:8H2O(s) -Ni3(AsO4)2:8H2O = +3.000Ni+2 +2.000AsO4-3 +8.000H2O - log_k -28.10 #05GAM/BUG - delta_h -48.956 #kJ/mol +Ni3(AsO4)2:8H2O = 3 Ni+2 + 2 AsO4-3 + 8 H2O + log_k -28.1 #05GAM/BUG + delta_h -48.956 #kJ/mol # Enthalpy of formation: -4179.000 kJ/mol 05GAM/BUG - -analytic -36.67672E+0 00.00000E+0 25.57150E+2 00.00000E+0 00.00000E+0 + -analytic -36.67672E+0 00E+0 25.5715E+2 00E+0 00E+0 Ni3(PO4)2(cr) -Ni3(PO4)2 = +3.000Ni+2 -4.000H+ +2.000H2(PO4)- - log_k +10.25 - delta_h -188.236 #kJ/mol +Ni3(PO4)2 = 3 Ni+2 - 4 H+ + 2 H2(PO4)- + log_k 10.25 + delta_h -188.236 #kJ/mol # Enthalpy of formation: -2582.000 kJ/mol 89BAE/McK - -analytic -22.72753E+0 00.00000E+0 98.32251E+2 00.00000E+0 00.00000E+0 + -analytic -22.72753E+0 00E+0 98.32251E+2 00E+0 00E+0 Ni3O4(s) -Ni3O4 = +3.000Ni+2 -8.000H+ -2.000e- +4.000H2O - log_k +65.50 - delta_h -489.045 #kJ/mol -# Enthalpy of formation: -819.308 kJ/mol - -analytic -20.17701E+0 00.00000E+0 25.54460E+3 00.00000E+0 00.00000E+0 +Ni3O4 = 3 Ni+2 - 8 H+ - 2 e- + 4 H2O + log_k 65.5 + delta_h -489.045 #kJ/mol +# Enthalpy of formation: -819.308 kJ/mol + -analytic -20.17701E+0 00E+0 25.5446E+3 00E+0 00E+0 Ni5As2(cr) -Ni5As2 = +5.000Ni+2 +16.000H+ +20.000e- +2.000AsO4-3 -8.000H2O - log_k -106.73 - delta_h +479.960 #kJ/mol +Ni5As2 = 5 Ni+2 + 16 H+ + 20 e- + 2 AsO4-3 - 8 H2O + log_k -106.73 + delta_h 479.96 #kJ/mol # Enthalpy of formation: -244.660 kJ/mol 05GAM/BUG - -analytic -22.64462E+0 00.00000E+0 -25.07006E+3 00.00000E+0 00.00000E+0 + -analytic -22.64462E+0 00E+0 -25.07006E+3 00E+0 00E+0 NiAs(cr) -NiAs = +1.000Ni+2 +8.000H+ +7.000e- +1.000AsO4-3 -4.000H2O - log_k -56.24 - delta_h +270.988 #kJ/mol +NiAs = Ni+2 + 8 H+ + 7 e- + AsO4-3 - 4 H2O + log_k -56.24 + delta_h 270.988 #kJ/mol # Enthalpy of formation: -70.820 kJ/mol 05GAM/BUG - -analytic -87.64940E-1 00.00000E+0 -14.15469E+3 00.00000E+0 00.00000E+0 + -analytic -87.6494E-1 00E+0 -14.15469E+3 00E+0 00E+0 NiBr2(s) -NiBr2 = +1.000Ni+2 +2.000Br- - log_k +10.17 - delta_h -84.332 #kJ/mol +NiBr2 = Ni+2 + 2 Br- + log_k 10.17 + delta_h -84.332 #kJ/mol # Enthalpy of formation: -213.500 kJ/mol 05GAM/BUG - -analytic -46.04332E-1 00.00000E+0 44.04967E+2 00.00000E+0 00.00000E+0 + -analytic -46.04332E-1 00E+0 44.04967E+2 00E+0 00E+0 NiCl2(s) -NiCl2 = +1.000Ni+2 +2.000Cl- - log_k +8.67 - delta_h -84.272 #kJ/mol +NiCl2 = Ni+2 + 2 Cl- + log_k 8.67 + delta_h -84.272 #kJ/mol # Enthalpy of formation: -304.900 kJ/mol 05GAM/BUG - -analytic -60.93821E-1 00.00000E+0 44.01833E+2 00.00000E+0 00.00000E+0 + -analytic -60.93821E-1 00E+0 44.01833E+2 00E+0 00E+0 NiCl2:2H2O(s) -NiCl2:2H2O = +1.000Ni+2 +2.000Cl- +2.000H2O - log_k +4.92 - delta_h -47.458 #kJ/mol -# Enthalpy of formation: -913.372 kJ/mol - -analytic -33.94285E-1 00.00000E+0 24.78904E+2 00.00000E+0 00.00000E+0 +NiCl2:2H2O = Ni+2 + 2 Cl- + 2 H2O + log_k 4.92 + delta_h -47.458 #kJ/mol +# Enthalpy of formation: -913.372 kJ/mol + -analytic -33.94285E-1 00E+0 24.78904E+2 00E+0 00E+0 NiCl2:4H2O(s) -NiCl2:4H2O = +1.000Ni+2 +2.000Cl- +4.000H2O - log_k +3.82 - delta_h -18.444 #kJ/mol 05GAM/BUG -# Enthalpy of formation: -1514.048 kJ/mol - -analytic 58.87499E-2 00.00000E+0 96.33972E+1 00.00000E+0 00.00000E+0 +NiCl2:4H2O = Ni+2 + 2 Cl- + 4 H2O + log_k 3.82 + delta_h -18.444 #kJ/mol 05GAM/BUG +# Enthalpy of formation: -1514.048 kJ/mol + -analytic 58.87499E-2 00E+0 96.33972E+1 00E+0 00E+0 NiCl2:6H2O(s) -NiCl2:6H2O = +1.000Ni+2 +2.000Cl- +6.000H2O - log_k +3.04 - delta_h +0.548 #kJ/mol +NiCl2:6H2O = Ni+2 + 2 Cl- + 6 H2O + log_k 3.04 + delta_h 0.548 #kJ/mol # Enthalpy of formation: -2104.700 kJ/mol 05GAM/BUG - -analytic 31.36005E-1 00.00000E+0 -28.62403E+0 00.00000E+0 00.00000E+0 + -analytic 31.36005E-1 00E+0 -28.62403E+0 00E+0 00E+0 NiF2(s) -NiF2 = +1.000Ni+2 +2.000F- - log_k -0.18 - delta_h -68.412 #kJ/mol +NiF2 = Ni+2 + 2 F- + log_k -0.18 + delta_h -68.412 #kJ/mol # Enthalpy of formation: -657.300 kJ/mol 05GAM/BUG - -analytic -12.16527E+0 00.00000E+0 35.73408E+2 00.00000E+0 00.00000E+0 + -analytic -12.16527E+0 00E+0 35.73408E+2 00E+0 00E+0 NiI2(s) -NiI2 = +1.000Ni+2 +2.000I- - log_k +9.61 - delta_h -72.152 #kJ/mol +NiI2 = Ni+2 + 2 I- + log_k 9.61 + delta_h -72.152 #kJ/mol # Enthalpy of formation: -96.420 kJ/mol 05GAM/BUG - -analytic -30.30488E-1 00.00000E+0 37.68761E+2 00.00000E+0 00.00000E+0 + -analytic -30.30488E-1 00E+0 37.68761E+2 00E+0 00E+0 NiSe2(cr) -NiSe2 = +1.000Ni+2 -2.000H+ -2.000e- +2.000HSe- - log_k -26.90 - delta_h +89.088 #kJ/mol +NiSe2 = Ni+2 - 2 H+ - 2 e- + 2 HSe- + log_k -26.9 + delta_h 89.088 #kJ/mol # Enthalpy of formation: -115.500 kJ/mol 05OLI/NOL - -analytic -11.29245E+0 00.00000E+0 -46.53390E+2 00.00000E+0 00.00000E+0 + -analytic -11.29245E+0 00E+0 -46.5339E+2 00E+0 00E+0 Nontronite_Nau-2 -Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 = +0.247Ca+2 +0.068Mg+2 +0.020K+ +1.688Fe+3 +0.818Al+3 -8.168H+ +3.458H4(SiO4) -1.832H2O - log_k +1.30 - delta_h -189.304 #kJ/mol +Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 = 0.247 Ca+2 + 0.068 Mg+2 + 0.02 K+ + 1.688 Fe+3 + 0.818 Al+3 - 8.168 H+ + 3.458 H4(SiO4) - 1.832 H2O + log_k 1.3 + delta_h -189.304 #kJ/mol # Enthalpy of formation: -5035.690 kJ/mol 13GAI/BLA - -analytic -31.86464E+0 00.00000E+0 98.88037E+2 00.00000E+0 00.00000E+0 - -Vm 136.380 + -analytic -31.86464E+0 00E+0 98.88037E+2 00E+0 00E+0 + -Vm 136.38 Nontronite-Ca -Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 = +0.170Ca+2 +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k -2.86 - delta_h -147.690 #kJ/mol +Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.17 Ca+2 + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k -2.86 + delta_h -147.69 #kJ/mol # Enthalpy of formation: -4982.320 kJ/mol 15BLA/VIE - -analytic -28.73418E+0 00.00000E+0 77.14386E+2 00.00000E+0 00.00000E+0 - -Vm 133.740 + -analytic -28.73418E+0 00E+0 77.14386E+2 00E+0 00E+0 + -Vm 133.74 Nontronite-K -K0.34Fe1.67Al0.67Si3.66O10(OH)2 = +0.340K+ +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k -4.03 - delta_h -129.158 #kJ/mol +K0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.34 K+ + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k -4.03 + delta_h -129.158 #kJ/mol # Enthalpy of formation: -4994.270 kJ/mol 15BLA/VIE - -analytic -26.65751E+0 00.00000E+0 67.46392E+2 00.00000E+0 00.00000E+0 - -Vm 132.850 + -analytic -26.65751E+0 00E+0 67.46392E+2 00E+0 00E+0 + -Vm 132.85 Nontronite-Mg -Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 = +0.170Mg+2 +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k -3.41 - delta_h -148.870 #kJ/mol +Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.17 Mg+2 + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k -3.41 + delta_h -148.87 #kJ/mol # Enthalpy of formation: -4968.220 kJ/mol 15BLA/VIE - -analytic -29.49090E+0 00.00000E+0 77.76022E+2 00.00000E+0 00.00000E+0 - -Vm 129.740 + -analytic -29.4909E+0 00E+0 77.76022E+2 00E+0 00E+0 + -Vm 129.74 Nontronite-Na -Na0.34Fe1.67Al0.67Si3.66O10(OH)2 = +0.340Na+ +1.670Fe+3 +0.670Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k -3.53 - delta_h -137.776 #kJ/mol +Na0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.34 Na+ + 1.67 Fe+3 + 0.67 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k -3.53 + delta_h -137.776 #kJ/mol # Enthalpy of formation: -4981.640 kJ/mol 15BLA/VIE - -analytic -27.66732E+0 00.00000E+0 71.96542E+2 00.00000E+0 00.00000E+0 - -Vm 132.120 + -analytic -27.66732E+0 00E+0 71.96542E+2 00E+0 00E+0 + -Vm 132.12 Np(cr) -Np = +1.000Np+3 +3.000e- - log_k +89.85 - delta_h -527.184 #kJ/mol +Np = Np+3 + 3 e- + log_k 89.85 + delta_h -527.184 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 01LEM/FUG - -analytic -25.08672E-1 00.00000E+0 27.53674E+3 00.00000E+0 00.00000E+0 + -analytic -25.08672E-1 00E+0 27.53674E+3 00E+0 00E+0 Np(HPO4)2(s) -Np(HPO4)2 = +1.000Np+4 -2.000H+ +2.000H2(PO4)- - log_k -16.06 #Estimated by correlation with An(III) in function of ionic radii - -analytic -16.06000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Np(HPO4)2 = Np+4 - 2 H+ + 2 H2(PO4)- + log_k -16.06 #Estimated by correlation with An(III) in function of ionic radii + -analytic -16.06E+0 00E+0 00E+0 00E+0 00E+0 Np(OH)3(s) -Np(OH)3 = +1.000Np+3 -3.000H+ +3.000H2O - log_k +18.00 #80ALL/KIP - -analytic 18.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Np(OH)3 = Np+3 - 3 H+ + 3 H2O + log_k 18 #80ALL/KIP + -analytic 18E+0 00E+0 00E+0 00E+0 00E+0 Np2O5(cr) -Np2O5 = +2.000NpO2+ -2.000H+ +1.000H2O - log_k +3.07 - delta_h -79.492 #kJ/mol +Np2O5 = 2 NpO2+ - 2 H+ + H2O + log_k 3.07 + delta_h -79.492 #kJ/mol # Enthalpy of formation: -2162.700 kJ/mol 01LEM/FUG - -analytic -10.85640E+0 00.00000E+0 41.52156E+2 00.00000E+0 00.00000E+0 + -analytic -10.8564E+0 00E+0 41.52156E+2 00E+0 00E+0 NpCO3OH(s) -Np(CO3)(OH) = +1.000Np+3 -1.000H+ +1.000CO3-2 +1.000H2O - log_k -6.35 #Estimated using the data for AmCO3OH(s) and the trend versus r identified for AnCO3OH·0.5H2O(s)(orthorhombic). - -analytic -63.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Np(CO3)(OH) = Np+3 - H+ + CO3-2 + H2O + log_k -6.35 #Estimated using the data for AmCO3OH(s) and the trend versus r identified for AnCO3OH·0.5H2O(s)(orthorhombic). + -analytic -63.5E-1 00E+0 00E+0 00E+0 00E+0 NpO2(cr) -NpO2 = +1.000Np+4 -4.000H+ +2.000H2O - log_k -9.75 - delta_h -53.682 #kJ/mol +NpO2 = Np+4 - 4 H+ + 2 H2O + log_k -9.75 + delta_h -53.682 #kJ/mol # Enthalpy of formation: -1074.000 kJ/mol 01LEM/FUG - -analytic -19.15468E+0 00.00000E+0 28.04006E+2 00.00000E+0 00.00000E+0 + -analytic -19.15468E+0 00E+0 28.04006E+2 00E+0 00E+0 NpO2(OH)2:H2O(cr) -NpO2(OH)2:H2O = +1.000NpO2+2 -2.000H+ +3.000H2O - log_k +5.47 #20GRE/GAO - -analytic 54.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +NpO2(OH)2:H2O = NpO2+2 - 2 H+ + 3 H2O + log_k 5.47 #20GRE/GAO + -analytic 54.7E-1 00E+0 00E+0 00E+0 00E+0 NpO2:2H2O(am) -NpO2:2H2O = +1.000Np+4 -4.000H+ +4.000H2O - log_k -0.70 #03GUI/FAN - delta_h -81.154 #kJ/mol -# Enthalpy of formation: -1618.186 kJ/mol - -analytic -14.91757E+0 00.00000E+0 42.38969E+2 00.00000E+0 00.00000E+0 +NpO2:2H2O = Np+4 - 4 H+ + 4 H2O + log_k -0.7 #03GUI/FAN + delta_h -81.154 #kJ/mol +# Enthalpy of formation: -1618.186 kJ/mol + -analytic -14.91757E+0 00E+0 42.38969E+2 00E+0 00E+0 NpO2CO3(cr) -NpO2CO3 = +1.000NpO2+2 +1.000CO3-2 - log_k -14.83 #20GRE/GAO - -analytic -14.83000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +NpO2CO3 = NpO2+2 + CO3-2 + log_k -14.83 #20GRE/GAO + -analytic -14.83E+0 00E+0 00E+0 00E+0 00E+0 NpO2OH(am) -NpO2OH = +1.000NpO2+ -1.000H+ +1.000H2O - log_k +5.30 #01LEM/FUG - delta_h -41.111 #kJ/mol +NpO2OH = NpO2+ - H+ + H2O + log_k 5.3 #01LEM/FUG + delta_h -41.111 #kJ/mol # Enthalpy of formation: -1222.900 kJ/mol 01LEM/FUG - -analytic -19.02338E-1 00.00000E+0 21.47377E+2 00.00000E+0 00.00000E+0 + -analytic -19.02338E-1 00E+0 21.47377E+2 00E+0 00E+0 Okenite -CaSi2O5:2H2O = +1.000Ca+2 -2.000H+ +2.000H4(SiO4) -1.000H2O - log_k +9.18 - delta_h -44.388 #kJ/mol +CaSi2O5:2H2O = Ca+2 - 2 H+ + 2 H4(SiO4) - H2O + log_k 9.18 + delta_h -44.388 #kJ/mol # Enthalpy of formation: -3135.170 kJ/mol 10BLA/BOU1 - -analytic 14.03556E-1 00.00000E+0 23.18547E+2 00.00000E+0 00.00000E+0 - -Vm 94.770 + -analytic 14.03556E-1 00E+0 23.18547E+2 00E+0 00E+0 + -Vm 94.77 Olivine -Ni2(SiO4) = +2.000Ni+2 -4.000H+ +1.000H4(SiO4) - log_k +19.68 - delta_h -175.218 #kJ/mol +Ni2(SiO4) = 2 Ni+2 - 4 H+ + H4(SiO4) + log_k 19.68 + delta_h -175.218 #kJ/mol # Enthalpy of formation: -1396.000 kJ/mol 05GAM/BUG - -analytic -11.01688E+0 00.00000E+0 91.52274E+2 00.00000E+0 00.00000E+0 + -analytic -11.01688E+0 00E+0 91.52274E+2 00E+0 00E+0 Orpiment -As2S3 = +13.000H+ +4.000e- +3.000HS- +2.000AsO4-3 -8.000H2O - log_k -127.46 - delta_h +552.680 #kJ/mol -# Enthalpy of formation: -91.223 kJ/mol - -analytic -30.63462E+0 00.00000E+0 -28.86849E+3 00.00000E+0 00.00000E+0 +As2S3 = 13 H+ + 4 e- + 3 HS- + 2 AsO4-3 - 8 H2O + log_k -127.46 + delta_h 552.68 #kJ/mol +# Enthalpy of formation: -91.223 kJ/mol + -analytic -30.63462E+0 00E+0 -28.86849E+3 00E+0 00E+0 P(cr) -P = +6.000H+ +5.000e- +1.000H2(PO4)- -4.000H2O - log_k +33.04 - delta_h -159.280 #kJ/mol +P = 6 H+ + 5 e- + H2(PO4)- - 4 H2O + log_k 33.04 + delta_h -159.28 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic 51.35342E-1 00.00000E+0 83.19774E+2 00.00000E+0 00.00000E+0 + -analytic 51.35342E-1 00E+0 83.19774E+2 00E+0 00E+0 Pa(cr) -Pa = +4.000e- +1.000Pa+4 - log_k +98.75 - delta_h -620.000 #kJ/mol +Pa = 4 e- + Pa+4 + log_k 98.75 + delta_h -620 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 85BAR/PAR - -analytic -98.69337E-1 00.00000E+0 32.38486E+3 00.00000E+0 00.00000E+0 + -analytic -98.69337E-1 00E+0 32.38486E+3 00E+0 00E+0 Pa2O5(s) -Pa2O5 = -2.000H+ +2.000PaO2+ +1.000H2O - log_k -4.00 #76BAE/MES; Uncertainty to include available data. - -analytic -40.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Pa2O5 = -2 H+ + 2 PaO2+ + H2O + log_k -4 #76BAE/MES; Uncertainty to include available data. + -analytic -40E-1 00E+0 00E+0 00E+0 00E+0 PaO2(s) -PaO2 = -4.000H+ +1.000Pa+4 +2.000H2O - log_k +0.60 #76BAE/MES - -analytic 60.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +PaO2 = -4 H+ + Pa+4 + 2 H2O + log_k 0.6 #76BAE/MES + -analytic 60E-2 00E+0 00E+0 00E+0 00E+0 Paragonite -NaAl3Si3O10(OH)2 = +1.000Na+ +3.000Al+3 -10.000H+ +3.000H4(SiO4) - log_k +16.79 - delta_h -301.622 #kJ/mol +NaAl3Si3O10(OH)2 = Na+ + 3 Al+3 - 10 H+ + 3 H4(SiO4) + log_k 16.79 + delta_h -301.622 #kJ/mol # Enthalpy of formation: -5937.500 kJ/mol 96ROU/HOV - -analytic -36.05191E+0 00.00000E+0 15.75481E+3 00.00000E+0 00.00000E+0 - -Vm 132.100 + -analytic -36.05191E+0 00E+0 15.75481E+3 00E+0 00E+0 + -Vm 132.1 Paralaurionite -PbCl(OH) = +1.000Pb+2 -1.000H+ +1.000Cl- +1.000H2O - log_k +0.62 #99LOT/OCH - -analytic 62.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +PbCl(OH) = Pb+2 - H+ + Cl- + H2O + log_k 0.62 #99LOT/OCH + -analytic 62E-2 00E+0 00E+0 00E+0 00E+0 Pb(cr) -Pb = +1.000Pb+2 +2.000e- - log_k +4.25 - delta_h +0.920 #kJ/mol +Pb = Pb+2 + 2 e- + log_k 4.25 + delta_h 0.92 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic 44.11177E-1 00.00000E+0 -48.05495E+0 00.00000E+0 00.00000E+0 + -analytic 44.11177E-1 00E+0 -48.05495E+0 00E+0 00E+0 Pb(H2PO4)2(cr) -Pb(H2PO4)2 = +1.000Pb+2 +2.000H2(PO4)- - log_k -9.84 #74NRI - -analytic -98.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Pb(H2PO4)2 = Pb+2 + 2 H2(PO4)- + log_k -9.84 #74NRI + -analytic -98.4E-1 00E+0 00E+0 00E+0 00E+0 Pb(HPO4)(s) -Pb(HPO4) = +1.000Pb+2 -1.000H+ +1.000H2(PO4)- - log_k -4.25 #74NRI - delta_h +16.436 #kJ/mol -# Enthalpy of formation: -1318.115 kJ/mol - -analytic -13.70536E-1 00.00000E+0 -85.85121E+1 00.00000E+0 00.00000E+0 +Pb(HPO4) = Pb+2 - H+ + H2(PO4)- + log_k -4.25 #74NRI + delta_h 16.436 #kJ/mol +# Enthalpy of formation: -1318.115 kJ/mol + -analytic -13.70536E-1 00E+0 -85.85121E+1 00E+0 00E+0 Pb(OH)2(s) -Pb(OH)2 = +1.000Pb+2 -2.000H+ +2.000H2O - log_k +13.51 - delta_h -56.140 #kJ/mol +Pb(OH)2 = Pb+2 - 2 H+ + 2 H2O + log_k 13.51 + delta_h -56.14 #kJ/mol # Enthalpy of formation: -514.600 kJ/mol 52LAT; Uncertainty to cover available data. - -analytic 36.74694E-1 00.00000E+0 29.32396E+2 00.00000E+0 00.00000E+0 + -analytic 36.74694E-1 00E+0 29.32396E+2 00E+0 00E+0 Pb(Ox)(cr) -Pb(Ox) = +1.000Pb+2 +1.000Ox-2 - log_k -11.13 #13XIO/KIR - -analytic -11.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Pb(Ox) = Pb+2 + Ox-2 + log_k -11.13 #13XIO/KIR + -analytic -11.13E+0 00E+0 00E+0 00E+0 00E+0 Pb(SeO3)(s) -Pb(SeO3) = +1.000Pb+2 +1.000SeO3-2 - log_k -12.50 #05OLI/NOL - delta_h +25.840 #kJ/mol +Pb(SeO3) = Pb+2 + SeO3-2 + log_k -12.5 #05OLI/NOL + delta_h 25.84 #kJ/mol # Enthalpy of formation: -532.080 kJ/mol 05OLI/NOL - -analytic -79.73026E-1 00.00000E+0 -13.49717E+2 00.00000E+0 00.00000E+0 + -analytic -79.73026E-1 00E+0 -13.49717E+2 00E+0 00E+0 Pb(SeO4)(s) -Pb(SeO4) = +1.000Pb+2 +1.000SeO4-2 - log_k -6.90 #05OLI/NOL - delta_h +4.720 #kJ/mol 05OLI/NOL -# Enthalpy of formation: -607.300 kJ/mol - -analytic -60.73091E-1 00.00000E+0 -24.65428E+1 00.00000E+0 00.00000E+0 +Pb(SeO4) = Pb+2 + SeO4-2 + log_k -6.9 #05OLI/NOL + delta_h 4.72 #kJ/mol 05OLI/NOL +# Enthalpy of formation: -607.300 kJ/mol + -analytic -60.73091E-1 00E+0 -24.65428E+1 00E+0 00E+0 Pb2(SiO4)(s) -Pb2(SiO4) = +2.000Pb+2 -4.000H+ +1.000H4(SiO4) - log_k +15.89 - delta_h -81.474 #kJ/mol +Pb2(SiO4) = 2 Pb+2 - 4 H+ + H4(SiO4) + log_k 15.89 + delta_h -81.474 #kJ/mol # Enthalpy of formation: -1377.880 kJ/mol 98CHA - -analytic 16.16368E-1 00.00000E+0 42.55683E+2 00.00000E+0 00.00000E+0 + -analytic 16.16368E-1 00E+0 42.55683E+2 00E+0 00E+0 Pb3(AsO4)2(s) -Pb3(AsO4)2 = +3.000Pb+2 +2.000AsO4-3 - log_k -35.40 #74NAU/RYZ - -analytic -35.40000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Pb3(AsO4)2 = 3 Pb+2 + 2 AsO4-3 + log_k -35.4 #74NAU/RYZ + -analytic -35.4E+0 00E+0 00E+0 00E+0 00E+0 Pb3(PO4)2(s) -Pb3(PO4)2 = +3.000Pb+2 -4.000H+ +2.000H2(PO4)- - log_k -5.26 #74NRI - delta_h -3.548 #kJ/mol -# Enthalpy of formation: -2598.892 kJ/mol - -analytic -58.81583E-1 00.00000E+0 18.53249E+1 00.00000E+0 00.00000E+0 +Pb3(PO4)2 = 3 Pb+2 - 4 H+ + 2 H2(PO4)- + log_k -5.26 #74NRI + delta_h -3.548 #kJ/mol +# Enthalpy of formation: -2598.892 kJ/mol + -analytic -58.81583E-1 00E+0 18.53249E+1 00E+0 00E+0 Pb4O(PO4)2(cr) -Pb4O(PO4)2 = +4.000Pb+2 -6.000H+ +2.000H2(PO4)- +1.000H2O - log_k +2.24 #74NRI - -analytic 22.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Pb4O(PO4)2 = 4 Pb+2 - 6 H+ + 2 H2(PO4)- + H2O + log_k 2.24 #74NRI + -analytic 22.4E-1 00E+0 00E+0 00E+0 00E+0 PbB2O4(s) -PbB2O4 = +1.000Pb+2 +2.000B(OH)4- -4.000H2O - log_k -10.87 #91BAL/NOR - delta_h +2.761 #kJ/mol 91BAL/NOR -# Enthalpy of formation: -1548.753 kJ/mol - -analytic -10.38629E+0 00.00000E+0 -14.42171E+1 00.00000E+0 00.00000E+0 +PbB2O4 = Pb+2 + 2 B(OH)4- - 4 H2O + log_k -10.87 #91BAL/NOR + delta_h 2.761 #kJ/mol 91BAL/NOR +# Enthalpy of formation: -1548.753 kJ/mol + -analytic -10.38629E+0 00E+0 -14.42171E+1 00E+0 00E+0 PbF2(s) -PbF2 = +1.000Pb+2 +2.000F- - log_k -7.52 #99LOT/OCH - delta_h +6.530 #kJ/mol -# Enthalpy of formation: -676.309 kJ/mol - -analytic -63.75993E-1 00.00000E+0 -34.10857E+1 00.00000E+0 00.00000E+0 +PbF2 = Pb+2 + 2 F- + log_k -7.52 #99LOT/OCH + delta_h 6.53 #kJ/mol +# Enthalpy of formation: -676.309 kJ/mol + -analytic -63.75993E-1 00E+0 -34.10857E+1 00E+0 00E+0 PbI2(cr) -PbI2 = +1.000Pb+2 +2.000I- - log_k -8.05 - delta_h +62.816 #kJ/mol -# Enthalpy of formation: -175.456 kJ/mol - -analytic 29.54891E-1 00.00000E+0 -32.81108E+2 00.00000E+0 00.00000E+0 +PbI2 = Pb+2 + 2 I- + log_k -8.05 + delta_h 62.816 #kJ/mol +# Enthalpy of formation: -175.456 kJ/mol + -analytic 29.54891E-1 00E+0 -32.81108E+2 00E+0 00E+0 PbMoO4(s) -PbMoO4 = +1.000Pb+2 +1.000MoO4-2 - log_k -15.80 - delta_h +55.795 #kJ/mol -# Enthalpy of formation: -1051.875 kJ/mol - -analytic -60.25136E-1 00.00000E+0 -29.14376E+2 00.00000E+0 00.00000E+0 +PbMoO4 = Pb+2 + MoO4-2 + log_k -15.8 + delta_h 55.795 #kJ/mol +# Enthalpy of formation: -1051.875 kJ/mol + -analytic -60.25136E-1 00E+0 -29.14376E+2 00E+0 00E+0 PbSiO3(Glass) -PbSiO3 = +1.000Pb+2 -2.000H+ +1.000H4(SiO4) -1.000H2O - log_k +6.60 - delta_h -36.814 #kJ/mol +PbSiO3 = Pb+2 - 2 H+ + H4(SiO4) - H2O + log_k 6.6 + delta_h -36.814 #kJ/mol # Enthalpy of formation: -1137.630 kJ/mol 74NAU/RYZ - -analytic 15.04641E-2 00.00000E+0 19.22929E+2 00.00000E+0 00.00000E+0 + -analytic 15.04641E-2 00E+0 19.22929E+2 00E+0 00E+0 Pd(cr) -Pd = +1.000Pd+2 +2.000e- - log_k -33.03 - delta_h +189.889 #kJ/mol +Pd = Pd+2 + 2 e- + log_k -33.03 + delta_h 189.889 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 79ROB/HEM in 98SAS/SHO - -analytic 23.71248E-2 00.00000E+0 -99.18593E+2 00.00000E+0 00.00000E+0 + -analytic 23.71248E-2 00E+0 -99.18593E+2 00E+0 00E+0 Pd(OH)2(am) -Pd(OH)2 = -2.000H+ +1.000Pd+2 +2.000H2O - log_k -3.58 #12RAI/YUI - delta_h +13.229 #kJ/mol +Pd(OH)2 = -2 H+ + Pd+2 + 2 H2O + log_k -3.58 #12RAI/YUI + delta_h 13.229 #kJ/mol # Enthalpy of formation: -395.000 kJ/mol 82WAG/EVA - -analytic -12.62379E-1 00.00000E+0 -69.09988E+1 00.00000E+0 00.00000E+0 + -analytic -12.62379E-1 00E+0 -69.09988E+1 00E+0 00E+0 PdBr2(cr) -PdBr2 = +1.000Pd+2 +2.000Br- - log_k -13.31 #89BAE/McK - delta_h +51.269 #kJ/mol +PdBr2 = Pd+2 + 2 Br- + log_k -13.31 #89BAE/McK + delta_h 51.269 #kJ/mol # Enthalpy of formation: -104.200 kJ/mol 89BAE/McK - -analytic -43.28057E-1 00.00000E+0 -26.77966E+2 00.00000E+0 00.00000E+0 + -analytic -43.28057E-1 00E+0 -26.77966E+2 00E+0 00E+0 PdCl2(cr) -PdCl2 = +1.000Pd+2 +2.000Cl- - log_k -9.20 - delta_h +54.429 #kJ/mol +PdCl2 = Pd+2 + 2 Cl- + log_k -9.2 + delta_h 54.429 #kJ/mol # Enthalpy of formation: -198.700 kJ/mol 82WAG/EVA - -analytic 33.55515E-2 00.00000E+0 -28.43025E+2 00.00000E+0 00.00000E+0 + -analytic 33.55515E-2 00E+0 -28.43025E+2 00E+0 00E+0 PdI2(cr) -PdI2 = +1.000Pd+2 +2.000I- - log_k -25.87 - delta_h +139.929 #kJ/mol +PdI2 = Pd+2 + 2 I- + log_k -25.87 + delta_h 139.929 #kJ/mol # Enthalpy of formation: -63.600 kJ/mol 89BAE/McK - -analytic -13.55492E-1 00.00000E+0 -73.09001E+2 00.00000E+0 00.00000E+0 + -analytic -13.55492E-1 00E+0 -73.09001E+2 00E+0 00E+0 PdO(s) -PdO = -2.000H+ +1.000Pd+2 +1.000H2O - log_k -6.02 - delta_h -10.541 #kJ/mol +PdO = -2 H+ + Pd+2 + H2O + log_k -6.02 + delta_h -10.541 #kJ/mol # Enthalpy of formation: -85.400 kJ/mol 82WAG/EVA - -analytic -78.66704E-1 00.00000E+0 55.05948E+1 00.00000E+0 00.00000E+0 + -analytic -78.66704E-1 00E+0 55.05948E+1 00E+0 00E+0 PdS(s) -PdS = -1.000H+ +1.000Pd+2 +1.000HS- - log_k -46.86 - delta_h +244.299 #kJ/mol +PdS = - H+ + Pd+2 + HS- + log_k -46.86 + delta_h 244.299 #kJ/mol # Enthalpy of formation: -70.710 kJ/mol 74MIL - -analytic -40.60652E-1 00.00000E+0 -12.76063E+3 00.00000E+0 00.00000E+0 + -analytic -40.60652E-1 00E+0 -12.76063E+3 00E+0 00E+0 PdSe(s) -PdSe = -1.000H+ +1.000Pd+2 +1.000HSe- - log_k -49.11 - delta_h +254.469 #kJ/mol +PdSe = - H+ + Pd+2 + HSe- + log_k -49.11 + delta_h 254.469 #kJ/mol # Enthalpy of formation: -50.280 kJ/mol 74MIL - -analytic -45.28945E-1 00.00000E+0 -13.29184E+3 00.00000E+0 00.00000E+0 + -analytic -45.28945E-1 00E+0 -13.29184E+3 00E+0 00E+0 Pentahydrite -MgSO4:5H2O = +1.000Mg+2 +1.000SO4-2 +5.000H2O - log_k -1.28 #80HAR/WEA - delta_h -14.187 #kJ/mol -# Enthalpy of formation: -2791.300 kJ/mol - -analytic -37.65456E-1 00.00000E+0 74.10386E+1 00.00000E+0 00.00000E+0 +MgSO4:5H2O = Mg+2 + SO4-2 + 5 H2O + log_k -1.28 #80HAR/WEA + delta_h -14.187 #kJ/mol +# Enthalpy of formation: -2791.300 kJ/mol + -analytic -37.65456E-1 00E+0 74.10386E+1 00E+0 00E+0 Periclase -MgO = +1.000Mg+2 -2.000H+ +1.000H2O - log_k +21.58 - delta_h -151.230 #kJ/mol +MgO = Mg+2 - 2 H+ + H2O + log_k 21.58 + delta_h -151.23 #kJ/mol # Enthalpy of formation: -601.600 kJ/mol 89COX/WAG - -analytic -49.14359E-1 00.00000E+0 78.99293E+2 00.00000E+0 00.00000E+0 - -Vm 11.250 + -analytic -49.14359E-1 00E+0 78.99293E+2 00E+0 00E+0 + -Vm 11.25 Phillipsite_Ca -Ca0.5AlSi3O8:3H2O = +0.500Ca+2 +1.000Al+3 -4.000H+ +3.000H4(SiO4) -1.000H2O - log_k +2.32 #09BLA - delta_h -83.633 #kJ/mol -# Enthalpy of formation: -4824.020 kJ/mol - -analytic -12.33187E+0 00.00000E+0 43.68456E+2 00.00000E+0 00.00000E+0 - -Vm 151.150 +Ca0.5AlSi3O8:3H2O = 0.5 Ca+2 + Al+3 - 4 H+ + 3 H4(SiO4) - H2O + log_k 2.32 #09BLA + delta_h -83.633 #kJ/mol +# Enthalpy of formation: -4824.020 kJ/mol + -analytic -12.33187E+0 00E+0 43.68456E+2 00E+0 00E+0 + -Vm 151.15 Phillipsite_K -KAlSi3O8:3H2O = +1.000K+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -1.000H2O - log_k +0.04 #09BLA - delta_h -46.436 #kJ/mol -# Enthalpy of formation: -4841.858 kJ/mol - -analytic -80.95238E-1 00.00000E+0 24.25521E+2 00.00000E+0 00.00000E+0 - -Vm 148.970 +KAlSi3O8:3H2O = K+ + Al+3 - 4 H+ + 3 H4(SiO4) - H2O + log_k 0.04 #09BLA + delta_h -46.436 #kJ/mol +# Enthalpy of formation: -4841.858 kJ/mol + -analytic -80.95238E-1 00E+0 24.25521E+2 00E+0 00E+0 + -Vm 148.97 Phillipsite_Na -NaAlSi3O8:3H2O = +1.000Na+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -1.000H2O - log_k +1.45 #09BLA - delta_h -64.833 #kJ/mol -# Enthalpy of formation: -4811.661 kJ/mol - -analytic -99.08254E-1 00.00000E+0 33.86463E+2 00.00000E+0 00.00000E+0 - -Vm 149.690 +NaAlSi3O8:3H2O = Na+ + Al+3 - 4 H+ + 3 H4(SiO4) - H2O + log_k 1.45 #09BLA + delta_h -64.833 #kJ/mol +# Enthalpy of formation: -4811.661 kJ/mol + -analytic -99.08254E-1 00E+0 33.86463E+2 00E+0 00E+0 + -Vm 149.69 Phlogopite_K -KMg3Si3AlO10(OH)2 = +3.000Mg+2 +1.000K+ +1.000Al+3 -10.000H+ +3.000H4(SiO4) - log_k +41.08 - delta_h -360.122 #kJ/mol +KMg3Si3AlO10(OH)2 = 3 Mg+2 + K+ + Al+3 - 10 H+ + 3 H4(SiO4) + log_k 41.08 + delta_h -360.122 #kJ/mol # Enthalpy of formation: -6215.000 kJ/mol 92CIR/NAV - -analytic -22.01067E+0 00.00000E+0 18.81048E+3 00.00000E+0 00.00000E+0 - -Vm 149.650 + -analytic -22.01067E+0 00E+0 18.81048E+3 00E+0 00E+0 + -Vm 149.65 Phlogopite_Na -NaMg3AlSi3O10(OH)2 = +3.000Mg+2 +1.000Na+ +1.000Al+3 -10.000H+ +3.000H4(SiO4) - log_k +44.18 - delta_h -391.182 #kJ/mol +NaMg3AlSi3O10(OH)2 = 3 Mg+2 + Na+ + Al+3 - 10 H+ + 3 H4(SiO4) + log_k 44.18 + delta_h -391.182 #kJ/mol # Enthalpy of formation: -6172.140 kJ/mol 98HOL/POW - -analytic -24.35214E+0 00.00000E+0 20.43286E+3 00.00000E+0 00.00000E+0 - -Vm 144.500 + -analytic -24.35214E+0 00E+0 20.43286E+3 00E+0 00E+0 + -Vm 144.5 Phosgenite -Pb2(CO3)Cl2 = +2.000Pb+2 +1.000CO3-2 +2.000Cl- - log_k +19.90 #74NAU/RYZ - delta_h -163.291 #kJ/mol -# Enthalpy of formation: -844.259 kJ/mol - -analytic -87.07355E-1 00.00000E+0 85.29283E+2 00.00000E+0 00.00000E+0 +Pb2(CO3)Cl2 = 2 Pb+2 + CO3-2 + 2 Cl- + log_k 19.9 #74NAU/RYZ + delta_h -163.291 #kJ/mol +# Enthalpy of formation: -844.259 kJ/mol + -analytic -87.07355E-1 00E+0 85.29283E+2 00E+0 00E+0 Picromerite -K2Mg(SO4)2:6H2O = +1.000Mg+2 +2.000K+ +2.000SO4-2 +6.000H2O - log_k -4.33 #84HAR/MOL - delta_h +33.487 #kJ/mol +K2Mg(SO4)2:6H2O = Mg+2 + 2 K+ + 2 SO4-2 + 6 H2O + log_k -4.33 #84HAR/MOL + delta_h 33.487 #kJ/mol # Enthalpy of formation: -4538.427 kJ/mol 74NAU/RYZ - -analytic 15.36671E-1 00.00000E+0 -17.49148E+2 00.00000E+0 00.00000E+0 + -analytic 15.36671E-1 00E+0 -17.49148E+2 00E+0 00E+0 Pirssonite -Na2Ca(CO3)2:2H2O = +1.000Ca+2 +2.000Na+ +2.000CO3-2 +2.000H2O - log_k -8.91 #99KON/KON - delta_h +9.579 #kJ/mol -# Enthalpy of formation: -2955.379 kJ/mol - -analytic -72.31831E-1 00.00000E+0 -50.03460E+1 00.00000E+0 00.00000E+0 +Na2Ca(CO3)2:2H2O = Ca+2 + 2 Na+ + 2 CO3-2 + 2 H2O + log_k -8.91 #99KON/KON + delta_h 9.579 #kJ/mol +# Enthalpy of formation: -2955.379 kJ/mol + -analytic -72.31831E-1 00E+0 -50.0346E+1 00E+0 00E+0 Plattnerite -PbO2 = +1.000Pb+2 -4.000H+ -2.000e- +2.000H2O - log_k +49.60 - delta_h -296.270 #kJ/mol +PbO2 = Pb+2 - 4 H+ - 2 e- + 2 H2O + log_k 49.6 + delta_h -296.27 #kJ/mol # Enthalpy of formation: -274.470 kJ/mol 98CHA - -analytic -23.04276E-1 00.00000E+0 15.47526E+3 00.00000E+0 00.00000E+0 + -analytic -23.04276E-1 00E+0 15.47526E+3 00E+0 00E+0 Plumbogummite -PbAl3(PO4)2(OH)5:H2O = +1.000Pb+2 +3.000Al+3 -9.000H+ +2.000H2(PO4)- +6.000H2O - log_k +13.24 #74NRI - -analytic 13.24000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +PbAl3(PO4)2(OH)5:H2O = Pb+2 + 3 Al+3 - 9 H+ + 2 H2(PO4)- + 6 H2O + log_k 13.24 #74NRI + -analytic 13.24E+0 00E+0 00E+0 00E+0 00E+0 Plumbonacrite -Pb10(CO3)6O(OH)6 = +10.000Pb+2 -8.000H+ +6.000CO3-2 +7.000H2O - log_k -42.09 - -analytic -42.09000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Pb10(CO3)6O(OH)6 = 10 Pb+2 - 8 H+ + 6 CO3-2 + 7 H2O + log_k -42.09 + -analytic -42.09E+0 00E+0 00E+0 00E+0 00E+0 Polydymite -Ni3S4 = +3.000Ni+2 -4.000H+ -2.000e- +4.000HS- - log_k -39.27 - delta_h +96.116 #kJ/mol +Ni3S4 = 3 Ni+2 - 4 H+ - 2 e- + 4 HS- + log_k -39.27 + delta_h 96.116 #kJ/mol # Enthalpy of formation: -326.352 kJ/mol 74MIL - -analytic -22.43120E+0 00.00000E+0 -50.20488E+2 00.00000E+0 00.00000E+0 + -analytic -22.4312E+0 00E+0 -50.20488E+2 00E+0 00E+0 Polyhalite -K2MgCa2(SO4)4:2H2O = +2.000Ca+2 +1.000Mg+2 +2.000K+ +4.000SO4-2 +2.000H2O - log_k -13.74 #84HAR/MOL - -analytic -13.74000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +K2MgCa2(SO4)4:2H2O = 2 Ca+2 + Mg+2 + 2 K+ + 4 SO4-2 + 2 H2O + log_k -13.74 #84HAR/MOL + -analytic -13.74E+0 00E+0 00E+0 00E+0 00E+0 Portlandite -Ca(OH)2 = +1.000Ca+2 -2.000H+ +2.000H2O - log_k +22.81 #10BLA/BOU1 - delta_h -130.107 #kJ/mol -# Enthalpy of formation: -984.552 kJ/mol - -analytic 16.23204E-3 00.00000E+0 67.95962E+2 00.00000E+0 00.00000E+0 - -Vm 33.060 +Ca(OH)2 = Ca+2 - 2 H+ + 2 H2O + log_k 22.81 #10BLA/BOU1 + delta_h -130.107 #kJ/mol +# Enthalpy of formation: -984.552 kJ/mol + -analytic 16.23204E-3 00E+0 67.95962E+2 00E+0 00E+0 + -Vm 33.06 Pu(cr) -Pu = +1.000Pu+3 +3.000e- - log_k +101.43 - delta_h -591.790 #kJ/mol +Pu = Pu+3 + 3 e- + log_k 101.43 + delta_h -591.79 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 01LEM/FUG - -analytic -22.47158E-1 00.00000E+0 30.91134E+3 00.00000E+0 00.00000E+0 + -analytic -22.47158E-1 00E+0 30.91134E+3 00E+0 00E+0 Pu(HPO4)2(am,hyd) -Pu(HPO4)2 = +1.000Pu+4 -2.000H+ +2.000H2(PO4)- - log_k -16.03 #01LEM/FUG - delta_h -32.691 #kJ/mol -# Enthalpy of formation: -3112.403 kJ/mol - -analytic -21.75722E+0 00.00000E+0 17.07570E+2 00.00000E+0 00.00000E+0 +Pu(HPO4)2 = Pu+4 - 2 H+ + 2 H2(PO4)- + log_k -16.03 #01LEM/FUG + delta_h -32.691 #kJ/mol +# Enthalpy of formation: -3112.403 kJ/mol + -analytic -21.75722E+0 00E+0 17.0757E+2 00E+0 00E+0 Pu(OH)3(am) -Pu(OH)3 = +1.000Pu+3 -3.000H+ +3.000H2O - log_k +14.58 #20GRE/GAO - -analytic 14.58000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Pu(OH)3 = Pu+3 - 3 H+ + 3 H2O + log_k 14.58 #20GRE/GAO + -analytic 14.58E+0 00E+0 00E+0 00E+0 00E+0 Pu(PO4)(am) -Pu(PO4) = +1.000Pu+3 -2.000H+ +1.000H2(PO4)- - log_k -4.88 #20GRE/GAO - -analytic -48.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Pu(PO4) = Pu+3 - 2 H+ + H2(PO4)- + log_k -4.88 #20GRE/GAO + -analytic -48.8E-1 00E+0 00E+0 00E+0 00E+0 Pu2O3(s) -Pu2O3 = +2.000Pu+3 -6.000H+ +3.000H2O - log_k +50.63 - delta_h -385.070 #kJ/mol +Pu2O3 = 2 Pu+3 - 6 H+ + 3 H2O + log_k 50.63 + delta_h -385.07 #kJ/mol # Enthalpy of formation: -1656.000 kJ/mol 01LEM/FUG - -analytic -16.83137E+0 00.00000E+0 20.11361E+3 00.00000E+0 00.00000E+0 + -analytic -16.83137E+0 00E+0 20.11361E+3 00E+0 00E+0 PuAs(s) -PuAs = +1.000PuO2+2 +12.000H+ +11.000e- +1.000AsO4-3 -6.000H2O - log_k -44.42 - delta_h +244.804 #kJ/mol +PuAs = PuO2+2 + 12 H+ + 11 e- + AsO4-3 - 6 H2O + log_k -44.42 + delta_h 244.804 #kJ/mol # Enthalpy of formation: -240.000 kJ/mol 01LEM/FUG - -analytic -15.32180E-1 00.00000E+0 -12.78700E+3 00.00000E+0 00.00000E+0 + -analytic -15.3218E-1 00E+0 -12.787E+3 00E+0 00E+0 PuCO3OH(s) -Pu(CO3)(OH) = +1.000Pu+3 -1.000H+ +1.000CO3-2 +1.000H2O - log_k -6.27 #Estimated using the data for AmCO3OH(s) and the trend versus r identified for AnCO3OH·0.5H2O(s)(orthorhombic). - -analytic -62.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Pu(CO3)(OH) = Pu+3 - H+ + CO3-2 + H2O + log_k -6.27 #Estimated using the data for AmCO3OH(s) and the trend versus r identified for AnCO3OH·0.5H2O(s)(orthorhombic). + -analytic -62.7E-1 00E+0 00E+0 00E+0 00E+0 PuF4(s) -PuF4 = +1.000Pu+4 +4.000F- - log_k -26.07 #01LEM/FUG - -analytic -26.07000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +PuF4 = Pu+4 + 4 F- + log_k -26.07 #01LEM/FUG + -analytic -26.07E+0 00E+0 00E+0 00E+0 00E+0 PuO2(CO3)(cr) -PuO2(CO3) = +1.000PuO2+2 +1.000CO3-2 - log_k -14.82 #20GRE/GAO - -analytic -14.82000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +PuO2(CO3) = PuO2+2 + CO3-2 + log_k -14.82 #20GRE/GAO + -analytic -14.82E+0 00E+0 00E+0 00E+0 00E+0 PuO2(coll) -PuO2 = +1.000Pu+4 -4.000H+ +2.000H2O - log_k +0.20 #07NEC/ALT3 - -analytic 20.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +PuO2 = Pu+4 - 4 H+ + 2 H2O + log_k 0.2 #07NEC/ALT3 + -analytic 20E-2 00E+0 00E+0 00E+0 00E+0 PuO2(cr) -PuO2 = +1.000Pu+4 -4.000H+ +2.000H2O - log_k -8.03 - delta_h -55.755 #kJ/mol +PuO2 = Pu+4 - 4 H+ + 2 H2O + log_k -8.03 + delta_h -55.755 #kJ/mol # Enthalpy of formation: -1055.800 kJ/mol 01LEM/FUG - -analytic -17.79786E+0 00.00000E+0 29.12286E+2 00.00000E+0 00.00000E+0 + -analytic -17.79786E+0 00E+0 29.12286E+2 00E+0 00E+0 PuO2(OH)2:H2O(am) -PuO2(OH)2:H2O = +1.000PuO2+2 -2.000H+ +3.000H2O - log_k +5.17 #20GRE/GAO - delta_h -44.834 #kJ/mol -# Enthalpy of formation: -1634.691 kJ/mol - -analytic -26.84580E-1 00.00000E+0 23.41843E+2 00.00000E+0 00.00000E+0 +PuO2(OH)2:H2O = PuO2+2 - 2 H+ + 3 H2O + log_k 5.17 #20GRE/GAO + delta_h -44.834 #kJ/mol +# Enthalpy of formation: -1634.691 kJ/mol + -analytic -26.8458E-1 00E+0 23.41843E+2 00E+0 00E+0 PuO2(Ox):3H2O(s) -PuO2(Ox):3H2O = +1.000PuO2+2 +1.000Ox-2 +3.000H2O - log_k -10.00 #05HUM/AND - -analytic -10.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +PuO2(Ox):3H2O = PuO2+2 + Ox-2 + 3 H2O + log_k -10 #05HUM/AND + -analytic -10E+0 00E+0 00E+0 00E+0 00E+0 PuO2:2H2O(am) -PuO2:2H2O = +1.000Pu+4 -4.000H+ +4.000H2O - log_k -2.33 #03GUI/FAN - delta_h -58.774 #kJ/mol -# Enthalpy of formation: -1624.439 kJ/mol - -analytic -12.62676E+0 00.00000E+0 30.69980E+2 00.00000E+0 00.00000E+0 +PuO2:2H2O = Pu+4 - 4 H+ + 4 H2O + log_k -2.33 #03GUI/FAN + delta_h -58.774 #kJ/mol +# Enthalpy of formation: -1624.439 kJ/mol + -analytic -12.62676E+0 00E+0 30.6998E+2 00E+0 00E+0 PuO2OH(am) -PuO2OH = +1.000PuO2+ -1.000H+ +1.000H2O - log_k +5.00 #01LEM/FUG - delta_h -36.164 #kJ/mol -# Enthalpy of formation: -1159.793 kJ/mol - -analytic -13.35661E-1 00.00000E+0 18.88977E+2 00.00000E+0 00.00000E+0 +PuO2OH = PuO2+ - H+ + H2O + log_k 5 #01LEM/FUG + delta_h -36.164 #kJ/mol +# Enthalpy of formation: -1159.793 kJ/mol + -analytic -13.35661E-1 00E+0 18.88977E+2 00E+0 00E+0 Pyrite -FeS2 = +1.000Fe+2 -2.000H+ -2.000e- +2.000HS- - log_k -16.82 - delta_h +50.735 #kJ/mol +FeS2 = Fe+2 - 2 H+ - 2 e- + 2 HS- + log_k -16.82 + delta_h 50.735 #kJ/mol # Enthalpy of formation: -173.630 kJ/mol 20LEM/PAL - -analytic -79.31610E-1 00.00000E+0 -26.50074E+2 00.00000E+0 00.00000E+0 - -Vm 23.940 + -analytic -79.3161E-1 00E+0 -26.50074E+2 00E+0 00E+0 + -Vm 23.94 Pyrochroite -Mn(OH)2 = +1.000Mn+2 -2.000H+ +2.000H2O - log_k +15.30 #96FAL/REA - -analytic 15.30000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mn(OH)2 = Mn+2 - 2 H+ + 2 H2O + log_k 15.3 #96FAL/REA + -analytic 15.3E+0 00E+0 00E+0 00E+0 00E+0 Pyromorphite -Pb5Cl(PO4)3 = +5.000Pb+2 -6.000H+ +1.000Cl- +3.000H2(PO4)- - log_k -25.75 #74NRI - -analytic -25.75000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Pb5Cl(PO4)3 = 5 Pb+2 - 6 H+ + Cl- + 3 H2(PO4)- + log_k -25.75 #74NRI + -analytic -25.75E+0 00E+0 00E+0 00E+0 00E+0 Pyromorphite-Br -Pb5Br(PO4)3 = +5.000Pb+2 -6.000H+ +1.000Br- +3.000H2(PO4)- - log_k -19.45 #74NRI - -analytic -19.45000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Pb5Br(PO4)3 = 5 Pb+2 - 6 H+ + Br- + 3 H2(PO4)- + log_k -19.45 #74NRI + -analytic -19.45E+0 00E+0 00E+0 00E+0 00E+0 Pyromorphite-F -Pb5F(PO4)3 = +5.000Pb+2 -6.000H+ +1.000F- +3.000H2(PO4)- - log_k -13.10 #74NRI - -analytic -13.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Pb5F(PO4)3 = 5 Pb+2 - 6 H+ + F- + 3 H2(PO4)- + log_k -13.1 #74NRI + -analytic -13.1E+0 00E+0 00E+0 00E+0 00E+0 Pyromorphite-OH -Pb5(OH)(PO4)3 = +5.000Pb+2 -7.000H+ +3.000H2(PO4)- +1.000H2O - log_k -4.15 #74NRI - -analytic -41.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Pb5(OH)(PO4)3 = 5 Pb+2 - 7 H+ + 3 H2(PO4)- + H2O + log_k -4.15 #74NRI + -analytic -41.5E-1 00E+0 00E+0 00E+0 00E+0 Pyrophyllite -Al2Si4O10(OH)2 = +2.000Al+3 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k -0.44 - delta_h -138.256 #kJ/mol +Al2Si4O10(OH)2 = 2 Al+3 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k -0.44 + delta_h -138.256 #kJ/mol # Enthalpy of formation: -5640.000 kJ/mol 95ROB/HEM - -analytic -24.66141E+0 00.00000E+0 72.21614E+2 00.00000E+0 00.00000E+0 - -Vm 128.100 + -analytic -24.66141E+0 00E+0 72.21614E+2 00E+0 00E+0 + -Vm 128.1 Pyrrhotite -Fe0.87S = +0.870Fe+2 -1.000H+ -0.260e- +1.000HS- - log_k -5.32 - delta_h +0.673 #kJ/mol +Fe0.87S = 0.87 Fe+2 - H+ - 0.26 e- + HS- + log_k -5.32 + delta_h 0.673 #kJ/mol # Enthalpy of formation: -95.530 kJ/mol 20LEM/PAL - -analytic -52.02095E-1 00.00000E+0 -35.15324E+0 00.00000E+0 00.00000E+0 - -Vm 18.200 + -analytic -52.02095E-1 00E+0 -35.15324E+0 00E+0 00E+0 + -Vm 18.2 Quartz -SiO2 = +1.000H4(SiO4) -2.000H2O - log_k -3.74 - delta_h +21.166 #kJ/mol +SiO2 = H4(SiO4) - 2 H2O + log_k -3.74 + delta_h 21.166 #kJ/mol # Enthalpy of formation: -910.700 kJ/mol 82RIC/BOT - -analytic -31.87597E-3 00.00000E+0 -11.05577E+2 00.00000E+0 00.00000E+0 - -Vm 22.690 + -analytic -31.87597E-3 00E+0 -11.05577E+2 00E+0 00E+0 + -Vm 22.69 Ra(CO3)(s) -Ra(CO3) = +1.000Ra+2 +1.000CO3-2 - log_k -8.30 #85LAN/RIE; Uncertainty estimated by analogy with Sr(CO3)(s). - delta_h +13.640 #kJ/mol -# Enthalpy of formation: -1216.896 kJ/mol - -analytic -59.10375E-1 00.00000E+0 -71.24668E+1 00.00000E+0 00.00000E+0 +Ra(CO3) = Ra+2 + CO3-2 + log_k -8.3 #85LAN/RIE; Uncertainty estimated by analogy with Sr(CO3)(s). + delta_h 13.64 #kJ/mol +# Enthalpy of formation: -1216.896 kJ/mol + -analytic -59.10375E-1 00E+0 -71.24668E+1 00E+0 00E+0 Ra(cr) -Ra = +1.000Ra+2 +2.000e- - log_k +98.44 - delta_h -528.025 #kJ/mol +Ra = Ra+2 + 2 e- + log_k 98.44 + delta_h -528.025 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 82WAG/EVA - -analytic 59.33991E-1 00.00000E+0 27.58067E+3 00.00000E+0 00.00000E+0 + -analytic 59.33991E-1 00E+0 27.58067E+3 00E+0 00E+0 Ra(NO3)2(s) -Ra(NO3)2 = +1.000Ra+2 +2.000NO3- - log_k -2.21 - delta_h +49.981 #kJ/mol -# Enthalpy of formation: -991.706 kJ/mol - -analytic 65.46295E-1 00.00000E+0 -26.10689E+2 00.00000E+0 00.00000E+0 +Ra(NO3)2 = Ra+2 + 2 NO3- + log_k -2.21 + delta_h 49.981 #kJ/mol +# Enthalpy of formation: -991.706 kJ/mol + -analytic 65.46295E-1 00E+0 -26.10689E+2 00E+0 00E+0 Ra(OH)2(s) -Ra(OH)2 = -2.000H+ +1.000Ra+2 +2.000H2O - log_k +30.99 - delta_h -149.762 #kJ/mol -# Enthalpy of formation: -949.923 kJ/mol - -analytic 47.52824E-1 00.00000E+0 78.22614E+2 00.00000E+0 00.00000E+0 +Ra(OH)2 = -2 H+ + Ra+2 + 2 H2O + log_k 30.99 + delta_h -149.762 #kJ/mol +# Enthalpy of formation: -949.923 kJ/mol + -analytic 47.52824E-1 00E+0 78.22614E+2 00E+0 00E+0 Ra(SO4)(s) -Ra(SO4) = +1.000Ra+2 +1.000SO4-2 - log_k -10.26 #99SCH, 85LAN/RIE - delta_h +39.014 #kJ/mol -# Enthalpy of formation: -1476.379 kJ/mol - -analytic -34.25041E-1 00.00000E+0 -20.37843E+2 00.00000E+0 00.00000E+0 +Ra(SO4) = Ra+2 + SO4-2 + log_k -10.26 #99SCH, 85LAN/RIE + delta_h 39.014 #kJ/mol +# Enthalpy of formation: -1476.379 kJ/mol + -analytic -34.25041E-1 00E+0 -20.37843E+2 00E+0 00E+0 RaCl2:2H2O(s) -RaCl2:2H2O = +1.000Ra+2 +2.000Cl- +2.000H2O - log_k -0.73 - delta_h +32.221 #kJ/mol -# Enthalpy of formation: -1466.065 kJ/mol - -analytic 49.14877E-1 00.00000E+0 -16.83020E+2 00.00000E+0 00.00000E+0 +RaCl2:2H2O = Ra+2 + 2 Cl- + 2 H2O + log_k -0.73 + delta_h 32.221 #kJ/mol +# Enthalpy of formation: -1466.065 kJ/mol + -analytic 49.14877E-1 00E+0 -16.8302E+2 00E+0 00E+0 Rb(cr) -Rb = +1.000e- +1.000Rb+ - log_k +49.76 - delta_h -251.120 #kJ/mol +Rb = e- + Rb+ + log_k 49.76 + delta_h -251.12 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG - -analytic 57.65664E-1 00.00000E+0 13.11691E+3 00.00000E+0 00.00000E+0 + -analytic 57.65664E-1 00E+0 13.11691E+3 00E+0 00E+0 Rb2MoO4(s) -Rb2MoO4 = +1.000MoO4-2 +2.000Rb+ - log_k +3.10 - delta_h -5.315 #kJ/mol -# Enthalpy of formation: -1493.925 kJ/mol - -analytic 21.68852E-1 00.00000E+0 27.76218E+1 00.00000E+0 00.00000E+0 +Rb2MoO4 = MoO4-2 + 2 Rb+ + log_k 3.1 + delta_h -5.315 #kJ/mol +# Enthalpy of formation: -1493.925 kJ/mol + -analytic 21.68852E-1 00E+0 27.76218E+1 00E+0 00E+0 Realgar -AsS = +7.000H+ +3.000e- +1.000HS- +1.000AsO4-3 -4.000H2O - log_k -67.06 - delta_h +310.285 #kJ/mol -# Enthalpy of formation: -71.406 kJ/mol - -analytic -12.70040E+0 00.00000E+0 -16.20731E+3 00.00000E+0 00.00000E+0 +AsS = 7 H+ + 3 e- + HS- + AsO4-3 - 4 H2O + log_k -67.06 + delta_h 310.285 #kJ/mol +# Enthalpy of formation: -71.406 kJ/mol + -analytic -12.7004E+0 00E+0 -16.20731E+3 00E+0 00E+0 Rhodochrosite -Mn(CO3) = +1.000Mn+2 +1.000CO3-2 - log_k -11.13 #92PEA/BER - delta_h -5.899 #kJ/mol 92PEA/BER -# Enthalpy of formation: -890.131 kJ/mol - -analytic -12.16346E+0 00.00000E+0 30.81262E+1 00.00000E+0 00.00000E+0 +Mn(CO3) = Mn+2 + CO3-2 + log_k -11.13 #92PEA/BER + delta_h -5.899 #kJ/mol 92PEA/BER +# Enthalpy of formation: -890.131 kJ/mol + -analytic -12.16346E+0 00E+0 30.81262E+1 00E+0 00E+0 Rhodochrosite(syn) -Mn(CO3) = +1.000Mn+2 +1.000CO3-2 - log_k -10.49 - delta_h -6.842 #kJ/mol +Mn(CO3) = Mn+2 + CO3-2 + log_k -10.49 + delta_h -6.842 #kJ/mol # Enthalpy of formation: -889.188 kJ/mol 92JOH - -analytic -11.68867E+0 00.00000E+0 35.73825E+1 00.00000E+0 00.00000E+0 + -analytic -11.68867E+0 00E+0 35.73825E+1 00E+0 00E+0 Ripidolite_Cca-2 -(Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 = +0.011Ca+2 +2.964Mg+2 +0.215Fe+3 +1.712Fe+2 +2.483Al+3 -17.468H+ +2.633H4(SiO4) +7.468H2O - log_k +61.35 - delta_h -634.118 #kJ/mol +(Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 = 0.011 Ca+2 + 2.964 Mg+2 + 0.215 Fe+3 + 1.712 Fe+2 + 2.483 Al+3 - 17.468 H+ + 2.633 H4(SiO4) + 7.468 H2O + log_k 61.35 + delta_h -634.118 #kJ/mol # Enthalpy of formation: -8240.140 kJ/mol 13BLA/GAI2 - -analytic -49.74270E+0 00.00000E+0 33.12229E+3 00.00000E+0 00.00000E+0 - -Vm 211.830 + -analytic -49.7427E+0 00E+0 33.12229E+3 00E+0 00E+0 + -Vm 211.83 Romarchite -SnO = +1.000Sn+2 -2.000H+ +1.000H2O - log_k +1.59 - delta_h -11.207 #kJ/mol +SnO = Sn+2 - 2 H+ + H2O + log_k 1.59 + delta_h -11.207 #kJ/mol # Enthalpy of formation: -284.240 kJ/mol 12GAM/GAJ - -analytic -37.33821E-2 00.00000E+0 58.53824E+1 00.00000E+0 00.00000E+0 + -analytic -37.33821E-2 00E+0 58.53824E+1 00E+0 00E+0 Rutherfordine -(UO2)(CO3) = +1.000UO2+2 +1.000CO3-2 - log_k -14.76 #03GUI/FAN - delta_h -2.929 #kJ/mol -# Enthalpy of formation: -1691.302 kJ/mol - -analytic -15.27314E+0 00.00000E+0 15.29923E+1 00.00000E+0 00.00000E+0 +(UO2)(CO3) = UO2+2 + CO3-2 + log_k -14.76 #03GUI/FAN + delta_h -2.929 #kJ/mol +# Enthalpy of formation: -1691.302 kJ/mol + -analytic -15.27314E+0 00E+0 15.29923E+1 00E+0 00E+0 S(cr) -S = -1.000H+ -2.000e- +1.000HS- - log_k -2.14 - delta_h -16.300 #kJ/mol +S = - H+ - 2 e- + HS- + log_k -2.14 + delta_h -16.3 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic -49.95637E-1 00.00000E+0 85.14083E+1 00.00000E+0 00.00000E+0 + -analytic -49.95637E-1 00E+0 85.14083E+1 00E+0 00E+0 Sacchite -MnCl2 = +1.000Mn+2 +2.000Cl- - log_k +8.77 #96FAL/REA - -analytic 87.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +MnCl2 = Mn+2 + 2 Cl- + log_k 8.77 #96FAL/REA + -analytic 87.7E-1 00E+0 00E+0 00E+0 00E+0 Sanidine -KAlSi3O8 = +1.000K+ +1.000Al+3 -4.000H+ +3.000H4(SiO4) -4.000H2O - log_k +0.58 - delta_h -65.072 #kJ/mol +KAlSi3O8 = K+ + Al+3 - 4 H+ + 3 H4(SiO4) - 4 H2O + log_k 0.58 + delta_h -65.072 #kJ/mol # Enthalpy of formation: -3965.730 kJ/mol 99ARN/STE - -analytic -10.82013E+0 00.00000E+0 33.98947E+2 00.00000E+0 00.00000E+0 + -analytic -10.82013E+0 00E+0 33.98947E+2 00E+0 00E+0 Saponite_SapCa -(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2 = +0.038Ca+2 +2.949Mg+2 +0.021K+ +0.394Na+ +0.034Fe+3 +0.021Fe+2 +0.397Al+3 -7.724H+ +3.569H4(SiO4) -2.276H2O - log_k +31.45 - delta_h -285.541 #kJ/mol +(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2 = 0.038 Ca+2 + 2.949 Mg+2 + 0.021 K+ + 0.394 Na+ + 0.034 Fe+3 + 0.021 Fe+2 + 0.397 Al+3 - 7.724 H+ + 3.569 H4(SiO4) - 2.276 H2O + log_k 31.45 + delta_h -285.541 #kJ/mol # Enthalpy of formation: -5994.060 kJ/mol 13GAI/BLA - -analytic -18.57464E+0 00.00000E+0 14.91485E+3 00.00000E+0 00.00000E+0 - -Vm 141.660 + -analytic -18.57464E+0 00E+0 14.91485E+3 00E+0 00E+0 + -Vm 141.66 Saponite_SapCa(4.151H2O) -(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O = +0.038Ca+2 +2.949Mg+2 +0.021K+ +0.394Na+ +0.034Fe+3 +0.021Fe+2 +0.397Al+3 -7.724H+ +3.569H4(SiO4) +1.875H2O - log_k +28.27 - delta_h -255.631 #kJ/mol +(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O = 0.038 Ca+2 + 2.949 Mg+2 + 0.021 K+ + 0.394 Na+ + 0.034 Fe+3 + 0.021 Fe+2 + 0.397 Al+3 - 7.724 H+ + 3.569 H4(SiO4) + 1.875 H2O + log_k 28.27 + delta_h -255.631 #kJ/mol # Enthalpy of formation: -7210.450 kJ/mol 09GAI - -analytic -16.51463E+0 00.00000E+0 13.35254E+3 00.00000E+0 00.00000E+0 - -Vm 216.670 + -analytic -16.51463E+0 00E+0 13.35254E+3 00E+0 00E+0 + -Vm 216.67 Saponite-Ca -Ca0.17Mg3Al0.34Si3.66O10(OH)2 = +0.170Ca+2 +3.000Mg+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k +29.34 - delta_h -271.305 #kJ/mol +Ca0.17Mg3Al0.34Si3.66O10(OH)2 = 0.17 Ca+2 + 3 Mg+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 29.34 + delta_h -271.305 #kJ/mol # Enthalpy of formation: -5998.440 kJ/mol 15BLA/VIE - -analytic -18.19060E+0 00.00000E+0 14.17125E+3 00.00000E+0 00.00000E+0 - -Vm 142.570 + -analytic -18.1906E+0 00E+0 14.17125E+3 00E+0 00E+0 + -Vm 142.57 Saponite-FeCa -Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 = +0.170Ca+2 +2.000Mg+2 +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k +24.48 - delta_h -259.470 #kJ/mol +Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 = 0.17 Ca+2 + 2 Mg+2 + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 24.48 + delta_h -259.47 #kJ/mol # Enthalpy of formation: -5633.570 kJ/mol 15BLA/VIE - -analytic -20.97719E+0 00.00000E+0 13.55306E+3 00.00000E+0 00.00000E+0 - -Vm 145.150 + -analytic -20.97719E+0 00E+0 13.55306E+3 00E+0 00E+0 + -Vm 145.15 Saponite-FeK -K0.34Mg2FeAl0.34Si3.66O10(OH)2 = +2.000Mg+2 +0.340K+ +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k +25.40 - delta_h -240.927 #kJ/mol +K0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2 Mg+2 + 0.34 K+ + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 25.4 + delta_h -240.927 #kJ/mol # Enthalpy of formation: -5645.530 kJ/mol 15BLA/VIE - -analytic -16.80860E+0 00.00000E+0 12.58449E+3 00.00000E+0 00.00000E+0 - -Vm 144.270 + -analytic -16.8086E+0 00E+0 12.58449E+3 00E+0 00E+0 + -Vm 144.27 Saponite-FeMg -Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 = +2.170Mg+2 +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k +26.03 - delta_h -260.640 #kJ/mol +Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 = 2.17 Mg+2 + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 26.03 + delta_h -260.64 #kJ/mol # Enthalpy of formation: -5619.480 kJ/mol 15BLA/VIE - -analytic -19.63217E+0 00.00000E+0 13.61418E+3 00.00000E+0 00.00000E+0 - -Vm 141.160 + -analytic -19.63217E+0 00E+0 13.61418E+3 00E+0 00E+0 + -Vm 141.16 Saponite-FeNa -Na0.34Mg2FeAl0.34Si3.66O10(OH)2 = +2.000Mg+2 +0.340Na+ +1.000Fe+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k +25.73 - delta_h -248.555 #kJ/mol +Na0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2 Mg+2 + 0.34 Na+ + Fe+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 25.73 + delta_h -248.555 #kJ/mol # Enthalpy of formation: -5633.890 kJ/mol 15BLA/VIE - -analytic -17.81497E+0 00.00000E+0 12.98293E+3 00.00000E+0 00.00000E+0 - -Vm 143.540 + -analytic -17.81497E+0 00E+0 12.98293E+3 00E+0 00E+0 + -Vm 143.54 Saponite-K -K0.34Mg3Al0.34Si3.66O10(OH)2 = +3.000Mg+2 +0.340K+ +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k +28.17 - delta_h -252.772 #kJ/mol +K0.34Mg3Al0.34Si3.66O10(OH)2 = 3 Mg+2 + 0.34 K+ + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 28.17 + delta_h -252.772 #kJ/mol # Enthalpy of formation: -6010.390 kJ/mol 15BLA/VIE - -analytic -16.11375E+0 00.00000E+0 13.20320E+3 00.00000E+0 00.00000E+0 - -Vm 141.690 + -analytic -16.11375E+0 00E+0 13.2032E+3 00E+0 00E+0 + -Vm 141.69 Saponite-Mg -Mg0.17Mg3Al0.34Si3.66O10(OH)2 = +3.170Mg+2 +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k +28.79 - delta_h -272.485 #kJ/mol +Mg0.17Mg3Al0.34Si3.66O10(OH)2 = 3.17 Mg+2 + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 28.79 + delta_h -272.485 #kJ/mol # Enthalpy of formation: -5984.340 kJ/mol 15BLA/VIE - -analytic -18.94732E+0 00.00000E+0 14.23288E+3 00.00000E+0 00.00000E+0 - -Vm 138.580 + -analytic -18.94732E+0 00E+0 14.23288E+3 00E+0 00E+0 + -Vm 138.58 Saponite-Na -Na0.34Mg3Al0.34Si3.66O10(OH)2 = +3.000Mg+2 +0.340Na+ +0.340Al+3 -7.360H+ +3.660H4(SiO4) -2.640H2O - log_k +28.67 - delta_h -261.390 #kJ/mol +Na0.34Mg3Al0.34Si3.66O10(OH)2 = 3 Mg+2 + 0.34 Na+ + 0.34 Al+3 - 7.36 H+ + 3.66 H4(SiO4) - 2.64 H2O + log_k 28.67 + delta_h -261.39 #kJ/mol # Enthalpy of formation: -5997.760 kJ/mol 15BLA/VIE - -analytic -17.12356E+0 00.00000E+0 13.65335E+3 00.00000E+0 00.00000E+0 - -Vm 140.960 + -analytic -17.12356E+0 00E+0 13.65335E+3 00E+0 00E+0 + -Vm 140.96 Sb(cr) -Sb = +3.000H+ +3.000e- +1.000Sb(OH)3 -3.000H2O - log_k -11.67 - delta_h +83.597 #kJ/mol +Sb = 3 H+ + 3 e- + Sb(OH)3 - 3 H2O + log_k -11.67 + delta_h 83.597 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 98KON/VAN - -analytic 29.75566E-1 00.00000E+0 -43.66575E+2 00.00000E+0 00.00000E+0 + -analytic 29.75566E-1 00E+0 -43.66575E+2 00E+0 00E+0 Sb2O5(s) -Sb2O5 = +2.000Sb(OH)5 -5.000H2O - log_k -7.40 #48TOU/MOU in 76BAE/MES - -analytic -74.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Sb2O5 = 2 Sb(OH)5 - 5 H2O + log_k -7.4 #48TOU/MOU in 76BAE/MES + -analytic -74E-1 00E+0 00E+0 00E+0 00E+0 Schwertmannite(cr) -Fe8O8(OH)6SO4 = +8.000Fe+3 -22.000H+ +1.000SO4-2 +14.000H2O - log_k +8.72 - -analytic 87.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Fe8O8(OH)6SO4 = 8 Fe+3 - 22 H+ + SO4-2 + 14 H2O + log_k 8.72 + -analytic 87.2E-1 00E+0 00E+0 00E+0 00E+0 Scolecite -CaAl2Si3O10:3H2O = +1.000Ca+2 +2.000Al+3 -8.000H+ +3.000H4(SiO4) +1.000H2O - log_k +16.63 - delta_h -240.212 #kJ/mol +CaAl2Si3O10:3H2O = Ca+2 + 2 Al+3 - 8 H+ + 3 H4(SiO4) + H2O + log_k 16.63 + delta_h -240.212 #kJ/mol # Enthalpy of formation: -6049.000 kJ/mol 83JOH/FLO - -analytic -25.45334E+0 00.00000E+0 12.54715E+3 00.00000E+0 00.00000E+0 - -Vm 172.300 + -analytic -25.45334E+0 00E+0 12.54715E+3 00E+0 00E+0 + -Vm 172.3 Se(s) -Se = -1.000H+ -2.000e- +1.000HSe- - log_k -7.62 - delta_h +14.300 #kJ/mol +Se = - H+ - 2 e- + HSe- + log_k -7.62 + delta_h 14.3 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG - -analytic -51.14748E-1 00.00000E+0 -74.69410E+1 00.00000E+0 00.00000E+0 + -analytic -51.14748E-1 00E+0 -74.6941E+1 00E+0 00E+0 Se3U(cr) -Se3U = +1.000UO2+2 +1.000H+ +3.000HSe- -2.000H2O - log_k -18.27 - delta_h +47.560 #kJ/mol +Se3U = UO2+2 + H+ + 3 HSe- - 2 H2O + log_k -18.27 + delta_h 47.56 #kJ/mol # Enthalpy of formation: -452.000 kJ/mol 92GRE/FUG - -analytic -99.37846E-1 00.00000E+0 -24.84232E+2 00.00000E+0 00.00000E+0 + -analytic -99.37846E-1 00E+0 -24.84232E+2 00E+0 00E+0 SeO3(cr) -SeO3 = +2.000H+ +1.000SeO4-2 -1.000H2O - log_k +20.36 - delta_h -154.570 #kJ/mol +SeO3 = 2 H+ + SeO4-2 - H2O + log_k 20.36 + delta_h -154.57 #kJ/mol # Enthalpy of formation: -163.100 kJ/mol 05OLI/NOL - -analytic -67.19502E-1 00.00000E+0 80.73753E+2 00.00000E+0 00.00000E+0 + -analytic -67.19502E-1 00E+0 80.73753E+2 00E+0 00E+0 SeU(cr) -SeU = +1.000U+4 -1.000H+ +2.000e- +1.000HSe- - log_k +37.34 - delta_h -304.900 #kJ/mol +SeU = U+4 - H+ + 2 e- + HSe- + log_k 37.34 + delta_h -304.9 #kJ/mol # Enthalpy of formation: -272.000 kJ/mol 05OLI/NOL - -analytic -16.07619E+0 00.00000E+0 15.92604E+3 00.00000E+0 00.00000E+0 + -analytic -16.07619E+0 00E+0 15.92604E+3 00E+0 00E+0 Si(cr) -Si = +4.000H+ +4.000e- +1.000H4(SiO4) -4.000H2O - log_k +63.19 - delta_h -317.874 #kJ/mol +Si = 4 H+ + 4 e- + H4(SiO4) - 4 H2O + log_k 63.19 + delta_h -317.874 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic 75.00866E-1 00.00000E+0 16.60372E+3 00.00000E+0 00.00000E+0 + -analytic 75.00866E-1 00E+0 16.60372E+3 00E+0 00E+0 Siderite -Fe(CO3) = +1.000Fe+2 +1.000CO3-2 - log_k -10.68 - delta_h -12.916 #kJ/mol +Fe(CO3) = Fe+2 + CO3-2 + log_k -10.68 + delta_h -12.916 #kJ/mol # Enthalpy of formation: -752.609 kJ/mol 13LEM/BER - -analytic -12.94279E+0 00.00000E+0 67.46497E+1 00.00000E+0 00.00000E+0 - -Vm 29.380 + -analytic -12.94279E+0 00E+0 67.46497E+1 00E+0 00E+0 + -Vm 29.38 Siderophyllite -KFe2Al3Si2O10(OH)2 = +1.000K+ +2.000Fe+2 +3.000Al+3 -14.000H+ +2.000H4(SiO4) +4.000H2O - log_k +40.60 - delta_h -485.368 #kJ/mol +KFe2Al3Si2O10(OH)2 = K+ + 2 Fe+2 + 3 Al+3 - 14 H+ + 2 H4(SiO4) + 4 H2O + log_k 40.6 + delta_h -485.368 #kJ/mol # Enthalpy of formation: -5628.270 kJ/mol 90HOL/POW - -analytic -44.43282E+0 00.00000E+0 25.35254E+3 00.00000E+0 00.00000E+0 - -Vm 150.630 + -analytic -44.43282E+0 00E+0 25.35254E+3 00E+0 00E+0 + -Vm 150.63 SiO2(am) -SiO2 = +1.000H4(SiO4) -2.000H2O - log_k -2.71 #00GUN/ARN - delta_h +13.522 #kJ/mol -# Enthalpy of formation: -903.057 kJ/mol - -analytic -34.10473E-2 00.00000E+0 -70.63033E+1 00.00000E+0 00.00000E+0 - -Vm 29.000 +SiO2 = H4(SiO4) - 2 H2O + log_k -2.71 #00GUN/ARN + delta_h 13.522 #kJ/mol +# Enthalpy of formation: -903.057 kJ/mol + -analytic -34.10473E-2 00E+0 -70.63033E+1 00E+0 00E+0 + -Vm 29 Sm(cr) -Sm = +1.000Sm+3 +3.000e- - log_k +116.62 - delta_h -691.198 #kJ/mol +Sm = Sm+3 + 3 e- + log_k 116.62 + delta_h -691.198 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 79ROB/HEM - -analytic -44.72692E-1 00.00000E+0 36.10379E+3 00.00000E+0 00.00000E+0 + -analytic -44.72692E-1 00E+0 36.10379E+3 00E+0 00E+0 Sm(OH)3(am) -Sm(OH)3 = +1.000Sm+3 -3.000H+ +3.000H2O - log_k +17.85 #98DIA/RAG - -analytic 17.85000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Sm(OH)3 = Sm+3 - 3 H+ + 3 H2O + log_k 17.85 #98DIA/RAG + -analytic 17.85E+0 00E+0 00E+0 00E+0 00E+0 Sm(OH)3(s) -Sm(OH)3 = +1.000Sm+3 -3.000H+ +3.000H2O - log_k +16.13 #98DIA/RAG - -analytic 16.13000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Sm(OH)3 = Sm+3 - 3 H+ + 3 H2O + log_k 16.13 #98DIA/RAG + -analytic 16.13E+0 00E+0 00E+0 00E+0 00E+0 Sm2(CO3)3(s) -Sm2(CO3)3 = +2.000Sm+3 +3.000CO3-2 - log_k -34.50 #95SPA/BRU - -analytic -34.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Sm2(CO3)3 = 2 Sm+3 + 3 CO3-2 + log_k -34.5 #95SPA/BRU + -analytic -34.5E+0 00E+0 00E+0 00E+0 00E+0 Sm2(SO4)3(s) -Sm2(SO4)3 = +2.000Sm+3 +3.000SO4-2 - log_k -9.80 #95SPA/BRU - delta_h -211.316 #kJ/mol +Sm2(SO4)3 = 2 Sm+3 + 3 SO4-2 + log_k -9.8 #95SPA/BRU + delta_h -211.316 #kJ/mol # Enthalpy of formation: -3899.100 kJ/mol 82WAG/EVA - -analytic -46.82097E+0 00.00000E+0 11.03780E+3 00.00000E+0 00.00000E+0 + -analytic -46.82097E+0 00E+0 11.0378E+3 00E+0 00E+0 Sm2O3(s) -Sm2O3 = +2.000Sm+3 -6.000H+ +3.000H2O - log_k +43.11 - delta_h -355.036 #kJ/mol -# Enthalpy of formation: -1884.849 kJ/mol - -analytic -19.08964E+0 00.00000E+0 18.54482E+3 00.00000E+0 00.00000E+0 +Sm2O3 = 2 Sm+3 - 6 H+ + 3 H2O + log_k 43.11 + delta_h -355.036 #kJ/mol +# Enthalpy of formation: -1884.849 kJ/mol + -analytic -19.08964E+0 00E+0 18.54482E+3 00E+0 00E+0 SmCl3:6H2O(s) -SmCl3:6H2O = +1.000Sm+3 +3.000Cl- +6.000H2O - log_k +4.80 #96FAL/REA - delta_h -38.319 #kJ/mol -# Enthalpy of formation: -2869.096 kJ/mol - -analytic -19.13201E-1 00.00000E+0 20.01541E+2 00.00000E+0 00.00000E+0 +SmCl3:6H2O = Sm+3 + 3 Cl- + 6 H2O + log_k 4.8 #96FAL/REA + delta_h -38.319 #kJ/mol +# Enthalpy of formation: -2869.096 kJ/mol + -analytic -19.13201E-1 00E+0 20.01541E+2 00E+0 00E+0 SmCO3OH(cr) -SmOHCO3 = +1.000Sm+3 -1.000H+ +1.000CO3-2 +1.000H2O - log_k -10.23 - delta_h -38.858 #kJ/mol +SmOHCO3 = Sm+3 - H+ + CO3-2 + H2O + log_k -10.23 + delta_h -38.858 #kJ/mol # Enthalpy of formation: -1613.400 kJ/mol 05ROR/FUG - -analytic -17.03763E+0 00.00000E+0 20.29695E+2 00.00000E+0 00.00000E+0 + -analytic -17.03763E+0 00E+0 20.29695E+2 00E+0 00E+0 SmCO3OH:0.5H2O(s) -SmOHCO3:0.5H2O = +1.000Sm+3 -1.000H+ +1.000CO3-2 +1.500H2O - log_k -7.31 - delta_h -51.073 #kJ/mol +SmOHCO3:0.5H2O = Sm+3 - H+ + CO3-2 + 1.5 H2O + log_k -7.31 + delta_h -51.073 #kJ/mol # Enthalpy of formation: -1744.100 kJ/mol 05ROR/FUG - -analytic -16.25761E+0 00.00000E+0 26.67729E+2 00.00000E+0 00.00000E+0 + -analytic -16.25761E+0 00E+0 26.67729E+2 00E+0 00E+0 Smectite MX80 -Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.173Fe0.035)O10(OH)2 = +0.009Ca+2 +0.214Mg+2 +0.024K+ +0.409Na+ +0.173Fe+3 +0.035Fe+2 +1.860Al+3 -7.048H+ +3.738H4(SiO4) -2.952H2O - log_k +5.26 - delta_h -184.222 #kJ/mol +Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.173Fe0.035)O10(OH)2 = 0.009 Ca+2 + 0.214 Mg+2 + 0.024 K+ + 0.409 Na+ + 0.173 Fe+3 + 0.035 Fe+2 + 1.86 Al+3 - 7.048 H+ + 3.738 H4(SiO4) - 2.952 H2O + log_k 5.26 + delta_h -184.222 #kJ/mol # Enthalpy of formation: -5656.370 kJ/mol 12GAI/BLA - -analytic -27.01431E+0 00.00000E+0 96.22585E+2 00.00000E+0 00.00000E+0 - -Vm 134.920 + -analytic -27.01431E+0 00E+0 96.22585E+2 00E+0 00E+0 + -Vm 134.92 Smectite_MX80(3.989H2O) -(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:3.989H2O = +0.009Ca+2 +0.214Mg+2 +0.024K+ +0.409Na+ +0.173Fe+3 +0.035Fe+2 +1.860Al+3 -7.048H+ +3.738H4(SiO4) +1.037H2O - log_k +1.75 - delta_h -157.438 #kJ/mol +(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:3.989H2O = 0.009 Ca+2 + 0.214 Mg+2 + 0.024 K+ + 0.409 Na+ + 0.173 Fe+3 + 0.035 Fe+2 + 1.86 Al+3 - 7.048 H+ + 3.738 H4(SiO4) + 1.037 H2O + log_k 1.75 + delta_h -157.438 #kJ/mol # Enthalpy of formation: -6823.330 kJ/mol 12GAI/BLA - -analytic -25.83195E+0 00.00000E+0 82.23559E+2 00.00000E+0 00.00000E+0 - -Vm 207.000 + -analytic -25.83195E+0 00E+0 82.23559E+2 00E+0 00E+0 + -Vm 207 Smectite_MX80(5.189H2O) -(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:5.189H2O = +0.009Ca+2 +0.214Mg+2 +0.024K+ +0.409Na+ +0.173Fe+3 +0.035Fe+2 +1.860Al+3 -7.048H+ +3.738H4(SiO4) +2.237H2O - log_k +1.41 - delta_h -149.344 #kJ/mol +(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:5.189H2O = 0.009 Ca+2 + 0.214 Mg+2 + 0.024 K+ + 0.409 Na+ + 0.173 Fe+3 + 0.035 Fe+2 + 1.86 Al+3 - 7.048 H+ + 3.738 H4(SiO4) + 2.237 H2O + log_k 1.41 + delta_h -149.344 #kJ/mol # Enthalpy of formation: -7174.420 kJ/mol 12GAI/BLA - -analytic -24.75395E+0 00.00000E+0 78.00780E+2 00.00000E+0 00.00000E+0 - -Vm 228.690 + -analytic -24.75395E+0 00E+0 78.0078E+2 00E+0 00E+0 + -Vm 228.69 SmF3:0.5H2O(s) -SmF3:0.5H2O = +1.000Sm+3 +3.000F- +0.500H2O - log_k -17.50 #95SPA/BRU - -analytic -17.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +SmF3:0.5H2O = Sm+3 + 3 F- + 0.5 H2O + log_k -17.5 #95SPA/BRU + -analytic -17.5E+0 00E+0 00E+0 00E+0 00E+0 SmPO4:H2O(am) -SmPO4:H2O = +1.000Sm+3 -2.000H+ +1.000H2(PO4)- +1.000H2O - log_k -5.00 #05CET/WOO - delta_h -26.479 #kJ/mol +SmPO4:H2O = Sm+3 - 2 H+ + H2(PO4)- + H2O + log_k -5 #05CET/WOO + delta_h -26.479 #kJ/mol # Enthalpy of formation: -2253.149 kJ/mol 05CET/WOO - -analytic -96.38922E-1 00.00000E+0 13.83094E+2 00.00000E+0 00.00000E+0 + -analytic -96.38922E-1 00E+0 13.83094E+2 00E+0 00E+0 SmPO4:H2O(cr) -SmPO4:H2O = +1.000Sm+3 -2.000H+ +1.000H2(PO4)- +1.000H2O - log_k -6.67 #97LIU/BYR - -analytic -66.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +SmPO4:H2O = Sm+3 - 2 H+ + H2(PO4)- + H2O + log_k -6.67 #97LIU/BYR + -analytic -66.7E-1 00E+0 00E+0 00E+0 00E+0 Sn(cr,alfa) -Sn = +1.000Sn+2 +2.000e- - log_k +4.82 - delta_h -7.637 #kJ/mol +Sn = Sn+2 + 2 e- + log_k 4.82 + delta_h -7.637 #kJ/mol # Enthalpy of formation: -1.980 kJ/mol 12GAM/GAJ - -analytic 34.82055E-1 00.00000E+0 39.89083E+1 00.00000E+0 00.00000E+0 + -analytic 34.82055E-1 00E+0 39.89083E+1 00E+0 00E+0 Sn(cr,beta) -Sn = +1.000Sn+2 +2.000e- - log_k +4.80 - delta_h -9.617 #kJ/mol +Sn = Sn+2 + 2 e- + log_k 4.8 + delta_h -9.617 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic 31.15174E-1 00.00000E+0 50.23309E+1 00.00000E+0 00.00000E+0 + -analytic 31.15174E-1 00E+0 50.23309E+1 00E+0 00E+0 Sn(OH)4(s) -Sn(OH)4 = +1.000Sn+4 -4.000H+ +4.000H2O - log_k -1.28 #70BAR/KLI in 01SEB/POT; Uncertainty to cover available data. - -analytic -12.80000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Sn(OH)4 = Sn+4 - 4 H+ + 4 H2O + log_k -1.28 #70BAR/KLI in 01SEB/POT; Uncertainty to cover available data. + -analytic -12.8E-1 00E+0 00E+0 00E+0 00E+0 Sn(OH)Cl(s) -Sn(OH)Cl = +1.000Sn+2 -1.000H+ +1.000Cl- +1.000H2O - log_k -2.42 #30RAN/MUR recalculated in 99LOT/OCH - -analytic -24.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Sn(OH)Cl = Sn+2 - H+ + Cl- + H2O + log_k -2.42 #30RAN/MUR recalculated in 99LOT/OCH + -analytic -24.2E-1 00E+0 00E+0 00E+0 00E+0 SnO2(am) -SnO2 = +1.000Sn+4 -4.000H+ +2.000H2O - log_k -14.77 - -analytic -14.77000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +SnO2 = Sn+4 - 4 H+ + 2 H2O + log_k -14.77 + -analytic -14.77E+0 00E+0 00E+0 00E+0 00E+0 SnSe(alfa) -SnSe = +1.000Sn+2 -1.000H+ +1.000HSe- - log_k -21.67 - delta_h +114.183 #kJ/mol +SnSe = Sn+2 - H+ + HSe- + log_k -21.67 + delta_h 114.183 #kJ/mol # Enthalpy of formation: -109.500 kJ/mol 05OLI/NOL - -analytic -16.65997E-1 00.00000E+0 -59.64193E+2 00.00000E+0 00.00000E+0 + -analytic -16.65997E-1 00E+0 -59.64193E+2 00E+0 00E+0 SnSe2(s) -SnSe2 = +1.000Sn+2 -2.000H+ -2.000e- +2.000HSe- - log_k -30.79 - delta_h +133.883 #kJ/mol +SnSe2 = Sn+2 - 2 H+ - 2 e- + 2 HSe- + log_k -30.79 + delta_h 133.883 #kJ/mol # Enthalpy of formation: -114.900 kJ/mol 05OLI/NOL - -analytic -73.34705E-1 00.00000E+0 -69.93196E+2 00.00000E+0 00.00000E+0 + -analytic -73.34705E-1 00E+0 -69.93196E+2 00E+0 00E+0 Soddyite -(UO2)2SiO4:2H2O = +2.000UO2+2 -4.000H+ +1.000H4(SiO4) +2.000H2O - log_k +5.75 #20GRE/GAO - -analytic 57.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +(UO2)2SiO4:2H2O = 2 UO2+2 - 4 H+ + H4(SiO4) + 2 H2O + log_k 5.75 #20GRE/GAO + -analytic 57.5E-1 00E+0 00E+0 00E+0 00E+0 Sodium-compreignacite -Na2(UO2)6O4(OH)6:7H2O = +2.000Na+ +6.000UO2+2 -14.000H+ +17.000H2O - log_k +39.40 #08GOR/FEI - delta_h -517.390 #kJ/mol +Na2(UO2)6O4(OH)6:7H2O = 2 Na+ + 6 UO2+2 - 14 H+ + 17 H2O + log_k 39.4 #08GOR/FEI + delta_h -517.39 #kJ/mol # Enthalpy of formation: -10936.400kJ/mol 06KUB/HEL - -analytic -51.24284E+0 00.00000E+0 27.02516E+3 00.00000E+0 00.00000E+0 + -analytic -51.24284E+0 00E+0 27.02516E+3 00E+0 00E+0 Sphaerocobaltite -CoCO3 = +1.000Co+2 +1.000CO3-2 - log_k -11.20 #99GRA2 - delta_h -9.421 #kJ/mol -# Enthalpy of formation: -723.409 kJ/mol - -analytic -12.85049E+0 00.00000E+0 49.20931E+1 00.00000E+0 00.00000E+0 +CoCO3 = Co+2 + CO3-2 + log_k -11.2 #99GRA2 + delta_h -9.421 #kJ/mol +# Enthalpy of formation: -723.409 kJ/mol + -analytic -12.85049E+0 00E+0 49.20931E+1 00E+0 00E+0 Sr(cr) -Sr = +1.000Sr+2 +2.000e- - log_k +98.79 - delta_h -550.900 #kJ/mol +Sr = Sr+2 + 2 e- + log_k 98.79 + delta_h -550.9 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 98CHA - -analytic 22.76463E-1 00.00000E+0 28.77551E+3 00.00000E+0 00.00000E+0 + -analytic 22.76463E-1 00E+0 28.77551E+3 00E+0 00E+0 Sr(HPO4)(s) -Sr(HPO4) = +1.000Sr+2 -1.000H+ +1.000H2(PO4)- - log_k +0.28 #97MAR/SMI - delta_h -19.487 #kJ/mol -# Enthalpy of formation: -1834.013 kJ/mol - -analytic -31.33976E-1 00.00000E+0 10.17877E+2 00.00000E+0 00.00000E+0 +Sr(HPO4) = Sr+2 - H+ + H2(PO4)- + log_k 0.28 #97MAR/SMI + delta_h -19.487 #kJ/mol +# Enthalpy of formation: -1834.013 kJ/mol + -analytic -31.33976E-1 00E+0 10.17877E+2 00E+0 00E+0 Sr(NO3)2(cr) -Sr(NO3)2 = +1.000Sr+2 +2.000NO3- - log_k +0.40 - delta_h +17.760 #kJ/mol +Sr(NO3)2 = Sr+2 + 2 NO3- + log_k 0.4 + delta_h 17.76 #kJ/mol # Enthalpy of formation: -982.360 kJ/mol 92GRE/FUG - -analytic 35.11418E-1 00.00000E+0 -92.76694E+1 00.00000E+0 00.00000E+0 + -analytic 35.11418E-1 00E+0 -92.76694E+1 00E+0 00E+0 Sr(NO3)2:2H2O(s) -Sr(NO3)2:2H2O = +1.000Sr+2 +2.000NO3- +2.000H2O - log_k +0.05 #25/08/1994 - -analytic 50.00000E-3 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Sr(NO3)2:2H2O = Sr+2 + 2 NO3- + 2 H2O + log_k 0.05 #25/08/1994 + -analytic 50E-3 00E+0 00E+0 00E+0 00E+0 Sr(NO3)2:4H2O(s) -Sr(NO3)2:4H2O = +1.000Sr+2 +2.000NO3- +4.000H2O - log_k -0.87 #96FAL/REA - -analytic -87.00000E-2 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Sr(NO3)2:4H2O = Sr+2 + 2 NO3- + 4 H2O + log_k -0.87 #96FAL/REA + -analytic -87E-2 00E+0 00E+0 00E+0 00E+0 Sr(OH)2(s) -Sr(OH)2 = +1.000Sr+2 -2.000H+ +2.000H2O - log_k +27.51 - delta_h -153.670 #kJ/mol +Sr(OH)2 = Sr+2 - 2 H+ + 2 H2O + log_k 27.51 + delta_h -153.67 #kJ/mol # Enthalpy of formation: -968.890 kJ/mol 98CHA - -analytic 58.81716E-2 00.00000E+0 80.26743E+2 00.00000E+0 00.00000E+0 + -analytic 58.81716E-2 00E+0 80.26743E+2 00E+0 00E+0 Sr(OH)2:8H2O(s) -Sr(OH)2:8H2O = +1.000Sr+2 -2.000H+ +10.000H2O - log_k +24.32 #98FEL/DIX - delta_h -57.000 #kJ/mol +Sr(OH)2:8H2O = Sr+2 - 2 H+ + 10 H2O + log_k 24.32 #98FEL/DIX + delta_h -57 #kJ/mol # Enthalpy of formation: -3352.200 kJ/mol 82WAG/EVA - -analytic 14.33403E+0 00.00000E+0 29.77317E+2 00.00000E+0 00.00000E+0 + -analytic 14.33403E+0 00E+0 29.77317E+2 00E+0 00E+0 Sr(SeO3)(cr) -Sr(SeO3) = +1.000Sr+2 +1.000SeO3-2 - log_k -6.30 #05OLI/NOL - delta_h -6.160 #kJ/mol +Sr(SeO3) = Sr+2 + SeO3-2 + log_k -6.3 #05OLI/NOL + delta_h -6.16 #kJ/mol # Enthalpy of formation: -1051.900 kJ/mol 05OLI/NOL - -analytic -73.79186E-1 00.00000E+0 32.17592E+1 00.00000E+0 00.00000E+0 + -analytic -73.79186E-1 00E+0 32.17592E+1 00E+0 00E+0 Sr(SeO4)(s) -Sr(SeO4) = +1.000Sr+2 +1.000SeO4-2 - log_k -4.35 #Original source 59SEL/ZUB recalculated in 05OLI/NOL - delta_h -21.841 #kJ/mol -# Enthalpy of formation: -1132.559 kJ/mol - -analytic -81.76379E-1 00.00000E+0 11.40835E+2 00.00000E+0 00.00000E+0 +Sr(SeO4) = Sr+2 + SeO4-2 + log_k -4.35 #Original source 59SEL/ZUB recalculated in 05OLI/NOL + delta_h -21.841 #kJ/mol +# Enthalpy of formation: -1132.559 kJ/mol + -analytic -81.76379E-1 00E+0 11.40835E+2 00E+0 00E+0 Sr2SiO4(s) -Sr2SiO4 = +2.000Sr+2 -4.000H+ +1.000H4(SiO4) - log_k +43.25 - -analytic 43.25000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Sr2SiO4 = 2 Sr+2 - 4 H+ + H4(SiO4) + log_k 43.25 + -analytic 43.25E+0 00E+0 00E+0 00E+0 00E+0 Sr3(AsO4)2(s) -Sr3(AsO4)2 = +3.000Sr+2 +2.000AsO4-3 - log_k -16.08 - delta_h -109.504 #kJ/mol -# Enthalpy of formation: -3319.478 kJ/mol - -analytic -35.26428E+0 00.00000E+0 57.19792E+2 00.00000E+0 00.00000E+0 +Sr3(AsO4)2 = 3 Sr+2 + 2 AsO4-3 + log_k -16.08 + delta_h -109.504 #kJ/mol +# Enthalpy of formation: -3319.478 kJ/mol + -analytic -35.26428E+0 00E+0 57.19792E+2 00E+0 00E+0 Sr3(PO4)2(s) -Sr3(PO4)2 = +3.000Sr+2 -4.000H+ +2.000H2(PO4)- - log_k +10.53 #06BLA/IGN - delta_h -147.900 #kJ/mol +Sr3(PO4)2 = 3 Sr+2 - 4 H+ + 2 H2(PO4)- + log_k 10.53 #06BLA/IGN + delta_h -147.9 #kJ/mol # Enthalpy of formation: -4110.000 kJ/mol 97KHA/JEM - -analytic -15.38097E+0 00.00000E+0 77.25355E+2 00.00000E+0 00.00000E+0 + -analytic -15.38097E+0 00E+0 77.25355E+2 00E+0 00E+0 Sr5(PO4)3(OH)(s) -Sr5(PO4)3(OH) = +5.000Sr+2 -7.000H+ +3.000H2(PO4)- +1.000H2O - log_k +7.17 #05KIM/PAR - delta_h -261.630 #kJ/mol +Sr5(PO4)3(OH) = 5 Sr+2 - 7 H+ + 3 H2(PO4)- + H2O + log_k 7.17 #05KIM/PAR + delta_h -261.63 #kJ/mol # Enthalpy of formation: -6686.500 kJ/mol 95JEM/CHE - -analytic -38.66561E+0 00.00000E+0 13.66589E+3 00.00000E+0 00.00000E+0 + -analytic -38.66561E+0 00E+0 13.66589E+3 00E+0 00E+0 SrBr2(s) -SrBr2 = +1.000Sr+2 +2.000Br- - log_k +12.50 #96FAL/REA - -analytic 12.50000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +SrBr2 = Sr+2 + 2 Br- + log_k 12.5 #96FAL/REA + -analytic 12.5E+0 00E+0 00E+0 00E+0 00E+0 SrBr2:6H2O(s) -SrBr2:6H2O = +1.000Sr+2 +2.000Br- +6.000H2O - log_k +2.82 #96FAL/REA - -analytic 28.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +SrBr2:6H2O = Sr+2 + 2 Br- + 6 H2O + log_k 2.82 #96FAL/REA + -analytic 28.2E-1 00E+0 00E+0 00E+0 00E+0 SrBr2:H2O(s) -SrBr2:H2O = +1.000Sr+2 +2.000Br- +1.000H2O - log_k +8.80 #96FAL/REA - -analytic 88.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +SrBr2:H2O = Sr+2 + 2 Br- + H2O + log_k 8.8 #96FAL/REA + -analytic 88E-1 00E+0 00E+0 00E+0 00E+0 SrCl2(s) -SrCl2 = +1.000Sr+2 +2.000Cl- - log_k +8.12 - delta_h -56.210 #kJ/mol +SrCl2 = Sr+2 + 2 Cl- + log_k 8.12 + delta_h -56.21 #kJ/mol # Enthalpy of formation: -828.850 kJ/mol 98CHA - -analytic -17.27569E-1 00.00000E+0 29.36053E+2 00.00000E+0 00.00000E+0 + -analytic -17.27569E-1 00E+0 29.36053E+2 00E+0 00E+0 SrCl2:2H2O(s) -SrCl2:2H2O = +1.000Sr+2 +2.000Cl- +2.000H2O - log_k +3.47 - delta_h -18.720 #kJ/mol +SrCl2:2H2O = Sr+2 + 2 Cl- + 2 H2O + log_k 3.47 + delta_h -18.72 #kJ/mol # Enthalpy of formation: -1438.000 kJ/mol 82WAG/EVA - -analytic 19.03968E-2 00.00000E+0 97.78137E+1 00.00000E+0 00.00000E+0 + -analytic 19.03968E-2 00E+0 97.78137E+1 00E+0 00E+0 SrCl2:6H2O(s) -SrCl2:6H2O = +1.000Sr+2 +2.000Cl- +6.000H2O - log_k +1.61 - delta_h +23.760 #kJ/mol +SrCl2:6H2O = Sr+2 + 2 Cl- + 6 H2O + log_k 1.61 + delta_h 23.76 #kJ/mol # Enthalpy of formation: -2623.800 kJ/mol 82WAG/EVA - -analytic 57.72573E-1 00.00000E+0 -12.41071E+2 00.00000E+0 00.00000E+0 + -analytic 57.72573E-1 00E+0 -12.41071E+2 00E+0 00E+0 SrCl2:H2O(s) -SrCl2:H2O = +1.000Sr+2 +2.000Cl- +1.000H2O - log_k +4.91 - delta_h -34.090 #kJ/mol +SrCl2:H2O = Sr+2 + 2 Cl- + H2O + log_k 4.91 + delta_h -34.09 #kJ/mol # Enthalpy of formation: -1136.800 kJ/mol 82WAG/EVA - -analytic -10.62312E-1 00.00000E+0 17.80645E+2 00.00000E+0 00.00000E+0 + -analytic -10.62312E-1 00E+0 17.80645E+2 00E+0 00E+0 SrCrO4(s) -SrCrO4 = +1.000Sr+2 +1.000CrO4-2 - log_k -4.65 #97MAR/SMI - delta_h -10.125 #kJ/mol 97MAR/SMI -# Enthalpy of formation: -1419.775 kJ/mol - -analytic -64.23824E-1 00.00000E+0 52.88656E+1 00.00000E+0 00.00000E+0 +SrCrO4 = Sr+2 + CrO4-2 + log_k -4.65 #97MAR/SMI + delta_h -10.125 #kJ/mol 97MAR/SMI +# Enthalpy of formation: -1419.775 kJ/mol + -analytic -64.23824E-1 00E+0 52.88656E+1 00E+0 00E+0 SrF2(cr) -SrF2 = +1.000Sr+2 +2.000F- - log_k -8.54 #96FAL/REA - -analytic -85.40000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +SrF2 = Sr+2 + 2 F- + log_k -8.54 #96FAL/REA + -analytic -85.4E-1 00E+0 00E+0 00E+0 00E+0 SrMoO4(s) -SrMoO4 = +1.000Sr+2 +1.000MoO4-2 - log_k -6.59 #54RAO in 74OHA/KEN - -analytic -65.90000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +SrMoO4 = Sr+2 + MoO4-2 + log_k -6.59 #54RAO in 74OHA/KEN + -analytic -65.9E-1 00E+0 00E+0 00E+0 00E+0 SrO(cr) -SrO = +1.000Sr+2 -2.000H+ +1.000H2O - log_k +41.98 - delta_h -244.690 #kJ/mol +SrO = Sr+2 - 2 H+ + H2O + log_k 41.98 + delta_h -244.69 #kJ/mol # Enthalpy of formation: -592.040 kJ/mol 98CHA - -analytic -88.78479E-2 00.00000E+0 12.78105E+3 00.00000E+0 00.00000E+0 + -analytic -88.78479E-2 00E+0 12.78105E+3 00E+0 00E+0 SrS(s) -SrS = +1.000Sr+2 -1.000H+ +1.000HS- - log_k +14.68 - delta_h -93.570 #kJ/mol +SrS = Sr+2 - H+ + HS- + log_k 14.68 + delta_h -93.57 #kJ/mol # Enthalpy of formation: -473.630 kJ/mol 82WAG/EVA - -analytic -17.12760E-1 00.00000E+0 48.87501E+2 00.00000E+0 00.00000E+0 + -analytic -17.1276E-1 00E+0 48.87501E+2 00E+0 00E+0 SrSiO3(s) -SrSiO3 = +1.000Sr+2 -2.000H+ +1.000H4(SiO4) -1.000H2O - log_k +13.16 - delta_h -80.278 #kJ/mol +SrSiO3 = Sr+2 - 2 H+ + H4(SiO4) - H2O + log_k 13.16 + delta_h -80.278 #kJ/mol # Enthalpy of formation: -1645.986 kJ/mol 74NAU/RYZ - -analytic -90.41019E-2 00.00000E+0 41.93212E+2 00.00000E+0 00.00000E+0 + -analytic -90.41019E-2 00E+0 41.93212E+2 00E+0 00E+0 SrZrSi2O7(cr) -SrZrSi2O7 = +1.000Sr+2 -6.000H+ +2.000H4(SiO4) +1.000Zr+4 -1.000H2O - log_k +5.20 - delta_h -155.158 #kJ/mol +SrZrSi2O7 = Sr+2 - 6 H+ + 2 H4(SiO4) + Zr+4 - H2O + log_k 5.2 + delta_h -155.158 #kJ/mol # Enthalpy of formation: -3640.800 kJ/mol 05BRO/CUR - -analytic -21.98251E+0 00.00000E+0 81.04467E+2 00.00000E+0 00.00000E+0 + -analytic -21.98251E+0 00E+0 81.04467E+2 00E+0 00E+0 Stellerite -Ca2Al4Si14O36:14H2O = +2.000Ca+2 +4.000Al+3 -16.000H+ +14.000H4(SiO4) -6.000H2O - log_k +6.92 - delta_h -325.096 #kJ/mol +Ca2Al4Si14O36:14H2O = 2 Ca+2 + 4 Al+3 - 16 H+ + 14 H4(SiO4) - 6 H2O + log_k 6.92 + delta_h -325.096 #kJ/mol # Enthalpy of formation: -21656.240kJ/mol 01FRI/NEU - -analytic -50.03437E+0 00.00000E+0 16.98095E+3 00.00000E+0 00.00000E+0 - -Vm 666.500 + -analytic -50.03437E+0 00E+0 16.98095E+3 00E+0 00E+0 + -Vm 666.5 Stibnite -Sb2S3 = +3.000H+ +3.000HS- +2.000Sb(OH)3 -6.000H2O - log_k -56.03 - delta_h +269.694 #kJ/mol +Sb2S3 = 3 H+ + 3 HS- + 2 Sb(OH)3 - 6 H2O + log_k -56.03 + delta_h 269.694 #kJ/mol # Enthalpy of formation: -151.400 kJ/mol 95ROB/HEM - -analytic -87.81639E-1 00.00000E+0 -14.08710E+3 00.00000E+0 00.00000E+0 + -analytic -87.81639E-1 00E+0 -14.0871E+3 00E+0 00E+0 Stilbite -NaCa2(Al5Si13)O36:16H2O = +2.000Ca+2 +1.000Na+ +5.000Al+3 -20.000H+ +13.000H4(SiO4) - log_k +22.97 - delta_h -434.152 #kJ/mol +NaCa2(Al5Si13)O36:16H2O = 2 Ca+2 + Na+ + 5 Al+3 - 20 H+ + 13 H4(SiO4) + log_k 22.97 + delta_h -434.152 #kJ/mol # Enthalpy of formation: -22579.710kJ/mol 01FRI/NEU - -analytic -53.09017E+0 00.00000E+0 22.67734E+3 00.00000E+0 00.00000E+0 - -Vm 664.700 + -analytic -53.09017E+0 00E+0 22.67734E+3 00E+0 00E+0 + -Vm 664.7 Stilleite -ZnSe = +1.000Zn+2 -1.000H+ +1.000HSe- - log_k -12.05 - delta_h +36.910 #kJ/mol +ZnSe = Zn+2 - H+ + HSe- + log_k -12.05 + delta_h 36.91 #kJ/mol # Enthalpy of formation: -176.000 kJ/mol 05OLI/NOL - -analytic -55.83646E-1 00.00000E+0 -19.27944E+2 00.00000E+0 00.00000E+0 + -analytic -55.83646E-1 00E+0 -19.27944E+2 00E+0 00E+0 Stratlingite -Ca2Al2SiO3(OH)8:4H2O = +2.000Ca+2 +2.000Al+3 -10.000H+ +1.000H4(SiO4) +11.000H2O - log_k +49.66 #10BLA/BOU2 - delta_h -397.949 #kJ/mol -# Enthalpy of formation: -6370.171 kJ/mol - -analytic -20.05767E+0 00.00000E+0 20.78632E+3 00.00000E+0 00.00000E+0 - -Vm 215.630 +Ca2Al2SiO3(OH)8:4H2O = 2 Ca+2 + 2 Al+3 - 10 H+ + H4(SiO4) + 11 H2O + log_k 49.66 #10BLA/BOU2 + delta_h -397.949 #kJ/mol +# Enthalpy of formation: -6370.171 kJ/mol + -analytic -20.05767E+0 00E+0 20.78632E+3 00E+0 00E+0 + -Vm 215.63 Strontianite -Sr(CO3) = +1.000Sr+2 +1.000CO3-2 - log_k -9.27 #84BUS/PLU - delta_h -0.366 #kJ/mol -# Enthalpy of formation: -1225.765 kJ/mol - -analytic -93.34120E-1 00.00000E+0 19.11751E+0 00.00000E+0 00.00000E+0 +Sr(CO3) = Sr+2 + CO3-2 + log_k -9.27 #84BUS/PLU + delta_h -0.366 #kJ/mol +# Enthalpy of formation: -1225.765 kJ/mol + -analytic -93.3412E-1 00E+0 19.11751E+0 00E+0 00E+0 Sudoite -Mg2Al4Si3O10(OH)8 = +2.000Mg+2 +4.000Al+3 -16.000H+ +3.000H4(SiO4) +6.000H2O - log_k +37.93 - delta_h -530.892 #kJ/mol +Mg2Al4Si3O10(OH)8 = 2 Mg+2 + 4 Al+3 - 16 H+ + 3 H4(SiO4) + 6 H2O + log_k 37.93 + delta_h -530.892 #kJ/mol # Enthalpy of formation: -8655.270 kJ/mol 05VID/PAR - -analytic -55.07829E+0 00.00000E+0 27.73042E+3 00.00000E+0 00.00000E+0 - -Vm 205.100 + -analytic -55.07829E+0 00E+0 27.73042E+3 00E+0 00E+0 + -Vm 205.1 Sylvite -KCl = +1.000K+ +1.000Cl- - log_k +0.87 - delta_h +17.460 #kJ/mol +KCl = K+ + Cl- + log_k 0.87 + delta_h 17.46 #kJ/mol # Enthalpy of formation: -436.680 kJ/mol 98CHA - -analytic 39.28861E-1 00.00000E+0 -91.19993E+1 00.00000E+0 00.00000E+0 - -Vm 37.520 + -analytic 39.28861E-1 00E+0 -91.19993E+1 00E+0 00E+0 + -Vm 37.52 Syngenite -K2Ca(SO4)2:6H2O = +1.000Ca+2 +2.000K+ +2.000SO4-2 +6.000H2O - log_k -7.45 #84HAR/MOL - -analytic -74.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +K2Ca(SO4)2:6H2O = Ca+2 + 2 K+ + 2 SO4-2 + 6 H2O + log_k -7.45 #84HAR/MOL + -analytic -74.5E-1 00E+0 00E+0 00E+0 00E+0 Tachyhydrite -Mg2CaCl6:12H2O = +1.000Ca+2 +2.000Mg+2 +6.000Cl- +12.000H2O - log_k +17.38 #84HAR/MOL - -analytic 17.38000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Mg2CaCl6:12H2O = Ca+2 + 2 Mg+2 + 6 Cl- + 12 H2O + log_k 17.38 #84HAR/MOL + -analytic 17.38E+0 00E+0 00E+0 00E+0 00E+0 Talc -Mg3Si4O10(OH)2 = +3.000Mg+2 -6.000H+ +4.000H4(SiO4) -4.000H2O - log_k +24.92 - delta_h -210.356 #kJ/mol +Mg3Si4O10(OH)2 = 3 Mg+2 - 6 H+ + 4 H4(SiO4) - 4 H2O + log_k 24.92 + delta_h -210.356 #kJ/mol # Enthalpy of formation: -5892.100 kJ/mol 01KAH/MAR - -analytic -11.93279E+0 00.00000E+0 10.98766E+3 00.00000E+0 00.00000E+0 - -Vm 136.200 + -analytic -11.93279E+0 00E+0 10.98766E+3 00E+0 00E+0 + -Vm 136.2 Tc(cr) -Tc = +1.000TcO(OH)2 +4.000H+ +4.000e- -3.000H2O - log_k -24.34 - delta_h +108.247 #kJ/mol +Tc = TcO(OH)2 + 4 H+ + 4 e- - 3 H2O + log_k -24.34 + delta_h 108.247 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 99RAR/RAN - -analytic -53.75940E-1 00.00000E+0 -56.54135E+2 00.00000E+0 00.00000E+0 + -analytic -53.7594E-1 00E+0 -56.54135E+2 00E+0 00E+0 Tc2O7(cr) -Tc2O7 = +2.000H+ +2.000TcO4- -1.000H2O - log_k +15.31 - delta_h -46.470 #kJ/mol +Tc2O7 = 2 H+ + 2 TcO4- - H2O + log_k 15.31 + delta_h -46.47 #kJ/mol # Enthalpy of formation: -1126.500 kJ/mol 99RAR/RAN - -analytic 71.68805E-1 00.00000E+0 24.27297E+2 00.00000E+0 00.00000E+0 + -analytic 71.68805E-1 00E+0 24.27297E+2 00E+0 00E+0 Tc2O7:H2O(s) -Tc2O7:H2O = +2.000H+ +2.000TcO4- - log_k +14.11 - delta_h -44.654 #kJ/mol +Tc2O7:H2O = 2 H+ + 2 TcO4- + log_k 14.11 + delta_h -44.654 #kJ/mol # Enthalpy of formation: -1414.146 kJ/mol 99RAR/RAN - -analytic 62.86955E-1 00.00000E+0 23.32441E+2 00.00000E+0 00.00000E+0 + -analytic 62.86955E-1 00E+0 23.32441E+2 00E+0 00E+0 TcO2(aged) -TcO2 = +1.000TcO(OH)2 -1.000H2O - log_k -8.72 #20GRE/GAO - -analytic -87.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +TcO2 = TcO(OH)2 - H2O + log_k -8.72 #20GRE/GAO + -analytic -87.2E-1 00E+0 00E+0 00E+0 00E+0 TcO2(cr) -TcO2 = +1.000TcO(OH)2 -1.000H2O - log_k -9.15 #97NGU/LAN - delta_h -5.613 #kJ/mol +TcO2 = TcO(OH)2 - H2O + log_k -9.15 #97NGU/LAN + delta_h -5.613 #kJ/mol # Enthalpy of formation: -457.800 kJ/mol 20GRE/GAO - -analytic -10.13336E+0 00.00000E+0 29.31874E+1 00.00000E+0 00.00000E+0 + -analytic -10.13336E+0 00E+0 29.31874E+1 00E+0 00E+0 TcO2(fresh) -TcO2 = +1.000TcO(OH)2 -1.000H2O - log_k -7.66 #20GRE/GAO - -analytic -76.60000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +TcO2 = TcO(OH)2 - H2O + log_k -7.66 #20GRE/GAO + -analytic -76.6E-1 00E+0 00E+0 00E+0 00E+0 Th(cr) -Th = +1.000Th+4 +4.000e- - log_k +123.47 - delta_h -768.700 #kJ/mol +Th = Th+4 + 4 e- + log_k 123.47 + delta_h -768.7 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 09RAN/FUG - -analytic -11.20046E+0 00.00000E+0 40.15200E+3 00.00000E+0 00.00000E+0 + -analytic -11.20046E+0 00E+0 40.152E+3 00E+0 00E+0 Th(HPO4)2(s) -Th(HPO4)2 = +1.000Th+4 -2.000H+ +2.000H2(PO4)- - log_k -16.11 #Estimated from An(IV) correlations - -analytic -16.11000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Th(HPO4)2 = Th+4 - 2 H+ + 2 H2(PO4)- + log_k -16.11 #Estimated from An(IV) correlations + -analytic -16.11E+0 00E+0 00E+0 00E+0 00E+0 Th(SO4)2:9H2O(cr) -Th(SO4)2:9H2O = +1.000Th+4 +2.000SO4-2 +9.000H2O - log_k -11.25 #09RAN/FUG - -analytic -11.25000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Th(SO4)2:9H2O = Th+4 + 2 SO4-2 + 9 H2O + log_k -11.25 #09RAN/FUG + -analytic -11.25E+0 00E+0 00E+0 00E+0 00E+0 Thenardite -Na2SO4 = +2.000Na+ +1.000SO4-2 - log_k -0.36 - delta_h -2.200 #kJ/mol +Na2SO4 = 2 Na+ + SO4-2 + log_k -0.36 + delta_h -2.2 #kJ/mol # Enthalpy of formation: -1387.820 kJ/mol 98CHA - -analytic -74.54235E-2 00.00000E+0 11.49140E+1 00.00000E+0 00.00000E+0 - -Vm 53.330 + -analytic -74.54235E-2 00E+0 11.4914E+1 00E+0 00E+0 + -Vm 53.33 Thermonatrite -Na2(CO3):H2O = +2.000Na+ +1.000CO3-2 +1.000H2O - log_k +0.48 #84HAR/MOL - delta_h -12.040 #kJ/mol +Na2(CO3):H2O = 2 Na+ + CO3-2 + H2O + log_k 0.48 #84HAR/MOL + delta_h -12.04 #kJ/mol # Enthalpy of formation: -1429.700 kJ/mol 82VAN - -analytic -16.29317E-1 00.00000E+0 62.88930E+1 00.00000E+0 00.00000E+0 + -analytic -16.29317E-1 00E+0 62.8893E+1 00E+0 00E+0 ThF4(cr) -ThF4 = +1.000Th+4 +4.000F- - log_k -30.63 - delta_h +74.611 #kJ/mol -# Enthalpy of formation: -2184.710 kJ/mol - -analytic -17.55871E+0 00.00000E+0 -38.97204E+2 00.00000E+0 00.00000E+0 +ThF4 = Th+4 + 4 F- + log_k -30.63 + delta_h 74.611 #kJ/mol +# Enthalpy of formation: -2184.710 kJ/mol + -analytic -17.55871E+0 00E+0 -38.97204E+2 00E+0 00E+0 ThO2(aged) -ThO2 = +1.000Th+4 -4.000H+ +2.000H2O - log_k +8.50 #09RAN/FUG - -analytic 85.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +ThO2 = Th+4 - 4 H+ + 2 H2O + log_k 8.5 #09RAN/FUG + -analytic 85E-1 00E+0 00E+0 00E+0 00E+0 ThO2(coll) -ThO2 = +1.000Th+4 -4.000H+ +2.000H2O - log_k +11.10 #09RAN/FUG - -analytic 11.10000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +ThO2 = Th+4 - 4 H+ + 2 H2O + log_k 11.1 #09RAN/FUG + -analytic 11.1E+0 00E+0 00E+0 00E+0 00E+0 ThO2(cr) -ThO2 = +1.000Th+4 -4.000H+ +2.000H2O - log_k +1.77 - delta_h -113.960 #kJ/mol +ThO2 = Th+4 - 4 H+ + 2 H2O + log_k 1.77 + delta_h -113.96 #kJ/mol # Enthalpy of formation: -1226.400 kJ/mol 09RAN/FUG - -analytic -18.19493E+0 00.00000E+0 59.52545E+2 00.00000E+0 00.00000E+0 + -analytic -18.19493E+0 00E+0 59.52545E+2 00E+0 00E+0 ThO2(fresh) -ThO2 = +1.000Th+4 -4.000H+ +2.000H2O - log_k +9.30 #09RAN/FUG - -analytic 93.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +ThO2 = Th+4 - 4 H+ + 2 H2O + log_k 9.3 #09RAN/FUG + -analytic 93E-1 00E+0 00E+0 00E+0 00E+0 ThO2(mcr) -ThO2 = +1.000Th+4 -4.000H+ +2.000H2O - log_k +3.00 #09RAN/FUG - -analytic 30.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +ThO2 = Th+4 - 4 H+ + 2 H2O + log_k 3 #09RAN/FUG + -analytic 30E-1 00E+0 00E+0 00E+0 00E+0 Tobermorite-11A -Ca5Si6O16.5(OH):5H2O = +5.000Ca+2 -10.000H+ +6.000H4(SiO4) -1.500H2O - log_k +65.58 #10BLA/BOU1 - delta_h -372.499 #kJ/mol +Ca5Si6O16.5(OH):5H2O = 5 Ca+2 - 10 H+ + 6 H4(SiO4) - 1.5 H2O + log_k 65.58 #10BLA/BOU1 + delta_h -372.499 #kJ/mol # Enthalpy of formation: -10680.920kJ/mol 00ZUE/FEH - -analytic 32.09765E-2 00.00000E+0 19.45698E+3 00.00000E+0 00.00000E+0 - -Vm 286.190 + -analytic 32.09765E-2 00E+0 19.45698E+3 00E+0 00E+0 + -Vm 286.19 Tobermorite-14A -Ca5Si6O16.5(OH):10H2O = +5.000Ca+2 -10.000H+ +6.000H4(SiO4) +3.500H2O - log_k +62.94 #10BLA/BOU1 - delta_h -307.419 #kJ/mol +Ca5Si6O16.5(OH):10H2O = 5 Ca+2 - 10 H+ + 6 H4(SiO4) + 3.5 H2O + log_k 62.94 #10BLA/BOU1 + delta_h -307.419 #kJ/mol # Enthalpy of formation: -12175.150kJ/mol 10BLA/BOU1 - -analytic 90.82503E-1 00.00000E+0 16.05761E+3 00.00000E+0 00.00000E+0 - -Vm 351.300 + -analytic 90.82503E-1 00E+0 16.05761E+3 00E+0 00E+0 + -Vm 351.3 Trevorite -Fe2NiO4 = +2.000Fe+3 +1.000Ni+2 -8.000H+ +4.000H2O - log_k +9.43 - delta_h -217.410 #kJ/mol -# Enthalpy of formation: -1081.032 kJ/mol - -analytic -28.65860E+0 00.00000E+0 11.35612E+3 00.00000E+0 00.00000E+0 +Fe2NiO4 = 2 Fe+3 + Ni+2 - 8 H+ + 4 H2O + log_k 9.43 + delta_h -217.41 #kJ/mol +# Enthalpy of formation: -1081.032 kJ/mol + -analytic -28.6586E+0 00E+0 11.35612E+3 00E+0 00E+0 Troilite -FeS = +1.000Fe+2 -1.000H+ +1.000HS- - log_k -3.99 - delta_h -5.685 #kJ/mol +FeS = Fe+2 - H+ + HS- + log_k -3.99 + delta_h -5.685 #kJ/mol # Enthalpy of formation: -100.910 kJ/mol 20LEM/PAL - -analytic -49.85969E-1 00.00000E+0 29.69482E+1 00.00000E+0 00.00000E+0 + -analytic -49.85969E-1 00E+0 29.69482E+1 00E+0 00E+0 Trona -Na3H(CO3)2:2H2O = +3.000Na+ +1.000H+ +2.000CO3-2 +2.000H2O - log_k -11.38 #84HAR/MOL - delta_h +38.960 #kJ/mol +Na3H(CO3)2:2H2O = 3 Na+ + H+ + 2 CO3-2 + 2 H2O + log_k -11.38 #84HAR/MOL + delta_h 38.96 #kJ/mol # Enthalpy of formation: -2682.100 kJ/mol 82VAN - -analytic -45.54501E-1 00.00000E+0 -20.35023E+2 00.00000E+0 00.00000E+0 + -analytic -45.54501E-1 00E+0 -20.35023E+2 00E+0 00E+0 Truscottite -Ca7Si12O29(OH)4:H2O = +7.000Ca+2 -14.000H+ +12.000H4(SiO4) -14.000H2O - log_k +77.08 - delta_h -479.088 #kJ/mol +Ca7Si12O29(OH)4:H2O = 7 Ca+2 - 14 H+ + 12 H4(SiO4) - 14 H2O + log_k 77.08 + delta_h -479.088 #kJ/mol # Enthalpy of formation: -16854.620kJ/mol 10BLA/BOU1 - -analytic -68.52615E-1 00.00000E+0 25.02451E+3 00.00000E+0 00.00000E+0 - -Vm 478.730 + -analytic -68.52615E-1 00E+0 25.02451E+3 00E+0 00E+0 + -Vm 478.73 U(cr) -U = +1.000U+4 +4.000e- - log_k +92.83 - delta_h -591.200 #kJ/mol +U = U+4 + 4 e- + log_k 92.83 + delta_h -591.2 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 92GRE/FUG - -analytic -10.74379E+0 00.00000E+0 30.88053E+3 00.00000E+0 00.00000E+0 + -analytic -10.74379E+0 00E+0 30.88053E+3 00E+0 00E+0 U(HPO4)2:4H2O(s) -U(HPO4)2:4H2O = +1.000U+4 -2.000H+ +2.000H2(PO4)- +4.000H2O - log_k -16.07 #92GRE/FUG - delta_h -4.890 #kJ/mol -# Enthalpy of formation: -4334.828 kJ/mol - -analytic -16.92669E+0 00.00000E+0 25.54225E+1 00.00000E+0 00.00000E+0 +U(HPO4)2:4H2O = U+4 - 2 H+ + 2 H2(PO4)- + 4 H2O + log_k -16.07 #92GRE/FUG + delta_h -4.89 #kJ/mol +# Enthalpy of formation: -4334.828 kJ/mol + -analytic -16.92669E+0 00E+0 25.54225E+1 00E+0 00E+0 U(OH)2(SO4)(cr) -U(OH)2(SO4) = +1.000U+4 -2.000H+ +1.000SO4-2 +2.000H2O - log_k -3.17 #92GRE/FUG - -analytic -31.70000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +U(OH)2(SO4) = U+4 - 2 H+ + SO4-2 + 2 H2O + log_k -3.17 #92GRE/FUG + -analytic -31.7E-1 00E+0 00E+0 00E+0 00E+0 U(SO4)2(cr) -U(SO4)2 = +1.000U+4 +2.000SO4-2 - log_k -11.68 - delta_h -100.280 #kJ/mol +U(SO4)2 = U+4 + 2 SO4-2 + log_k -11.68 + delta_h -100.28 #kJ/mol # Enthalpy of formation: -2309.600 kJ/mol 92GRE/FUG - -analytic -29.24830E+0 00.00000E+0 52.37989E+2 00.00000E+0 00.00000E+0 + -analytic -29.2483E+0 00E+0 52.37989E+2 00E+0 00E+0 U(SO4)2:4H2O(cr) -U(SO4)2:4H2O = +1.000U+4 +2.000SO4-2 +4.000H2O - log_k -11.71 - delta_h -70.000 #kJ/mol +U(SO4)2:4H2O = U+4 + 2 SO4-2 + 4 H2O + log_k -11.71 + delta_h -70 #kJ/mol # Enthalpy of formation: -3483.200 kJ/mol 92GRE/FUG - -analytic -23.97347E+0 00.00000E+0 36.56355E+2 00.00000E+0 00.00000E+0 + -analytic -23.97347E+0 00E+0 36.56355E+2 00E+0 00E+0 U(SO4)2:8H2O(s) -U(SO4)2:8H2O = +1.000U+4 +2.000SO4-2 +8.000H2O - log_k -12.77 - delta_h -33.920 #kJ/mol +U(SO4)2:8H2O = U+4 + 2 SO4-2 + 8 H2O + log_k -12.77 + delta_h -33.92 #kJ/mol # Enthalpy of formation: -4662.600 kJ/mol 92GRE/FUG - -analytic -18.71253E+0 00.00000E+0 17.71765E+2 00.00000E+0 00.00000E+0 + -analytic -18.71253E+0 00E+0 17.71765E+2 00E+0 00E+0 U2O7Ba(cr) -U2O7Ba = +1.000Ba+2 +2.000UO2+2 -6.000H+ +3.000H2O - log_k +21.39 - delta_h -193.090 #kJ/mol +U2O7Ba = Ba+2 + 2 UO2+2 - 6 H+ + 3 H2O + log_k 21.39 + delta_h -193.09 #kJ/mol # Enthalpy of formation: -3237.200 kJ/mol 92GRE/FUG - -analytic -12.43792E+0 00.00000E+0 10.08579E+3 00.00000E+0 00.00000E+0 + -analytic -12.43792E+0 00E+0 10.08579E+3 00E+0 00E+0 U2O7Ba2(cr) -U2O7Ba2 = +2.000Ba+2 +2.000UO2+ -6.000H+ +3.000H2O - log_k +35.35 - delta_h -237.344 #kJ/mol +U2O7Ba2 = 2 Ba+2 + 2 UO2+ - 6 H+ + 3 H2O + log_k 35.35 + delta_h -237.344 #kJ/mol # Enthalpy of formation: -3740.000 kJ/mol 92GRE/FUG - -analytic -62.30884E-1 00.00000E+0 12.39734E+3 00.00000E+0 00.00000E+0 + -analytic -62.30884E-1 00E+0 12.39734E+3 00E+0 00E+0 U2O7Na2(s) -U2O7Na2 = +2.000Na+ +2.000UO2+2 -6.000H+ +3.000H2O - log_k +22.60 - delta_h -172.370 #kJ/mol +U2O7Na2 = 2 Na+ + 2 UO2+2 - 6 H+ + 3 H2O + log_k 22.6 + delta_h -172.37 #kJ/mol # Enthalpy of formation: -3203.800 kJ/mol 92GRE/FUG - -analytic -75.97928E-1 00.00000E+0 90.03512E+2 00.00000E+0 00.00000E+0 + -analytic -75.97928E-1 00E+0 90.03512E+2 00E+0 00E+0 U3As4(s) -U3As4 = +3.000UO2+2 +44.000H+ +38.000e- +4.000AsO4-3 -22.000H2O - log_k -86.09 - delta_h +398.700 #kJ/mol +U3As4 = 3 UO2+2 + 44 H+ + 38 e- + 4 AsO4-3 - 22 H2O + log_k -86.09 + delta_h 398.7 #kJ/mol # Enthalpy of formation: -720.000 kJ/mol 03GUI/FAN - -analytic -16.24076E+0 00.00000E+0 -20.82555E+3 00.00000E+0 00.00000E+0 + -analytic -16.24076E+0 00E+0 -20.82555E+3 00E+0 00E+0 UAs(s) -UAs = +1.000UO2+2 +12.000H+ +11.000e- +1.000AsO4-3 -6.000H2O - log_k -10.48 - delta_h +42.140 #kJ/mol +UAs = UO2+2 + 12 H+ + 11 e- + AsO4-3 - 6 H2O + log_k -10.48 + delta_h 42.14 #kJ/mol # Enthalpy of formation: -234.300 kJ/mol 03GUI/FAN - -analytic -30.97389E-1 00.00000E+0 -22.01125E+2 00.00000E+0 00.00000E+0 + -analytic -30.97389E-1 00E+0 -22.01125E+2 00E+0 00E+0 UAs2(s) -UAs2 = +1.000UO2+2 +20.000H+ +16.000e- +2.000AsO4-3 -10.000H2O - log_k -65.68 - delta_h +315.020 #kJ/mol +UAs2 = UO2+2 + 20 H+ + 16 e- + 2 AsO4-3 - 10 H2O + log_k -65.68 + delta_h 315.02 #kJ/mol # Enthalpy of formation: -252.000 kJ/mol 03GUI/FAN - -analytic -10.49087E+0 00.00000E+0 -16.45464E+3 00.00000E+0 00.00000E+0 + -analytic -10.49087E+0 00E+0 -16.45464E+3 00E+0 00E+0 UO2(CO3)3Mg2:18H2O(s) -UO2(CO3)3Mg2:18H2O = +2.000Mg+2 +1.000UO2+2 +3.000CO3-2 +18.000H2O - log_k -29.01 - delta_h +40.570 #kJ/mol +UO2(CO3)3Mg2:18H2O = 2 Mg+2 + UO2+2 + 3 CO3-2 + 18 H2O + log_k -29.01 + delta_h 40.57 #kJ/mol # Enthalpy of formation: -9164.200 kJ/mol 99CHE/EWI - -analytic -21.90244E+0 00.00000E+0 -21.19119E+2 00.00000E+0 00.00000E+0 + -analytic -21.90244E+0 00E+0 -21.19119E+2 00E+0 00E+0 UO2(CO3)3Na4(cr) -UO2(CO3)3Na4 = +4.000Na+ +1.000UO2+2 +3.000CO3-2 - log_k -27.18 #03GUI/FAN - -analytic -27.18000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +UO2(CO3)3Na4 = 4 Na+ + UO2+2 + 3 CO3-2 + log_k -27.18 #03GUI/FAN + -analytic -27.18E+0 00E+0 00E+0 00E+0 00E+0 UO2(HPO4):4H2O(cr) -UO2(HPO4):4H2O = +1.000UO2+2 -1.000H+ +1.000H2(PO4)- +4.000H2O - log_k -4.64 #92GRE/FUG - delta_h +5.048 #kJ/mol -# Enthalpy of formation: -3469.967 kJ/mol - -analytic -37.55628E-1 00.00000E+0 -26.36754E+1 00.00000E+0 00.00000E+0 +UO2(HPO4):4H2O = UO2+2 - H+ + H2(PO4)- + 4 H2O + log_k -4.64 #92GRE/FUG + delta_h 5.048 #kJ/mol +# Enthalpy of formation: -3469.967 kJ/mol + -analytic -37.55628E-1 00E+0 -26.36754E+1 00E+0 00E+0 UO2(OH)2(beta) -UO2(OH)2 = +1.000UO2+2 -2.000H+ +2.000H2O - log_k +4.93 - delta_h -56.860 #kJ/mol +UO2(OH)2 = UO2+2 - 2 H+ + 2 H2O + log_k 4.93 + delta_h -56.86 #kJ/mol # Enthalpy of formation: -1533.800 kJ/mol 92GRE/FUG - -analytic -50.31444E-1 00.00000E+0 29.70005E+2 00.00000E+0 00.00000E+0 + -analytic -50.31444E-1 00E+0 29.70005E+2 00E+0 00E+0 UO2(Ox):3H2O(s) -UO2(Ox):3H2O = +1.000UO2+2 +1.000Ox-2 +3.000H2O - log_k -8.93 #05HUM/AND - delta_h -5.160 #kJ/mol 05HUM/AND -# Enthalpy of formation: -2701.990 kJ/mol - -analytic -98.33993E-1 00.00000E+0 26.95256E+1 00.00000E+0 00.00000E+0 +UO2(Ox):3H2O = UO2+2 + Ox-2 + 3 H2O + log_k -8.93 #05HUM/AND + delta_h -5.16 #kJ/mol 05HUM/AND +# Enthalpy of formation: -2701.990 kJ/mol + -analytic -98.33993E-1 00E+0 26.95256E+1 00E+0 00E+0 UO2(SO3)(cr) -UO2(SO3) = +1.000UO2+2 +1.000SO3-2 - log_k -16.05 - delta_h +10.940 #kJ/mol +UO2(SO3) = UO2+2 + SO3-2 + log_k -16.05 + delta_h 10.94 #kJ/mol # Enthalpy of formation: -1661.000 kJ/mol 92GRE/FUG - -analytic -14.13339E+0 00.00000E+0 -57.14360E+1 00.00000E+0 00.00000E+0 + -analytic -14.13339E+0 00E+0 -57.1436E+1 00E+0 00E+0 UO2(SO4)(cr) -UO2(SO4) = +1.000UO2+2 +1.000SO4-2 - log_k +1.89 - delta_h -83.200 #kJ/mol +UO2(SO4) = UO2+2 + SO4-2 + log_k 1.89 + delta_h -83.2 #kJ/mol # Enthalpy of formation: -1845.140 kJ/mol 92GRE/FUG - -analytic -12.68601E+0 00.00000E+0 43.45839E+2 00.00000E+0 00.00000E+0 + -analytic -12.68601E+0 00E+0 43.45839E+2 00E+0 00E+0 UO2(SO4):2.5H2O(cr) -UO2(SO4):2.5H2O = +1.000UO2+2 +1.000SO4-2 +2.500H2O - log_k -1.59 - delta_h -35.915 #kJ/mol +UO2(SO4):2.5H2O = UO2+2 + SO4-2 + 2.5 H2O + log_k -1.59 + delta_h -35.915 #kJ/mol # Enthalpy of formation: -2607.000 kJ/mol 92GRE/FUG - -analytic -78.82038E-1 00.00000E+0 18.75971E+2 00.00000E+0 00.00000E+0 + -analytic -78.82038E-1 00E+0 18.75971E+2 00E+0 00E+0 UO2(SO4):3.5H2O(cr) -UO2(SO4):3.5H2O = +1.000UO2+2 +1.000SO4-2 +3.500H2O - log_k -1.59 - delta_h -27.145 #kJ/mol +UO2(SO4):3.5H2O = UO2+2 + SO4-2 + 3.5 H2O + log_k -1.59 + delta_h -27.145 #kJ/mol # Enthalpy of formation: -2901.600 kJ/mol 92GRE/FUG - -analytic -63.45600E-1 00.00000E+0 14.17882E+2 00.00000E+0 00.00000E+0 + -analytic -63.456E-1 00E+0 14.17882E+2 00E+0 00E+0 UO2(SO4):3H2O(cr) -UO2(SO4):3H2O = +1.000UO2+2 +1.000SO4-2 +3.000H2O - log_k -1.50 - delta_h -34.330 #kJ/mol +UO2(SO4):3H2O = UO2+2 + SO4-2 + 3 H2O + log_k -1.5 + delta_h -34.33 #kJ/mol # Enthalpy of formation: -2751.500 kJ/mol 92GRE/FUG - -analytic -75.14358E-1 00.00000E+0 17.93181E+2 00.00000E+0 00.00000E+0 + -analytic -75.14358E-1 00E+0 17.93181E+2 00E+0 00E+0 UO2.25(s) -UO2.25 = +1.000U+4 -4.500H+ -0.500e- +2.250H2O - log_k -1.00 - delta_h -106.318 #kJ/mol +UO2.25 = U+4 - 4.5 H+ - 0.5 e- + 2.25 H2O + log_k -1 + delta_h -106.318 #kJ/mol # Enthalpy of formation: -1128.000 kJ/mol 92GRE/FUG - -analytic -19.62611E+0 00.00000E+0 55.53376E+2 00.00000E+0 00.00000E+0 + -analytic -19.62611E+0 00E+0 55.53376E+2 00E+0 00E+0 UO2.34(beta) -UO2.34 = +1.000U+4 -4.680H+ -0.680e- +2.340H2O - log_k +0.95 - delta_h -119.042 #kJ/mol +UO2.34 = U+4 - 4.68 H+ - 0.68 e- + 2.34 H2O + log_k 0.95 + delta_h -119.042 #kJ/mol # Enthalpy of formation: -1141.000 kJ/mol 03GUI/FAN - -analytic -19.90526E+0 00.00000E+0 62.17997E+2 00.00000E+0 00.00000E+0 + -analytic -19.90526E+0 00E+0 62.17997E+2 00E+0 00E+0 UO2.67(s) -UO2.67 = +1.000U+4 -5.340H+ -1.340e- +2.670H2O - log_k +7.00 - delta_h -162.766 #kJ/mol +UO2.67 = U+4 - 5.34 H+ - 1.34 e- + 2.67 H2O + log_k 7 + delta_h -162.766 #kJ/mol # Enthalpy of formation: -1191.600 kJ/mol 92GRE/FUG - -analytic -21.51538E+0 00.00000E+0 85.01860E+2 00.00000E+0 00.00000E+0 + -analytic -21.51538E+0 00E+0 85.0186E+2 00E+0 00E+0 UO2:2H2O(am) -UO2:2H2O = +1.000U+4 -4.000H+ +4.000H2O - log_k +1.50 #20GRE/GAO - -analytic 15.00000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +UO2:2H2O = U+4 - 4 H+ + 4 H2O + log_k 1.5 #20GRE/GAO + -analytic 15E-1 00E+0 00E+0 00E+0 00E+0 UO3(alfa) -UO3 = +1.000UO2+2 -2.000H+ +1.000H2O - log_k +9.52 - delta_h -92.420 #kJ/mol +UO3 = UO2+2 - 2 H+ + H2O + log_k 9.52 + delta_h -92.42 #kJ/mol # Enthalpy of formation: -1212.410 kJ/mol 03GUI/FAN - -analytic -66.71289E-1 00.00000E+0 48.27433E+2 00.00000E+0 00.00000E+0 + -analytic -66.71289E-1 00E+0 48.27433E+2 00E+0 00E+0 UO3(beta) -UO3 = +1.000UO2+2 -2.000H+ +1.000H2O - log_k +8.30 - delta_h -84.530 #kJ/mol +UO3 = UO2+2 - 2 H+ + H2O + log_k 8.3 + delta_h -84.53 #kJ/mol # Enthalpy of formation: -1220.300 kJ/mol 92GRE/FUG - -analytic -65.09020E-1 00.00000E+0 44.15309E+2 00.00000E+0 00.00000E+0 + -analytic -65.0902E-1 00E+0 44.15309E+2 00E+0 00E+0 UO3:0.9H2O(s) -UO3:0.9H2O = +1.000UO2+2 -2.000H+ +1.900H2O - log_k +5.00 - delta_h -55.777 #kJ/mol +UO3:0.9H2O = UO2+2 - 2 H+ + 1.9 H2O + log_k 5 + delta_h -55.777 #kJ/mol # Enthalpy of formation: -1506.300 kJ/mol 92GRE/FUG - -analytic -47.71711E-1 00.00000E+0 29.13436E+2 00.00000E+0 00.00000E+0 + -analytic -47.71711E-1 00E+0 29.13436E+2 00E+0 00E+0 UO3Na(s) -UO3Na = +1.000Na+ +1.000UO2+ -2.000H+ +1.000H2O - log_k +8.34 - delta_h -56.397 #kJ/mol +UO3Na = Na+ + UO2+ - 2 H+ + H2O + log_k 8.34 + delta_h -56.397 #kJ/mol # Enthalpy of formation: -1494.900 kJ/mol 92GRE/FUG - -analytic -15.40330E-1 00.00000E+0 29.45820E+2 00.00000E+0 00.00000E+0 + -analytic -15.4033E-1 00E+0 29.4582E+2 00E+0 00E+0 UO4Ba(s) -UO4Ba = +1.000Ba+2 +1.000UO2+2 -4.000H+ +2.000H2O - log_k +17.64 - delta_h -131.660 #kJ/mol +UO4Ba = Ba+2 + UO2+2 - 4 H+ + 2 H2O + log_k 17.64 + delta_h -131.66 #kJ/mol # Enthalpy of formation: -1993.800 kJ/mol 92GRE/FUG - -analytic -54.25842E-1 00.00000E+0 68.77081E+2 00.00000E+0 00.00000E+0 + -analytic -54.25842E-1 00E+0 68.77081E+2 00E+0 00E+0 UO4Ca(cr) -UO4Ca = +1.000Ca+2 +1.000UO2+2 -4.000H+ +2.000H2O - log_k +15.93 - delta_h -131.360 #kJ/mol +UO4Ca = Ca+2 + UO2+2 - 4 H+ + 2 H2O + log_k 15.93 + delta_h -131.36 #kJ/mol # Enthalpy of formation: -2002.300 kJ/mol 92GRE/FUG - -analytic -70.83284E-1 00.00000E+0 68.61411E+2 00.00000E+0 00.00000E+0 + -analytic -70.83284E-1 00E+0 68.61411E+2 00E+0 00E+0 UO4Li2(s) -UO4Li2 = +1.000UO2+2 -4.000H+ +2.000H2O +2.000Li+ - log_k +27.94 - delta_h -179.400 #kJ/mol +UO4Li2 = UO2+2 - 4 H+ + 2 H2O + 2 Li+ + log_k 27.94 + delta_h -179.4 #kJ/mol # Enthalpy of formation: -1968.200 kJ/mol 92GRE/FUG - -analytic -34.89531E-1 00.00000E+0 93.70715E+2 00.00000E+0 00.00000E+0 + -analytic -34.89531E-1 00E+0 93.70715E+2 00E+0 00E+0 UO4Mg(cr) -UO4Mg = +1.000Mg+2 +1.000UO2+2 -4.000H+ +2.000H2O - log_k +23.23 - delta_h -200.360 #kJ/mol +UO4Mg = Mg+2 + UO2+2 - 4 H+ + 2 H2O + log_k 23.23 + delta_h -200.36 #kJ/mol # Enthalpy of formation: -1857.300 kJ/mol 92GRE/FUG - -analytic -11.87157E+0 00.00000E+0 10.46553E+3 00.00000E+0 00.00000E+0 + -analytic -11.87157E+0 00E+0 10.46553E+3 00E+0 00E+0 UO4Na2(alfa) -UO4Na2 = +2.000Na+ +1.000UO2+2 -4.000H+ +2.000H2O - log_k +30.03 - delta_h -173.640 #kJ/mol +UO4Na2 = 2 Na+ + UO2+2 - 4 H+ + 2 H2O + log_k 30.03 + delta_h -173.64 #kJ/mol # Enthalpy of formation: -1897.700 kJ/mol 92GRE/FUG - -analytic -39.04222E-2 00.00000E+0 90.69849E+2 00.00000E+0 00.00000E+0 + -analytic -39.04222E-2 00E+0 90.69849E+2 00E+0 00E+0 UO4Na3(cr) -UO4Na3 = +3.000Na+ +1.000UO2+ -4.000H+ +2.000H2O - log_k +56.28 - delta_h -293.807 #kJ/mol +UO4Na3 = 3 Na+ + UO2+ - 4 H+ + 2 H2O + log_k 56.28 + delta_h -293.807 #kJ/mol # Enthalpy of formation: -2024.000 kJ/mol 92GRE/FUG - -analytic 48.07223E-1 00.00000E+0 15.34661E+3 00.00000E+0 00.00000E+0 + -analytic 48.07223E-1 00E+0 15.34661E+3 00E+0 00E+0 UO4Sr(alfa) -UO4Sr = +1.000Sr+2 +1.000UO2+2 -4.000H+ +2.000H2O - log_k +19.16 - delta_h -151.960 #kJ/mol +UO4Sr = Sr+2 + UO2+2 - 4 H+ + 2 H2O + log_k 19.16 + delta_h -151.96 #kJ/mol # Enthalpy of formation: -1989.600 kJ/mol 92GRE/FUG - -analytic -74.62249E-1 00.00000E+0 79.37424E+2 00.00000E+0 00.00000E+0 + -analytic -74.62249E-1 00E+0 79.37424E+2 00E+0 00E+0 UO6Ba3(cr) -UO6Ba3 = +3.000Ba+2 +1.000UO2+2 -8.000H+ +4.000H2O - log_k +92.70 - delta_h -556.320 #kJ/mol +UO6Ba3 = 3 Ba+2 + UO2+2 - 8 H+ + 4 H2O + log_k 92.7 + delta_h -556.32 #kJ/mol # Enthalpy of formation: -3210.400 kJ/mol 92GRE/FUG - -analytic -47.63080E-1 00.00000E+0 29.05862E+3 00.00000E+0 00.00000E+0 + -analytic -47.6308E-1 00E+0 29.05862E+3 00E+0 00E+0 Uraninite -UO2 = +1.000U+4 -4.000H+ +2.000H2O - log_k -4.85 - delta_h -77.860 #kJ/mol +UO2 = U+4 - 4 H+ + 2 H2O + log_k -4.85 + delta_h -77.86 #kJ/mol # Enthalpy of formation: -1085.000 kJ/mol 92GRE/FUG - -analytic -18.49049E+0 00.00000E+0 40.66911E+2 00.00000E+0 00.00000E+0 + -analytic -18.49049E+0 00E+0 40.66911E+2 00E+0 00E+0 Uranophane -Ca(UO2)2(SiO3OH)2:5H2O = +1.000Ca+2 +2.000UO2+2 -6.000H+ +2.000H4(SiO4) +5.000H2O - log_k +11.52 #20GRE/GAO - -analytic 11.52000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Ca(UO2)2(SiO3OH)2:5H2O = Ca+2 + 2 UO2+2 - 6 H+ + 2 H4(SiO4) + 5 H2O + log_k 11.52 #20GRE/GAO + -analytic 11.52E+0 00E+0 00E+0 00E+0 00E+0 US2(cr) -US2 = +1.000U+4 -2.000H+ +2.000HS- - log_k -2.43 - delta_h -103.400 #kJ/mol +US2 = U+4 - 2 H+ + 2 HS- + log_k -2.43 + delta_h -103.4 #kJ/mol # Enthalpy of formation: -520.400 kJ/mol 92GRE/FUG - -analytic -20.54490E+0 00.00000E+0 54.00958E+2 00.00000E+0 00.00000E+0 + -analytic -20.5449E+0 00E+0 54.00958E+2 00E+0 00E+0 USe2(beta) -USe2 = +1.000U+4 -2.000H+ +2.000HSe- - log_k +2.82 - delta_h -135.600 #kJ/mol +USe2 = U+4 - 2 H+ + 2 HSe- + log_k 2.82 + delta_h -135.6 #kJ/mol # Enthalpy of formation: -427.000 kJ/mol 92GRE/FUG - -analytic -20.93610E+0 00.00000E+0 70.82881E+2 00.00000E+0 00.00000E+0 + -analytic -20.9361E+0 00E+0 70.82881E+2 00E+0 00E+0 Vaesite -NiS2 = +1.000Ni+2 -2.000H+ -2.000e- +2.000HS- - log_k -17.97 - delta_h +40.388 #kJ/mol +NiS2 = Ni+2 - 2 H+ - 2 e- + 2 HS- + log_k -17.97 + delta_h 40.388 #kJ/mol # Enthalpy of formation: -128.000 kJ/mol 05GAM/BUG - -analytic -10.89433E+0 00.00000E+0 -21.09612E+2 00.00000E+0 00.00000E+0 + -analytic -10.89433E+0 00E+0 -21.09612E+2 00E+0 00E+0 Valentinite -Sb2O3 = +2.000Sb(OH)3 -3.000H2O - log_k -8.48 - delta_h +18.474 #kJ/mol +Sb2O3 = 2 Sb(OH)3 - 3 H2O + log_k -8.48 + delta_h 18.474 #kJ/mol # Enthalpy of formation: -708.770 kJ/mol 62MAH in 03ZOT/SHI - -analytic -52.43494E-1 00.00000E+0 -96.49642E+1 00.00000E+0 00.00000E+0 + -analytic -52.43494E-1 00E+0 -96.49642E+1 00E+0 00E+0 Vaterite -CaCO3 = +1.000Ca+2 +1.000CO3-2 - log_k -7.90 - delta_h -14.930 #kJ/mol +CaCO3 = Ca+2 + CO3-2 + log_k -7.9 + delta_h -14.93 #kJ/mol # Enthalpy of formation: -1203.300 kJ/mol 87GAR/PAR - -analytic -10.51562E+0 00.00000E+0 77.98482E+1 00.00000E+0 00.00000E+0 + -analytic -10.51562E+0 00E+0 77.98482E+1 00E+0 00E+0 Vermiculite_SO -(Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2 = +0.445Ca+2 +2.475Mg+2 +0.226Fe+3 +0.028Fe+2 +1.438Al+3 -10.888H+ +2.778H4(SiO4) +0.888H2O - log_k +45.88 - delta_h -464.124 #kJ/mol +(Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2 = 0.445 Ca+2 + 2.475 Mg+2 + 0.226 Fe+3 + 0.028 Fe+2 + 1.438 Al+3 - 10.888 H+ + 2.778 H4(SiO4) + 0.888 H2O + log_k 45.88 + delta_h -464.124 #kJ/mol # Enthalpy of formation: -6034.410 kJ/mol 13GAI/BLA - -analytic -35.43103E+0 00.00000E+0 24.24288E+3 00.00000E+0 00.00000E+0 - -Vm 148.360 + -analytic -35.43103E+0 00E+0 24.24288E+3 00E+0 00E+0 + -Vm 148.36 Vermiculite-Ca -Ca0.43Mg3Si3.14Al0.86O10(OH)2 = +0.430Ca+2 +3.000Mg+2 +0.860Al+3 -9.440H+ +3.140H4(SiO4) -0.560H2O - log_k +39.55 - delta_h -377.538 #kJ/mol +Ca0.43Mg3Si3.14Al0.86O10(OH)2 = 0.43 Ca+2 + 3 Mg+2 + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) - 0.56 H2O + log_k 39.55 + delta_h -377.538 #kJ/mol # Enthalpy of formation: -6148.060 kJ/mol 15BLA/VIE - -analytic -26.59182E+0 00.00000E+0 19.72018E+3 00.00000E+0 00.00000E+0 - -Vm 149.800 + -analytic -26.59182E+0 00E+0 19.72018E+3 00E+0 00E+0 + -Vm 149.8 Vermiculite-K -K0.86Mg3.00Si3.14Al0.86O10(OH)2 = +3.000Mg+2 +0.860K+ +0.860Al+3 -9.440H+ +3.140H4(SiO4) -0.560H2O - log_k +37.44 - delta_h -335.539 #kJ/mol +K0.86Mg3Si3.14Al0.86O10(OH)2 = 3 Mg+2 + 0.86 K+ + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) - 0.56 H2O + log_k 37.44 + delta_h -335.539 #kJ/mol # Enthalpy of formation: -6173.410 kJ/mol 15BLA/VIE - -analytic -21.34391E+0 00.00000E+0 17.52642E+3 00.00000E+0 00.00000E+0 - -Vm 147.560 + -analytic -21.34391E+0 00E+0 17.52642E+3 00E+0 00E+0 + -Vm 147.56 Vermiculite-Mg -Mg0.43Mg3Si3.14Al0.86O10(OH)2 = +3.430Mg+2 +0.860Al+3 -9.440H+ +3.140H4(SiO4) -0.560H2O - log_k +38.04 - delta_h -379.808 #kJ/mol +Mg0.43Mg3Si3.14Al0.86O10(OH)2 = 3.43 Mg+2 + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) - 0.56 H2O + log_k 38.04 + delta_h -379.808 #kJ/mol # Enthalpy of formation: -6113.110 kJ/mol 15BLA/VIE - -analytic -28.49951E+0 00.00000E+0 19.83875E+3 00.00000E+0 00.00000E+0 - -Vm 139.690 + -analytic -28.49951E+0 00E+0 19.83875E+3 00E+0 00E+0 + -Vm 139.69 Vermiculite-Na -Na0.86Mg3.00Si3.14Al0.86O10(OH)2 = +3.000Mg+2 +0.860Na+ +0.860Al+3 -9.440H+ +3.140H4(SiO4) -0.560H2O - log_k +38.39 - delta_h -355.541 #kJ/mol +Na0.86Mg3Si3.14Al0.86O10(OH)2 = 3 Mg+2 + 0.86 Na+ + 0.86 Al+3 - 9.44 H+ + 3.14 H4(SiO4) - 0.56 H2O + log_k 38.39 + delta_h -355.541 #kJ/mol # Enthalpy of formation: -6143.260 kJ/mol 15BLA/VIE - -analytic -23.89811E+0 00.00000E+0 18.57120E+3 00.00000E+0 00.00000E+0 - -Vm 145.710 + -analytic -23.89811E+0 00E+0 18.5712E+3 00E+0 00E+0 + -Vm 145.71 Vivianite -Fe3(PO4)2:8H2O = +3.000Fe+2 -4.000H+ +2.000H2(PO4)- +8.000H2O - log_k +3.12 #20LEM/PAL - -analytic 31.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Fe3(PO4)2:8H2O = 3 Fe+2 - 4 H+ + 2 H2(PO4)- + 8 H2O + log_k 3.12 #20LEM/PAL + -analytic 31.2E-1 00E+0 00E+0 00E+0 00E+0 Wairakite -CaAl2Si4O12:2H2O = +1.000Ca+2 +2.000Al+3 -8.000H+ +4.000H4(SiO4) -2.000H2O - log_k +14.42 - delta_h -246.216 #kJ/mol +CaAl2Si4O12:2H2O = Ca+2 + 2 Al+3 - 8 H+ + 4 H4(SiO4) - 2 H2O + log_k 14.42 + delta_h -246.216 #kJ/mol # Enthalpy of formation: -6646.700 kJ/mol 96KIS/NAV - -analytic -28.71519E+0 00.00000E+0 12.86076E+3 00.00000E+0 00.00000E+0 - -Vm 193.560 + -analytic -28.71519E+0 00E+0 12.86076E+3 00E+0 00E+0 + -Vm 193.56 Witherite -Ba(CO3) = +1.000Ba+2 +1.000CO3-2 - log_k -8.56 #86BUS/PLU - delta_h +2.941 #kJ/mol 86BUS/PLU -# Enthalpy of formation: -1212.971 kJ/mol - -analytic -80.44759E-1 00.00000E+0 -15.36191E+1 00.00000E+0 00.00000E+0 +Ba(CO3) = Ba+2 + CO3-2 + log_k -8.56 #86BUS/PLU + delta_h 2.941 #kJ/mol 86BUS/PLU +# Enthalpy of formation: -1212.971 kJ/mol + -analytic -80.44759E-1 00E+0 -15.36191E+1 00E+0 00E+0 Xonotlite -Ca6Si6O17(OH)2 = +6.000Ca+2 -12.000H+ +6.000H4(SiO4) -5.000H2O - log_k +91.34 #10BLA/BOU1 - delta_h -573.864 #kJ/mol +Ca6Si6O17(OH)2 = 6 Ca+2 - 12 H+ + 6 H4(SiO4) - 5 H2O + log_k 91.34 #10BLA/BOU1 + delta_h -573.864 #kJ/mol # Enthalpy of formation: -10022.150kJ/mol 56NEW - -analytic -91.96657E-1 00.00000E+0 29.97500E+3 00.00000E+0 00.00000E+0 - -Vm 256.900 + -analytic -91.96657E-1 00E+0 29.975E+3 00E+0 00E+0 + -Vm 256.9 Zeolite_CaP -Ca2Al4Si4O16:9H2O = +2.000Ca+2 +4.000Al+3 -16.000H+ +4.000H4(SiO4) +9.000H2O - log_k +45.15 #09BLA - delta_h -527.736 #kJ/mol +Ca2Al4Si4O16:9H2O = 2 Ca+2 + 4 Al+3 - 16 H+ + 4 H4(SiO4) + 9 H2O + log_k 45.15 #09BLA + delta_h -527.736 #kJ/mol # Enthalpy of formation: -11129.110kJ/mol 09BLA - -analytic -47.30538E+0 00.00000E+0 27.56557E+3 00.00000E+0 00.00000E+0 - -Vm 305.700 + -analytic -47.30538E+0 00E+0 27.56557E+3 00E+0 00E+0 + -Vm 305.7 Zn(cr) -Zn = +1.000Zn+2 +2.000e- - log_k +25.79 - delta_h -153.390 #kJ/mol +Zn = Zn+2 + 2 e- + log_k 25.79 + delta_h -153.39 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic -10.82774E-1 00.00000E+0 80.12118E+2 00.00000E+0 00.00000E+0 + -analytic -10.82774E-1 00E+0 80.12118E+2 00E+0 00E+0 Zn(SeO4):6H2O(s) -Zn(SeO4):6H2O = +1.000Zn+2 +1.000SeO4-2 +6.000H2O - log_k -1.54 #05OLI/NOL - delta_h -13.330 #kJ/mol +Zn(SeO4):6H2O = Zn+2 + SeO4-2 + 6 H2O + log_k -1.54 #05OLI/NOL + delta_h -13.33 #kJ/mol # Enthalpy of formation: -2458.540 kJ/mol 05OLI/NOL - -analytic -38.75316E-1 00.00000E+0 69.62744E+1 00.00000E+0 00.00000E+0 + -analytic -38.75316E-1 00E+0 69.62744E+1 00E+0 00E+0 Zn3(AsO4)2(s) -Zn3(AsO4)2 = +3.000Zn+2 +2.000AsO4-3 - log_k -27.45 - -analytic -27.45000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Zn3(AsO4)2 = 3 Zn+2 + 2 AsO4-3 + log_k -27.45 + -analytic -27.45E+0 00E+0 00E+0 00E+0 00E+0 ZnB2O4(s) -ZnB2O4 = +1.000Zn+2 +2.000B(OH)4- -4.000H2O - log_k -10.19 #91BAL/NOR - -analytic -10.19000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +ZnB2O4 = Zn+2 + 2 B(OH)4- - 4 H2O + log_k -10.19 #91BAL/NOR + -analytic -10.19E+0 00E+0 00E+0 00E+0 00E+0 Zr(cr) -Zr = +4.000e- +1.000Zr+4 - log_k +92.59 - delta_h -608.500 #kJ/mol +Zr = 4 e- + Zr+4 + log_k 92.59 + delta_h -608.5 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 05BRO/CUR - -analytic -14.01462E+0 00.00000E+0 31.78417E+3 00.00000E+0 00.00000E+0 + -analytic -14.01462E+0 00E+0 31.78417E+3 00E+0 00E+0 Zr(HPO4)2(alfa) -Zr(HPO4)2 = -2.000H+ +2.000H2(PO4)- +1.000Zr+4 - log_k -32.27 - delta_h -47.500 #kJ/mol +Zr(HPO4)2 = -2 H+ + 2 H2(PO4)- + Zr+4 + log_k -32.27 + delta_h -47.5 #kJ/mol # Enthalpy of formation: -3166.200 kJ/mol 05BRO/CUR - -analytic -40.59164E+0 00.00000E+0 24.81098E+2 00.00000E+0 00.00000E+0 + -analytic -40.59164E+0 00E+0 24.81098E+2 00E+0 00E+0 Zr(HPO4)2:H2O(cr) -Zr(HPO4)2:H2O = -2.000H+ +2.000H2(PO4)- +1.000Zr+4 +1.000H2O - log_k -27.08 #05BRO/CUR - delta_h -33.430 #kJ/mol +Zr(HPO4)2:H2O = -2 H+ + 2 H2(PO4)- + Zr+4 + H2O + log_k -27.08 #05BRO/CUR + delta_h -33.43 #kJ/mol # Enthalpy of formation: -3466.100 kJ/mol 05BRO/CUR - -analytic -32.93668E+0 00.00000E+0 17.46171E+2 00.00000E+0 00.00000E+0 + -analytic -32.93668E+0 00E+0 17.46171E+2 00E+0 00E+0 Zr(OH)4(am,aged) -Zr(OH)4 = -4.000H+ +1.000Zr+4 +4.000H2O - log_k -5.55 #Recalculated from 04EKB/KAL in 05BRO/CUR - -analytic -55.50000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Zr(OH)4 = -4 H+ + Zr+4 + 4 H2O + log_k -5.55 #Recalculated from 04EKB/KAL in 05BRO/CUR + -analytic -55.5E-1 00E+0 00E+0 00E+0 00E+0 Zr(OH)4(am,fresh) -Zr(OH)4 = -4.000H+ +1.000Zr+4 +4.000H2O - log_k -3.24 #05BRO/CUR - delta_h -89.620 #kJ/mol +Zr(OH)4 = -4 H+ + Zr+4 + 4 H2O + log_k -3.24 #05BRO/CUR + delta_h -89.62 #kJ/mol # Enthalpy of formation: -1662.200 kJ/mol 05BRO/CUR - -analytic -18.94075E+0 00.00000E+0 46.81179E+2 00.00000E+0 00.00000E+0 + -analytic -18.94075E+0 00E+0 46.81179E+2 00E+0 00E+0 Zr(SO4)2(cr) -Zr(SO4)2 = +2.000SO4-2 +1.000Zr+4 - log_k +1.24 - delta_h -181.980 #kJ/mol +Zr(SO4)2 = 2 SO4-2 + Zr+4 + log_k 1.24 + delta_h -181.98 #kJ/mol # Enthalpy of formation: -2245.200 kJ/mol 05BRO/CUR - -analytic -30.64153E+0 00.00000E+0 95.05477E+2 00.00000E+0 00.00000E+0 + -analytic -30.64153E+0 00E+0 95.05477E+2 00E+0 00E+0 Zr(SO4)2:4H2O(s) -Zr(SO4)2:4H2O = +2.000SO4-2 +1.000Zr+4 +4.000H2O - log_k -7.65 - delta_h -99.600 #kJ/mol +Zr(SO4)2:4H2O = 2 SO4-2 + Zr+4 + 4 H2O + log_k -7.65 + delta_h -99.6 #kJ/mol # Enthalpy of formation: -3470.900 kJ/mol 05BRO/CUR - -analytic -25.09917E+0 00.00000E+0 52.02470E+2 00.00000E+0 00.00000E+0 + -analytic -25.09917E+0 00E+0 52.0247E+2 00E+0 00E+0 ZrBr4(cr) -ZrBr4 = +4.000Br- +1.000Zr+4 - log_k +38.52 - delta_h -334.640 #kJ/mol +ZrBr4 = 4 Br- + Zr+4 + log_k 38.52 + delta_h -334.64 #kJ/mol # Enthalpy of formation: -759.500 kJ/mol 05BRO/CUR - -analytic -20.10641E+0 00.00000E+0 17.47946E+3 00.00000E+0 00.00000E+0 + -analytic -20.10641E+0 00E+0 17.47946E+3 00E+0 00E+0 ZrCl(s) -ZrCl = +3.000e- +1.000Cl- +1.000Zr+4 - log_k +69.24 - delta_h -484.380 #kJ/mol +ZrCl = 3 e- + Cl- + Zr+4 + log_k 69.24 + delta_h -484.38 #kJ/mol # Enthalpy of formation: -291.200 kJ/mol 05BRO/CUR - -analytic -15.61973E+0 00.00000E+0 25.30093E+3 00.00000E+0 00.00000E+0 + -analytic -15.61973E+0 00E+0 25.30093E+3 00E+0 00E+0 ZrCl2(s) -ZrCl2 = +2.000e- +2.000Cl- +1.000Zr+4 - log_k +51.65 - delta_h -399.860 #kJ/mol +ZrCl2 = 2 e- + 2 Cl- + Zr+4 + log_k 51.65 + delta_h -399.86 #kJ/mol # Enthalpy of formation: -542.800 kJ/mol 05BRO/CUR - -analytic -18.40246E+0 00.00000E+0 20.88614E+3 00.00000E+0 00.00000E+0 + -analytic -18.40246E+0 00E+0 20.88614E+3 00E+0 00E+0 ZrCl3(s) -ZrCl3 = +1.000e- +3.000Cl- +1.000Zr+4 - log_k +40.72 - delta_h -349.640 #kJ/mol +ZrCl3 = e- + 3 Cl- + Zr+4 + log_k 40.72 + delta_h -349.64 #kJ/mol # Enthalpy of formation: -760.100 kJ/mol 05BRO/CUR - -analytic -20.53430E+0 00.00000E+0 18.26297E+3 00.00000E+0 00.00000E+0 + -analytic -20.5343E+0 00E+0 18.26297E+3 00E+0 00E+0 ZrCl4(s) -ZrCl4 = +4.000Cl- +1.000Zr+4 - log_k +28.60 - delta_h -296.020 #kJ/mol +ZrCl4 = 4 Cl- + Zr+4 + log_k 28.6 + delta_h -296.02 #kJ/mol # Enthalpy of formation: -980.800 kJ/mol 05BRO/CUR - -analytic -23.26048E+0 00.00000E+0 15.46220E+3 00.00000E+0 00.00000E+0 + -analytic -23.26048E+0 00E+0 15.4622E+3 00E+0 00E+0 ZrF2(s) -ZrF2 = +2.000e- +2.000F- +1.000Zr+4 - log_k +32.61 - delta_h -323.200 #kJ/mol +ZrF2 = 2 e- + 2 F- + Zr+4 + log_k 32.61 + delta_h -323.2 #kJ/mol # Enthalpy of formation: -956.000 kJ/mol 97VIS/COR - -analytic -24.01221E+0 00.00000E+0 16.88191E+3 00.00000E+0 00.00000E+0 + -analytic -24.01221E+0 00E+0 16.88191E+3 00E+0 00E+0 ZrF3(s) -ZrF3 = +1.000e- +3.000F- +1.000Zr+4 - log_k +2.80 - delta_h -181.550 #kJ/mol +ZrF3 = e- + 3 F- + Zr+4 + log_k 2.8 + delta_h -181.55 #kJ/mol # Enthalpy of formation: -1433.000 kJ/mol 97VIS/COR - -analytic -29.00619E+0 00.00000E+0 94.83017E+2 00.00000E+0 00.00000E+0 + -analytic -29.00619E+0 00E+0 94.83017E+2 00E+0 00E+0 ZrF4(beta) -ZrF4 = +4.000F- +1.000Zr+4 - log_k -27.25 - delta_h -38.600 #kJ/mol +ZrF4 = 4 F- + Zr+4 + log_k -27.25 + delta_h -38.6 #kJ/mol # Enthalpy of formation: -1911.300 kJ/mol 05BRO/CUR - -analytic -34.01243E+0 00.00000E+0 20.16218E+2 00.00000E+0 00.00000E+0 + -analytic -34.01243E+0 00E+0 20.16218E+2 00E+0 00E+0 ZrI4(cr) -ZrI4 = +4.000I- +1.000Zr+4 - log_k +44.59 - delta_h -346.720 #kJ/mol +ZrI4 = 4 I- + Zr+4 + log_k 44.59 + delta_h -346.72 #kJ/mol # Enthalpy of formation: -488.900 kJ/mol 05BRO/CUR - -analytic -16.15274E+0 00.00000E+0 18.11045E+3 00.00000E+0 00.00000E+0 + -analytic -16.15274E+0 00E+0 18.11045E+3 00E+0 00E+0 ZrO2(cr) -ZrO2 = -4.000H+ +1.000Zr+4 +2.000H2O - log_k -7.00 - delta_h -79.560 #kJ/mol +ZrO2 = -4 H+ + Zr+4 + 2 H2O + log_k -7 + delta_h -79.56 #kJ/mol # Enthalpy of formation: -1100.600 kJ/mol 05BRO/CUR - -analytic -20.93831E+0 00.00000E+0 41.55708E+2 00.00000E+0 00.00000E+0 + -analytic -20.93831E+0 00E+0 41.55708E+2 00E+0 00E+0 ZrSiO4(s) -ZrSiO4 = -4.000H+ +1.000H4(SiO4) +1.000Zr+4 - log_k -14.36 - delta_h -35.494 #kJ/mol +ZrSiO4 = -4 H+ + H4(SiO4) + Zr+4 + log_k -14.36 + delta_h -35.494 #kJ/mol # Enthalpy of formation: -2034.200 kJ/mol 05BRO/CUR - -analytic -20.57828E+0 00.00000E+0 18.53981E+2 00.00000E+0 00.00000E+0 + -analytic -20.57828E+0 00E+0 18.53981E+2 00E+0 00E+0 # PMATCH GASES CH4(g) -CH4 = +10.000H+ +8.000e- +1.000CO3-2 -3.000H2O - log_k -41.05 - delta_h +257.133 #kJ/mol +CH4 = 10 H+ + 8 e- + CO3-2 - 3 H2O + log_k -41.05 + delta_h 257.133 #kJ/mol # Enthalpy of formation: -74.873 kJ/mol 98CHA - -analytic 39.97768E-1 00.00000E+0 -13.43099E+3 00.00000E+0 00.00000E+0 + -analytic 39.97768E-1 00E+0 -13.43099E+3 00E+0 00E+0 Cl2(g) -Cl2 = -2.000e- +2.000Cl- - log_k +45.98 - delta_h -334.160 #kJ/mol +Cl2 = -2 e- + 2 Cl- + log_k 45.98 + delta_h -334.16 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic -12.56232E+0 00.00000E+0 17.45439E+3 00.00000E+0 00.00000E+0 + -analytic -12.56232E+0 00E+0 17.45439E+3 00E+0 00E+0 CO(g) -CO = +4.000H+ +2.000e- +1.000CO3-2 -2.000H2O - log_k -14.64 - delta_h +6.960 #kJ/mol +CO = 4 H+ + 2 e- + CO3-2 - 2 H2O + log_k -14.64 + delta_h 6.96 #kJ/mol # Enthalpy of formation: -110.530 kJ/mol 89COX/WAG - -analytic -13.42066E+0 00.00000E+0 -36.35461E+1 00.00000E+0 00.00000E+0 + -analytic -13.42066E+0 00E+0 -36.35461E+1 00E+0 00E+0 CO2(g) -CO2 = +2.000H+ +1.000CO3-2 -1.000H2O - log_k -18.15 - delta_h +4.110 #kJ/mol +CO2 = 2 H+ + CO3-2 - H2O + log_k -18.15 + delta_h 4.11 #kJ/mol # Enthalpy of formation: -393.510 kJ/mol 89COX/WAG - -analytic -17.42996E+0 00.00000E+0 -21.46803E+1 00.00000E+0 00.00000E+0 + -analytic -17.42996E+0 00E+0 -21.46803E+1 00E+0 00E+0 F2(g) -F2 = -2.000e- +2.000F- - log_k +98.64 - delta_h -670.700 #kJ/mol +F2 = -2 e- + 2 F- + log_k 98.64 + delta_h -670.7 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic -18.86160E+0 00.00000E+0 35.03310E+3 00.00000E+0 00.00000E+0 + -analytic -18.8616E+0 00E+0 35.0331E+3 00E+0 00E+0 H2(g) -H2 = +2.000H+ +2.000e- - log_k +0.00 - delta_h +0.000 #kJ/mol +H2 = 2 H+ + 2 e- + log_k 0 + delta_h 0 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 + -analytic 00E+0 00E+0 00E+0 00E+0 00E+0 H2O(g) -H2O = +2.000H+ +2.000e- +0.500O2 - log_k -41.50 - delta_h +235.759 #kJ/mol +H2O = 2 H+ + 2 e- + 0.5 O2 + log_k -41.5 + delta_h 235.759 #kJ/mol # Enthalpy of formation: -241.826 kJ/mol 89COX/WAG - -analytic -19.67962E-2 00.00000E+0 -12.31455E+3 00.00000E+0 00.00000E+0 + -analytic -19.67962E-2 00E+0 -12.31455E+3 00E+0 00E+0 H2S(g) -H2S = +1.000H+ +1.000HS- - log_k -8.00 - delta_h +4.300 #kJ/mol +H2S = H+ + HS- + log_k -8 + delta_h 4.3 #kJ/mol # Enthalpy of formation: -20.600 kJ/mol 89COX/WAG - -analytic -72.46672E-1 00.00000E+0 -22.46046E+1 00.00000E+0 00.00000E+0 + -analytic -72.46672E-1 00E+0 -22.46046E+1 00E+0 00E+0 HCl(g) -HCl = +1.000H+ +1.000Cl- - log_k +6.29 - delta_h -74.770 #kJ/mol +HCl = H+ + Cl- + log_k 6.29 + delta_h -74.77 #kJ/mol # Enthalpy of formation: -92.310 kJ/mol 89COX/WAG - -analytic -68.09142E-1 00.00000E+0 39.05509E+2 00.00000E+0 00.00000E+0 + -analytic -68.09142E-1 00E+0 39.05509E+2 00E+0 00E+0 Hg(CH3)2(g) -Hg(CH3)2 = -2.000H+ +2.000CH4 +1.000Hg+2 - log_k -8.82 #18BLA/BUR - -analytic -88.20000E-1 00.00000E+0 00.00000E+0 00.00000E+0 00.00000E+0 +Hg(CH3)2 = -2 H+ + 2 CH4 + Hg+2 + log_k -8.82 #18BLA/BUR + -analytic -88.2E-1 00E+0 00E+0 00E+0 00E+0 N2(g) -N2 = +12.000H+ +10.000e- +2.000NO3- -6.000H2O - log_k -210.45 - delta_h +1301.280 #kJ/mol +N2 = 12 H+ + 10 e- + 2 NO3- - 6 H2O + log_k -210.45 + delta_h 1301.28 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic 17.52447E+0 00.00000E+0 -67.97059E+3 00.00000E+0 00.00000E+0 + -analytic 17.52447E+0 00E+0 -67.97059E+3 00E+0 00E+0 O2(g) -O2 = +1.000O2 - log_k -2.90 - delta_h -12.134 #kJ/mol +O2 = O2 + log_k -2.9 + delta_h -12.134 #kJ/mol # Enthalpy of formation: +0.000 kJ/mol 89COX/WAG - -analytic -50.25786E-1 00.00000E+0 63.38030E+1 00.00000E+0 00.00000E+0 + -analytic -50.25786E-1 00E+0 63.3803E+1 00E+0 00E+0 SO2(g) -SO2 = +2.000H+ +1.000SO3-2 -1.000H2O - log_k -8.94 - delta_h -48.420 #kJ/mol +SO2 = 2 H+ + SO3-2 - H2O + log_k -8.94 + delta_h -48.42 #kJ/mol # Enthalpy of formation: -296.810 kJ/mol 89COX/WAG - -analytic -17.42282E+0 00.00000E+0 25.29153E+2 00.00000E+0 00.00000E+0 + -analytic -17.42282E+0 00E+0 25.29153E+2 00E+0 00E+0 From 291512edb51bd016a74d157525902d98b1b18c5f Mon Sep 17 00:00:00 2001 From: David Parkhurst Date: Sun, 19 May 2024 22:32:41 -0600 Subject: [PATCH 6/6] lsp of databases, changed alk of e- to 1.0 in all databases, modified sit.dat --- database/Amm.dat | 2100 +-- database/Tipping_Hurley.dat | 4780 +++--- database/iso.dat | 5894 +++---- database/llnl.dat | 23812 ++++++++++++++-------------- database/minimum.dat | 94 +- database/minteq.dat | 8718 +++++----- database/minteq.v4.dat | 19238 +++++++++++----------- database/phreeqc.dat | 2102 +-- database/phreeqc_rates.dat | 2200 +-- database/pitzer.dat | 1278 +- database/sit.dat | 57 +- database/wateq4f.dat | 4460 +++--- doc/RELEASE.TXT | 11 + mytest/CMakeLists.txt | 1 - mytest/count_database_species.out | 56 +- 15 files changed, 37449 insertions(+), 37352 deletions(-) diff --git a/database/Amm.dat b/database/Amm.dat index 4f815c5b5..8c8c47015 100644 --- a/database/Amm.dat +++ b/database/Amm.dat @@ -1,69 +1,72 @@ +# File 1 = C:\GitPrograms\phreeqc3-1\database\Amm.dat, 17/05/2024 14:30, 1947 lines, 55811 bytes, md5=f11f0d8a8ca35e2b27e82514f241db82 +# Created 17 May 2024 14:30:37 +# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "Amm.dat" + # PHREEQC.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Based on: # diffusion coefficients and molal volumina of aqueous species, solubility and volume of minerals, and critical temperatures and pressures of gases in Peng-Robinson's EOS. # Details are given at the end of this file. SOLUTION_MASTER_SPECIES # -#element species alk gfw_formula element_gfw +#element species alk gfw_formula element_gfw # -H H+ -1.0 H 1.008 -H(0) H2 0 H -H(1) H+ -1.0 H -E e- 0 0 0 -O H2O 0 O 16.0 -O(0) O2 0 O -O(-2) H2O 0 0 -Ca Ca+2 0 Ca 40.08 -Mg Mg+2 0 Mg 24.312 -Na Na+ 0 Na 22.9898 -K K+ 0 K 39.102 -Fe Fe+2 0 Fe 55.847 -Fe(+2) Fe+2 0 Fe -Fe(+3) Fe+3 -2.0 Fe -Mn Mn+2 0 Mn 54.938 -Mn(+2) Mn+2 0 Mn -Mn(+3) Mn+3 0 Mn -Al Al+3 0 Al 26.9815 -Ba Ba+2 0 Ba 137.34 -Sr Sr+2 0 Sr 87.62 -Si H4SiO4 0 SiO2 28.0843 -Cl Cl- 0 Cl 35.453 -C CO3-2 2.0 HCO3 12.0111 -C(+4) CO3-2 2.0 HCO3 -C(-4) CH4 0 CH4 -Alkalinity CO3-2 1.0 Ca0.5(CO3)0.5 50.05 -S SO4-2 0 SO4 32.064 -S(6) SO4-2 0 SO4 -S(-2) HS- 1.0 S -N NO3- 0 N 14.0067 -N(+5) NO3- 0 NO3 -N(+3) NO2- 0 NO2 -N(0) N2 0 N -# N(-3) NH4+ NH4 14.0067 -Amm AmmH+ 0 AmmH 17.031 -B H3BO3 0 B 10.81 -P PO4-3 2.0 P 30.9738 -F F- 0 F 18.9984 -Li Li+ 0 Li 6.939 -Br Br- 0 Br 79.904 -Zn Zn+2 0 Zn 65.37 -Cd Cd+2 0 Cd 112.4 -Pb Pb+2 0 Pb 207.19 -Cu Cu+2 0 Cu 63.546 -Cu(+2) Cu+2 0 Cu -Cu(+1) Cu+1 0 Cu -# redox-uncoupled gases -Hdg Hdg 0 Hdg 2.016 # H2 gas -Oxg Oxg 0 Oxg 32 # O2 gas -Mtg Mtg 0 Mtg 16.032 # CH4 gas -Sg H2Sg 0.0 H2Sg 32.064 # H2S gas -Ntg Ntg 0 Ntg 28.0134 # N2 gas - +H H+ -1 H 1.008 +H(0) H2 0 H +H(1) H+ -1 H +E e- 1 0 0 +O H2O 0 O 16 +O(0) O2 0 O +O(-2) H2O 0 0 +Ca Ca+2 0 Ca 40.08 +Mg Mg+2 0 Mg 24.312 +Na Na+ 0 Na 22.9898 +K K+ 0 K 39.102 +Fe Fe+2 0 Fe 55.847 +Fe(+2) Fe+2 0 Fe +Fe(+3) Fe+3 -2 Fe +Mn Mn+2 0 Mn 54.938 +Mn(+2) Mn+2 0 Mn +Mn(+3) Mn+3 0 Mn +Al Al+3 0 Al 26.9815 +Ba Ba+2 0 Ba 137.34 +Sr Sr+2 0 Sr 87.62 +Si H4SiO4 0 SiO2 28.0843 +Cl Cl- 0 Cl 35.453 +C CO3-2 2 HCO3 12.0111 +C(+4) CO3-2 2 HCO3 +C(-4) CH4 0 CH4 +Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05 +S SO4-2 0 SO4 32.064 +S(6) SO4-2 0 SO4 +S(-2) HS- 1 S +N NO3- 0 N 14.0067 +N(+5) NO3- 0 NO3 +N(+3) NO2- 0 NO2 +N(0) N2 0 N +#N(-3) NH4+ 0 NH4 14.0067 +Amm AmmH+ 0 AmmH 17.031 +B H3BO3 0 B 10.81 +P PO4-3 2 P 30.9738 +F F- 0 F 18.9984 +Li Li+ 0 Li 6.939 +Br Br- 0 Br 79.904 +Zn Zn+2 0 Zn 65.37 +Cd Cd+2 0 Cd 112.4 +Pb Pb+2 0 Pb 207.19 +Cu Cu+2 0 Cu 63.546 +Cu(+2) Cu+2 0 Cu +Cu(+1) Cu+1 0 Cu +# redox-uncoupled gases +Hdg Hdg 0 Hdg 2.016 # H2 gas +Oxg Oxg 0 Oxg 32 # O2 gas +Mtg Mtg 0 Mtg 16.032 # CH4 gas +Sg H2Sg 0 H2Sg 32.064 # H2S gas +Ntg Ntg 0 Ntg 28.0134 # N2 gas SOLUTION_SPECIES H+ = H+ - -gamma 9.0 0 - -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570 # for viscosity parameters see ref. 4 - -dw 9.31e-9 838 16.315 0 2.376 24.01 0 + -gamma 9 0 + -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.57 # for viscosity parameters see ref. 4 + -dw 9.31e-9 838 16.315 0 2.376 24.01 0 # Dw(25 C) dw_T a a2 visc a3 a_v_dif # Dw(TK) = 9.31e-9 * exp(838 / TK - 838 / 298.15) * viscos_0_25 / viscos_0_tc # a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif @@ -76,585 +79,585 @@ H+ = H+ # If a_v_dif <> 0, Dw(TK) *= (viscos_0_tc / viscos)^a_v_dif in TRANSPORT. e- = e- H2O = H2O - -dw 2.299e-9 -254 + -dw 2.299e-9 -254 # H2O + 0.01e- = H2O-0.01; -log_k -9 # aids convergence Li+ = Li+ - -gamma 6.0 0 # The apparent volume parameters are defined in ref. 1 & 2 - -Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138 - -viscosity 0.162 -2.45e-2 3.73e-2 9.7e-4 8.1e-4 2.087 # < 10 M LiCl - -dw 1.03e-9 -14 4.03 0.8341 1.679 + -gamma 6 0 # The apparent volume parameters are defined in ref. 1 & 2 + -Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138 + -viscosity 0.162 -2.45e-2 3.73e-2 9.7e-4 8.1e-4 2.087 # < 10 M LiCl + -dw 1.03e-9 -14 4.03 0.8341 1.679 Na+ = Na+ - -gamma 4.0 0.075 - -gamma 4.08 0.082 # halite solubility - -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 + -gamma 4 0.075 + -gamma 4.08 0.082 # halite solubility + -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 # -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.45 # for densities (rho) when I > 3. - -viscosity 0.1387 -8.66e-2 1.25e-2 1.45e-2 7.5e-3 1.062 - -dw 1.33e-9 75 3.627 0 0.7037 + -viscosity 0.1387 -8.66e-2 1.25e-2 1.45e-2 7.5e-3 1.062 + -dw 1.33e-9 75 3.627 0 0.7037 K+ = K+ - -gamma 3.5 0.015 - -Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 - -viscosity 0.116 -0.191 1.52e-2 1.40e-2 2.59e-2 0.9028 - -dw 1.96e-9 254 3.484 0 0.1964 + -gamma 3.5 0.015 + -Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 + -viscosity 0.116 -0.191 1.52e-2 1.4e-2 2.59e-2 0.9028 + -dw 1.96e-9 254 3.484 0 0.1964 Mg+2 = Mg+2 - -gamma 5.5 0.20 - -Vm -1.410 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 - -viscosity 0.426 0 0 1.66e-3 4.32e-3 2.461 - -dw 0.705e-9 -4 5.569 0 1.047 + -gamma 5.5 0.2 + -Vm -1.41 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 + -viscosity 0.426 0 0 1.66e-3 4.32e-3 2.461 + -dw 0.705e-9 -4 5.569 0 1.047 Ca+2 = Ca+2 - -gamma 5.0 0.1650 - -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.60 -57.1 -6.12e-3 1 - -viscosity 0.359 -0.158 4.2e-2 1.5e-3 8.04e-3 2.30 # ref. 4, CaCl2 < 6 M - -dw 0.792e-9 34 5.411 0 1.046 + -gamma 5 0.165 + -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.6 -57.1 -6.12e-3 1 + -viscosity 0.359 -0.158 4.2e-2 1.5e-3 8.04e-3 2.3 # ref. 4, CaCl2 < 6 M + -dw 0.792e-9 34 5.411 0 1.046 Sr+2 = Sr+2 - -gamma 5.260 0.121 - -Vm -1.57e-2 -10.15 10.18 -2.36 0.860 5.26 0.859 -27.0 -4.1e-3 1.97 - -viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876 - -dw 0.794e-9 160 0.680 0.767 1e-9 0.912 + -gamma 5.26 0.121 + -Vm -1.57e-2 -10.15 10.18 -2.36 0.86 5.26 0.859 -27 -4.1e-3 1.97 + -viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876 + -dw 0.794e-9 160 0.68 0.767 1e-9 0.912 Ba+2 = Ba+2 - -gamma 5.0 0 - -gamma 4.0 0.153 # Barite solubility - -Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1 - -viscosity 0.338 -0.227 1.39e-2 3.07e-2 0 0.768 - -dw 0.848e-9 174 10.53 0 3.0 + -gamma 5 0 + -gamma 4 0.153 # Barite solubility + -Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1 + -viscosity 0.338 -0.227 1.39e-2 3.07e-2 0 0.768 + -dw 0.848e-9 174 10.53 0 3 Fe+2 = Fe+2 - -gamma 6.0 0 - -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 - -dw 0.719e-9 + -gamma 6 0 + -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 + -dw 0.719e-9 Mn+2 = Mn+2 - -gamma 6.0 0 - -Vm -1.10 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 - -dw 0.688e-9 + -gamma 6 0 + -Vm -1.1 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 + -dw 0.688e-9 Al+3 = Al+3 - -gamma 9.0 0 - -Vm -2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353. - -dw 0.559e-9 + -gamma 9 0 + -Vm -2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353 + -dw 0.559e-9 H4SiO4 = H4SiO4 - -Vm 10.5 1.7 20 -2.7 0.1291 # supcrt + 2*H2O in a1 - -dw 1.10e-9 + -Vm 10.5 1.7 20 -2.7 0.1291 # supcrt 2*H2O in a1 + -dw 1.1e-9 Cl- = Cl- - -gamma 3.5 0.015 - -gamma 3.63 0.017 # cf. pitzer.dat - -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 - -viscosity 0 0 0 0 0 0 1 # the reference solute - -dw 2.033e-9 216 3.160 0.2071 0.7432 + -gamma 3.5 0.015 + -gamma 3.63 0.017 # cf. pitzer.dat + -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 + -viscosity 0 0 0 0 0 0 1 # the reference solute + -dw 2.033e-9 216 3.16 0.2071 0.7432 CO3-2 = CO3-2 - -gamma 5.4 0 - -Vm 6.09 -2.78 -0.405 -5.30 5.02 0 0.169 101 -1.38e-2 0.9316 - -viscosity -0.5 0.6521 5.44e-3 1.06e-3 -2.18e-2 1.208 -2.147 - -dw 0.955e-9 -103 2.246 7.13e-2 0.3686 + -gamma 5.4 0 + -Vm 6.09 -2.78 -0.405 -5.3 5.02 0 0.169 101 -1.38e-2 0.9316 + -viscosity -0.5 0.6521 5.44e-3 1.06e-3 -2.18e-2 1.208 -2.147 + -dw 0.955e-9 -103 2.246 7.13e-2 0.3686 SO4-2 = SO4-2 - -gamma 5.0 -0.04 - -Vm -7.77 43.17 176 -51.45 3.794 0 42.99 -541 -0.145 0.45 # with analytical_expressions for log K of NaSO4-, KSO4- & MgSO4, 0 - 200 oC - -viscosity -0.30 0.501 2.57e-3 0.195 3.14e-2 2.015 0.605 - -dw 1.07e-9 -114 17 6.02e-2 4.94e-2 + -gamma 5 -0.04 + -Vm -7.77 43.17 176 -51.45 3.794 0 42.99 -541 -0.145 0.45 # with analytical_expressions for log K of NaSO4-, KSO4- & MgSO4, 0 - 200 oC + -viscosity -0.3 0.501 2.57e-3 0.195 3.14e-2 2.015 0.605 + -dw 1.07e-9 -114 17 6.02e-2 4.94e-2 NO3- = NO3- - -gamma 3.0 0 - -Vm 6.32 6.78 0 -3.06 0.346 0 0.93 0 -0.012 1 - -viscosity 8.37e-2 -0.458 1.54e-2 0.340 1.79e-2 5.02e-2 0.7381 - -dw 1.90e-9 104 1.11 + -gamma 3 0 + -Vm 6.32 6.78 0 -3.06 0.346 0 0.93 0 -0.012 1 + -viscosity 8.37e-2 -0.458 1.54e-2 0.34 1.79e-2 5.02e-2 0.7381 + -dw 1.9e-9 104 1.11 AmmH+ = AmmH+ - -gamma 2.5 0 - -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 - -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 - -dw 1.98e-9 178 3.747 0 1.220 + -gamma 2.5 0 + -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 + -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 + -dw 1.98e-9 178 3.747 0 1.22 H3BO3 = H3BO3 - -Vm 7.0643 8.8547 3.5844 -3.1451 -0.20 # supcrt - -dw 1.1e-9 + -Vm 7.0643 8.8547 3.5844 -3.1451 -0.2 # supcrt + -dw 1.1e-9 PO4-3 = PO4-3 - -gamma 4.0 0 - -Vm 1.24 -9.07 9.31 -2.4 5.61 0 0 0 -1.41e-2 1 - -dw 0.612e-9 + -gamma 4 0 + -Vm 1.24 -9.07 9.31 -2.4 5.61 0 0 0 -1.41e-2 1 + -dw 0.612e-9 F- = F- - -gamma 3.5 0 - -Vm 0.928 1.36 6.27 -2.84 1.84 0 0 -0.318 0 1 - -viscosity 0 2.85e-2 1.35e-2 6.11e-2 4.38e-3 1.384 0.586 - -dw 1.46e-9 -36 4.352 + -gamma 3.5 0 + -Vm 0.928 1.36 6.27 -2.84 1.84 0 0 -0.318 0 1 + -viscosity 0 2.85e-2 1.35e-2 6.11e-2 4.38e-3 1.384 0.586 + -dw 1.46e-9 -36 4.352 Br- = Br- - -gamma 3.0 0 - -Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1 - -viscosity -1.15e-2 -5.75e-2 5.72e-2 1.46e-2 0.116 0.9295 0.820 - -dw 2.01e-9 139 2.94 0 1.304 + -gamma 3 0 + -Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1 + -viscosity -1.15e-2 -5.75e-2 5.72e-2 1.46e-2 0.116 0.9295 0.82 + -dw 2.01e-9 139 2.94 0 1.304 Zn+2 = Zn+2 - -gamma 5.0 0 - -Vm -1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11 - -dw 0.715e-9 + -gamma 5 0 + -Vm -1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11 + -dw 0.715e-9 Cd+2 = Cd+2 - -Vm 1.63 -10.7 1.01 -2.34 1.47 5 0 0 0 1 - -dw 0.717e-9 + -Vm 1.63 -10.7 1.01 -2.34 1.47 5 0 0 0 1 + -dw 0.717e-9 Pb+2 = Pb+2 - -Vm -0.0051 -7.7939 8.8134 -2.4568 1.0788 4.5 # supcrt - -dw 0.945e-9 + -Vm -0.0051 -7.7939 8.8134 -2.4568 1.0788 4.5 # supcrt + -dw 0.945e-9 Cu+2 = Cu+2 - -gamma 6.0 0 - -Vm -1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1 - -dw 0.733e-9 + -gamma 6 0 + -Vm -1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1 + -dw 0.733e-9 # redox-uncoupled gases Hdg = Hdg # H2 - -Vm 6.52 0.78 0.12 # supcrt - -dw 5.13e-9 + -Vm 6.52 0.78 0.12 # supcrt + -dw 5.13e-9 Oxg = Oxg # O2 - -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt - -dw 2.35e-9 + -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt + -dw 2.35e-9 Mtg = Mtg # CH4 - -Vm 9.01 -1.11 0 -1.85 -1.50 # Hnedkovsky et al., 1996, JCT 28, 125 - -dw 1.85e-9 + -Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 1.85e-9 Ntg = Ntg # N2 - -Vm 7 # Pray et al., 1952, IEC 44. 1146 - -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 + -Vm 7 # Pray et al., 1952, IEC 44 1146 + -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 H2Sg = H2Sg # H2S - -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 - -dw 2.1e-9 + -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 2.1e-9 # aqueous species H2O = OH- + H+ - -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 - -gamma 3.5 0 - -Vm -9.66 28.5 80.0 -22.9 1.89 0 1.09 0 0 1 - -viscosity -1.02e-1 0.189 9.4e-3 -4e-5 0 3.281 -2.053 # < 5 M Li,Na,KOH - -dw 5.27e-9 478 0.8695 + -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 + -gamma 3.5 0 + -Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1 + -viscosity -1.02e-1 0.189 9.4e-3 -4e-5 0 3.281 -2.053 # < 5 M Li,Na,KOH + -dw 5.27e-9 478 0.8695 2 H2O = O2 + 4 H+ + 4 e- - -log_k -86.08 + -log_k -86.08 -delta_h 134.79 kcal - -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt - -dw 2.35e-9 + -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt + -dw 2.35e-9 2 H+ + 2 e- = H2 - -log_k -3.15 + -log_k -3.15 -delta_h -1.759 kcal - -Vm 6.52 0.78 0.12 # supcrt - -dw 5.13e-9 + -Vm 6.52 0.78 0.12 # supcrt + -dw 5.13e-9 H+ + Cl- = HCl - -log_k -0.5 - -analytical_expression 0.334 -2.684e-3 1.015 # from Pitzer.dat, up to 15 M HCl, 0 - 50°C - -gamma 0 0.4256 - -viscosity 0.921 -0.765 8.32e-3 8.25e-4 2.53e-3 4.223 + -log_k -0.5 + -analytical_expression 0.334 -2.684e-3 1.015 # from Pitzer.dat, up to 15 M HCl, 0 - 50°C + -gamma 0 0.4256 + -viscosity 0.921 -0.765 8.32e-3 8.25e-4 2.53e-3 4.223 CO3-2 + H+ = HCO3- - -log_k 10.329; -delta_h -3.561 kcal - -analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9 - -gamma 5.4 0 - -Vm 10.26 -2.92 -12.58 -0.241 2.23 0 -5.49 320 2.83e-2 1.144 - -viscosity -0.6 1.366 -1.216e-2 0e-2 3.139e-2 -1.135 1.253 - -dw 1.18e-9 -190 11.386 + -log_k 10.329; -delta_h -3.561 kcal + -analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9 + -gamma 5.4 0 + -Vm 10.26 -2.92 -12.58 -0.241 2.23 0 -5.49 320 2.83e-2 1.144 + -viscosity -0.6 1.366 -1.216e-2 0e-2 3.139e-2 -1.135 1.253 + -dw 1.18e-9 -190 11.386 CO3-2 + 2 H+ = CO2 + H2O - -log_k 16.681 + -log_k 16.681 -delta_h -5.738 kcal - -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 - -Vm 7.29 0.92 2.07 -1.23 -1.60 # McBride et al. 2015, JCED 60, 171 - -gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431 - -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 -2CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T - -log_k -1.8 - -analytical_expression 8.68 -0.0103 -2190 - -Vm 14.58 1.84 4.14 -2.46 -3.20 - -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 + -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 + -Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171 + -gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431 + -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 +2 CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T + -log_k -1.8 + -analytical_expression 8.68 -0.0103 -2190 + -Vm 14.58 1.84 4.14 -2.46 -3.2 + -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O - -log_k 41.071 + -log_k 41.071 -delta_h -61.039 kcal - -Vm 9.01 -1.11 0 -1.85 -1.50 # Hnedkovsky et al., 1996, JCT 28, 125 - -dw 1.85e-9 + -Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 1.85e-9 SO4-2 + H+ = HSO4- - -log_k 1.988; -delta_h 3.85 kcal - -analytic -56.889 0.006473 2307.9 19.8858 - -Vm 8.2 9.2590 2.1108 -3.1618 1.1748 0 -0.3 15 0 1 - -viscosity 0.5 -6.97e-2 6.07e-2 1e-5 -0.1333 0.4865 0.7987 - -dw 1.22e-9 1000 15.0 2.861 + -log_k 1.988; -delta_h 3.85 kcal + -analytic -56.889 0.006473 2307.9 19.8858 + -Vm 8.2 9.259 2.1108 -3.1618 1.1748 0 -0.3 15 0 1 + -viscosity 0.5 -6.97e-2 6.07e-2 1e-5 -0.1333 0.4865 0.7987 + -dw 1.22e-9 1000 15 2.861 HS- = S-2 + H+ - -log_k -12.918 - -delta_h 12.1 kcal - -gamma 5.0 0 - -dw 0.731e-9 + -log_k -12.918 + -delta_h 12.1 kcal + -gamma 5 0 + -dw 0.731e-9 SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O - -log_k 33.65 - -delta_h -60.140 kcal - -gamma 3.5 0 - -Vm 5.0119 4.9799 3.4765 -2.9849 1.4410 # supcrt - -dw 1.73e-9 + -log_k 33.65 + -delta_h -60.14 kcal + -gamma 3.5 0 + -Vm 5.0119 4.9799 3.4765 -2.9849 1.441 # supcrt + -dw 1.73e-9 HS- + H+ = H2S - -log_k 6.994; -delta_h -5.30 kcal - -analytical -11.17 0.02386 3279.0 - -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 - -dw 2.1e-9 -2H2S = (H2S)2 # activity correction for H2S solubility at high P, T - -analytical_expression 10.227 -0.01384 -2200 - -Vm 36.41 -71.95 0 0 2.58 - -dw 2.1e-9 + -log_k 6.994; -delta_h -5.3 kcal + -analytical -11.17 0.02386 3279 + -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 2.1e-9 +2 H2S = (H2S)2 # activity correction for H2S solubility at high P, T + -analytical_expression 10.227 -0.01384 -2200 + -Vm 36.41 -71.95 0 0 2.58 + -dw 2.1e-9 H2Sg = HSg- + H+ - -log_k -6.994; -delta_h 5.30 kcal - -analytical_expression 11.17 -0.02386 -3279.0 - -gamma 3.5 0 - -Vm 5.0119 4.9799 3.4765 -2.9849 1.4410 # supcrt - -dw 1.73e-9 -2H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T - -analytical_expression 10.227 -0.01384 -2200 - -Vm 36.41 -71.95 0 0 2.58 - -dw 2.1e-9 + -log_k -6.994; -delta_h 5.3 kcal + -analytical_expression 11.17 -0.02386 -3279 + -gamma 3.5 0 + -Vm 5.0119 4.9799 3.4765 -2.9849 1.441 # supcrt + -dw 1.73e-9 +2 H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T + -analytical_expression 10.227 -0.01384 -2200 + -Vm 36.41 -71.95 0 0 2.58 + -dw 2.1e-9 NO3- + 2 H+ + 2 e- = NO2- + H2O - -log_k 28.570 - -delta_h -43.760 kcal - -gamma 3.0 0 - -Vm 5.5864 5.8590 3.4472 -3.0212 1.1847 # supcrt - -dw 1.91e-9 + -log_k 28.57 + -delta_h -43.76 kcal + -gamma 3 0 + -Vm 5.5864 5.859 3.4472 -3.0212 1.1847 # supcrt + -dw 1.91e-9 2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O - -log_k 207.08 - -delta_h -312.130 kcal - -Vm 7 # Pray et al., 1952, IEC 44. 1146 - -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 + -log_k 207.08 + -delta_h -312.13 kcal + -Vm 7 # Pray et al., 1952, IEC 44 1146 + -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 AmmH+ = Amm + H+ - -log_k -9.252 - -delta_h 12.48 kcal - -analytic 0.6322 -0.001225 -2835.76 - -Vm 6.69 2.8 3.58 -2.88 1.43 - -viscosity 0.08 0 0 7.82e-3 -0.134 -0.986 - -dw 2.28e-9 + -log_k -9.252 + -delta_h 12.48 kcal + -analytic 0.6322 -0.001225 -2835.76 + -Vm 6.69 2.8 3.58 -2.88 1.43 + -viscosity 0.08 0 0 7.82e-3 -0.134 -0.986 + -dw 2.28e-9 #NO3- + 10 H+ + 8 e- = AmmH+ + 3 H2O # -log_k 119.077 # -delta_h -187.055 kcal # -gamma 2.5 0 # -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 AmmH+ + SO4-2 = AmmHSO4- - -gamma 6.54 -0.08 - -log_k 1.106; -delta_h 4.30 kcal - -Vm -3.23 0 -68.42 0 -14.27 0 68.51 0 -0.4099 0.2339 - -viscosity 0.24 0 0 3.3e-3 -0.10 0.528 0.748 - -dw 1.35e-9 500 12.50 3.0 -1 + -gamma 6.54 -0.08 + -log_k 1.106; -delta_h 4.3 kcal + -Vm -3.23 0 -68.42 0 -14.27 0 68.51 0 -0.4099 0.2339 + -viscosity 0.24 0 0 3.3e-3 -0.1 0.528 0.748 + -dw 1.35e-9 500 12.5 3 -1 H3BO3 = H2BO3- + H+ - -log_k -9.24 - -delta_h 3.224 kcal + -log_k -9.24 + -delta_h 3.224 kcal H3BO3 + F- = BF(OH)3- - -log_k -0.4 - -delta_h 1.850 kcal + -log_k -0.4 + -delta_h 1.85 kcal H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O - -log_k 7.63 - -delta_h 1.618 kcal + -log_k 7.63 + -delta_h 1.618 kcal H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O - -log_k 13.67 + -log_k 13.67 -delta_h -1.614 kcal H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O - -log_k 20.28 + -log_k 20.28 -delta_h -1.846 kcal PO4-3 + H+ = HPO4-2 - -log_k 12.346 - -delta_h -3.530 kcal - -gamma 5.0 0 - -dw 0.69e-9 - -Vm 3.52 1.09 8.39 -2.82 3.34 0 0 0 0 1 + -log_k 12.346 + -delta_h -3.53 kcal + -gamma 5 0 + -dw 0.69e-9 + -Vm 3.52 1.09 8.39 -2.82 3.34 0 0 0 0 1 PO4-3 + 2 H+ = H2PO4- - -log_k 19.553 - -delta_h -4.520 kcal - -gamma 5.4 0 - -Vm 5.58 8.06 12.2 -3.11 1.3 0 0 0 1.62e-2 1 - -dw 0.846e-9 -PO4-3 + 3H+ = H3PO4 - log_k 21.721 # log_k and delta_h from minteq.v4.dat, NIST46.3 - delta_h -10.1 kJ - -Vm 7.47 12.4 6.29 -3.29 0 + -log_k 19.553 + -delta_h -4.52 kcal + -gamma 5.4 0 + -Vm 5.58 8.06 12.2 -3.11 1.3 0 0 0 1.62e-2 1 + -dw 0.846e-9 +PO4-3 + 3 H+ = H3PO4 + log_k 21.721 # log_k and delta_h from minteq.v4.dat, NIST46.3 + delta_h -10.1 kJ + -Vm 7.47 12.4 6.29 -3.29 0 H+ + F- = HF - -log_k 3.18 - -delta_h 3.18 kcal - -analytic -2.033 0.012645 429.01 - -Vm 3.4753 .7042 5.4732 -2.8081 -.0007 # supcrt + -log_k 3.18 + -delta_h 3.18 kcal + -analytic -2.033 0.012645 429.01 + -Vm 3.4753 .7042 5.4732 -2.8081 -.0007 # supcrt H+ + 2 F- = HF2- - -log_k 3.76 - -delta_h 4.550 kcal - -Vm 5.2263 4.9797 3.7928 -2.9849 1.2934 # supcrt + -log_k 3.76 + -delta_h 4.55 kcal + -Vm 5.2263 4.9797 3.7928 -2.9849 1.2934 # supcrt Ca+2 + H2O = CaOH+ + H+ - -log_k -12.78 + -log_k -12.78 Ca+2 + CO3-2 = CaCO3 - -log_k 3.224; -delta_h 3.545 kcal - -analytic -1228.732 -0.299440 35512.75 485.818 - -dw 4.46e-10 # complexes: calc'd with the Pikal formula - -Vm -.2430 -8.3748 9.0417 -2.4328 -.0300 # supcrt + -log_k 3.224; -delta_h 3.545 kcal + -analytic -1228.732 -0.29944 35512.75 485.818 + -dw 4.46e-10 # complexes: calc'd with the Pikal formula + -Vm -.243 -8.3748 9.0417 -2.4328 -.03 # supcrt Ca+2 + CO3-2 + H+ = CaHCO3+ - -log_k 10.91; -delta_h 4.38 kcal - -analytic -6.009 3.377e-2 2044 - -gamma 6.0 0 - -Vm 30.19 .010 5.75 -2.78 .308 5.4 - -dw 5.06e-10 + -log_k 10.91; -delta_h 4.38 kcal + -analytic -6.009 3.377e-2 2044 + -gamma 6 0 + -Vm 30.19 .01 5.75 -2.78 .308 5.4 + -dw 5.06e-10 Ca+2 + SO4-2 = CaSO4 - -log_k 2.25 - -delta_h 1.325 kcal + -log_k 2.25 + -delta_h 1.325 kcal -dw 4.71e-10 - -Vm 2.7910 -.9666 6.1300 -2.7390 -.0010 # supcrt + -Vm 2.791 -.9666 6.13 -2.739 -.001 # supcrt Ca+2 + HSO4- = CaHSO4+ - -log_k 1.08 + -log_k 1.08 Ca+2 + PO4-3 = CaPO4- - -log_k 6.459 - -delta_h 3.10 kcal - -gamma 5.4 0.0 + -log_k 6.459 + -delta_h 3.1 kcal + -gamma 5.4 0 Ca+2 + HPO4-2 = CaHPO4 - -log_k 2.739 + -log_k 2.739 -delta_h 3.3 kcal Ca+2 + H2PO4- = CaH2PO4+ - -log_k 1.408 + -log_k 1.408 -delta_h 3.4 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 # Ca+2 + F- = CaF+ # -log_k 0.94 # -delta_h 4.120 kcal # -gamma 5.5 0.0 # -Vm .9846 -5.3773 7.8635 -2.5567 .6911 5.5 # supcrt Mg+2 + H2O = MgOH+ + H+ - -log_k -11.44 + -log_k -11.44 -delta_h 15.952 kcal - -gamma 6.5 0 + -gamma 6.5 0 Mg+2 + CO3-2 = MgCO3 - -log_k 2.98 - -delta_h 2.713 kcal - -analytic 0.9910 0.00667 - -Vm -0.5837 -9.2067 9.3687 -2.3984 -.0300 # supcrt - -dw 4.21e-10 + -log_k 2.98 + -delta_h 2.713 kcal + -analytic 0.991 0.00667 + -Vm -0.5837 -9.2067 9.3687 -2.3984 -.03 # supcrt + -dw 4.21e-10 Mg+2 + H+ + CO3-2 = MgHCO3+ - -log_k 11.399 + -log_k 11.399 -delta_h -2.771 kcal - -analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9 - -gamma 4.0 0 - -Vm 2.7171 -1.1469 6.2008 -2.7316 .5985 4 # supcrt - -dw 4.78e-10 + -analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9 + -gamma 4 0 + -Vm 2.7171 -1.1469 6.2008 -2.7316 .5985 4 # supcrt + -dw 4.78e-10 Mg+2 + SO4-2 = MgSO4 - -gamma 0 0.20 - -log_k 2.42; -delta_h 19.0 kJ - -analytical_expression 0 9.64e-3 -136 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC - -Vm 8.65 -10.21 29.58 -18.60 1.061 - -viscosity 0.318 -5.4e-4 -3.42e-2 0.708 3.70e-3 0.696 - -dw 4.45e-10 + -gamma 0 0.2 + -log_k 2.42; -delta_h 19 kJ + -analytical_expression 0 9.64e-3 -136 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC + -Vm 8.65 -10.21 29.58 -18.6 1.061 + -viscosity 0.318 -5.4e-4 -3.42e-2 0.708 3.7e-3 0.696 + -dw 4.45e-10 SO4-2 + MgSO4 = Mg(SO4)2-2 - -gamma 7 0.047 - -log_k 0.52; -delta_h -13.6 kJ - -analytical_expression 0 -1.51e-3 0 0 8.604e4 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC - -Vm -8.14 -62.20 -15.96 3.29 -3.01 0 150 0 0.153 3.79e-2 - -viscosity -0.169 5e-4 -5.69e-2 0.110 2.03e-3 2.027 -1e-3 - -dw 0.845e-9 -200 8.0 0 0.965 + -gamma 7 0.047 + -log_k 0.52; -delta_h -13.6 kJ + -analytical_expression 0 -1.51e-3 0 0 8.604e4 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC + -Vm -8.14 -62.2 -15.96 3.29 -3.01 0 150 0 0.153 3.79e-2 + -viscosity -0.169 5e-4 -5.69e-2 0.11 2.03e-3 2.027 -1e-3 + -dw 0.845e-9 -200 8 0 0.965 Mg+2 + PO4-3 = MgPO4- - -log_k 6.589 - -delta_h 3.10 kcal - -gamma 5.4 0 + -log_k 6.589 + -delta_h 3.1 kcal + -gamma 5.4 0 Mg+2 + HPO4-2 = MgHPO4 - -log_k 2.87 + -log_k 2.87 -delta_h 3.3 kcal Mg+2 + H2PO4- = MgH2PO4+ - -log_k 1.513 + -log_k 1.513 -delta_h 3.4 kcal - -gamma 5.4 0 + -gamma 5.4 0 Mg+2 + F- = MgF+ - -log_k 1.82 - -delta_h 3.20 kcal - -gamma 4.5 0 - -Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt + -log_k 1.82 + -delta_h 3.2 kcal + -gamma 4.5 0 + -Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt Na+ + OH- = NaOH - -log_k -10 # remove this complex + -log_k -10 # remove this complex Na+ + HCO3- = NaHCO3 - -log_k -0.06; -delta_h 21 kJ - -gamma 0 0.2 - -Vm 7.95 0 0 0 0.609 - -viscosity -4e-2 -2.717 1.67e-5 - -dw 6.73e-10 + -log_k -0.06; -delta_h 21 kJ + -gamma 0 0.2 + -Vm 7.95 0 0 0 0.609 + -viscosity -4e-2 -2.717 1.67e-5 + -dw 6.73e-10 Na+ + SO4-2 = NaSO4- - -gamma 5.5 0 - -log_k 0.6; -delta_h -14.4 kJ - -analytical_expression 255.903 0.10057 0 -1.11138e2 -8.5983e5 # mirabilite/thenardite solubilities, 0 - 200 oC - -Vm 1.99 -10.78 21.88 -12.70 1.601 5 32.38 501 1.565e-2 0.2325 - -viscosity 0.20 -5.93e-2 -4.0e-4 8.46e-3 1.78e-3 2.308 -0.208 - -dw 1.13e-9 -23 8.50 0.392 0.521 + -gamma 5.5 0 + -log_k 0.6; -delta_h -14.4 kJ + -analytical_expression 255.903 0.10057 0 -1.11138e2 -8.5983e5 # mirabilite/thenardite solubilities, 0 - 200 oC + -Vm 1.99 -10.78 21.88 -12.7 1.601 5 32.38 501 1.565e-2 0.2325 + -viscosity 0.2 -5.93e-2 -4e-4 8.46e-3 1.78e-3 2.308 -0.208 + -dw 1.13e-9 -23 8.5 0.392 0.521 Na+ + HPO4-2 = NaHPO4- - -log_k 0.29 - -gamma 5.4 0 - -Vm 5.2 8.1 13 -3 0.9 0 0 1.62e-2 1 + -log_k 0.29 + -gamma 5.4 0 + -Vm 5.2 8.1 13 -3 0.9 0 0 1.62e-2 1 Na+ + F- = NaF - -log_k -0.24 - -Vm 2.7483 -1.0708 6.1709 -2.7347 -.030 # supcrt + -log_k -0.24 + -Vm 2.7483 -1.0708 6.1709 -2.7347 -.03 # supcrt K+ + HCO3- = KHCO3 - -log_k -0.35; -delta_h 12 kJ - -gamma 0 9.4e-3 - -Vm 9.48 0 0 0 -0.542 - -viscosity 0.7 -1.289 9e-2 + -log_k -0.35; -delta_h 12 kJ + -gamma 0 9.4e-3 + -Vm 9.48 0 0 0 -0.542 + -viscosity 0.7 -1.289 9e-2 K+ + SO4-2 = KSO4- - -gamma 5.4 0.19 - -log_k 0.6; -delta_h -10.4 kJ - -analytical_expression -3.0246 9.986e-3 0 0 1.093e5 # arcanite solubility, 0 - 200 oC - -Vm 13.48 -18.03 61.74 -19.60 2.046 5.4 -17.32 0 0.1522 1.919 - -viscosity -1.0 1.06 1e-4 -0.464 3.78e-2 0.539 -0.690 - -dw 0.90e-9 63 8.48 0 1.80 + -gamma 5.4 0.19 + -log_k 0.6; -delta_h -10.4 kJ + -analytical_expression -3.0246 9.986e-3 0 0 1.093e5 # arcanite solubility, 0 - 200 oC + -Vm 13.48 -18.03 61.74 -19.6 2.046 5.4 -17.32 0 0.1522 1.919 + -viscosity -1 1.06 1e-4 -0.464 3.78e-2 0.539 -0.69 + -dw 0.9e-9 63 8.48 0 1.8 K+ + HPO4-2 = KHPO4- - -log_k 0.29 - -gamma 5.4 0 - -Vm 5.4 8.1 19 -3.1 0.7 0 0 0 1.62e-2 1 + -log_k 0.29 + -gamma 5.4 0 + -Vm 5.4 8.1 19 -3.1 0.7 0 0 0 1.62e-2 1 Fe+2 + H2O = FeOH+ + H+ - -log_k -9.5 - -delta_h 13.20 kcal - -gamma 5.0 0 -Fe+2 + 3H2O = Fe(OH)3- + 3H+ - -log_k -31.0 + -log_k -9.5 + -delta_h 13.2 kcal + -gamma 5 0 +Fe+2 + 3 H2O = Fe(OH)3- + 3 H+ + -log_k -31 -delta_h 30.3 kcal - -gamma 5.0 0 + -gamma 5 0 Fe+2 + Cl- = FeCl+ - -log_k 0.14 + -log_k 0.14 Fe+2 + CO3-2 = FeCO3 - -log_k 4.38 + -log_k 4.38 Fe+2 + HCO3- = FeHCO3+ - -log_k 2.0 + -log_k 2 Fe+2 + SO4-2 = FeSO4 - -log_k 2.25 - -delta_h 3.230 kcal - -Vm -13 0 123 + -log_k 2.25 + -delta_h 3.23 kcal + -Vm -13 0 123 Fe+2 + HSO4- = FeHSO4+ - -log_k 1.08 -Fe+2 + 2HS- = Fe(HS)2 - -log_k 8.95 -Fe+2 + 3HS- = Fe(HS)3- - -log_k 10.987 + -log_k 1.08 +Fe+2 + 2 HS- = Fe(HS)2 + -log_k 8.95 +Fe+2 + 3 HS- = Fe(HS)3- + -log_k 10.987 Fe+2 + HPO4-2 = FeHPO4 - -log_k 3.6 + -log_k 3.6 Fe+2 + H2PO4- = FeH2PO4+ - -log_k 2.7 - -gamma 5.4 0 + -log_k 2.7 + -gamma 5.4 0 Fe+2 + F- = FeF+ - -log_k 1.0 + -log_k 1 Fe+2 = Fe+3 + e- - -log_k -13.02 - -delta_h 9.680 kcal - -gamma 9.0 0 + -log_k -13.02 + -delta_h 9.68 kcal + -gamma 9 0 Fe+3 + H2O = FeOH+2 + H+ - -log_k -2.19 - -delta_h 10.4 kcal - -gamma 5.0 0 + -log_k -2.19 + -delta_h 10.4 kcal + -gamma 5 0 Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+ - -log_k -5.67 - -delta_h 17.1 kcal - -gamma 5.4 0 + -log_k -5.67 + -delta_h 17.1 kcal + -gamma 5.4 0 Fe+3 + 3 H2O = Fe(OH)3 + 3 H+ - -log_k -12.56 - -delta_h 24.8 kcal + -log_k -12.56 + -delta_h 24.8 kcal Fe+3 + 4 H2O = Fe(OH)4- + 4 H+ - -log_k -21.6 - -delta_h 31.9 kcal - -gamma 5.4 0 -Fe+2 + 2H2O = Fe(OH)2 + 2H+ - -log_k -20.57 + -log_k -21.6 + -delta_h 31.9 kcal + -gamma 5.4 0 +Fe+2 + 2 H2O = Fe(OH)2 + 2 H+ + -log_k -20.57 -delta_h 28.565 kcal 2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+ - -log_k -2.95 - -delta_h 13.5 kcal + -log_k -2.95 + -delta_h 13.5 kcal 3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+ - -log_k -6.3 - -delta_h 14.3 kcal + -log_k -6.3 + -delta_h 14.3 kcal Fe+3 + Cl- = FeCl+2 - -log_k 1.48 - -delta_h 5.6 kcal - -gamma 5.0 0 + -log_k 1.48 + -delta_h 5.6 kcal + -gamma 5 0 Fe+3 + 2 Cl- = FeCl2+ - -log_k 2.13 - -gamma 5.0 0 + -log_k 2.13 + -gamma 5 0 Fe+3 + 3 Cl- = FeCl3 - -log_k 1.13 + -log_k 1.13 Fe+3 + SO4-2 = FeSO4+ - -log_k 4.04 - -delta_h 3.91 kcal - -gamma 5.0 0 + -log_k 4.04 + -delta_h 3.91 kcal + -gamma 5 0 Fe+3 + HSO4- = FeHSO4+2 - -log_k 2.48 + -log_k 2.48 Fe+3 + 2 SO4-2 = Fe(SO4)2- - -log_k 5.38 - -delta_h 4.60 kcal + -log_k 5.38 + -delta_h 4.6 kcal Fe+3 + HPO4-2 = FeHPO4+ - -log_k 5.43 - -delta_h 5.76 kcal - -gamma 5.0 0 + -log_k 5.43 + -delta_h 5.76 kcal + -gamma 5 0 Fe+3 + H2PO4- = FeH2PO4+2 - -log_k 5.43 - -gamma 5.4 0 + -log_k 5.43 + -gamma 5.4 0 Fe+3 + F- = FeF+2 - -log_k 6.2 - -delta_h 2.7 kcal - -gamma 5.0 0 + -log_k 6.2 + -delta_h 2.7 kcal + -gamma 5 0 Fe+3 + 2 F- = FeF2+ - -log_k 10.8 - -delta_h 4.8 kcal - -gamma 5.0 0 + -log_k 10.8 + -delta_h 4.8 kcal + -gamma 5 0 Fe+3 + 3 F- = FeF3 - -log_k 14.0 - -delta_h 5.4 kcal + -log_k 14 + -delta_h 5.4 kcal Mn+2 + H2O = MnOH+ + H+ - -log_k -10.59 - -delta_h 14.40 kcal - -gamma 5.0 0 -Mn+2 + 3H2O = Mn(OH)3- + 3H+ - -log_k -34.8 - -gamma 5.0 0 + -log_k -10.59 + -delta_h 14.4 kcal + -gamma 5 0 +Mn+2 + 3 H2O = Mn(OH)3- + 3 H+ + -log_k -34.8 + -gamma 5 0 Mn+2 + Cl- = MnCl+ - -log_k 0.61 - -gamma 5.0 0 - -Vm 7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1 + -log_k 0.61 + -gamma 5 0 + -Vm 7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1 Mn+2 + 2 Cl- = MnCl2 - -log_k 0.25 - -Vm 1e-5 0 144 + -log_k 0.25 + -Vm 1e-5 0 144 Mn+2 + 3 Cl- = MnCl3- - -log_k -0.31 - -gamma 5.0 0 - -Vm 11.8 0 0 0 2.4 0 0 0 3.6e-2 1 + -log_k -0.31 + -gamma 5 0 + -Vm 11.8 0 0 0 2.4 0 0 0 3.6e-2 1 Mn+2 + CO3-2 = MnCO3 - -log_k 4.9 + -log_k 4.9 Mn+2 + HCO3- = MnHCO3+ - -log_k 1.95 - -gamma 5.0 0 + -log_k 1.95 + -gamma 5 0 Mn+2 + SO4-2 = MnSO4 - -log_k 2.25 - -delta_h 3.370 kcal - -Vm -1.31 -1.83 62.3 -2.7 + -log_k 2.25 + -delta_h 3.37 kcal + -Vm -1.31 -1.83 62.3 -2.7 Mn+2 + 2 NO3- = Mn(NO3)2 - -log_k 0.6 + -log_k 0.6 -delta_h -0.396 kcal - -Vm 6.16 0 29.4 0 0.9 + -Vm 6.16 0 29.4 0 0.9 Mn+2 + F- = MnF+ - -log_k 0.84 - -gamma 5.0 0 + -log_k 0.84 + -gamma 5 0 Mn+2 = Mn+3 + e- - -log_k -25.51 - -delta_h 25.80 kcal - -gamma 9.0 0 + -log_k -25.51 + -delta_h 25.8 kcal + -gamma 9 0 Al+3 + H2O = AlOH+2 + H+ - -log_k -5.0 - -delta_h 11.49 kcal - -analytic -38.253 0.0 -656.27 14.327 - -gamma 5.4 0 - -Vm -1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # Barta and Hepler, 1986, Can. J. Chem. 64, 353. + -log_k -5 + -delta_h 11.49 kcal + -analytic -38.253 0 -656.27 14.327 + -gamma 5.4 0 + -Vm -1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # Barta and Hepler, 1986, Can. J. Chem. 64, 353 Al+3 + 2 H2O = Al(OH)2+ + 2 H+ - -log_k -10.1 - -delta_h 26.90 kcal - -gamma 5.4 0 - -analytic 88.50 0.0 -9391.6 -27.121 + -log_k -10.1 + -delta_h 26.9 kcal + -gamma 5.4 0 + -analytic 88.5 0 -9391.6 -27.121 Al+3 + 3 H2O = Al(OH)3 + 3 H+ - -log_k -16.9 - -delta_h 39.89 kcal - -analytic 226.374 0.0 -18247.8 -73.597 + -log_k -16.9 + -delta_h 39.89 kcal + -analytic 226.374 0 -18247.8 -73.597 Al+3 + 4 H2O = Al(OH)4- + 4 H+ - -log_k -22.7 - -delta_h 42.30 kcal - -analytic 51.578 0.0 -11168.9 -14.865 - -gamma 4.5 0 + -log_k -22.7 + -delta_h 42.3 kcal + -analytic 51.578 0 -11168.9 -14.865 + -gamma 4.5 0 -dw 1.04e-9 # Mackin & Aller, 1983, GCA 47, 959 Al+3 + SO4-2 = AlSO4+ - -log_k 3.5 + -log_k 3.5 -delta_h 2.29 kcal - -gamma 4.5 0 -Al+3 + 2SO4-2 = Al(SO4)2- - -log_k 5.0 + -gamma 4.5 0 +Al+3 + 2 SO4-2 = Al(SO4)2- + -log_k 5 -delta_h 3.11 kcal - -gamma 4.5 0 + -gamma 4.5 0 Al+3 + HSO4- = AlHSO4+2 - -log_k 0.46 + -log_k 0.46 Al+3 + F- = AlF+2 - -log_k 7.0 - -delta_h 1.060 kcal - -gamma 5.4 0 + -log_k 7 + -delta_h 1.06 kcal + -gamma 5.4 0 Al+3 + 2 F- = AlF2+ - -log_k 12.7 - -delta_h 1.980 kcal - -gamma 5.4 0 + -log_k 12.7 + -delta_h 1.98 kcal + -gamma 5.4 0 Al+3 + 3 F- = AlF3 - -log_k 16.8 - -delta_h 2.160 kcal + -log_k 16.8 + -delta_h 2.16 kcal Al+3 + 4 F- = AlF4- - -log_k 19.4 - -delta_h 2.20 kcal - -gamma 4.5 0 + -log_k 19.4 + -delta_h 2.2 kcal + -gamma 4.5 0 # Al+3 + 5 F- = AlF5-2 # log_k 20.6 # delta_h 1.840 kcal @@ -662,679 +665,679 @@ Al+3 + 4 F- = AlF4- # log_k 20.6 # delta_h -1.670 kcal H4SiO4 = H3SiO4- + H+ - -log_k -9.83 - -delta_h 6.12 kcal - -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669.0 - -gamma 4 0 - -Vm 7.94 1.0881 5.3224 -2.8240 1.4767 # supcrt + H2O in a1 + -log_k -9.83 + -delta_h 6.12 kcal + -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669 + -gamma 4 0 + -Vm 7.94 1.0881 5.3224 -2.824 1.4767 # supcrt H2O in a1 H4SiO4 = H2SiO4-2 + 2 H+ - -log_k -23.0 - -delta_h 17.6 kcal - -analytic -294.0184 -0.072650 11204.49 108.18466 -1119669.0 - -gamma 5.4 0 + -log_k -23 + -delta_h 17.6 kcal + -analytic -294.0184 -0.07265 11204.49 108.18466 -1119669 + -gamma 5.4 0 H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O - -log_k 30.18 - -delta_h -16.260 kcal - -gamma 5.0 0 - -Vm 8.5311 13.0492 .6211 -3.3185 2.7716 # supcrt + -log_k 30.18 + -delta_h -16.26 kcal + -gamma 5 0 + -Vm 8.5311 13.0492 .6211 -3.3185 2.7716 # supcrt Ba+2 + H2O = BaOH+ + H+ - -log_k -13.47 - -gamma 5.0 0 + -log_k -13.47 + -gamma 5 0 Ba+2 + CO3-2 = BaCO3 - -log_k 2.71 - -delta_h 3.55 kcal - -analytic 0.113 0.008721 - -Vm .2907 -7.0717 8.5295 -2.4867 -.0300 # supcrt + -log_k 2.71 + -delta_h 3.55 kcal + -analytic 0.113 0.008721 + -Vm .2907 -7.0717 8.5295 -2.4867 -.03 # supcrt Ba+2 + HCO3- = BaHCO3+ - -log_k 0.982 + -log_k 0.982 -delta_h 5.56 kcal - -analytic -3.0938 0.013669 + -analytic -3.0938 0.013669 Ba+2 + SO4-2 = BaSO4 - -log_k 2.7 + -log_k 2.7 Sr+2 + H2O = SrOH+ + H+ - -log_k -13.29 - -gamma 5.0 0 + -log_k -13.29 + -gamma 5 0 Sr+2 + CO3-2 + H+ = SrHCO3+ - -log_k 11.509 - -delta_h 2.489 kcal - -analytic 104.6391 0.04739549 -5151.79 -38.92561 563713.9 - -gamma 5.4 0 + -log_k 11.509 + -delta_h 2.489 kcal + -analytic 104.6391 0.04739549 -5151.79 -38.92561 563713.9 + -gamma 5.4 0 Sr+2 + CO3-2 = SrCO3 - -log_k 2.81 - -delta_h 5.22 kcal - -analytic -1.019 0.012826 - -Vm -.1787 -8.2177 8.9799 -2.4393 -.0300 # supcrt + -log_k 2.81 + -delta_h 5.22 kcal + -analytic -1.019 0.012826 + -Vm -.1787 -8.2177 8.9799 -2.4393 -.03 # supcrt Sr+2 + SO4-2 = SrSO4 - -log_k 2.29 - -delta_h 2.08 kcal - -Vm 6.7910 -.9666 6.1300 -2.7390 -.0010 # celestite solubility + -log_k 2.29 + -delta_h 2.08 kcal + -Vm 6.791 -.9666 6.13 -2.739 -.001 # celestite solubility Li+ + SO4-2 = LiSO4- - -log_k 0.64 - -gamma 5.0 0 + -log_k 0.64 + -gamma 5 0 Cu+2 + e- = Cu+ - -log_k 2.72 - -delta_h 1.65 kcal - -gamma 2.5 0 -Cu+ + 2Cl- = CuCl2- - -log_k 5.50 + -log_k 2.72 + -delta_h 1.65 kcal + -gamma 2.5 0 +Cu+ + 2 Cl- = CuCl2- + -log_k 5.5 -delta_h -0.42 kcal - -gamma 4.0 0 -Cu+ + 3Cl- = CuCl3-2 - -log_k 5.70 + -gamma 4 0 +Cu+ + 3 Cl- = CuCl3-2 + -log_k 5.7 -delta_h 0.26 kcal - -gamma 5.0 0.0 + -gamma 5 0 Cu+2 + CO3-2 = CuCO3 - -log_k 6.73 -Cu+2 + 2CO3-2 = Cu(CO3)2-2 - -log_k 9.83 + -log_k 6.73 +Cu+2 + 2 CO3-2 = Cu(CO3)2-2 + -log_k 9.83 Cu+2 + HCO3- = CuHCO3+ - -log_k 2.7 + -log_k 2.7 Cu+2 + Cl- = CuCl+ - -log_k 0.43 + -log_k 0.43 -delta_h 8.65 kcal - -gamma 4.0 0 - -Vm -4.19 0 30.4 0 0 4 0 0 1.94e-2 1 -Cu+2 + 2Cl- = CuCl2 - -log_k 0.16 + -gamma 4 0 + -Vm -4.19 0 30.4 0 0 4 0 0 1.94e-2 1 +Cu+2 + 2 Cl- = CuCl2 + -log_k 0.16 -delta_h 10.56 kcal - -Vm 26.8 0 -136 -Cu+2 + 3Cl- = CuCl3- - -log_k -2.29 + -Vm 26.8 0 -136 +Cu+2 + 3 Cl- = CuCl3- + -log_k -2.29 -delta_h 13.69 kcal - -gamma 4.0 0 -Cu+2 + 4Cl- = CuCl4-2 - -log_k -4.59 + -gamma 4 0 +Cu+2 + 4 Cl- = CuCl4-2 + -log_k -4.59 -delta_h 17.78 kcal - -gamma 5.0 0 + -gamma 5 0 Cu+2 + F- = CuF+ - -log_k 1.26 + -log_k 1.26 -delta_h 1.62 kcal Cu+2 + H2O = CuOH+ + H+ - -log_k -8.0 - -gamma 4.0 0 + -log_k -8 + -gamma 4 0 Cu+2 + 2 H2O = Cu(OH)2 + 2 H+ - -log_k -13.68 + -log_k -13.68 Cu+2 + 3 H2O = Cu(OH)3- + 3 H+ - -log_k -26.9 + -log_k -26.9 Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+ - -log_k -39.6 -2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+ - -log_k -10.359 + -log_k -39.6 +2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+ + -log_k -10.359 -delta_h 17.539 kcal - -analytical 2.497 0.0 -3833.0 + -analytical 2.497 0 -3833 Cu+2 + SO4-2 = CuSO4 - -log_k 2.31 - -delta_h 1.220 kcal - -Vm 5.21 0 -14.6 -Cu+2 + 3HS- = Cu(HS)3- - -log_k 25.9 + -log_k 2.31 + -delta_h 1.22 kcal + -Vm 5.21 0 -14.6 +Cu+2 + 3 HS- = Cu(HS)3- + -log_k 25.9 Zn+2 + H2O = ZnOH+ + H+ - -log_k -8.96 + -log_k -8.96 -delta_h 13.4 kcal Zn+2 + 2 H2O = Zn(OH)2 + 2 H+ - -log_k -16.9 + -log_k -16.9 Zn+2 + 3 H2O = Zn(OH)3- + 3 H+ - -log_k -28.4 + -log_k -28.4 Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+ - -log_k -41.2 + -log_k -41.2 Zn+2 + Cl- = ZnCl+ - -log_k 0.43 + -log_k 0.43 -delta_h 7.79 kcal - -gamma 4.0 0 - -Vm 14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1 + -gamma 4 0 + -Vm 14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1 Zn+2 + 2 Cl- = ZnCl2 - -log_k 0.45 + -log_k 0.45 -delta_h 8.5 kcal - -Vm -10.1 4.57 241 -2.97 -1e-3 -Zn+2 + 3Cl- = ZnCl3- - -log_k 0.5 + -Vm -10.1 4.57 241 -2.97 -1e-3 +Zn+2 + 3 Cl- = ZnCl3- + -log_k 0.5 -delta_h 9.56 kcal - -gamma 4.0 0 - -Vm 0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1 -Zn+2 + 4Cl- = ZnCl4-2 - -log_k 0.2 + -gamma 4 0 + -Vm 0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1 +Zn+2 + 4 Cl- = ZnCl4-2 + -log_k 0.2 -delta_h 10.96 kcal - -gamma 5.0 0 - -Vm 28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1 + -gamma 5 0 + -Vm 28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1 Zn+2 + H2O + Cl- = ZnOHCl + H+ - -log_k -7.48 -Zn+2 + 2HS- = Zn(HS)2 - -log_k 14.94 -Zn+2 + 3HS- = Zn(HS)3- - -log_k 16.1 + -log_k -7.48 +Zn+2 + 2 HS- = Zn(HS)2 + -log_k 14.94 +Zn+2 + 3 HS- = Zn(HS)3- + -log_k 16.1 Zn+2 + CO3-2 = ZnCO3 - -log_k 5.3 -Zn+2 + 2CO3-2 = Zn(CO3)2-2 - -log_k 9.63 + -log_k 5.3 +Zn+2 + 2 CO3-2 = Zn(CO3)2-2 + -log_k 9.63 Zn+2 + HCO3- = ZnHCO3+ - -log_k 2.1 + -log_k 2.1 Zn+2 + SO4-2 = ZnSO4 - -log_k 2.37 + -log_k 2.37 -delta_h 1.36 kcal - -Vm 2.51 0 18.8 -Zn+2 + 2SO4-2 = Zn(SO4)2-2 - -log_k 3.28 - -Vm 10.9 0 -98.7 0 0 0 24 0 -0.236 1 + -Vm 2.51 0 18.8 +Zn+2 + 2 SO4-2 = Zn(SO4)2-2 + -log_k 3.28 + -Vm 10.9 0 -98.7 0 0 0 24 0 -0.236 1 Zn+2 + Br- = ZnBr+ - -log_k -0.58 -Zn+2 + 2Br- = ZnBr2 - -log_k -0.98 + -log_k -0.58 +Zn+2 + 2 Br- = ZnBr2 + -log_k -0.98 Zn+2 + F- = ZnF+ - -log_k 1.15 + -log_k 1.15 -delta_h 2.22 kcal Cd+2 + H2O = CdOH+ + H+ - -log_k -10.08 + -log_k -10.08 -delta_h 13.1 kcal Cd+2 + 2 H2O = Cd(OH)2 + 2 H+ - -log_k -20.35 + -log_k -20.35 Cd+2 + 3 H2O = Cd(OH)3- + 3 H+ - -log_k -33.3 + -log_k -33.3 Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+ - -log_k -47.35 -2Cd+2 + H2O = Cd2OH+3 + H+ - -log_k -9.39 + -log_k -47.35 +2 Cd+2 + H2O = Cd2OH+3 + H+ + -log_k -9.39 -delta_h 10.9 kcal Cd+2 + H2O + Cl- = CdOHCl + H+ - -log_k -7.404 + -log_k -7.404 -delta_h 4.355 kcal Cd+2 + NO3- = CdNO3+ - -log_k 0.4 + -log_k 0.4 -delta_h -5.2 kcal - -Vm 5.95 0 -1.11 0 2.67 7 0 0 1.53e-2 1 + -Vm 5.95 0 -1.11 0 2.67 7 0 0 1.53e-2 1 Cd+2 + Cl- = CdCl+ - -log_k 1.98 + -log_k 1.98 -delta_h 0.59 kcal - -Vm 5.69 0 -30.2 0 0 6 0 0 0.112 1 + -Vm 5.69 0 -30.2 0 0 6 0 0 0.112 1 Cd+2 + 2 Cl- = CdCl2 - -log_k 2.6 + -log_k 2.6 -delta_h 1.24 kcal - -Vm 5.53 + -Vm 5.53 Cd+2 + 3 Cl- = CdCl3- - -log_k 2.4 + -log_k 2.4 -delta_h 3.9 kcal - -Vm 4.6 0 83.9 0 0 0 0 0 0 1 + -Vm 4.6 0 83.9 0 0 0 0 0 0 1 Cd+2 + CO3-2 = CdCO3 - -log_k 2.9 -Cd+2 + 2CO3-2 = Cd(CO3)2-2 - -log_k 6.4 + -log_k 2.9 +Cd+2 + 2 CO3-2 = Cd(CO3)2-2 + -log_k 6.4 Cd+2 + HCO3- = CdHCO3+ - -log_k 1.5 + -log_k 1.5 Cd+2 + SO4-2 = CdSO4 - -log_k 2.46 + -log_k 2.46 -delta_h 1.08 kcal - -Vm 10.4 0 57.9 -Cd+2 + 2SO4-2 = Cd(SO4)2-2 - -log_k 3.5 - -Vm -6.29 0 -93 0 9.5 7 0 0 0 1 + -Vm 10.4 0 57.9 +Cd+2 + 2 SO4-2 = Cd(SO4)2-2 + -log_k 3.5 + -Vm -6.29 0 -93 0 9.5 7 0 0 0 1 Cd+2 + Br- = CdBr+ - -log_k 2.17 + -log_k 2.17 -delta_h -0.81 kcal -Cd+2 + 2Br- = CdBr2 - -log_k 2.9 +Cd+2 + 2 Br- = CdBr2 + -log_k 2.9 Cd+2 + F- = CdF+ - -log_k 1.1 -Cd+2 + 2F- = CdF2 - -log_k 1.5 + -log_k 1.1 +Cd+2 + 2 F- = CdF2 + -log_k 1.5 Cd+2 + HS- = CdHS+ - -log_k 10.17 -Cd+2 + 2HS- = Cd(HS)2 - -log_k 16.53 -Cd+2 + 3HS- = Cd(HS)3- - -log_k 18.71 -Cd+2 + 4HS- = Cd(HS)4-2 - -log_k 20.9 + -log_k 10.17 +Cd+2 + 2 HS- = Cd(HS)2 + -log_k 16.53 +Cd+2 + 3 HS- = Cd(HS)3- + -log_k 18.71 +Cd+2 + 4 HS- = Cd(HS)4-2 + -log_k 20.9 Pb+2 + H2O = PbOH+ + H+ - -log_k -7.71 + -log_k -7.71 Pb+2 + 2 H2O = Pb(OH)2 + 2 H+ - -log_k -17.12 + -log_k -17.12 Pb+2 + 3 H2O = Pb(OH)3- + 3 H+ - -log_k -28.06 + -log_k -28.06 Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+ - -log_k -39.7 + -log_k -39.7 2 Pb+2 + H2O = Pb2OH+3 + H+ - -log_k -6.36 + -log_k -6.36 Pb+2 + Cl- = PbCl+ - -log_k 1.6 + -log_k 1.6 -delta_h 4.38 kcal - -Vm 2.8934 -.7165 6.0316 -2.7494 .1281 6 # supcrt + -Vm 2.8934 -.7165 6.0316 -2.7494 .1281 6 # supcrt Pb+2 + 2 Cl- = PbCl2 - -log_k 1.8 + -log_k 1.8 -delta_h 1.08 kcal - -Vm 6.5402 8.1879 2.5318 -3.1175 -.0300 # supcrt + -Vm 6.5402 8.1879 2.5318 -3.1175 -.03 # supcrt Pb+2 + 3 Cl- = PbCl3- - -log_k 1.7 + -log_k 1.7 -delta_h 2.17 kcal - -Vm 11.0396 19.1743 -1.7863 -3.5717 .7356 # supcrt + -Vm 11.0396 19.1743 -1.7863 -3.5717 .7356 # supcrt Pb+2 + 4 Cl- = PbCl4-2 - -log_k 1.38 + -log_k 1.38 -delta_h 3.53 kcal - -Vm 16.4150 32.2997 -6.9452 -4.1143 2.3118 # supcrt + -Vm 16.415 32.2997 -6.9452 -4.1143 2.3118 # supcrt Pb+2 + CO3-2 = PbCO3 - -log_k 7.24 + -log_k 7.24 Pb+2 + 2 CO3-2 = Pb(CO3)2-2 - -log_k 10.64 + -log_k 10.64 Pb+2 + HCO3- = PbHCO3+ - -log_k 2.9 + -log_k 2.9 Pb+2 + SO4-2 = PbSO4 - -log_k 2.75 + -log_k 2.75 Pb+2 + 2 SO4-2 = Pb(SO4)2-2 - -log_k 3.47 -Pb+2 + 2HS- = Pb(HS)2 - -log_k 15.27 -Pb+2 + 3HS- = Pb(HS)3- - -log_k 16.57 -3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+ - -log_k -23.88 + -log_k 3.47 +Pb+2 + 2 HS- = Pb(HS)2 + -log_k 15.27 +Pb+2 + 3 HS- = Pb(HS)3- + -log_k 16.57 +3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+ + -log_k -23.88 -delta_h 26.5 kcal Pb+2 + NO3- = PbNO3+ - -log_k 1.17 + -log_k 1.17 Pb+2 + Br- = PbBr+ - -log_k 1.77 + -log_k 1.77 -delta_h 2.88 kcal -Pb+2 + 2Br- = PbBr2 - -log_k 1.44 +Pb+2 + 2 Br- = PbBr2 + -log_k 1.44 Pb+2 + F- = PbF+ - -log_k 1.25 -Pb+2 + 2F- = PbF2 - -log_k 2.56 -Pb+2 + 3F- = PbF3- - -log_k 3.42 -Pb+2 + 4F- = PbF4-2 - -log_k 3.1 + -log_k 1.25 +Pb+2 + 2 F- = PbF2 + -log_k 2.56 +Pb+2 + 3 F- = PbF3- + -log_k 3.42 +Pb+2 + 4 F- = PbF4-2 + -log_k 3.1 PHASES Calcite CaCO3 = CO3-2 + Ca+2 - -log_k -8.48 + -log_k -8.48 -delta_h -2.297 kcal - -analytic 17.118 -0.046528 -3496 # 0 - 250°C, Ellis, 1959, Plummer and Busenberg, 1982 + -analytic 17.118 -0.046528 -3496 # 0 - 250°C, Ellis, 1959, Plummer and Busenberg, 1982 -Vm 36.9 cm3/mol # MW (100.09 g/mol) / rho (2.71 g/cm3) Aragonite CaCO3 = CO3-2 + Ca+2 - -log_k -8.336 + -log_k -8.336 -delta_h -2.589 kcal - -analytic -171.9773 -0.077993 2903.293 71.595 + -analytic -171.9773 -0.077993 2903.293 71.595 -Vm 34.04 Dolomite CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 - -log_k -17.09 - -delta_h -9.436 kcal - -analytic 31.283 -0.0898 -6438 # 25°C: Hemingway and Robie, 1994; 50–175°C: Bénézeth et al., 2018, GCA 224, 262-275. + -log_k -17.09 + -delta_h -9.436 kcal + -analytic 31.283 -0.0898 -6438 # 25°C: Hemingway and Robie, 1994; 50–175°C: Bénézeth et al., 2018, GCA 224, 262-275 -Vm 64.5 Siderite FeCO3 = Fe+2 + CO3-2 - -log_k -10.89 - -delta_h -2.480 kcal + -log_k -10.89 + -delta_h -2.48 kcal -Vm 29.2 Rhodochrosite MnCO3 = Mn+2 + CO3-2 - -log_k -11.13 - -delta_h -1.430 kcal + -log_k -11.13 + -delta_h -1.43 kcal -Vm 31.1 Strontianite SrCO3 = Sr+2 + CO3-2 - -log_k -9.271 - -delta_h -0.400 kcal - -analytic 155.0305 0.0 -7239.594 -56.58638 + -log_k -9.271 + -delta_h -0.4 kcal + -analytic 155.0305 0 -7239.594 -56.58638 -Vm 39.69 Witherite BaCO3 = Ba+2 + CO3-2 - -log_k -8.562 - -delta_h 0.703 kcal - -analytic 607.642 0.121098 -20011.25 -236.4948 + -log_k -8.562 + -delta_h 0.703 kcal + -analytic 607.642 0.121098 -20011.25 -236.4948 -Vm 46 Gypsum CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O - -log_k -4.58 + -log_k -4.58 -delta_h -0.109 kcal - -analytic 68.2401 0.0 -3221.51 -25.0627 - -analytical_expression 93.7 5.99E-03 -4e3 -35.019 # better fits the appendix data of Appelo, 2015, AG 55, 62 - -Vm 73.9 # 172.18 / 2.33 (Vm H2O = 13.9 cm3/mol) + -analytic 68.2401 0 -3221.51 -25.0627 + -analytical_expression 93.7 5.99E-3 -4e3 -35.019 # better fits the appendix data of Appelo, 2015, AG 55, 62 + -Vm 73.9 # 172.18 / 2.33 (Vm H2O = 13.9 cm3/mol) Anhydrite CaSO4 = Ca+2 + SO4-2 - -log_k -4.36 - -delta_h -1.710 kcal - -analytic 84.90 0 -3135.12 -31.79 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323. + -log_k -4.36 + -delta_h -1.71 kcal + -analytic 84.9 0 -3135.12 -31.79 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323 -Vm 46.1 # 136.14 / 2.95 Celestite SrSO4 = Sr+2 + SO4-2 - -log_k -6.63 + -log_k -6.63 -delta_h -4.037 kcal # -analytic -14805.9622 -2.4660924 756968.533 5436.3588 -40553604.0 - -analytic -7.14 6.11e-3 75 0 0 -1.79e-5 # Howell et al., 1992, JCED 37, 464. + -analytic -7.14 6.11e-3 75 0 0 -1.79e-5 # Howell et al., 1992, JCED 37, 464 -Vm 46.4 Barite BaSO4 = Ba+2 + SO4-2 - -log_k -9.97 - -delta_h 6.35 kcal - -analytical_expression -282.43 -8.972e-2 5822 113.08 # Blount 1977; Templeton, 1960 + -log_k -9.97 + -delta_h 6.35 kcal + -analytical_expression -282.43 -8.972e-2 5822 113.08 # Blount 1977; Templeton, 1960 -Vm 52.9 Arcanite - K2SO4 = SO4-2 + 2 K+ - log_k -1.776; -delta_h 5 kcal - -analytical_expression 674.142 0.30423 -18037 -280.236 0 -1.44055e-4 # ref. 3 + K2SO4 = SO4-2 + 2 K+ + log_k -1.776; -delta_h 5 kcal + -analytical_expression 674.142 0.30423 -18037 -280.236 0 -1.44055e-4 # ref. 3 # Note, the Linke and Seidell data may give subsaturation in other xpt's, SI = -0.06 -Vm 65.5 Mirabilite - Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O - -analytical_expression -301.9326 -0.16232 0 141.078 # ref. 3 + Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O + -analytical_expression -301.9326 -0.16232 0 141.078 # ref. 3 Vm 216 Thenardite Na2SO4 = 2 Na+ + SO4-2 - -analytical_expression 57.185 8.6024e-2 0 -30.8341 0 -7.6905e-5 # ref. 3 + -analytical_expression 57.185 8.6024e-2 0 -30.8341 0 -7.6905e-5 # ref. 3 -Vm 52.9 Epsomite - MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O - log_k -1.74; -delta_h 10.57 kJ - -analytical_expression -3.59 6.21e-3 + MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O + log_k -1.74; -delta_h 10.57 kJ + -analytical_expression -3.59 6.21e-3 Vm 147 Hexahydrite - MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O - log_k -1.57; -delta_h 2.35 kJ - -analytical_expression -1.978 1.38e-3 + MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O + log_k -1.57; -delta_h 2.35 kJ + -analytical_expression -1.978 1.38e-3 Vm 132 Kieserite - MgSO4:H2O = Mg+2 + SO4-2 + H2O - log_k -1.16; -delta_h 9.22 kJ - -analytical_expression 29.485 -5.07e-2 0 -2.662 -7.95e5 + MgSO4:H2O = Mg+2 + SO4-2 + H2O + log_k -1.16; -delta_h 9.22 kJ + -analytical_expression 29.485 -5.07e-2 0 -2.662 -7.95e5 Vm 53.8 Hydroxyapatite Ca5(PO4)3OH + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2 - -log_k -3.421 + -log_k -3.421 -delta_h -36.155 kcal -Vm 128.9 Fluorite CaF2 = Ca+2 + 2 F- - -log_k -10.6 - -delta_h 4.69 kcal - -analytic 66.348 0.0 -4298.2 -25.271 + -log_k -10.6 + -delta_h 4.69 kcal + -analytic 66.348 0 -4298.2 -25.271 -Vm 15.7 SiO2(a) SiO2 + 2 H2O = H4SiO4 - -log_k -2.71 - -delta_h 3.340 kcal - -analytic -0.26 0.0 -731.0 + -log_k -2.71 + -delta_h 3.34 kcal + -analytic -0.26 0 -731 Chalcedony SiO2 + 2 H2O = H4SiO4 - -log_k -3.55 - -delta_h 4.720 kcal - -analytic -0.09 0.0 -1032.0 + -log_k -3.55 + -delta_h 4.72 kcal + -analytic -0.09 0 -1032 -Vm 23.1 Quartz SiO2 + 2 H2O = H4SiO4 - -log_k -3.98 - -delta_h 5.990 kcal - -analytic 0.41 0.0 -1309.0 + -log_k -3.98 + -delta_h 5.99 kcal + -analytic 0.41 0 -1309 -Vm 22.67 Gibbsite Al(OH)3 + 3 H+ = Al+3 + 3 H2O - -log_k 8.11 - -delta_h -22.800 kcal + -log_k 8.11 + -delta_h -22.8 kcal -Vm 32.22 Al(OH)3(a) Al(OH)3 + 3 H+ = Al+3 + 3 H2O - -log_k 10.8 - -delta_h -26.500 kcal + -log_k 10.8 + -delta_h -26.5 kcal Kaolinite Al2Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 2 Al+3 - -log_k 7.435 - -delta_h -35.300 kcal + -log_k 7.435 + -delta_h -35.3 kcal -Vm 99.35 Albite NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4 - -log_k -18.002 + -log_k -18.002 -delta_h 25.896 kcal -Vm 101.31 Anorthite CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4 - -log_k -19.714 - -delta_h 11.580 kcal + -log_k -19.714 + -delta_h 11.58 kcal -Vm 105.05 K-feldspar KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4 - -log_k -20.573 - -delta_h 30.820 kcal + -log_k -20.573 + -delta_h 30.82 kcal -Vm 108.15 K-mica KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4 - -log_k 12.703 + -log_k 12.703 -delta_h -59.376 kcal Chlorite(14A) - Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O - -log_k 68.38 + Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O + -log_k 68.38 -delta_h -151.494 kcal Ca-Montmorillonite - Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+ - -log_k -45.027 + Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165 Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+ + -log_k -45.027 -delta_h 58.373 kcal -Vm 156.16 Talc Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4 - -log_k 21.399 + -log_k 21.399 -delta_h -46.352 kcal -Vm 68.34 Illite - K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 0.6K+ + 0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H+ - -log_k -40.267 + K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2 H2O = 0.6 K+ + 0.25 Mg+2 + 2.3 Al(OH)4- + 3.5 H4SiO4 + 1.2 H+ + -log_k -40.267 -delta_h 54.684 kcal -Vm 141.48 Chrysotile Mg3Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 3 Mg+2 - -log_k 32.2 - -delta_h -46.800 kcal - -analytic 13.248 0.0 10217.1 -6.1894 - -Vm 106.5808 # 277.11/2.60 + -log_k 32.2 + -delta_h -46.8 kcal + -analytic 13.248 0 10217.1 -6.1894 + -Vm 106.5808 # 277.11/2.60 Sepiolite - Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 - -log_k 15.760 - -delta_h -10.700 kcal + Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 + -log_k 15.76 + -delta_h -10.7 kcal -Vm 143.765 Sepiolite(d) - Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 - -log_k 18.66 + Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 + -log_k 18.66 Hematite Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O - -log_k -4.008 + -log_k -4.008 -delta_h -30.845 kcal -Vm 30.39 Goethite FeOOH + 3 H+ = Fe+3 + 2 H2O - -log_k -1.0 - -delta_h -14.48 kcal + -log_k -1 + -delta_h -14.48 kcal -Vm 20.84 Fe(OH)3(a) Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O - -log_k 4.891 + -log_k 4.891 Pyrite FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS- - -log_k -18.479 - -delta_h 11.300 kcal + -log_k -18.479 + -delta_h 11.3 kcal -Vm 23.48 FeS(ppt) FeS + H+ = Fe+2 + HS- - -log_k -3.915 + -log_k -3.915 Mackinawite FeS + H+ = Fe+2 + HS- - -log_k -4.648 + -log_k -4.648 -Vm 20.45 Sulfur - S + 2H+ + 2e- = H2S - -log_k 4.882 + S + 2 H+ + 2 e- = H2S + -log_k 4.882 -delta_h -9.5 kcal Vivianite Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O - -log_k -36.0 -Pyrolusite # H2O added for surface calc's + -log_k -36 +Pyrolusite # H2O added for surface calc's MnO2:H2O + 4 H+ + 2 e- = Mn+2 + 3 H2O - -log_k 41.38 - -delta_h -65.110 kcal + -log_k 41.38 + -delta_h -65.11 kcal Hausmannite Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O - -log_k 61.03 - -delta_h -100.640 kcal + -log_k 61.03 + -delta_h -100.64 kcal Manganite MnOOH + 3 H+ + e- = Mn+2 + 2 H2O - -log_k 25.34 + -log_k 25.34 Pyrochroite Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O - -log_k 15.2 + -log_k 15.2 Halite - NaCl = Cl- + Na+ - log_k 1.570 - -delta_h 1.37 + NaCl = Cl- + Na+ + log_k 1.57 + -delta_h 1.37 #-analytic -713.4616 -.1201241 37302.21 262.4583 -2106915. -Vm 27.1 Sylvite - KCl = K+ + Cl- - log_k 0.900 - -delta_h 8.5 + KCl = K+ + Cl- + log_k 0.9 + -delta_h 8.5 # -analytic 3.984 0.0 -919.55 Vm 37.5 # Gases... CO2(g) CO2 = CO2 - -log_k -1.468 + -log_k -1.468 -delta_h -4.776 kcal - -analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5 - -T_c 304.2 # critical T, K - -P_c 72.86 # critical P, atm + -analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5 + -T_c 304.2 # critical T, K + -P_c 72.86 # critical P, atm -Omega 0.225 # acentric factor H2O(g) H2O = H2O - -log_k 1.506; delta_h -44.03 kJ - -T_c 647.3; -P_c 217.60; -Omega 0.344 - -analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6 + -log_k 1.506; delta_h -44.03 kJ + -T_c 647.3; -P_c 217.6; -Omega 0.344 + -analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6 O2(g) O2 = O2 - -log_k -2.8983 - -analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5 - -T_c 154.6; -P_c 49.80; -Omega 0.021 + -log_k -2.8983 + -analytic -7.5001 7.8981e-3 0 0 2.0027e5 + -T_c 154.6; -P_c 49.8; -Omega 0.021 H2(g) H2 = H2 - -log_k -3.1050 - -delta_h -4.184 kJ - -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 - -T_c 33.2; -P_c 12.80; -Omega -0.225 + -log_k -3.105 + -delta_h -4.184 kJ + -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 + -T_c 33.2; -P_c 12.8; -Omega -0.225 N2(g) N2 = N2 - -log_k -3.1864 - -analytic -58.453 1.818e-3 3199 17.909 -27460 - -T_c 126.2; -P_c 33.50; -Omega 0.039 + -log_k -3.1864 + -analytic -58.453 1.818e-3 3199 17.909 -27460 + -T_c 126.2; -P_c 33.5; -Omega 0.039 H2S(g) - H2S = H+ + HS- - log_k -7.93 - -delta_h 9.1 - -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 - -T_c 373.2; -P_c 88.20; -Omega 0.1 + H2S = H+ + HS- + log_k -7.93 + -delta_h 9.1 + -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 + -T_c 373.2; -P_c 88.2; -Omega 0.1 CH4(g) CH4 = CH4 -log_k -2.8 - -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C - -T_c 190.6 ; -P_c 45.40 ; -Omega 0.008 + -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C + -T_c 190.6; -P_c 45.4; -Omega 0.008 Amm(g) Amm = Amm - -log_k 1.7966 - -analytic -18.758 3.3670e-4 2.5113e3 4.8619 39.192 - -T_c 405.6; -P_c 111.3; -Omega 0.25 + -log_k 1.7966 + -analytic -18.758 3.367e-4 2.5113e3 4.8619 39.192 + -T_c 405.6; -P_c 111.3; -Omega 0.25 # redox-uncoupled gases Oxg(g) Oxg = Oxg - -analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5 - -T_c 154.6 ; -P_c 49.80 ; -Omega 0.021 + -analytic -7.5001 7.8981e-3 0 0 2.0027e5 + -T_c 154.6; -P_c 49.8; -Omega 0.021 Hdg(g) Hdg = Hdg - -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 - -T_c 33.2 ; -P_c 12.80 ; -Omega -0.225 + -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 + -T_c 33.2; -P_c 12.8; -Omega -0.225 Ntg(g) Ntg = Ntg - -analytic -58.453 1.81800e-3 3199 17.909 -27460 - T_c 126.2 ; -P_c 33.50 ; -Omega 0.039 + -analytic -58.453 1.818e-3 3199 17.909 -27460 + T_c 126.2; -P_c 33.5; -Omega 0.039 Mtg(g) Mtg = Mtg -log_k -2.8 - -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C - -T_c 190.6 ; -P_c 45.40 ; -Omega 0.008 + -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C + -T_c 190.6; -P_c 45.4; -Omega 0.008 H2Sg(g) - H2Sg = H+ + HSg- - log_k -7.93 - -delta_h 9.1 - -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 - -T_c 373.2 ; -P_c 88.20 ; -Omega 0.1 + H2Sg = H+ + HSg- + log_k -7.93 + -delta_h 9.1 + -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 + -T_c 373.2; -P_c 88.2; -Omega 0.1 Melanterite FeSO4:7H2O = 7 H2O + Fe+2 + SO4-2 - -log_k -2.209 - -delta_h 4.910 kcal - -analytic 1.447 -0.004153 0.0 0.0 -214949.0 + -log_k -2.209 + -delta_h 4.91 kcal + -analytic 1.447 -0.004153 0 0 -214949 Alunite - KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6H2O - -log_k -1.4 - -delta_h -50.250 kcal + KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O + -log_k -1.4 + -delta_h -50.25 kcal Jarosite-K KFe3(SO4)2(OH)6 + 6 H+ = 3 Fe+3 + 6 H2O + K+ + 2 SO4-2 - -log_k -9.21 - -delta_h -31.280 kcal + -log_k -9.21 + -delta_h -31.28 kcal Zn(OH)2(e) Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O - -log_k 11.5 + -log_k 11.5 Smithsonite ZnCO3 = Zn+2 + CO3-2 - -log_k -10.0 - -delta_h -4.36 kcal + -log_k -10 + -delta_h -4.36 kcal Sphalerite ZnS + H+ = Zn+2 + HS- - -log_k -11.618 - -delta_h 8.250 kcal -Willemite 289 - Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4 - -log_k 15.33 + -log_k -11.618 + -delta_h 8.25 kcal +Willemite 289 + Zn2SiO4 + 4 H+ = 2 Zn+2 + H4SiO4 + -log_k 15.33 -delta_h -33.37 kcal Cd(OH)2 Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O - -log_k 13.65 + -log_k 13.65 Otavite 315 CdCO3 = Cd+2 + CO3-2 - -log_k -12.1 + -log_k -12.1 -delta_h -0.019 kcal -CdSiO3 328 - CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4 - -log_k 9.06 +CdSiO3 328 + CdSiO3 + H2O + 2 H+ = Cd+2 + H4SiO4 + -log_k 9.06 -delta_h -16.63 kcal -CdSO4 329 +CdSO4 329 CdSO4 = Cd+2 + SO4-2 - -log_k -0.1 + -log_k -0.1 -delta_h -14.74 kcal -Cerussite 365 +Cerussite 365 PbCO3 = Pb+2 + CO3-2 - -log_k -13.13 - -delta_h 4.86 kcal -Anglesite 384 + -log_k -13.13 + -delta_h 4.86 kcal +Anglesite 384 PbSO4 = Pb+2 + SO4-2 - -log_k -7.79 - -delta_h 2.15 kcal + -log_k -7.79 + -delta_h 2.15 kcal Pb(OH)2 389 - Pb(OH)2 + 2H+ = Pb+2 + 2H2O - -log_k 8.15 + Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O + -log_k 8.15 -delta_h -13.99 kcal EXCHANGE_MASTER_SPECIES - X X- + X X- EXCHANGE_SPECIES X- = X- - -log_k 0.0 + -log_k 0 Na+ + X- = NaX - -log_k 0.0 - -gamma 4.08 0.082 + -log_k 0 + -gamma 4.08 0.082 K+ + X- = KX - -log_k 0.7 - -gamma 3.5 0.015 - -delta_h -4.3 # Jardine & Sparks, 1984 + -log_k 0.7 + -gamma 3.5 0.015 + -delta_h -4.3 # Jardine & Sparks, 1984 Li+ + X- = LiX - -log_k -0.08 - -gamma 6.0 0 - -delta_h 1.4 # Merriam & Thomas, 1956 + -log_k -0.08 + -gamma 6 0 + -delta_h 1.4 # Merriam & Thomas, 1956 # !!!!! # H+ + X- = HX @@ -1342,65 +1345,65 @@ EXCHANGE_SPECIES # -gamma 9.0 0 AmmH+ + X- = AmmHX - -log_k 0.6 - -gamma 2.5 0 - -delta_h -2.4 # Laudelout et al., 1968 - - Ca+2 + 2X- = CaX2 - -log_k 0.8 - -gamma 5.0 0.165 - -delta_h 7.2 # Van Bladel & Gheyl, 1980 - - Mg+2 + 2X- = MgX2 - -log_k 0.6 - -gamma 5.5 0.2 - -delta_h 7.4 # Laudelout et al., 1968 - - Sr+2 + 2X- = SrX2 - -log_k 0.91 - -gamma 5.26 0.121 - -delta_h 5.5 # Laudelout et al., 1968 - - Ba+2 + 2X- = BaX2 - -log_k 0.91 - -gamma 4.0 0.153 - -delta_h 4.5 # Laudelout et al., 1968 - - Mn+2 + 2X- = MnX2 - -log_k 0.52 - -gamma 6.0 0 - - Fe+2 + 2X- = FeX2 - -log_k 0.44 - -gamma 6.0 0 - - Cu+2 + 2X- = CuX2 - -log_k 0.6 - -gamma 6.0 0 - - Zn+2 + 2X- = ZnX2 - -log_k 0.8 - -gamma 5.0 0 - - Cd+2 + 2X- = CdX2 - -log_k 0.8 - -gamma 0.0 0 - - Pb+2 + 2X- = PbX2 - -log_k 1.05 - -gamma 0.0 0 - - Al+3 + 3X- = AlX3 - -log_k 0.41 - -gamma 9.0 0 - - AlOH+2 + 2X- = AlOHX2 - -log_k 0.89 - -gamma 0.0 0 + -log_k 0.6 + -gamma 2.5 0 + -delta_h -2.4 # Laudelout et al., 1968 + + Ca+2 + 2 X- = CaX2 + -log_k 0.8 + -gamma 5 0.165 + -delta_h 7.2 # Van Bladel & Gheyl, 1980 + + Mg+2 + 2 X- = MgX2 + -log_k 0.6 + -gamma 5.5 0.2 + -delta_h 7.4 # Laudelout et al., 1968 + + Sr+2 + 2 X- = SrX2 + -log_k 0.91 + -gamma 5.26 0.121 + -delta_h 5.5 # Laudelout et al., 1968 + + Ba+2 + 2 X- = BaX2 + -log_k 0.91 + -gamma 4 0.153 + -delta_h 4.5 # Laudelout et al., 1968 + + Mn+2 + 2 X- = MnX2 + -log_k 0.52 + -gamma 6 0 + + Fe+2 + 2 X- = FeX2 + -log_k 0.44 + -gamma 6 0 + + Cu+2 + 2 X- = CuX2 + -log_k 0.6 + -gamma 6 0 + + Zn+2 + 2 X- = ZnX2 + -log_k 0.8 + -gamma 5 0 + + Cd+2 + 2 X- = CdX2 + -log_k 0.8 + -gamma 0 0 + + Pb+2 + 2 X- = PbX2 + -log_k 1.05 + -gamma 0 0 + + Al+3 + 3 X- = AlX3 + -log_k 0.41 + -gamma 9 0 + + AlOH+2 + 2 X- = AlOHX2 + -log_k 0.89 + -gamma 0 0 SURFACE_MASTER_SPECIES - Hfo_s Hfo_sOH - Hfo_w Hfo_wOH + Hfo_s Hfo_sOH + Hfo_w Hfo_wOH SURFACE_SPECIES # All surface data from # Dzombak and Morel, 1990 @@ -1411,24 +1414,24 @@ SURFACE_SPECIES # strong binding site--Hfo_s, Hfo_sOH = Hfo_sOH - -log_k 0 + -log_k 0 Hfo_sOH + H+ = Hfo_sOH2+ - -log_k 7.29 # = pKa1,int + -log_k 7.29 # = pKa1,int Hfo_sOH = Hfo_sO- + H+ - -log_k -8.93 # = -pKa2,int + -log_k -8.93 # = -pKa2,int # weak binding site--Hfo_w Hfo_wOH = Hfo_wOH - -log_k 0 + -log_k 0 Hfo_wOH + H+ = Hfo_wOH2+ - -log_k 7.29 # = pKa1,int + -log_k 7.29 # = pKa1,int Hfo_wOH = Hfo_wO- + H+ - -log_k -8.93 # = -pKa2,int + -log_k -8.93 # = -pKa2,int ############################################### # CATIONS # ############################################### @@ -1437,52 +1440,52 @@ SURFACE_SPECIES # # Calcium Hfo_sOH + Ca+2 = Hfo_sOHCa+2 - -log_k 4.97 + -log_k 4.97 Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ -log_k -5.85 # Strontium Hfo_sOH + Sr+2 = Hfo_sOHSr+2 - -log_k 5.01 + -log_k 5.01 Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+ -log_k -6.58 - Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+ + Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+ -log_k -17.6 # Barium Hfo_sOH + Ba+2 = Hfo_sOHBa+2 - -log_k 5.46 + -log_k 5.46 Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+ - -log_k -7.2 # table 10.5 + -log_k -7.2 # table 10.5 # # Cations from table 10.2 # # Cadmium Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+ - -log_k 0.47 + -log_k 0.47 Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+ - -log_k -2.91 + -log_k -2.91 # Zinc Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+ - -log_k 0.99 + -log_k 0.99 Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+ - -log_k -1.99 + -log_k -1.99 # Copper Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+ - -log_k 2.89 + -log_k 2.89 Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+ - -log_k 0.6 # table 10.5 + -log_k 0.6 # table 10.5 # Lead Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+ - -log_k 4.65 + -log_k 4.65 Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+ - -log_k 0.3 # table 10.5 + -log_k 0.3 # table 10.5 # # Derived constants table 10.5 # @@ -1491,18 +1494,18 @@ SURFACE_SPECIES -log_k -4.6 # Manganese Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+ - -log_k -0.4 # table 10.5 + -log_k -0.4 # table 10.5 Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+ - -log_k -3.5 # table 10.5 + -log_k -3.5 # table 10.5 # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, EST 36, 3096 Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ - -log_k -0.95 + -log_k -0.95 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+ -log_k -2.98 - Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+ + Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2 H+ -log_k -11.55 ############################################### # ANIONS # @@ -1511,51 +1514,51 @@ SURFACE_SPECIES # Anions from table 10.6 # # Phosphate - Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O - -log_k 31.29 + Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O + -log_k 31.29 - Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O - -log_k 25.39 + Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O + -log_k 25.39 Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O - -log_k 17.72 + -log_k 17.72 # # Anions from table 10.7 # # Borate Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O - -log_k 0.62 + -log_k 0.62 # # Anions from table 10.8 # # Sulfate Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O - -log_k 7.78 + -log_k 7.78 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 - -log_k 0.79 + -log_k 0.79 # # Derived constants table 10.10 # Hfo_wOH + F- + H+ = Hfo_wF + H2O - -log_k 8.7 + -log_k 8.7 Hfo_wOH + F- = Hfo_wOHF- - -log_k 1.6 + -log_k 1.6 # # Carbonate: Van Geen et al., 1994 reoptimized for D&M model # Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O - -log_k 12.56 + -log_k 12.56 - Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O - -log_k 20.62 + Hfo_wOH + CO3-2 + 2 H+ = Hfo_wHCO3 + H2O + -log_k 20.62 # # Silicate: Swedlund, P.J. and Webster, J.G., 1999. Water Research 33, 3413-3422. # - Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O ; log_K 4.28 - Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O ; log_K -3.22 - Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2H+ + H2O ; log_K -11.69 + Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O ; log_K 4.28 + Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O; log_K -3.22 + Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2 H+ + H2O; log_K -11.69 MEAN_GAMMAS CaCl2 Ca+2 1 Cl- 2 @@ -1580,6 +1583,7 @@ HCl H+ 1 Cl- 1 H2SO4 H+ 2 SO4-2 1 HBr H+ 1 Br- 1 + RATES ########### @@ -1597,15 +1601,15 @@ RATES Quartz -start -1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683 -2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol -3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259) -4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz -5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35 +1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683 +2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol +3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259) +4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz +5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35 10 dif_temp = 1/TK - 1/298 20 pk_w = 13.7 + 4700.4 * dif_temp -40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz")) +40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz")) # Integrate... 50 SAVE moles * TIME -end @@ -1650,38 +1654,38 @@ Quartz K-feldspar -start -1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 -2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar -3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) -5 REM K-Feldspar parameters -10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 -20 RESTORE 10 -30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH -40 DATA 3500, 2000, 2500, 2000 -50 RESTORE 40 -60 READ e_H, e_H2O, e_OH, e_CO2 -70 pk_CO2 = 13 -80 n_CO2 = 0.6 +1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 +2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar +3 REM PARM(2) = Adjusts lab rate to field rate +4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +5 REM K-Feldspar parameters +10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 +20 RESTORE 10 +30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH +40 DATA 3500, 2000, 2500, 2000 +50 RESTORE 40 +60 READ e_H, e_H2O, e_OH, e_CO2 +70 pk_CO2 = 13 +80 n_CO2 = 0.6 100 REM Generic rate follows 110 dif_temp = 1/TK - 1/281 -120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") +120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") 130 REM rate by H+ -140 pk_H = pk_H + e_H * dif_temp -150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) +140 pk_H = pk_H + e_H * dif_temp +150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) 160 REM rate by hydrolysis -170 pk_H2O = pk_H2O + e_H2O * dif_temp +170 pk_H2O = pk_H2O + e_H2O * dif_temp 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC) 190 REM rate by OH- -200 pk_OH = pk_OH + e_OH * dif_temp -210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH +200 pk_OH = pk_OH + e_OH * dif_temp +210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH 220 REM rate by CO2 -230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp +230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2 -250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 -260 area = PARM(1) * M0 *(M/M0)^0.67 -270 rate = PARM(2) * area * rate * (1-SR("K-feldspar")) -280 moles = rate * TIME +250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 +260 area = PARM(1) * M0 *(M/M0)^0.67 +270 rate = PARM(2) * area * rate * (1-SR("K-feldspar")) +280 moles = rate * TIME 290 SAVE moles -end @@ -1725,38 +1729,38 @@ K-feldspar Albite -start -1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 -2 REM PARM(1) = Specific area of Albite m^2/mol Albite -3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) -5 REM Albite parameters -10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3 -20 RESTORE 10 -30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH -40 DATA 3500, 2000, 2500, 2000 -50 RESTORE 40 -60 READ e_H, e_H2O, e_OH, e_CO2 -70 pk_CO2 = 13 -80 n_CO2 = 0.6 +1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 +2 REM PARM(1) = Specific area of Albite m^2/mol Albite +3 REM PARM(2) = Adjusts lab rate to field rate +4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +5 REM Albite parameters +10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3 +20 RESTORE 10 +30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH +40 DATA 3500, 2000, 2500, 2000 +50 RESTORE 40 +60 READ e_H, e_H2O, e_OH, e_CO2 +70 pk_CO2 = 13 +80 n_CO2 = 0.6 100 REM Generic rate follows 110 dif_temp = 1/TK - 1/281 -120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") +120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") 130 REM rate by H+ -140 pk_H = pk_H + e_H * dif_temp -150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) +140 pk_H = pk_H + e_H * dif_temp +150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) 160 REM rate by hydrolysis -170 pk_H2O = pk_H2O + e_H2O * dif_temp +170 pk_H2O = pk_H2O + e_H2O * dif_temp 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC) 190 REM rate by OH- -200 pk_OH = pk_OH + e_OH * dif_temp -210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH +200 pk_OH = pk_OH + e_OH * dif_temp +210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH 220 REM rate by CO2 -230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp +230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2 -250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 -260 area = PARM(1) * M0 *(M/M0)^0.67 -270 rate = PARM(2) * area * rate * (1-SR("Albite")) -280 moles = rate * TIME +250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 +260 area = PARM(1) * M0 *(M/M0)^0.67 +270 rate = PARM(2) * area * rate * (1-SR("Albite")) +280 moles = rate * TIME 290 SAVE moles -end @@ -1764,7 +1768,7 @@ Albite #Calcite ######## # Example of KINETICS data block for calcite rate, -# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257. +# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257 # KINETICS 1 # Calcite # -tol 1e-8 @@ -1775,16 +1779,16 @@ Albite Calcite -start -1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite -2 REM PARM(2) = exponent for M/M0 - -10 si_cc = SI("Calcite") -20 IF (M <= 0 and si_cc < 0) THEN GOTO 200 -30 k1 = 10^(0.198 - 444.0 / TK ) -40 k2 = 10^(2.84 - 2177.0 /TK ) -50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK) -60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK ) -80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M +1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite +2 REM PARM(2) = exponent for M/M0 + +10 si_cc = SI("Calcite") +20 IF (M <= 0 and si_cc < 0) THEN GOTO 200 +30 k1 = 10^(0.198 - 444 / TK ) +40 k2 = 10^(2.84 - 2177 /TK ) +50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317 / TK) +60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737 / TK ) +80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M 110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O")) 120 rate = rate * (1 - 10^(2/3*si_cc)) 130 moles = rate * 0.001 * TIME # convert from mmol to mol @@ -1809,18 +1813,18 @@ Calcite # -time 1 day in 10 Pyrite -start -1 REM Williamson and Rimstidt, 1994 -2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite) -3 REM PARM(2) = exp for (M/M0) -4 REM PARM(3) = exp for O2 -5 REM PARM(4) = exp for H+ - -10 REM Dissolution in presence of DO -20 if (M <= 0) THEN GOTO 200 -30 if (SI("Pyrite") >= 0) THEN GOTO 200 -40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+") -50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0) -60 moles = 10^(log_area + log_rate) * TIME +1 REM Williamson and Rimstidt, 1994 +2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite) +3 REM PARM(2) = exp for (M/M0) +4 REM PARM(3) = exp for O2 +5 REM PARM(4) = exp for H+ + +10 REM Dissolution in presence of DO +20 if (M <= 0) THEN GOTO 200 +30 if (SI("Pyrite") >= 0) THEN GOTO 200 +40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+") +50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0) +60 moles = 10^(log_area + log_rate) * TIME 200 SAVE moles -end @@ -1837,19 +1841,19 @@ Pyrite # -time 30 year in 15 Organic_C -start -1 REM Additive Monod kinetics for SOC (sediment organic carbon) -2 REM Electron acceptors: O2, NO3, and SO4 - -10 if (M <= 0) THEN GOTO 200 -20 mO2 = MOL("O2") -30 mNO3 = TOT("N(5)") -40 mSO4 = TOT("S(6)") -50 k_O2 = 1.57e-9 # 1/sec -60 k_NO3 = 1.67e-11 # 1/sec -70 k_SO4 = 1.e-13 # 1/sec -80 rate = k_O2 * mO2/(2.94e-4 + mO2) -90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3) -100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4) +1 REM Additive Monod kinetics for SOC (sediment organic carbon) +2 REM Electron acceptors: O2, NO3, and SO4 + +10 if (M <= 0) THEN GOTO 200 +20 mO2 = MOL("O2") +30 mNO3 = TOT("N(5)") +40 mSO4 = TOT("S(6)") +50 k_O2 = 1.57e-9 # 1/sec +60 k_NO3 = 1.67e-11 # 1/sec +70 k_SO4 = 1.e-13 # 1/sec +80 rate = k_O2 * mO2/(2.94e-4 + mO2) +90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3) +100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4) 110 moles = rate * M * (M/M0) * TIME 200 SAVE moles -end @@ -1870,25 +1874,25 @@ Organic_C # -time 0.5 day in 10 Pyrolusite -start -10 if (M <= 0) THEN GOTO 200 -20 sr_pl = SR("Pyrolusite") -30 if (sr_pl > 1) THEN GOTO 100 -40 REM sr_pl <= 1, undersaturated -50 Fe_t = TOT("Fe(2)") -60 if Fe_t < 1e-8 then goto 200 -70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl) -80 GOTO 200 +10 if (M <= 0) THEN GOTO 200 +20 sr_pl = SR("Pyrolusite") +30 if (sr_pl > 1) THEN GOTO 100 +40 REM sr_pl <= 1, undersaturated +50 Fe_t = TOT("Fe(2)") +60 if Fe_t < 1e-8 then goto 200 +70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl) +80 GOTO 200 100 REM sr_pl > 1, supersaturated 110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME 200 SAVE moles * SOLN_VOL -end # ============================================================================================= -#(a) means amorphous. (d) means disordered, or less crystalline. -#(14A) refers to 14 angstrom spacing of clay planes. FeS(ppt), -#precipitated, indicates an initial precipitate that is less crystalline. +#(a) means amorphous. (d) means disordered, or less crystalline. +#(14A) refers to 14 angstrom spacing of clay planes. FeS(ppt), +#precipitated, indicates an initial precipitate that is less crystalline. #Zn(OH)2(e) indicates a specific crystal form, epsilon. -# ============================================================================================= +# ============================================================================================= # For the reaction aA + bB = cC + dD, # with delta_v = c*Vm(C) + d*Vm(D) - a*Vm(A) - b*Vm(B), # PHREEQC adds the pressure term to log_k: -= delta_v * (P - 1) / (2.3RT). diff --git a/database/Tipping_Hurley.dat b/database/Tipping_Hurley.dat index 792e440c4..471fe1285 100644 --- a/database/Tipping_Hurley.dat +++ b/database/Tipping_Hurley.dat @@ -1,1397 +1,1401 @@ +# File 1 = C:\GitPrograms\phreeqc3-1\database\Tipping_Hurley.dat, 11/09/2013 23:05, 4134 lines, 111410 bytes, md5=ffec89dbc1a8a57aec1a0f8e2fc8f922 +# Created 17 May 2024 14:30:44 +# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "Tipping_Hurley.dat" + # $Id: wateq4f.dat 6895 2012-08-21 18:10:05Z dlpark $ # Revised arsenic data from Archer and Nordstrom (2002) SOLUTION_MASTER_SPECIES -Ag Ag+ 0.0 107.868 107.868 -Al Al+3 0.0 26.9815 26.9815 -Alkalinity CO3-2 1.0 50.05 50.05 -As H3AsO4 -1.0 74.9216 74.9216 -As(+3) H3AsO3 0.0 74.9216 74.9216 -As(+5) H3AsO4 -1.0 74.9216 -B H3BO3 0.0 10.81 10.81 -Ba Ba+2 0.0 137.34 137.34 -Br Br- 0.0 79.904 79.904 -C CO3-2 2.0 61.0173 12.0111 -C(+4) CO3-2 2.0 61.0173 -C(-4) CH4 0.0 16.042 -Ca Ca+2 0.0 40.08 40.08 -Cd Cd+2 0.0 112.4 112.4 -Cl Cl- 0.0 35.453 35.453 -Cs Cs+ 0.0 132.905 132.905 -Cu Cu+2 0.0 63.546 63.546 -Cu(+1) Cu+1 0.0 63.546 -Cu(+2) Cu+2 0.0 63.546 -E e- 0.0 0.0 0.0 -F F- 0.0 18.9984 18.9984 -Fe Fe+2 0.0 55.847 55.847 -Fe(+2) Fe+2 0.0 55.847 -Fe(+3) Fe+3 -2.0 55.847 -Fulvate Fulvate-2 0.0 650. 650. -H H+ -1. 1.008 1.008 -H(0) H2 0.0 1.008 -H(1) H+ -1. 1.008 -Humate Humate-2 0.0 2000. 2000. -I I- 0.0 126.9044 126.9044 -K K+ 0.0 39.102 39.102 -Li Li+ 0.0 6.939 6.939 -Mg Mg+2 0.0 24.312 24.312 -Mn Mn+2 0.0 54.938 54.938 -Mn(2) Mn+2 0.0 54.938 -Mn(3) Mn+3 0.0 54.938 -Mn(6) MnO4-2 0.0 54.938 -Mn(7) MnO4- 0.0 54.938 -N NO3- 0.0 14.0067 14.0067 -N(-3) NH4+ 0.0 14.0067 -N(0) N2 0.0 14.0067 -N(+3) NO2- 0.0 14.0067 -N(+5) NO3- 0.0 14.0067 -Na Na+ 0.0 22.9898 22.9898 -Ni Ni+2 0.0 58.71 58.71 -O H2O 0.0 16.00 16.00 -O(-2) H2O 0.0 18.016 -O(0) O2 0.0 16.00 -P PO4-3 2.0 30.9738 30.9738 -Pb Pb+2 0.0 207.19 207.19 -Rb Rb+ 0.0 85.47 85.47 -S SO4-2 0.0 96.0616 32.064 -S(-2) H2S 0.0 32.064 -S(6) SO4-2 0.0 96.0616 -Se SeO4-2 0.0 78.96 78.96 -Se(-2) HSe- 0.0 78.96 -Se(4) SeO3-2 0.0 78.96 -Se(6) SeO4-2 0.0 78.96 -Si H4SiO4 0.0 60.0843 28.0843 -Sr Sr+2 0.0 87.62 87.62 -Zn Zn+2 0.0 65.37 65.37 -U UO2+2 0.0 238.0290 238.0290 -U(3) U+3 0.0 238.0290 238.0290 -U(4) U+4 0.0 238.0290 238.0290 -U(5) UO2+ 0.0 238.0290 238.0290 -U(6) UO2+2 0.0 238.0290 238.0290 +Ag Ag+ 0 107.868 107.868 +Al Al+3 0 26.9815 26.9815 +Alkalinity CO3-2 1 50.05 50.05 +As H3AsO4 -1 74.9216 74.9216 +As(+3) H3AsO3 0 74.9216 74.9216 +As(+5) H3AsO4 -1 74.9216 +B H3BO3 0 10.81 10.81 +Ba Ba+2 0 137.34 137.34 +Br Br- 0 79.904 79.904 +C CO3-2 2 61.0173 12.0111 +C(+4) CO3-2 2 61.0173 +C(-4) CH4 0 16.042 +Ca Ca+2 0 40.08 40.08 +Cd Cd+2 0 112.4 112.4 +Cl Cl- 0 35.453 35.453 +Cs Cs+ 0 132.905 132.905 +Cu Cu+2 0 63.546 63.546 +Cu(+1) Cu+1 0 63.546 +Cu(+2) Cu+2 0 63.546 +E e- 1 0 0 +F F- 0 18.9984 18.9984 +Fe Fe+2 0 55.847 55.847 +Fe(+2) Fe+2 0 55.847 +Fe(+3) Fe+3 -2 55.847 +Fulvate Fulvate-2 0 650 650 +H H+ -1 1.008 1.008 +H(0) H2 0 1.008 +H(1) H+ -1 1.008 +Humate Humate-2 0 2000 2000 +I I- 0 126.9044 126.9044 +K K+ 0 39.102 39.102 +Li Li+ 0 6.939 6.939 +Mg Mg+2 0 24.312 24.312 +Mn Mn+2 0 54.938 54.938 +Mn(2) Mn+2 0 54.938 +Mn(3) Mn+3 0 54.938 +Mn(6) MnO4-2 0 54.938 +Mn(7) MnO4- 0 54.938 +N NO3- 0 14.0067 14.0067 +N(-3) NH4+ 0 14.0067 +N(0) N2 0 14.0067 +N(+3) NO2- 0 14.0067 +N(+5) NO3- 0 14.0067 +Na Na+ 0 22.9898 22.9898 +Ni Ni+2 0 58.71 58.71 +O H2O 0 16 16 +O(-2) H2O 0 18.016 +O(0) O2 0 16 +P PO4-3 2 30.9738 30.9738 +Pb Pb+2 0 207.19 207.19 +Rb Rb+ 0 85.47 85.47 +S SO4-2 0 96.0616 32.064 +S(-2) H2S 0 32.064 +S(6) SO4-2 0 96.0616 +Se SeO4-2 0 78.96 78.96 +Se(-2) HSe- 0 78.96 +Se(4) SeO3-2 0 78.96 +Se(6) SeO4-2 0 78.96 +Si H4SiO4 0 60.0843 28.0843 +Sr Sr+2 0 87.62 87.62 +Zn Zn+2 0 65.37 65.37 +U UO2+2 0 238.029 238.029 +U(3) U+3 0 238.029 238.029 +U(4) U+4 0 238.029 238.029 +U(5) UO2+ 0 238.029 238.029 +U(6) UO2+2 0 238.029 238.029 SOLUTION_SPECIES #H+ primary master species H+ = H+ - log_k 0.0 - -gamma 9.0 0.0 + log_k 0 + -gamma 9 0 #e- primary master species e- = e- - log_k 0.0 + log_k 0 #H2O primary master species H2O = H2O - log_k 0.0 + log_k 0 #Ag+ primary master species Ag+ = Ag+ - log_k 0.0 + log_k 0 #Al+3 primary master species Al+3 = Al+3 - log_k 0.0 - -gamma 9.0 0.0 + log_k 0 + -gamma 9 0 #H3AsO4 primary master species H3AsO4 = H3AsO4 - log_k 0.0 + log_k 0 #H3BO3 primary master species H3BO3 = H3BO3 - log_k 0.0 + log_k 0 #Ba+2 primary master species Ba+2 = Ba+2 - log_k 0.0 - -gamma 5.0 0.0 + log_k 0 + -gamma 5 0 #Br- primary master species Br- = Br- - log_k 0.0 + log_k 0 #CO3-2 primary master species CO3-2 = CO3-2 - log_k 0.0 - -gamma 5.4 0.0 + log_k 0 + -gamma 5.4 0 #Ca+2 primary master species Ca+2 = Ca+2 - log_k 0.0 - -gamma 5.0 0.165 + log_k 0 + -gamma 5 0.165 #Cd+2 primary master species Cd+2 = Cd+2 - log_k 0.0 + log_k 0 #Cl- primary master species Cl- = Cl- - log_k 0.0 - -gamma 3.5 0.015 + log_k 0 + -gamma 3.5 0.015 #Cs+ primary master species Cs+ = Cs+ - log_k 0.0 + log_k 0 #Cu+2 primary master species Cu+2 = Cu+2 - log_k 0.0 - -gamma 6.0 0.0 + log_k 0 + -gamma 6 0 #F- primary master species F- = F- - log_k 0.0 - -gamma 3.5 0.0 + log_k 0 + -gamma 3.5 0 #Fe+2 primary master species Fe+2 = Fe+2 - log_k 0.0 - -gamma 6.0 0.0 - + log_k 0 + -gamma 6 0 + #Fulvate-2 primary master species Fulvate-2 = Fulvate-2 - log_k 0.0 + log_k 0 #Humate-2 primary master species Humate-2 = Humate-2 - log_k 0.0 + log_k 0 #I- primary master species I- = I- - log_k 0.0 + log_k 0 #K+ primary master species K+ = K+ - log_k 0.0 - -gamma 3.5 0.015 + log_k 0 + -gamma 3.5 0.015 #Li+ primary master species Li+ = Li+ - log_k 0.0 - -gamma 6.0 0.0 + log_k 0 + -gamma 6 0 #Mg+2 primary master species Mg+2 = Mg+2 - log_k 0.0 - -gamma 5.5 0.200 + log_k 0 + -gamma 5.5 0.2 #Mn+2 primary master species Mn+2 = Mn+2 - log_k 0.0 - -gamma 6.0 0.0 + log_k 0 + -gamma 6 0 #NO3- primary master species NO3- = NO3- - log_k 0.0 - -gamma 3.0 0.0 + log_k 0 + -gamma 3 0 #Na+ primary master species Na+ = Na+ - log_k 0.0 - -gamma 4.0 0.075 + log_k 0 + -gamma 4 0.075 #Ni+2 primary master species Ni+2 = Ni+2 - log_k 0.0 + log_k 0 #PO4-3 primary master species PO4-3 = PO4-3 - log_k 0.0 - -gamma 5.0 0.0 + log_k 0 + -gamma 5 0 #Pb+2 primary master species Pb+2 = Pb+2 - log_k 0.0 + log_k 0 #Rb+ primary master species Rb+ = Rb+ - log_k 0.0 + log_k 0 #SO4-2 primary master species SO4-2 = SO4-2 - log_k 0.0 - -gamma 5.0 -0.040 + log_k 0 + -gamma 5 -0.04 #SeO4-2 primary master species SeO4-2 = SeO4-2 - log_k 0.0 + log_k 0 #H4SiO4 primary master species H4SiO4 = H4SiO4 - log_k 0.0 + log_k 0 #Sr+2 primary master species Sr+2 = Sr+2 - log_k 0.0 - -gamma 5.26 0.121 + log_k 0 + -gamma 5.26 0.121 #UO2+2 primary master species UO2+2 = UO2+2 - log_k 0.0 + log_k 0 #Zn+2 primary master species Zn+2 = Zn+2 - log_k 0.0 - -gamma 6.0 0.0 + log_k 0 + -gamma 6 0 #Fe+3 secondary master species 0 - Fe+2 = Fe+3 + e- - log_k -13.020 - delta_h 9.680 kcal - -gamma 9.0 0.0 + Fe+2 = Fe+3 + e- + log_k -13.02 + delta_h 9.68 kcal + -gamma 9 0 #FeOH+2 1 - Fe+3 + H2O = FeOH+2 + H+ - log_k -2.19 + Fe+3 + H2O = FeOH+2 + H+ + log_k -2.19 delta_h 10.4 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeOH+ 2 - Fe+2 + H2O = FeOH+ + H+ - log_k -9.5 + Fe+2 + H2O = FeOH+ + H+ + log_k -9.5 delta_h 13.2 kcal - -gamma 5.0 0.0 + -gamma 5 0 #Fe(OH)3- 3 - Fe+2 + 3H2O = Fe(OH)3- + 3H+ - log_k -31.0 + Fe+2 + 3 H2O = Fe(OH)3- + 3 H+ + log_k -31 delta_h 30.3 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeSO4+ 4 - Fe+3 + SO4-2 = FeSO4+ - log_k 4.04 + Fe+3 + SO4-2 = FeSO4+ + log_k 4.04 delta_h 3.91 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeCl+2 5 - Fe+3 + Cl- = FeCl+2 - log_k 1.48 + Fe+3 + Cl- = FeCl+2 + log_k 1.48 delta_h 5.6 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeCl2+ 6 - Fe+3 + 2Cl- = FeCl2+ - log_k 2.13 + Fe+3 + 2 Cl- = FeCl2+ + log_k 2.13 #FeCl3 7 - Fe+3 + 3Cl- = FeCl3 - log_k 1.13 + Fe+3 + 3 Cl- = FeCl3 + log_k 1.13 #FeSO4 8 - Fe+2 + SO4-2 = FeSO4 - log_k 2.25 + Fe+2 + SO4-2 = FeSO4 + log_k 2.25 delta_h 3.23 kcal #H3SiO4- 13 - H4SiO4 = H3SiO4- + H+ - log_k -9.83 + H4SiO4 = H3SiO4- + H+ + log_k -9.83 delta_h 6.12 kcal - -analytical -302.3724 -0.050698 15669.69 108.18466 -1119669.0 - -gamma 4.0 0.0 + -analytical -302.3724 -0.050698 15669.69 108.18466 -1119669 + -gamma 4 0 #H2SiO4-2 14 - H4SiO4 = H2SiO4-2 + 2H+ - log_k -23.0 + H4SiO4 = H2SiO4-2 + 2 H+ + log_k -23 delta_h 17.6 kcal - -analytical -294.0184 -0.07265 11204.49 108.18466 -1119669.0 - -gamma 5.4 0.0 + -analytical -294.0184 -0.07265 11204.49 108.18466 -1119669 + -gamma 5.4 0 #HPO4-2 15 H+ + PO4-3 = HPO4-2 - log_k 12.346 + log_k 12.346 delta_h -3.53 kcal - -gamma 5.0 0.0 + -gamma 5 0 #H2PO4- 16 - 2H+ + PO4-3 = H2PO4- - log_k 19.553 + 2 H+ + PO4-3 = H2PO4- + log_k 19.553 delta_h -4.52 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #MgF+ 22 - Mg+2 + F- = MgF+ - log_k 1.82 + Mg+2 + F- = MgF+ + log_k 1.82 delta_h 3.2 kcal - -gamma 4.5 0.0 + -gamma 4.5 0 #CaSO4 23 - Ca+2 + SO4-2 = CaSO4 - log_k 2.3 + Ca+2 + SO4-2 = CaSO4 + log_k 2.3 delta_h 1.65 kcal #MgOH+ 24 - Mg+2 + H2O = MgOH+ + H+ - log_k -11.44 + Mg+2 + H2O = MgOH+ + H+ + log_k -11.44 delta_h 15.952 kcal - -gamma 6.5 0.0 + -gamma 6.5 0 #H3BO3 25 H3BO3 = H2BO3- + H+ - log_k -9.24 + log_k -9.24 delta_h 3.224 kcal # -analytical 24.3919 0.012078 -1343.9 -13.2258 - -gamma 2.5 0.0 + -gamma 2.5 0 #NH3 26 - NH4+ = NH3 + H+ - log_k -9.252 + NH4+ = NH3 + H+ + log_k -9.252 delta_h 12.48 kcal - -analytic 0.6322 -0.001225 -2835.76 - -gamma 2.5 0.0 + -analytic 0.6322 -0.001225 -2835.76 + -gamma 2.5 0 #NaHPO4- 30 Na+ + HPO4-2 = NaHPO4- - log_k 0.29 - -gamma 5.4 0.0 + log_k 0.29 + -gamma 5.4 0 #KHPO4- 32 K+ + HPO4-2 = KHPO4- - log_k 0.29 - -gamma 5.4 0.0 + log_k 0.29 + -gamma 5.4 0 #MgHPO4 33 - Mg+2 + HPO4-2 = MgHPO4 - log_k 2.87 + Mg+2 + HPO4-2 = MgHPO4 + log_k 2.87 delta_h 3.3 kcal #CaHPO4 34 - Ca+2 + HPO4-2 = CaHPO4 - log_k 2.739 + Ca+2 + HPO4-2 = CaHPO4 + log_k 2.739 delta_h 3.3 kcal #CH4 secondary master species CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O - log_k 41.071 - delta_h -61.039 kcal + log_k 41.071 + delta_h -61.039 kcal #H2CO3 35 -# HCO3- + H+ = H2CO3 +# HCO3- + H+ = H2CO3 # log_k 6.351 # delta_h -2.247 kcal # -analytical 356.3094 0.06091960 -21834.37 -126.8339 1684915.0 #CO2 could be used instead of H2CO3 CO3-2 + 2 H+ = CO2 + H2O - log_k 16.681 + log_k 16.681 delta_h -5.738 kcal - -analytical 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 + -analytical 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 #HCO3- 68 - H+ + CO3-2 = HCO3- - log_k 10.329 + H+ + CO3-2 = HCO3- + log_k 10.329 delta_h -3.561 kcal - -analytical 107.8871 0.03252849 -5151.79 -38.92561 563713.9 - -gamma 5.4 0.0 + -analytical 107.8871 0.03252849 -5151.79 -38.92561 563713.9 + -gamma 5.4 0 #NaCO3- 69 - Na+ + CO3-2 = NaCO3- - log_k 1.27 + Na+ + CO3-2 = NaCO3- + log_k 1.27 delta_h 8.91 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #NaHCO3 70 - Na+ + HCO3- = NaHCO3 - log_k -0.25 + Na+ + HCO3- = NaHCO3 + log_k -0.25 #NaSO4- 71 Na+ + SO4-2 = NaSO4- - log_k 0.7 + log_k 0.7 delta_h 1.12 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #KSO4- 72 K+ + SO4-2 = KSO4- - log_k 0.85 + log_k 0.85 delta_h 2.25 kcal - -analytical 3.106 0.0 -673.6 - -gamma 5.4 0.0 + -analytical 3.106 0 -673.6 + -gamma 5.4 0 #MgCO3 73 - Mg+2 + CO3-2 = MgCO3 - log_k 2.98 + Mg+2 + CO3-2 = MgCO3 + log_k 2.98 delta_h 2.713 kcal - -analytical 0.9910 0.00667 + -analytical 0.991 0.00667 #MgHCO3+ 74 Mg+2 + HCO3- = MgHCO3+ - log_k 1.07 + log_k 1.07 delta_h 0.79 kcal - -analytical -59.215 0.0 2537.455 20.92298 0.0 - -gamma 4.0 0.0 + -analytical -59.215 0 2537.455 20.92298 0 + -gamma 4 0 #MgSO4 75 - Mg+2 + SO4-2 = MgSO4 - log_k 2.37 + Mg+2 + SO4-2 = MgSO4 + log_k 2.37 delta_h 4.55 kcal #CaOH+ 76 - Ca+2 + H2O = CaOH+ + H+ - log_k -12.78 - -gamma 6.0 0.0 + Ca+2 + H2O = CaOH+ + H+ + log_k -12.78 + -gamma 6 0 #CaHCO3+ 77 Ca+2 + HCO3- = CaHCO3+ - log_k 1.106 + log_k 1.106 delta_h 2.69 kcal - -analytical 1209.12 0.31294 -34765.05 -478.782 0.0 - -gamma 6.0 0.0 + -analytical 1209.12 0.31294 -34765.05 -478.782 0 + -gamma 6 0 #CaCO3 78 - Ca+2 + CO3-2 = CaCO3 - log_k 3.224 + Ca+2 + CO3-2 = CaCO3 + log_k 3.224 delta_h 3.545 kcal - -analytical -1228.732 -0.299444 35512.75 485.818 0.0 + -analytical -1228.732 -0.299444 35512.75 485.818 0 #SrHCO3+ 79 - Sr+2 + HCO3- = SrHCO3+ - log_k 1.18 + Sr+2 + HCO3- = SrHCO3+ + log_k 1.18 delta_h 6.05 kcal - -analytical -3.248 0.014867 0.0 0.0 0.0 - -gamma 5.4 0.0 + -analytical -3.248 0.014867 0 0 0 + -gamma 5.4 0 #AlOH+2 80 - Al+3 + H2O = AlOH+2 + H+ - log_k -5.0 + Al+3 + H2O = AlOH+2 + H+ + log_k -5 delta_h 11.49 kcal - -analytical -38.253 0.0 -656.27 14.327 0.0 - -gamma 5.4 0.0 + -analytical -38.253 0 -656.27 14.327 0 + -gamma 5.4 0 #Al(OH)2+ 81 - Al+3 + 2H2O = Al(OH)2+ + 2H+ - log_k -10.1 + Al+3 + 2 H2O = Al(OH)2+ + 2 H+ + log_k -10.1 delta_h 26.9 kcal - -analytical 88.5 0.0 -9391.6 -27.121 0.0 - -gamma 5.4 0.0 + -analytical 88.5 0 -9391.6 -27.121 0 + -gamma 5.4 0 #Al(OH)3 336 - Al+3 + 3H2O = Al(OH)3 + 3H+ - log_k -16.9 + Al+3 + 3 H2O = Al(OH)3 + 3 H+ + log_k -16.9 delta_h 39.89 kcal - -analytical 226.374 0.0 -18247.8 -73.597 0.0 + -analytical 226.374 0 -18247.8 -73.597 0 #Al(OH)4- 82 - Al+3 + 4H2O = Al(OH)4- + 4H+ - log_k -22.7 + Al+3 + 4 H2O = Al(OH)4- + 4 H+ + log_k -22.7 delta_h 42.3 kcal - -analytical 51.578 0.0 -11168.9 -14.865 0.0 - -gamma 4.5 0.0 + -analytical 51.578 0 -11168.9 -14.865 0 + -gamma 4.5 0 #AlF+2 83 - Al+3 + F- = AlF+2 - log_k 7.0 + Al+3 + F- = AlF+2 + log_k 7 delta_h 1.06 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #AlF2+ 84 - Al+3 + 2F- = AlF2+ - log_k 12.7 + Al+3 + 2 F- = AlF2+ + log_k 12.7 delta_h 1.98 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #AlF3 85 - Al+3 + 3F- = AlF3 - log_k 16.8 + Al+3 + 3 F- = AlF3 + log_k 16.8 delta_h 2.16 kcal #AlF4- 86 - Al+3 + 4F- = AlF4- - log_k 19.4 + Al+3 + 4 F- = AlF4- + log_k 19.4 delta_h 2.2 kcal - -gamma 4.5 0.0 + -gamma 4.5 0 #AlSO4+ 87 Al+3 + SO4-2 = AlSO4+ - log_k 3.5 + log_k 3.5 delta_h 2.29 kcal - -gamma 4.5 0.0 + -gamma 4.5 0 #Al(SO4)2- 88 - Al+3 + 2SO4-2 = Al(SO4)2- - log_k 5.0 + Al+3 + 2 SO4-2 = Al(SO4)2- + log_k 5 delta_h 3.11 kcal - -gamma 4.5 0.0 + -gamma 4.5 0 #HSO4- 89 - H+ + SO4-2 = HSO4- - log_k 1.988 + H+ + SO4-2 = HSO4- + log_k 1.988 delta_h 3.85 kcal - -analytical -56.889 0.006473 2307.9 19.8858 0.0 - -gamma 4.5 0.0 + -analytical -56.889 0.006473 2307.9 19.8858 0 + -gamma 4.5 0 #H2S secondary master species 90 - SO4-2 + 10H+ + 8e- = H2S + 4H2O - log_k 40.644 + SO4-2 + 10 H+ + 8 e- = H2S + 4 H2O + log_k 40.644 delta_h -65.44 kcal #HS- 91 - H2S = HS- + H+ - log_k -6.994 + H2S = HS- + H+ + log_k -6.994 delta_h 5.3 kcal - -analytical 11.17 -0.02386 -3279.0 - -gamma 3.5 0.0 + -analytical 11.17 -0.02386 -3279 + -gamma 3.5 0 #S-2 92 - HS- = S-2 + H+ - log_k -12.918 + HS- = S-2 + H+ + log_k -12.918 delta_h 12.1 kcal - -gamma 5.0 0.0 + -gamma 5 0 #oxy 93 -# 0.5H2O = 0.25O2 + H+ + e- +# 0.5H2O = 0.25O2 + H+ + e- # log_k -20.780 # delta_h 34.157000 kcal #O2 secondary master species - 2H2O = O2 + 4H+ + 4e- - log_k -86.08 + 2 H2O = O2 + 4 H+ + 4 e- + log_k -86.08 delta_h 134.79 kcal #H2 secondary master species 2 H+ + 2 e- = H2 - log_k -3.15 + log_k -3.15 delta_h -1.759 kcal #Fe(OH)2+ 102 - Fe+3 + 2H2O = Fe(OH)2+ + 2H+ - log_k -5.67 + Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+ + log_k -5.67 delta_h 17.1 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #Fe(OH)3 103 - Fe+3 + 3H2O = Fe(OH)3 + 3H+ - log_k -12.56 + Fe+3 + 3 H2O = Fe(OH)3 + 3 H+ + log_k -12.56 delta_h 24.8 kcal #Fe(OH)4- 104 - Fe+3 + 4H2O = Fe(OH)4- + 4H+ - log_k -21.6 + Fe+3 + 4 H2O = Fe(OH)4- + 4 H+ + log_k -21.6 delta_h 31.9 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #Fe(OH)2 105 - Fe+2 + 2H2O = Fe(OH)2 + 2H+ - log_k -20.57 + Fe+2 + 2 H2O = Fe(OH)2 + 2 H+ + log_k -20.57 delta_h 28.565 kcal #FeH2PO4+ 120 - Fe+2 + H2PO4- = FeH2PO4+ - log_k 2.7 - -gamma 5.4 0.0 + Fe+2 + H2PO4- = FeH2PO4+ + log_k 2.7 + -gamma 5.4 0 #CaPO4- 121 Ca+2 + PO4-3 = CaPO4- - log_k 6.459 + log_k 6.459 delta_h 3.1 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #CaH2PO4+ 122 Ca+2 + H2PO4- = CaH2PO4+ - log_k 1.408 + log_k 1.408 delta_h 3.4 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #MgPO4- 123 Mg+2 + PO4-3 = MgPO4- - log_k 6.589 + log_k 6.589 delta_h 3.1 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #MgH2PO4+ 124 Mg+2 + H2PO4- = MgH2PO4+ - log_k 1.513 + log_k 1.513 delta_h 3.4 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #LiSO4- 126 Li+ + SO4-2 = LiSO4- - log_k 0.64 - -gamma 5.0 0.0 + log_k 0.64 + -gamma 5 0 #N2 secondary master species 2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O - log_k 207.080 - delta_h -312.130 kcal + log_k 207.08 + delta_h -312.13 kcal #NH4 secondary master species 127 - NO3- + 10H+ + 8e- = NH4+ + 3H2O - log_k 119.077 + NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O + log_k 119.077 delta_h -187.055 kcal #SrOH+ 129 - Sr+2 + H2O = SrOH+ + H+ - log_k -13.29 - -gamma 5.0 0.0 + Sr+2 + H2O = SrOH+ + H+ + log_k -13.29 + -gamma 5 0 #BaOH+ 130 - Ba+2 + H2O = BaOH+ + H+ - log_k -13.47 - -gamma 5.0 0.0 + Ba+2 + H2O = BaOH+ + H+ + log_k -13.47 + -gamma 5 0 #NH4SO4- 131 - NH4+ + SO4-2 = NH4SO4- - log_k 1.11 - -gamma 5.0 0.0 + NH4+ + SO4-2 = NH4SO4- + log_k 1.11 + -gamma 5 0 #SrCO3 135 - Sr+2 + CO3-2 = SrCO3 - log_k 2.81 + Sr+2 + CO3-2 = SrCO3 + log_k 2.81 delta_h 5.22 kcal - -analytical -1.019 0.012826 0.0 0.0 0.0 - -gamma 5.0 0.0 + -analytical -1.019 0.012826 0 0 0 + -gamma 5 0 #O2Sato 136 -# 0.5H2O = 0.25O2(aq) + H+ + e- +# 0.5H2O = 0.25O2(aq) + H+ + e- # log_k -11.385 #CO2 137 -# CO2 (g) + H2O = H2CO3 +# CO2 (g) + H2O = H2CO3 # -1.468 -4.776 108.38650 0.01985076 -6919.530 -40.45154 -669365.0 #FeHPO4 138 Fe+2 + HPO4-2 = FeHPO4 - log_k 3.6 + log_k 3.6 #FeHPO4+ 139 - Fe+3 + HPO4-2 = FeHPO4+ - log_k 5.43 + Fe+3 + HPO4-2 = FeHPO4+ + log_k 5.43 delta_h 5.76 kcal - -gamma 5.5 0.0 + -gamma 5.5 0 #FeHSO4+ 148 Fe+2 + HSO4- = FeHSO4+ - log_k 1.08 + log_k 1.08 #O2calc 151 -# 0.5H2O = 0.25O2(aq) + H+ + e- +# 0.5H2O = 0.25O2(aq) + H+ + e- # log_k -20.780 # delta_h 33.457 kcal #OH- 152 - H2O = OH- + H+ - log_k -14.0 + H2O = OH- + H+ + log_k -14 delta_h 13.362 kcal - -analytical -283.971 -0.05069842 13323.0 102.24447 -1119669.0 - -gamma 3.5 0.0 + -analytical -283.971 -0.05069842 13323 102.24447 -1119669 + -gamma 3.5 0 #FeH2PO4+2 156 Fe+3 + H2PO4- = FeH2PO4+2 - log_k 5.43 - -gamma 5.4 0.0 + log_k 5.43 + -gamma 5.4 0 #FeHSO4+2 159 - Fe+3 + HSO4- = FeHSO4+2 - log_k 2.48 + Fe+3 + HSO4- = FeHSO4+2 + log_k 2.48 #CaF+ 160 - Ca+2 + F- = CaF+ - log_k 0.94 + Ca+2 + F- = CaF+ + log_k 0.94 delta_h 4.12 kcal - -gamma 5.5 0.0 + -gamma 5.5 0 #BF(OH)3- 161 H3BO3 + F- = BF(OH)3- - log_k -0.4 + log_k -0.4 delta_h 1.85 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #BF2(OH)2- 162 - H3BO3 + H+ + 2F- = BF2(OH)2- + H2O - log_k 7.63 + H3BO3 + H+ + 2 F- = BF2(OH)2- + H2O + log_k 7.63 delta_h 1.618 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #BF3OH- 163 - H3BO3 + 2H+ + 3F- = BF3OH- + 2H2O - log_k 13.67 + H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O + log_k 13.67 delta_h -1.614 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #BF4- 164 - H3BO3 + 3H+ + 4F- = BF4- + 3H2O - log_k 20.28 + H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O + log_k 20.28 delta_h -1.846 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #FeF+2 165 - Fe+3 + F- = FeF+2 - log_k 6.2 + Fe+3 + F- = FeF+2 + log_k 6.2 delta_h 2.7 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeF2+ 166 - Fe+3 + 2F- = FeF2+ - log_k 10.8 + Fe+3 + 2 F- = FeF2+ + log_k 10.8 delta_h 4.8 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeF3 167 - Fe+3 + 3F- = FeF3 - log_k 14.0 + Fe+3 + 3 F- = FeF3 + log_k 14 delta_h 5.4 kcal #CaHSO4+ 168 - Ca+2 + HSO4- = CaHSO4+ - log_k 1.08 + Ca+2 + HSO4- = CaHSO4+ + log_k 1.08 #Mn+3 secondary master species 169 - Mn+2 = Mn+3 + e- - log_k -25.51 + Mn+2 = Mn+3 + e- + log_k -25.51 delta_h 25.8 kcal - -gamma 9.0 0.0 + -gamma 9 0 #MnCl+ 170 - Mn+2 + Cl- = MnCl+ - log_k 0.61 - -gamma 5.0 0.0 + Mn+2 + Cl- = MnCl+ + log_k 0.61 + -gamma 5 0 #MnCl2 171 - Mn+2 + 2Cl- = MnCl2 - log_k 0.25 + Mn+2 + 2 Cl- = MnCl2 + log_k 0.25 #MnCl3- 172 - Mn+2 + 3Cl- = MnCl3- - log_k -0.31 - -gamma 5.0 0.0 + Mn+2 + 3 Cl- = MnCl3- + log_k -0.31 + -gamma 5 0 #MnOH+ 173 - Mn+2 + H2O = MnOH+ + H+ - log_k -10.59 + Mn+2 + H2O = MnOH+ + H+ + log_k -10.59 delta_h 14.4 kcal - -gamma 5.0 0.0 + -gamma 5 0 #Mn(OH)3- 174 - Mn+2 + 3H2O = Mn(OH)3- + 3H+ - log_k -34.8 - -gamma 5.0 0.0 + Mn+2 + 3 H2O = Mn(OH)3- + 3 H+ + log_k -34.8 + -gamma 5 0 #MnF+ 175 - Mn+2 + F- = MnF+ - log_k 0.84 - -gamma 5.0 0.0 + Mn+2 + F- = MnF+ + log_k 0.84 + -gamma 5 0 #MnSO4 176 - Mn+2 + SO4-2 = MnSO4 - log_k 2.25 + Mn+2 + SO4-2 = MnSO4 + log_k 2.25 delta_h 3.37 kcal #Mn(NO3)2 177 - Mn+2 + 2NO3- = Mn(NO3)2 - log_k 0.6 + Mn+2 + 2 NO3- = Mn(NO3)2 + log_k 0.6 delta_h -0.396 kcal #MnHCO3+ 178 Mn+2 + HCO3- = MnHCO3+ - log_k 1.95 - -gamma 5.0 0.0 + log_k 1.95 + -gamma 5 0 #MnO4- secondary master species 179 - Mn+2 + 4H2O = MnO4- + 8H+ + 5e- - log_k -127.824 + Mn+2 + 4 H2O = MnO4- + 8 H+ + 5 e- + log_k -127.824 delta_h 176.62 kcal - -gamma 3.0 0.0 + -gamma 3 0 #MnO4-2 secondary master species 180 - Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e- - log_k -118.44 + Mn+2 + 4 H2O = MnO4-2 + 8 H+ + 4 e- + log_k -118.44 delta_h 150.02 kcal - -gamma 5.0 0.0 + -gamma 5 0 #SiF6-2 201 - H4SiO4 + 4H+ + 6F- = SiF6-2 + 4H2O - log_k 30.18 + H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O + log_k 30.18 delta_h -16.26 kcal - -gamma 5.0 0.0 + -gamma 5 0 #HF 202 - H+ + F- = HF - log_k 3.18 + H+ + F- = HF + log_k 3.18 delta_h 3.18 kcal - -analytical -2.033 0.012645 429.01 0.0 0.0 + -analytical -2.033 0.012645 429.01 0 0 #HF2- 203 - H+ + 2F- = HF2- - log_k 3.76 + H+ + 2 F- = HF2- + log_k 3.76 delta_h 4.55 kcal - -gamma 3.5 0.0 + -gamma 3.5 0 #CuCl2- 206 # Cu+2 + 2Cl- + e- = CuCl2- # log_k 8.220 # delta_h 1.230 kcal - Cu+ + 2Cl- = CuCl2- - log_k 5.50 + Cu+ + 2 Cl- = CuCl2- + log_k 5.5 delta_h -0.42 kcal - -gamma 4.0 0.0 + -gamma 4 0 #CuCl3-2 207 -# Cu+2 + 3Cl- + e- = CuCl3-2 +# Cu+2 + 3Cl- + e- = CuCl3-2 # log_k 8.420 # delta_h 1.910 kcal - Cu+ + 3Cl- = CuCl3-2 - log_k 5.70 + Cu+ + 3 Cl- = CuCl3-2 + log_k 5.7 delta_h 0.26 kcal - -gamma 5.0 0.0 + -gamma 5 0 #Cu+ secondary master species 208 - Cu+2 + e- = Cu+ - log_k 2.72 + Cu+2 + e- = Cu+ + log_k 2.72 delta_h 1.65 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #CuCO3 209 - Cu+2 + CO3-2 = CuCO3 - log_k 6.73 + Cu+2 + CO3-2 = CuCO3 + log_k 6.73 #Cu(CO3)2-2 210 - Cu+2 + 2CO3-2 = Cu(CO3)2-2 - log_k 9.83 + Cu+2 + 2 CO3-2 = Cu(CO3)2-2 + log_k 9.83 #CuCl+ 211 - Cu+2 + Cl- = CuCl+ - log_k 0.43 + Cu+2 + Cl- = CuCl+ + log_k 0.43 delta_h 8.65 kcal - -gamma 4.0 0.0 + -gamma 4 0 #CuCl2 212 - Cu+2 + 2Cl- = CuCl2 - log_k 0.16 + Cu+2 + 2 Cl- = CuCl2 + log_k 0.16 delta_h 10.56 kcal #CuCl3- 213 - Cu+2 + 3Cl- = CuCl3- - log_k -2.29 + Cu+2 + 3 Cl- = CuCl3- + log_k -2.29 delta_h 13.69 kcal - -gamma 4.0 0.0 + -gamma 4 0 #CuCl4-2 214 - Cu+2 + 4Cl- = CuCl4-2 - log_k -4.59 + Cu+2 + 4 Cl- = CuCl4-2 + log_k -4.59 delta_h 17.78 kcal - -gamma 5.0 0.0 + -gamma 5 0 #CuF+ 215 - Cu+2 + F- = CuF+ - log_k 1.26 + Cu+2 + F- = CuF+ + log_k 1.26 delta_h 1.62 kcal #CuOH+ 216 - Cu+2 + H2O = CuOH+ + H+ - log_k -8.0 - -gamma 4.0 0.0 + Cu+2 + H2O = CuOH+ + H+ + log_k -8 + -gamma 4 0 #Cu(OH)2 217 - Cu+2 + 2H2O = Cu(OH)2 + 2H+ - log_k -13.68 + Cu+2 + 2 H2O = Cu(OH)2 + 2 H+ + log_k -13.68 #Cu(OH)3- 218 - Cu+2 + 3H2O = Cu(OH)3- + 3H+ - log_k -26.9 + Cu+2 + 3 H2O = Cu(OH)3- + 3 H+ + log_k -26.9 #Cu(OH)4-2 219 - Cu+2 + 4H2O = Cu(OH)4-2 + 4H+ - log_k -39.6 + Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+ + log_k -39.6 #Cu2(OH)2+2 220 - 2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+ - log_k -10.359 + 2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+ + log_k -10.359 delta_h 17.539 kcal - -analytical 2.497 0.0 -3833.0 0.0 0.0 + -analytical 2.497 0 -3833 0 0 #CuSO4 221 - Cu+2 + SO4-2 = CuSO4 - log_k 2.31 + Cu+2 + SO4-2 = CuSO4 + log_k 2.31 delta_h 1.22 kcal #Cu(HS)3- 222 - Cu+2 + 3HS- = Cu(HS)3- - log_k 25.9 + Cu+2 + 3 HS- = Cu(HS)3- + log_k 25.9 #ZnCl+ 251 - Zn+2 + Cl- = ZnCl+ - log_k 0.43 + Zn+2 + Cl- = ZnCl+ + log_k 0.43 delta_h 7.79 kcal - -gamma 4.0 0.0 + -gamma 4 0 #ZnCl2 252 - Zn+2 + 2Cl- = ZnCl2 - log_k 0.45 + Zn+2 + 2 Cl- = ZnCl2 + log_k 0.45 delta_h 8.5 kcal #ZnCl3- 253 - Zn+2 + 3Cl- = ZnCl3- - log_k 0.5 + Zn+2 + 3 Cl- = ZnCl3- + log_k 0.5 delta_h 9.56 kcal - -gamma 4.0 0.0 + -gamma 4 0 #ZnCl4-2 254 - Zn+2 + 4Cl- = ZnCl4-2 - log_k 0.2 + Zn+2 + 4 Cl- = ZnCl4-2 + log_k 0.2 delta_h 10.96 kcal - -gamma 5.0 0.0 + -gamma 5 0 #ZnF+ 255 - Zn+2 + F- = ZnF+ - log_k 1.15 + Zn+2 + F- = ZnF+ + log_k 1.15 delta_h 2.22 kcal #ZnOH+ 256 - Zn+2 + H2O = ZnOH+ + H+ - log_k -8.96 + Zn+2 + H2O = ZnOH+ + H+ + log_k -8.96 delta_h 13.4 kcal #Zn(OH)2 257 - Zn+2 + 2H2O = Zn(OH)2 + 2H+ - log_k -16.9 + Zn+2 + 2 H2O = Zn(OH)2 + 2 H+ + log_k -16.9 #Zn(OH)3- 258 - Zn+2 + 3H2O = Zn(OH)3- + 3H+ - log_k -28.4 + Zn+2 + 3 H2O = Zn(OH)3- + 3 H+ + log_k -28.4 #Zn(OH)4-2 259 - Zn+2 + 4H2O = Zn(OH)4-2 + 4H+ - log_k -41.2 + Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+ + log_k -41.2 #ZnOHCl 260 - Zn+2 + H2O + Cl- = ZnOHCl + H+ - log_k -7.48 + Zn+2 + H2O + Cl- = ZnOHCl + H+ + log_k -7.48 #Zn(HS)2 261 - Zn+2 + 2HS- = Zn(HS)2 - log_k 14.94 + Zn+2 + 2 HS- = Zn(HS)2 + log_k 14.94 #Zn(HS)3- 262 - Zn+2 + 3HS- = Zn(HS)3- - log_k 16.1 + Zn+2 + 3 HS- = Zn(HS)3- + log_k 16.1 #ZnSO4 263 - Zn+2 + SO4-2 = ZnSO4 - log_k 2.37 + Zn+2 + SO4-2 = ZnSO4 + log_k 2.37 delta_h 1.36 kcal #Zn(SO4)2-2 264 - Zn+2 + 2SO4-2 = Zn(SO4)2-2 - log_k 3.28 + Zn+2 + 2 SO4-2 = Zn(SO4)2-2 + log_k 3.28 #CdCl+ 294 - Cd+2 + Cl- = CdCl+ - log_k 1.98 + Cd+2 + Cl- = CdCl+ + log_k 1.98 delta_h 0.59 kcal #CdCl2 295 - Cd+2 + 2Cl- = CdCl2 - log_k 2.6 + Cd+2 + 2 Cl- = CdCl2 + log_k 2.6 delta_h 1.24 kcal #CdCl3- 296 - Cd+2 + 3Cl- = CdCl3- - log_k 2.4 + Cd+2 + 3 Cl- = CdCl3- + log_k 2.4 delta_h 3.9 kcal #CdF+ 297 - Cd+2 + F- = CdF+ - log_k 1.1 + Cd+2 + F- = CdF+ + log_k 1.1 #CdF2 298 - Cd+2 + 2F- = CdF2 - log_k 1.5 + Cd+2 + 2 F- = CdF2 + log_k 1.5 #Cd(CO3)2-2 299 - Cd+2 + 2CO3-2 = Cd(CO3)2-2 - log_k 6.4 + Cd+2 + 2 CO3-2 = Cd(CO3)2-2 + log_k 6.4 #CdOH+ 300 - Cd+2 + H2O = CdOH+ + H+ - log_k -10.08 + Cd+2 + H2O = CdOH+ + H+ + log_k -10.08 delta_h 13.1 kcal #Cd(OH)2 301 - Cd+2 + 2H2O = Cd(OH)2 + 2H+ - log_k -20.35 + Cd+2 + 2 H2O = Cd(OH)2 + 2 H+ + log_k -20.35 #Cd(OH)3- 302 - Cd+2 + 3H2O = Cd(OH)3- + 3H+ - log_k -33.3 + Cd+2 + 3 H2O = Cd(OH)3- + 3 H+ + log_k -33.3 #Cd(OH)4-2 303 - Cd+2 + 4H2O = Cd(OH)4-2 + 4H+ - log_k -47.35 + Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+ + log_k -47.35 #Cd2OH+3 304 - 2Cd+2 + H2O = Cd2OH+3 + H+ - log_k -9.39 + 2 Cd+2 + H2O = Cd2OH+3 + H+ + log_k -9.39 delta_h 10.9 kcal #CdOHCl 305 - Cd+2 + H2O + Cl- = CdOHCl + H+ - log_k -7.404 + Cd+2 + H2O + Cl- = CdOHCl + H+ + log_k -7.404 delta_h 4.355 kcal #CdNO3+ 306 Cd+2 + NO3- = CdNO3+ - log_k 0.4 + log_k 0.4 delta_h -5.2 kcal #CdSO4 307 - Cd+2 + SO4-2 = CdSO4 - log_k 2.46 + Cd+2 + SO4-2 = CdSO4 + log_k 2.46 delta_h 1.08 kcal #CdHS+ 308 - Cd+2 + HS- = CdHS+ - log_k 10.17 + Cd+2 + HS- = CdHS+ + log_k 10.17 #Cd(HS)2 309 - Cd+2 + 2HS- = Cd(HS)2 - log_k 16.53 + Cd+2 + 2 HS- = Cd(HS)2 + log_k 16.53 #Cd(HS)3- 310 - Cd+2 + 3HS- = Cd(HS)3- - log_k 18.71 + Cd+2 + 3 HS- = Cd(HS)3- + log_k 18.71 #Cd(HS)4-2 311 - Cd+2 + 4HS- = Cd(HS)4-2 - log_k 20.9 + Cd+2 + 4 HS- = Cd(HS)4-2 + log_k 20.9 #Fe(SO4)2- 333 - Fe+3 + 2SO4-2 = Fe(SO4)2- - log_k 5.38 + Fe+3 + 2 SO4-2 = Fe(SO4)2- + log_k 5.38 delta_h 4.6 kcal #Fe2(OH)2+4 334 - 2Fe+3 + 2H2O = Fe2(OH)2+4 + 2H+ - log_k -2.95 + 2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+ + log_k -2.95 delta_h 13.5 kcal #Fe3(OH)4+5 335 - 3Fe+3 + 4H2O = Fe3(OH)4+5 + 4H+ - log_k -6.3 + 3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+ + log_k -6.3 delta_h 14.3 kcal #PbCl+ 341 - Pb+2 + Cl- = PbCl+ - log_k 1.6 + Pb+2 + Cl- = PbCl+ + log_k 1.6 delta_h 4.38 kcal #PbCl2 342 - Pb+2 + 2Cl- = PbCl2 - log_k 1.8 + Pb+2 + 2 Cl- = PbCl2 + log_k 1.8 delta_h 1.08 kcal #PbCl3- 343 - Pb+2 + 3Cl- = PbCl3- - log_k 1.7 + Pb+2 + 3 Cl- = PbCl3- + log_k 1.7 delta_h 2.17 kcal #PbCl4-2 344 - Pb+2 + 4Cl- = PbCl4-2 - log_k 1.38 + Pb+2 + 4 Cl- = PbCl4-2 + log_k 1.38 delta_h 3.53 kcal #Pb(CO3)2-2 345 - Pb+2 + 2CO3-2 = Pb(CO3)2-2 - log_k 10.64 + Pb+2 + 2 CO3-2 = Pb(CO3)2-2 + log_k 10.64 #PbF+ 346 - Pb+2 + F- = PbF+ - log_k 1.25 + Pb+2 + F- = PbF+ + log_k 1.25 #PbF2 347 - Pb+2 + 2F- = PbF2 - log_k 2.56 + Pb+2 + 2 F- = PbF2 + log_k 2.56 #PbF3- 348 - Pb+2 + 3F- = PbF3- - log_k 3.42 + Pb+2 + 3 F- = PbF3- + log_k 3.42 #PbF4-2 349 - Pb+2 + 4F- = PbF4-2 - log_k 3.1 + Pb+2 + 4 F- = PbF4-2 + log_k 3.1 #PbOH+ 350 - Pb+2 + H2O = PbOH+ + H+ - log_k -7.71 + Pb+2 + H2O = PbOH+ + H+ + log_k -7.71 #Pb(OH)2 351 - Pb+2 + 2H2O = Pb(OH)2 + 2H+ - log_k -17.12 + Pb+2 + 2 H2O = Pb(OH)2 + 2 H+ + log_k -17.12 #Pb(OH)3- 352 - Pb+2 + 3H2O = Pb(OH)3- + 3H+ - log_k -28.06 + Pb+2 + 3 H2O = Pb(OH)3- + 3 H+ + log_k -28.06 #Pb2OH+3 353 - 2Pb+2 + H2O = Pb2OH+3 + H+ - log_k -6.36 + 2 Pb+2 + H2O = Pb2OH+3 + H+ + log_k -6.36 #PbNO3+ 354 Pb+2 + NO3- = PbNO3+ - log_k 1.17 + log_k 1.17 #PbSO4 355 - Pb+2 + SO4-2 = PbSO4 - log_k 2.75 + Pb+2 + SO4-2 = PbSO4 + log_k 2.75 #Pb(HS)2 356 - Pb+2 + 2HS- = Pb(HS)2 - log_k 15.27 + Pb+2 + 2 HS- = Pb(HS)2 + log_k 15.27 #Pb(HS)3- 357 - Pb+2 + 3HS- = Pb(HS)3- - log_k 16.57 + Pb+2 + 3 HS- = Pb(HS)3- + log_k 16.57 #Pb3(OH)4+2 358 - 3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+ - log_k -23.88 + 3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+ + log_k -23.88 delta_h 26.5 kcal #FeF+ 359 - Fe+2 + F- = FeF+ - log_k 1.0 + Fe+2 + F- = FeF+ + log_k 1 #AlHSO4+2 397 - Al+3 + HSO4- = AlHSO4+2 - log_k 0.46 + Al+3 + HSO4- = AlHSO4+2 + log_k 0.46 #NO2 secondary master species 400 - NO3- + 2H+ + 2e- = NO2- + H2O - log_k 28.57 + NO3- + 2 H+ + 2 e- = NO2- + H2O + log_k 28.57 delta_h -43.76 kcal #NiBr+ 403 - Ni+2 + Br- = NiBr+ - log_k 0.5 + Ni+2 + Br- = NiBr+ + log_k 0.5 #NiCl+ 404 - Ni+2 + Cl- = NiCl+ - log_k 0.4 + Ni+2 + Cl- = NiCl+ + log_k 0.4 #NiF+ 405 - Ni+2 + F- = NiF+ - log_k 1.3 + Ni+2 + F- = NiF+ + log_k 1.3 #NiOH+ 406 - Ni+2 + H2O = NiOH+ + H+ - log_k -9.86 + Ni+2 + H2O = NiOH+ + H+ + log_k -9.86 delta_h 12.42 kcal #Ni(OH)2 407 - Ni+2 + 2H2O = Ni(OH)2 + 2H+ - log_k -19.0 + Ni+2 + 2 H2O = Ni(OH)2 + 2 H+ + log_k -19 #Ni(OH)3- 408 - Ni+2 + 3H2O = Ni(OH)3- + 3H+ - log_k -30.0 + Ni+2 + 3 H2O = Ni(OH)3- + 3 H+ + log_k -30 #NiSO4 409 - Ni+2 + SO4-2 = NiSO4 - log_k 2.29 + Ni+2 + SO4-2 = NiSO4 + log_k 2.29 delta_h 1.52 kcal #AgBr 421 Ag+ + Br- = AgBr - log_k 4.24 + log_k 4.24 #AgBr2- 422 - Ag+ + 2Br- = AgBr2- - log_k 7.28 + Ag+ + 2 Br- = AgBr2- + log_k 7.28 #AgCl 423 Ag+ + Cl- = AgCl - log_k 3.27 + log_k 3.27 delta_h -2.68 kcal #AgCl2- 424 - Ag+ + 2Cl- = AgCl2- - log_k 5.27 + Ag+ + 2 Cl- = AgCl2- + log_k 5.27 delta_h -3.93 kcal #AgCl3-2 425 - Ag+ + 3Cl- = AgCl3-2 - log_k 5.29 + Ag+ + 3 Cl- = AgCl3-2 + log_k 5.29 #AgCl4-3 426 - Ag+ + 4Cl- = AgCl4-3 - log_k 5.51 + Ag+ + 4 Cl- = AgCl4-3 + log_k 5.51 #AgF 427 Ag+ + F- = AgF - log_k 0.36 + log_k 0.36 delta_h -2.83 kcal #AgHS 428 - Ag+ + HS- = AgHS - log_k 14.05 + Ag+ + HS- = AgHS + log_k 14.05 #Ag(HS)2- 429 - Ag+ + 2HS- = Ag(HS)2- - log_k 18.45 + Ag+ + 2 HS- = Ag(HS)2- + log_k 18.45 #AgI 430 Ag+ + I- = AgI - log_k 6.6 + log_k 6.6 #AgI2- 431 - Ag+ + 2I- = AgI2- - log_k 10.68 + Ag+ + 2 I- = AgI2- + log_k 10.68 #AgOH 432 - Ag+ + H2O = AgOH + H+ - log_k -12.0 + Ag+ + H2O = AgOH + H+ + log_k -12 #Ag(OH)2- 433 - Ag+ + 2H2O = Ag(OH)2- + 2H+ - log_k -24.0 + Ag+ + 2 H2O = Ag(OH)2- + 2 H+ + log_k -24 #AgSO4- 434 Ag+ + SO4-2 = AgSO4- - log_k 1.29 + log_k 1.29 delta_h 1.49 kcal #AgNO3 435 Ag+ + NO3- = AgNO3 - log_k -0.29 + log_k -0.29 #Ag(NO2)2- 436 - Ag+ + 2NO2- = Ag(NO2)2- - log_k 2.22 + Ag+ + 2 NO2- = Ag(NO2)2- + log_k 2.22 #ZnBr+ 447 - Zn+2 + Br- = ZnBr+ - log_k -0.58 + Zn+2 + Br- = ZnBr+ + log_k -0.58 #ZnBr2 448 - Zn+2 + 2Br- = ZnBr2 - log_k -0.98 + Zn+2 + 2 Br- = ZnBr2 + log_k -0.98 #ZnI+ 449 - Zn+2 + I- = ZnI+ - log_k -2.91 + Zn+2 + I- = ZnI+ + log_k -2.91 #ZnI2 450 - Zn+2 + 2I- = ZnI2 - log_k -1.69 + Zn+2 + 2 I- = ZnI2 + log_k -1.69 #CdBr+ 451 - Cd+2 + Br- = CdBr+ - log_k 2.17 + Cd+2 + Br- = CdBr+ + log_k 2.17 delta_h -0.81 kcal #CdBr2 452 - Cd+2 + 2Br- = CdBr2 - log_k 2.9 + Cd+2 + 2 Br- = CdBr2 + log_k 2.9 #CdI+ 453 - Cd+2 + I- = CdI+ - log_k 2.15 + Cd+2 + I- = CdI+ + log_k 2.15 delta_h -2.37 kcal #CdI2 454 - Cd+2 + 2I- = CdI2 - log_k 3.59 + Cd+2 + 2 I- = CdI2 + log_k 3.59 #PbBr+ 455 - Pb+2 + Br- = PbBr+ - log_k 1.77 + Pb+2 + Br- = PbBr+ + log_k 1.77 delta_h 2.88 kcal #PbBr2 456 - Pb+2 + 2Br- = PbBr2 - log_k 1.44 + Pb+2 + 2 Br- = PbBr2 + log_k 1.44 #PbI+ 457 - Pb+2 + I- = PbI+ - log_k 1.94 + Pb+2 + I- = PbI+ + log_k 1.94 #PbI2 458 - Pb+2 + 2I- = PbI2 - log_k 3.2 + Pb+2 + 2 I- = PbI2 + log_k 3.2 #PbCO3 468 - Pb+2 + CO3-2 = PbCO3 - log_k 7.24 + Pb+2 + CO3-2 = PbCO3 + log_k 7.24 #Pb(OH)4-2 469 - Pb+2 + 4H2O = Pb(OH)4-2 + 4H+ - log_k -39.7 + Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+ + log_k -39.7 #Pb(SO4)2-2 470 - Pb+2 + 2SO4-2 = Pb(SO4)2-2 - log_k 3.47 + Pb+2 + 2 SO4-2 = Pb(SO4)2-2 + log_k 3.47 #AgBr3-2 473 - Ag+ + 3Br- = AgBr3-2 - log_k 8.71 + Ag+ + 3 Br- = AgBr3-2 + log_k 8.71 #AgI3-2 474 - Ag+ + 3I- = AgI3-2 - log_k 13.37 + Ag+ + 3 I- = AgI3-2 + log_k 13.37 delta_h -27.03 kcal #AgI4-3 475 - Ag+ + 4I- = AgI4-3 - log_k 14.08 + Ag+ + 4 I- = AgI4-3 + log_k 14.08 #Fe(HS)2 476 - Fe+2 + 2HS- = Fe(HS)2 - log_k 8.95 + Fe+2 + 2 HS- = Fe(HS)2 + log_k 8.95 #Fe(HS)3- 477 - Fe+2 + 3HS- = Fe(HS)3- - log_k 10.987 + Fe+2 + 3 HS- = Fe(HS)3- + log_k 10.987 #H2AsO3- 478 H3AsO3 = H2AsO3- + H+ - log_k -9.15 - delta_h 27.54 kJ + log_k -9.15 + delta_h 27.54 kJ #HAsO3-2 479 - H3AsO3 = HAsO3-2 + 2H+ - log_k -23.85 - delta_h 59.41 kJ + H3AsO3 = HAsO3-2 + 2 H+ + log_k -23.85 + delta_h 59.41 kJ #AsO3-3 480 - H3AsO3 = AsO3-3 + 3H+ - log_k -39.55 - delta_h 84.73 kJ + H3AsO3 = AsO3-3 + 3 H+ + log_k -39.55 + delta_h 84.73 kJ #H4AsO3+ 481 - H3AsO3 + H+ = H4AsO3+ - log_k -0.305 + H3AsO3 + H+ = H4AsO3+ + log_k -0.305 #H2AsO4- 482 H3AsO4 = H2AsO4- + H+ - log_k -2.3 - delta_h -7.066 kJ + log_k -2.3 + delta_h -7.066 kJ #HAsO4-2 483 - H3AsO4 = HAsO4-2 + 2H+ - log_k -9.46 - delta_h -3.846 kJ + H3AsO4 = HAsO4-2 + 2 H+ + log_k -9.46 + delta_h -3.846 kJ #AsO43- 484 - H3AsO4 = AsO4-3 + 3H+ - log_k -21.11 - delta_h 14.354 kJ + H3AsO4 = AsO4-3 + 3 H+ + log_k -21.11 + delta_h 14.354 kJ #As3 secondary master species 487 H3AsO4 + H2 = H3AsO3 + H2O - log_k 22.5 - delta_h -117.480344 kJ + log_k 22.5 + delta_h -117.480344 kJ #As3S4(HS)-2 631 - 3H3AsO3 + 6HS- + 5H+ = As3S4(HS)2- + 9H2O - log_k 72.314 - -gamma 5.0 0.0 + 3 H3AsO3 + 6 HS- + 5 H+ = As3S4(HS)2- + 9 H2O + log_k 72.314 + -gamma 5 0 #AsS(OH)(HS)- 637 - H3AsO3 + 2HS- + H+ = AsS(OH)(HS)- + 2H2O - log_k 18.038 - -gamma 5.0 0.0 + H3AsO3 + 2 HS- + H+ = AsS(OH)(HS)- + 2 H2O + log_k 18.038 + -gamma 5 0 # -# TURNING OFF CHECKING FOR EQUATION BALANCE FOR +# TURNING OFF CHECKING FOR EQUATION BALANCE FOR # POLYSULFIDES # @@ -1406,73 +1410,73 @@ SOLUTION_SPECIES # Cu+2 + 2HS- + e- = CuS4S5-3 + 2H+ # (lhs) +7S # log_k 5.382 # -no_check -# -mass_balance CuS(-2)9 +# -mass_balance CuS(-2)9 # -gamma 25.0 0.0 #As3/As5 487 -# H3AsO3 + H2O = H3AsO4 + 2H+ + 2e- +# H3AsO3 + H2O = H3AsO4 + 2H+ + 2e- # log_k -18.897 # delta_h 30.015 kcal #S2-2 502 - HS- = S2-2 + H+ # (lhs) +S - log_k -14.528 + HS- = S2-2 + H+ # (lhs) +S + log_k -14.528 delta_h 11.4 kcal -no_check - -mass_balance S(-2)2 - -gamma 6.5 0.0 + -mass_balance S(-2)2 + -gamma 6.5 0 #S3-2 503 - HS- = S3-2 + H+ # (lhs) +2S - log_k -13.282 + HS- = S3-2 + H+ # (lhs) +2S + log_k -13.282 delta_h 10.4 kcal -no_check - -mass_balance S(-2)3 - -gamma 8.0 0.0 + -mass_balance S(-2)3 + -gamma 8 0 #S4-2 504 - HS- = S4-2 + H+ # (lhs) +3S - log_k -9.829 + HS- = S4-2 + H+ # (lhs) +3S + log_k -9.829 delta_h 9.7 kcal -no_check - -mass_balance S(-2)4 - -gamma 10.0 0.0 + -mass_balance S(-2)4 + -gamma 10 0 #S5-2 505 - HS- = S5-2 + H+ # (lhs) +4S - log_k -9.595 + HS- = S5-2 + H+ # (lhs) +4S + log_k -9.595 delta_h 9.3 kcal -no_check - -mass_balance S(-2)5 - -gamma 12.0 0.0 + -mass_balance S(-2)5 + -gamma 12 0 #S6-2 506 - HS- = S6-2 + H+ # (lhs) +5S - log_k -9.881 + HS- = S6-2 + H+ # (lhs) +5S + log_k -9.881 -no_check - -mass_balance S(-2)6 - -gamma 14.0 0.0 + -mass_balance S(-2)6 + -gamma 14 0 #Ag(S4)2-3 507 - Ag+ + 2HS- = Ag(S4)2-3 + 2H+ # (lhs) +6S - log_k 0.991 + Ag+ + 2 HS- = Ag(S4)2-3 + 2 H+ # (lhs) +6S + log_k 0.991 -no_check - -mass_balance AgS(-2)8 - -gamma 22.0 0.0 + -mass_balance AgS(-2)8 + -gamma 22 0 #Ag(S4)S5-3 508 - Ag+ + 2HS- = Ag(S4)S5-3 + 2H+ # (lhs) +7S - log_k 0.68 + Ag+ + 2 HS- = Ag(S4)S5-3 + 2 H+ # (lhs) +7S + log_k 0.68 -no_check - -mass_balance AgS(-2)9 - -gamma 24.0 0.0 + -mass_balance AgS(-2)9 + -gamma 24 0 #AgHS(S4)-2 509 # (lhs) +3S - Ag+ + 2HS- = AgHS(S4)-2 + H+ - log_k 10.43 + Ag+ + 2 HS- = AgHS(S4)-2 + H+ + log_k 10.43 -no_check - -mass_balance AgHS(-2)5 - -gamma 15.0 0.0 + -mass_balance AgHS(-2)5 + -gamma 15 0 # # END OF POLYSULFIDES @@ -1480,99 +1484,99 @@ SOLUTION_SPECIES #CuHCO3+ 510 Cu+2 + HCO3- = CuHCO3+ - log_k 2.7 + log_k 2.7 #ZnHCO3+ 511 Zn+2 + HCO3- = ZnHCO3+ - log_k 2.1 + log_k 2.1 #ZnCO3 512 - Zn+2 + CO3-2 = ZnCO3 - log_k 5.3 + Zn+2 + CO3-2 = ZnCO3 + log_k 5.3 #Zn(CO3)2-2 513 - Zn+2 + 2CO3-2 = Zn(CO3)2-2 - log_k 9.63 + Zn+2 + 2 CO3-2 = Zn(CO3)2-2 + log_k 9.63 #CdHCO3 514 Cd+2 + HCO3- = CdHCO3+ - log_k 1.5 + log_k 1.5 #CdCO3 515 - Cd+2 + CO3-2 = CdCO3 - log_k 2.9 + Cd+2 + CO3-2 = CdCO3 + log_k 2.9 #Cd(SO4)2-2 516 - Cd+2 + 2SO4-2 = Cd(SO4)2-2 - log_k 3.5 + Cd+2 + 2 SO4-2 = Cd(SO4)2-2 + log_k 3.5 #PbHCO3+ 517 Pb+2 + HCO3- = PbHCO3+ - log_k 2.9 + log_k 2.9 #NiCl2 518 - Ni+2 + 2Cl- = NiCl2 - log_k 0.96 + Ni+2 + 2 Cl- = NiCl2 + log_k 0.96 #NiHCO3+ 519 Ni+2 + HCO3- = NiHCO3+ - log_k 2.14 + log_k 2.14 #NiCO3 520 - Ni+2 + CO3-2 = NiCO3 - log_k 6.87 + Ni+2 + CO3-2 = NiCO3 + log_k 6.87 #Ni(CO3)2-2 521 - Ni+2 + 2CO3-2 = Ni(CO3)2-2 - log_k 10.11 + Ni+2 + 2 CO3-2 = Ni(CO3)2-2 + log_k 10.11 #Ni(SO4)2-2 522 - Ni+2 + 2SO4-2 = Ni(SO4)2-2 - log_k 1.02 + Ni+2 + 2 SO4-2 = Ni(SO4)2-2 + log_k 1.02 #HFulvate 523 - H+ + Fulvate-2 = HFulvate- - log_k 4.27 + H+ + Fulvate-2 = HFulvate- + log_k 4.27 #HHumate 524 - H+ + Humate-2 = HHumate- - log_k 4.27 + H+ + Humate-2 = HHumate- + log_k 4.27 #FeFulvate 525 - Fe+3 + Fulvate-2 = FeFulvate+ - log_k 9.4 + Fe+3 + Fulvate-2 = FeFulvate+ + log_k 9.4 #FeHumate 526 - Fe+3 + Humate-2 = FeHumate+ - log_k 9.4 + Fe+3 + Humate-2 = FeHumate+ + log_k 9.4 #CuFulvate 527 Cu+2 + Fulvate-2 = CuFulvate - log_k 6.2 + log_k 6.2 #CuHumate 528 Cu+2 + Humate-2 = CuHumate - log_k 6.2 + log_k 6.2 #CdFulvate 529 Cd+2 + Fulvate-2 = CdFulvate - log_k 3.5 + log_k 3.5 #CdHumate 530 Cd+2 + Humate-2 = CdHumate - log_k 3.5 + log_k 3.5 #AgFulvate 531 - Ag+ + Fulvate-2 = AgFulvate- - log_k 2.4 + Ag+ + Fulvate-2 = AgFulvate- + log_k 2.4 #AgHumate 532 - Ag+ + Humate-2 = AgHumate- - log_k 2.4 + Ag+ + Humate-2 = AgHumate- + log_k 2.4 #H2F2 537 - 2H+ + 2F- = H2F2 - log_k 6.768 + 2 H+ + 2 F- = H2F2 + log_k 6.768 #peS/H2S 538 # S + 2H+ + 2e- = H2S @@ -1580,1969 +1584,1969 @@ SOLUTION_SPECIES #NaF 540 Na+ + F- = NaF - log_k -0.24 + log_k -0.24 #FeCl+ 542 - Fe+2 + Cl- = FeCl+ - log_k 0.14 - -gamma 5.0 0.0 + Fe+2 + Cl- = FeCl+ + log_k 0.14 + -gamma 5 0 #BaSO4 543 - Ba+2 + SO4-2 = BaSO4 - log_k 2.7 + Ba+2 + SO4-2 = BaSO4 + log_k 2.7 #HSe- secondary master species 549 - SeO3-2 + 7H+ + 6e- = HSe- + 3H2O - log_k 42.514 + SeO3-2 + 7 H+ + 6 e- = HSe- + 3 H2O + log_k 42.514 #H2Se 544 - HSe- + H+ = H2Se - log_k 3.8 + HSe- + H+ = H2Se + log_k 3.8 delta_h -5.3 kcal #SeO3-2 secondary master species 548 - SeO4-2 + 2H+ + 2e- = SeO3-2 + H2O - log_k 30.256 + SeO4-2 + 2 H+ + 2 e- = SeO3-2 + H2O + log_k 30.256 #H2SeO3 545 - SeO3-2 + 2H+ = H2SeO3 - log_k 11.25 + SeO3-2 + 2 H+ = H2SeO3 + log_k 11.25 #HSeO3- 546 SeO3-2 + H+ = HSeO3- - log_k 8.5 + log_k 8.5 #HSeO4- 547 SeO4-2 + H+ = HSeO4- - log_k 1.66 + log_k 1.66 delta_h 4.91 kcal #Se4/Se6 548 -# SeO3-2 + H2O = SeO4-2 + 2H+ + 2e- +# SeO3-2 + H2O = SeO4-2 + 2H+ + 2e- # -30.256 0.0 #Se4/Se-2 549 -# SeO3-2 + 7H+ + 6e- = HSe- + 3H2O +# SeO3-2 + 7H+ + 6e- = HSe- + 3H2O # 42.514 0.0 #As3/As 557 -# H3AsO3 + 3H+ + 3e- = As + 3H2O +# H3AsO3 + 3H+ + 3e- = As + 3H2O # 12.170 0.0 #FeHCO3+ 558 Fe+2 + HCO3- = FeHCO3+ - log_k 2.0 + log_k 2 #FeCO3 559 - Fe+2 + CO3-2 = FeCO3 - log_k 4.38 + Fe+2 + CO3-2 = FeCO3 + log_k 4.38 #MnCO3 560 - Mn+2 + CO3-2 = MnCO3 - log_k 4.9 + Mn+2 + CO3-2 = MnCO3 + log_k 4.9 #BaHCO3+ 561 Ba+2 + HCO3- = BaHCO3+ - log_k 0.982 + log_k 0.982 delta_h 5.56 kcal - -analytical -3.0938 0.013669 0.0 0.0 0.0 + -analytical -3.0938 0.013669 0 0 0 #BaCO3 562 - Ba+2 + CO3-2 = BaCO3 - log_k 2.71 + Ba+2 + CO3-2 = BaCO3 + log_k 2.71 delta_h 3.55 kcal - -analytical 0.113 0.008721 0.0 0.0 0.0 + -analytical 0.113 0.008721 0 0 0 #SrSO4 563 - Sr+2 + SO4-2 = SrSO4 - log_k 2.29 + Sr+2 + SO4-2 = SrSO4 + log_k 2.29 delta_h 2.08 kcal #U+4 secondary master species 565 - UO2+2 + 4H+ + 2e- = U+4 + 2H2O - log_k 9.04 + UO2+2 + 4 H+ + 2 e- = U+4 + 2 H2O + log_k 9.04 delta_h -34.43 kcal #U+3 secondary master species 566 - U+4 + e- = U+3 - log_k -8.796 + U+4 + e- = U+3 + log_k -8.796 delta_h 24.4 kcal #UOH+3 567 - U+4 + H2O = UOH+3 + H+ - log_k -0.54 + U+4 + H2O = UOH+3 + H+ + log_k -0.54 delta_h 11.21 kcal #U(OH)2+2 568 - U+4 + 2H2O = U(OH)2+2 + 2H+ - log_k -2.27 + U+4 + 2 H2O = U(OH)2+2 + 2 H+ + log_k -2.27 delta_h 17.73 kcal #U(OH)3+ 569 - U+4 + 3H2O = U(OH)3+ + 3H+ - log_k -4.935 + U+4 + 3 H2O = U(OH)3+ + 3 H+ + log_k -4.935 delta_h 22.645 kcal #U(OH)4 570 - U+4 + 4H2O = U(OH)4 + 4H+ - log_k -8.498 + U+4 + 4 H2O = U(OH)4 + 4 H+ + log_k -8.498 delta_h 24.76 kcal #U6(OH)15+9 572 - 6U+4 + 15H2O = U6(OH)15+9 + 15H+ - log_k -17.2 + 6 U+4 + 15 H2O = U6(OH)15+9 + 15 H+ + log_k -17.2 #UF+3 578 - U+4 + F- = UF+3 - log_k 9.3 + U+4 + F- = UF+3 + log_k 9.3 delta_h -1.3 kcal #UF2+2 579 - U+4 + 2F- = UF2+2 - log_k 16.22 + U+4 + 2 F- = UF2+2 + log_k 16.22 delta_h -0.8 kcal #UF3+ 580 - U+4 + 3F- = UF3+ - log_k 21.6 + U+4 + 3 F- = UF3+ + log_k 21.6 delta_h 0.1 kcal #UF4 581 - U+4 + 4F- = UF4 - log_k 25.5 + U+4 + 4 F- = UF4 + log_k 25.5 delta_h -0.87 kcal #UF5- 582 - U+4 + 5F- = UF5- - log_k 27.01 + U+4 + 5 F- = UF5- + log_k 27.01 delta_h 4.85 kcal #UF6-2 583 - U+4 + 6F- = UF6-2 - log_k 29.1 + U+4 + 6 F- = UF6-2 + log_k 29.1 delta_h 3.3 kcal #UCl+3 586 - U+4 + Cl- = UCl+3 - log_k 1.72 + U+4 + Cl- = UCl+3 + log_k 1.72 delta_h -4.54 kcal #USO4+2 587 - U+4 + SO4-2 = USO4+2 - log_k 6.58 + U+4 + SO4-2 = USO4+2 + log_k 6.58 delta_h 1.9 kcal #U(SO4)2 588 - U+4 + 2SO4-2 = U(SO4)2 - log_k 10.5 + U+4 + 2 SO4-2 = U(SO4)2 + log_k 10.5 delta_h 7.8 kcal #U(CO3)4-4 589 - U+4 + 4CO3-2 = U(CO3)4-4 - log_k 32.9 + U+4 + 4 CO3-2 = U(CO3)4-4 + log_k 32.9 #U(CO3)5-6 590 - U+4 + 5CO3-2 = U(CO3)5-6 - log_k 34.0 - delta_h 20.0 kcal + U+4 + 5 CO3-2 = U(CO3)5-6 + log_k 34 + delta_h 20 kcal #UO2+ secondary master species 595 - UO2+2 + e- = UO2+ - log_k 1.49 + UO2+2 + e- = UO2+ + log_k 1.49 delta_h -3.3 kcal #UO2OH+ 596 - UO2+2 + H2O = UO2OH+ + H+ - log_k -5.2 + UO2+2 + H2O = UO2OH+ + H+ + log_k -5.2 delta_h 11.015 kcal #(UO2)2(OH)2+2 597 - 2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+ - log_k -5.62 + 2 UO2+2 + 2 H2O = (UO2)2(OH)2+2 + 2 H+ + log_k -5.62 delta_h 10.23 kcal #(UO2)3(OH)5+ 598 - 3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+ - log_k -15.55 + 3 UO2+2 + 5 H2O = (UO2)3(OH)5+ + 5 H+ + log_k -15.55 delta_h 25.075 kcal #UO2CO3 603 - UO2+2 + CO3-2 = UO2CO3 - log_k 9.63 + UO2+2 + CO3-2 = UO2CO3 + log_k 9.63 delta_h 1.2 kcal #UO2(CO3)2-2 604 - UO2+2 + 2CO3-2 = UO2(CO3)2-2 - log_k 17.0 + UO2+2 + 2 CO3-2 = UO2(CO3)2-2 + log_k 17 delta_h 4.42 kcal #UO2(CO3)3-4 605 - UO2+2 + 3CO3-2 = UO2(CO3)3-4 - log_k 21.63 + UO2+2 + 3 CO3-2 = UO2(CO3)3-4 + log_k 21.63 delta_h -9.13 kcal #UO2F+ 607 - UO2+2 + F- = UO2F+ - log_k 5.09 + UO2+2 + F- = UO2F+ + log_k 5.09 delta_h 0.41 kcal #UO2F2 608 - UO2+2 + 2F- = UO2F2 - log_k 8.62 + UO2+2 + 2 F- = UO2F2 + log_k 8.62 delta_h 0.5 kcal #UO2F3- 609 - UO2+2 + 3F- = UO2F3- - log_k 10.9 + UO2+2 + 3 F- = UO2F3- + log_k 10.9 delta_h 0.56 kcal #UO2F4-2 610 - UO2+2 + 4F- = UO2F4-2 - log_k 11.7 + UO2+2 + 4 F- = UO2F4-2 + log_k 11.7 delta_h 0.07 kcal #UO2Cl+ 611 - UO2+2 + Cl- = UO2Cl+ - log_k 0.17 + UO2+2 + Cl- = UO2Cl+ + log_k 0.17 delta_h 1.9 kcal #UO2SO4 612 - UO2+2 + SO4-2 = UO2SO4 - log_k 3.15 + UO2+2 + SO4-2 = UO2SO4 + log_k 3.15 delta_h 4.7 kcal #UO2(SO4)2-2 613 - UO2+2 + 2SO4-2 = UO2(SO4)2-2 - log_k 4.14 + UO2+2 + 2 SO4-2 = UO2(SO4)2-2 + log_k 4.14 delta_h 8.4 kcal #UO2HPO4 614 - UO2+2 + PO4-3 + H+ = UO2HPO4 - log_k 20.21 + UO2+2 + PO4-3 + H+ = UO2HPO4 + log_k 20.21 delta_h -2.1 kcal #UO2(HPO4)2-2 615 - UO2+2 + 2PO4-3 + 2H+ = UO2(HPO4)2-2 - log_k 43.441 + UO2+2 + 2 PO4-3 + 2 H+ = UO2(HPO4)2-2 + log_k 43.441 delta_h -11.8 kcal #UO2H2PO4+ 616 - UO2+2 + PO4-3 + 2H+ = UO2H2PO4+ - log_k 22.87 + UO2+2 + PO4-3 + 2 H+ = UO2H2PO4+ + log_k 22.87 delta_h -3.7 kcal #UO2H2PO4)2 617 - UO2+2 + 2PO4-3 + 4H+ = UO2(H2PO4)2 - log_k 44.38 + UO2+2 + 2 PO4-3 + 4 H+ = UO2(H2PO4)2 + log_k 44.38 delta_h -16.5 kcal #UO2H2PO4)3- 618 - UO2+2 + 3PO4-3 + 6H+ = UO2(H2PO4)3- - log_k 66.245 + UO2+2 + 3 PO4-3 + 6 H+ = UO2(H2PO4)3- + log_k 66.245 delta_h -28.6 kcal #UBr+3 633 - U+4 + Br- = UBr+3 - log_k 1.5 + U+4 + Br- = UBr+3 + log_k 1.5 #UI+3 634 - U+4 + I- = UI+3 - log_k 1.3 + U+4 + I- = UI+3 + log_k 1.3 #UNO3+3 635 - U+4 + NO3- = UNO3+3 - log_k 1.47 + U+4 + NO3- = UNO3+3 + log_k 1.47 #U(NO3)2+2 636 - U+4 + 2NO3- = U(NO3)2+2 - log_k 2.3 + U+4 + 2 NO3- = U(NO3)2+2 + log_k 2.3 #UO2(OH)3- 638 - UO2+2 + 3H2O = UO2(OH)3- + 3H+ - log_k -19.2 + UO2+2 + 3 H2O = UO2(OH)3- + 3 H+ + log_k -19.2 #UO2(OH)4-2 639 - UO2+2 + 4H2O = UO2(OH)4-2 + 4H+ - log_k -33.0 + UO2+2 + 4 H2O = UO2(OH)4-2 + 4 H+ + log_k -33 #(UO2)2OH+3 640 - 2UO2+2 + H2O = (UO2)2OH+3 + H+ - log_k -2.7 + 2 UO2+2 + H2O = (UO2)2OH+3 + H+ + log_k -2.7 #(UO2)3(OH)4+2 641 - 3UO2+2 + 4H2O = (UO2)3(OH)4+2 + 4H+ - log_k -11.9 + 3 UO2+2 + 4 H2O = (UO2)3(OH)4+2 + 4 H+ + log_k -11.9 #(UO2)3(OH)7- 642 - 3UO2+2 + 7H2O = (UO2)3(OH)7- + 7H+ - log_k -31.0 + 3 UO2+2 + 7 H2O = (UO2)3(OH)7- + 7 H+ + log_k -31 #(UO2)4(OH)7+ 643 - 4UO2+2 + 7H2O = (UO2)4(OH)7+ + 7H+ - log_k -21.9 + 4 UO2+2 + 7 H2O = (UO2)4(OH)7+ + 7 H+ + log_k -21.9 #UO2Cl2 644 - UO2+2 + 2Cl- = UO2Cl2 - log_k -1.1 + UO2+2 + 2 Cl- = UO2Cl2 + log_k -1.1 delta_h 3.6 kcal #UO2Br+ 645 - UO2+2 + Br- = UO2Br+ - log_k 0.22 + UO2+2 + Br- = UO2Br+ + log_k 0.22 #UO2NO3+ 646 - UO2+2 + NO3- = UO2NO3+ - log_k 0.3 + UO2+2 + NO3- = UO2NO3+ + log_k 0.3 #UO2H3PO4+2 647 - UO2+2 + PO4-3 + 3H+ = UO2H3PO4+2 - log_k 22.813 + UO2+2 + PO4-3 + 3 H+ = UO2H3PO4+2 + log_k 22.813 #(UO2)3(CO3)6-6 648 - 3UO2+2 + 6CO3-2 = (UO2)3(CO3)6-6 - log_k 54.0 + 3 UO2+2 + 6 CO3-2 = (UO2)3(CO3)6-6 + log_k 54 #UO2PO4- 649 UO2+2 + PO4-3 = UO2PO4- - log_k 13.69 + log_k 13.69 #UO2(CO3)3-5 650 -# UO2+2 + 3CO3-2 + e- = UO2(CO3)3-5 +# UO2+2 + 3CO3-2 + e- = UO2(CO3)3-5 # log_k 8.920 - UO2+ + 3CO3-2 = UO2(CO3)3-5 - log_k 7.43 + UO2+ + 3 CO3-2 = UO2(CO3)3-5 + log_k 7.43 delta_h 3.33 kcal PHASES H2O(g) H2O = H2O - log_k 1.51 - delta_h -44.03 kJ + log_k 1.51 + delta_h -44.03 kJ # Stumm and Morgan, from NBS and Robie, Hemmingway, and Fischer (1978) -Siderite(d)(3) 9 - FeCO3 = Fe+2 + CO3-2 - log_k -10.45 +Siderite(d)(3) 9 + FeCO3 = Fe+2 + CO3-2 + log_k -10.45 -Magnesite 10 - MgCO3 = Mg+2 + CO3-2 - log_k -8.029 +Magnesite 10 + MgCO3 = Mg+2 + CO3-2 + log_k -8.029 delta_h -6.169 kcal -Dolomite(d) 11 - CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2 - log_k -16.54 +Dolomite(d) 11 + CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 + log_k -16.54 delta_h -11.09 kcal -Calcite 12 - CaCO3 = Ca+2 + CO3-2 - log_k -8.48 +Calcite 12 + CaCO3 = Ca+2 + CO3-2 + log_k -8.48 delta_h -2.297 kcal - -analytical -171.9065 -0.077993 2839.319 71.595 0.0 + -analytical -171.9065 -0.077993 2839.319 71.595 0 -Anhydrite 17 - CaSO4 = Ca+2 + SO4-2 - log_k -4.36 +Anhydrite 17 + CaSO4 = Ca+2 + SO4-2 + log_k -4.36 delta_h -1.71 kcal - -analytical 197.52 0.0 -8669.8 -69.835 0.0 + -analytical 197.52 0 -8669.8 -69.835 0 -Gypsum 18 - CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O - log_k -4.58 +Gypsum 18 + CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O + log_k -4.58 delta_h -0.109 kcal - -analytical 68.2401 0.0 -3221.51 -25.0627 0.0 + -analytical 68.2401 0 -3221.51 -25.0627 0 -Brucite 19 - Mg(OH)2 + 2H+ = Mg+2 + 2H2O - log_k 16.84 +Brucite 19 + Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O + log_k 16.84 delta_h -27.1 kcal -Chrysotile 20 - Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + H2O - log_k 32.2 +Chrysotile 20 + Mg3Si2O5(OH)4 + 6 H+ = 3 Mg+2 + 2 H4SiO4 + H2O + log_k 32.2 delta_h -46.8 kcal - -analytical 13.248 0.0 10217.1 -6.1894 0.0 + -analytical 13.248 0 10217.1 -6.1894 0 -Aragonite 21 - CaCO3 = Ca+2 + CO3-2 - log_k -8.336 +Aragonite 21 + CaCO3 = Ca+2 + CO3-2 + log_k -8.336 delta_h -2.589 kcal - -analytical -171.9773 -0.077993 2903.293 71.595 0.0 + -analytical -171.9773 -0.077993 2903.293 71.595 0 -Forsterite 27 - Mg2SiO4 + 4H+ = 2Mg+2 + H4SiO4 - log_k 28.306 +Forsterite 27 + Mg2SiO4 + 4 H+ = 2 Mg+2 + H4SiO4 + log_k 28.306 delta_h -48.578 kcal -Diopside 28 - CaMgSi2O6 + 4H+ + 2H2O = Ca+2 + Mg+2 + 2H4SiO4 - log_k 19.894 +Diopside 28 + CaMgSi2O6 + 4 H+ + 2 H2O = Ca+2 + Mg+2 + 2 H4SiO4 + log_k 19.894 delta_h -32.348 kcal -Clinoenstatite 29 - MgSiO3 + 2H+ + H2O = Mg+2 + H4SiO4 - log_k 11.342 +Clinoenstatite 29 + MgSiO3 + 2 H+ + H2O = Mg+2 + H4SiO4 + log_k 11.342 delta_h -20.049 kcal -Tremolite 31 - Ca2Mg5Si8O22(OH)2+14H+ +8H2O = 2Ca+2 +5Mg+2 +8H4SiO4 - log_k 56.574 +Tremolite 31 + Ca2Mg5Si8O22(OH)2 + 14 H+ + 8 H2O = 2 Ca+2 + 5 Mg+2 + 8 H4SiO4 + log_k 56.574 delta_h -96.853 kcal -Sepiolite 36 - Mg2Si3O7.5OH:3H2O+0.5H2O+4H+ = 2Mg+2 +3H4SiO4 - log_k 15.76 +Sepiolite 36 + Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4 + log_k 15.76 delta_h -10.7 kcal -Talc 37 - Mg3Si4O10(OH)2+4H2O+6H+=3Mg+2 +4H4SiO4 - log_k 21.399 +Talc 37 + Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4 + log_k 21.399 delta_h -46.352 kcal -Hydromagnesite 38 - Mg5(CO3)4(OH)2:4H2O + 2H+ = 5Mg+2 + 4CO3-2 + 6H2O - log_k -8.762 +Hydromagnesite 38 + Mg5(CO3)4(OH)2:4H2O + 2 H+ = 5 Mg+2 + 4 CO3-2 + 6 H2O + log_k -8.762 delta_h -52.244 kcal -Adularia 39 - KAlSi3O8 + 8H2O = K+ + Al(OH)4- + 3H4SiO4 - log_k -20.573 +Adularia 39 + KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4 + log_k -20.573 delta_h 30.82 kcal -Albite 40 - NaAlSi3O8 + 8H2O = Na+ + Al(OH)4- + 3H4SiO4 - log_k -18.002 +Albite 40 + NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4 + log_k -18.002 delta_h 25.896 kcal -Anorthite 41 - CaAl2Si2O8 + 8H2O = Ca+2 + 2Al(OH)4- + 2H4SiO4 - log_k -19.714 +Anorthite 41 + CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4 + log_k -19.714 delta_h 11.58 kcal -Analcime 42 - NaAlSi2O6:H2O + 5H2O = Na+ + Al(OH)4- + 2H4SiO4 - log_k -12.701 +Analcime 42 + NaAlSi2O6:H2O + 5 H2O = Na+ + Al(OH)4- + 2 H4SiO4 + log_k -12.701 delta_h 18.206 kcal -Kmica 43 - KAl3Si3O10(OH)2+10H+=K+ +3Al+3 +3H4SiO4 - log_k 12.703 +Kmica 43 + KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4 + log_k 12.703 delta_h -59.376 kcal -Phlogopite 44 - KMg3AlSi3O10(OH)2 + 10H+ = K+ + 3Mg+2 + Al+3 + 3H4SiO4 - log_k 43.3 - delta_h -42.30 kcal +Phlogopite 44 + KMg3AlSi3O10(OH)2 + 10 H+ = K+ + 3 Mg+2 + Al+3 + 3 H4SiO4 + log_k 43.3 + delta_h -42.3 kcal -Illite 45 - K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 0.6K+ +0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H+ - log_k -40.267 +Illite 45 + K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2 H2O = 0.6 K+ + 0.25 Mg+2 + 2.3 Al(OH)4- + 3.5 H4SiO4 + 1.2 H+ + log_k -40.267 delta_h 54.684 kcal -Kaolinite 46 - Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O - log_k 7.435 +Kaolinite 46 + Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O + log_k 7.435 delta_h -35.3 kcal -Halloysite 47 - Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O - log_k 12.498 - delta_h -39.920 kcal +Halloysite 47 + Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O + log_k 12.498 + delta_h -39.92 kcal -Beidellite 48 - (NaKMg0.5)0.11Al2.33Si3.67O10(OH)2 + 12H2O = 0.11Na+ + 0.11K+ + 0.055Mg+2 + 2.33Al(OH)4- + 3.67H4SiO4 + 2H+ - log_k -45.272 +Beidellite 48 + (NaKMg0.5)0.11Al2.33Si3.67O10(OH)2 + 12 H2O = 0.11 Na+ + 0.11 K+ + 0.055 Mg+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+ + log_k -45.272 delta_h 60.355 kcal -Chlorite14A 49 - Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O - log_k 68.38 +Chlorite14A 49 + Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O + log_k 68.38 delta_h -151.494 kcal -Alunite 50 - KAl3(SO4)2(OH)6 + 6H+ = K+ + 3Al+3 + 2SO4-2 + 6H2O - log_k -1.4 +Alunite 50 + KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O + log_k -1.4 delta_h -50.25 kcal -Gibbsite 51 - Al(OH)3 + 3H+ = Al+3 + 3H2O - log_k 8.11 +Gibbsite 51 + Al(OH)3 + 3 H+ = Al+3 + 3 H2O + log_k 8.11 delta_h -22.8 kcal -Boehmite 52 - AlOOH + 3H+ = Al+3 + 2H2O - log_k 8.584 +Boehmite 52 + AlOOH + 3 H+ = Al+3 + 2 H2O + log_k 8.584 delta_h -28.181 kcal -Pyrophyllite 53 - Al2Si4O10(OH)2 + 12H2O = 2Al(OH)4- + 4H4SiO4 + 2H+ - log_k -48.314 +Pyrophyllite 53 + Al2Si4O10(OH)2 + 12 H2O = 2 Al(OH)4- + 4 H4SiO4 + 2 H+ + log_k -48.314 -Phillipsite 54 - Na0.5K0.5AlSi3O8:H2O + 7H2O = 0.5Na+ +0.5K+ + Al(OH)4- + 3H4SiO4 - log_k -19.874 +Phillipsite 54 + Na0.5K0.5AlSi3O8:H2O + 7 H2O = 0.5 Na+ + 0.5 K+ + Al(OH)4- + 3 H4SiO4 + log_k -19.874 -Nahcolite 58 +Nahcolite 58 NaHCO3 = Na+ + HCO3- - log_k -0.548 - delta_h 3.720 kcal + log_k -0.548 + delta_h 3.72 kcal -Trona 59 - NaHCO3:Na2CO3:2H2O = 2H2O + 3Na+ + CO3-2 + HCO3- - log_k -0.795 - delta_h -18.0 kcal +Trona 59 + NaHCO3:Na2CO3:2H2O = 2 H2O + 3 Na+ + CO3-2 + HCO3- + log_k -0.795 + delta_h -18 kcal -Natron 60 - Na2CO3:10H2O = 2Na+ + CO3-2 + 10H2O - log_k -1.311 +Natron 60 + Na2CO3:10H2O = 2 Na+ + CO3-2 + 10 H2O + log_k -1.311 delta_h 15.745 kcal -Thermonatrite 61 - Na2CO3:H2O = 2Na+ + CO3-2 + H2O - log_k 0.125 +Thermonatrite 61 + Na2CO3:H2O = 2 Na+ + CO3-2 + H2O + log_k 0.125 delta_h -2.802 kcal -Fluorite 62 - CaF2 = Ca+2 + 2F- - log_k -10.6 +Fluorite 62 + CaF2 = Ca+2 + 2 F- + log_k -10.6 delta_h 4.69 kcal - -analytical 66.348 0.0 -4298.2 -25.271 0.0 + -analytical 66.348 0 -4298.2 -25.271 0 -Montmorillonite-Ca 63 - Ca0.165Al2.33Si3.67O10(OH)2 + 12H2O = 0.165Ca+2 + 2.33Al(OH)4- + 3.67H4SiO4 + 2H+ - log_k -45.027 +Montmorillonite-Ca 63 + Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165 Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+ + log_k -45.027 delta_h 58.373 kcal -Halite 64 - NaCl = Na+ + Cl- - log_k 1.582 +Halite 64 + NaCl = Na+ + Cl- + log_k 1.582 delta_h 0.918 kcal -Thenardite 65 - Na2SO4 = 2Na+ + SO4-2 - log_k -0.179 +Thenardite 65 + Na2SO4 = 2 Na+ + SO4-2 + log_k -0.179 delta_h -0.572 kcal -Mirabilite 66 - Na2SO4:10H2O = 2Na+ + SO4-2 + 10H2O - log_k -1.114 +Mirabilite 66 + Na2SO4:10H2O = 2 Na+ + SO4-2 + 10 H2O + log_k -1.114 delta_h 18.987 kcal -Mackinawite 67 - FeS + H+ = Fe+2 + HS- - log_k -4.648 +Mackinawite 67 + FeS + H+ = Fe+2 + HS- + log_k -4.648 -Siderite 94 - FeCO3 = Fe+2 + CO3-2 - log_k -10.89 +Siderite 94 + FeCO3 = Fe+2 + CO3-2 + log_k -10.89 delta_h -2.48 kcal -Hydroxyapatite 95 - Ca5(PO4)3OH + 4H+ = 5Ca+2 + 3HPO4-2 + H2O - log_k -3.421 +Hydroxyapatite 95 + Ca5(PO4)3OH + 4 H+ = 5 Ca+2 + 3 HPO4-2 + H2O + log_k -3.421 delta_h -36.155 kcal -Fluorapatite 96 - Ca5(PO4)3F + 3H+ = 5Ca+2 + 3HPO4-2 + F- - log_k -17.6 - delta_h -20.070 kcal +Fluorapatite 96 + Ca5(PO4)3F + 3 H+ = 5 Ca+2 + 3 HPO4-2 + F- + log_k -17.6 + delta_h -20.07 kcal -Chalcedony 97 - SiO2 + 2H2O = H4SiO4 - log_k -3.55 +Chalcedony 97 + SiO2 + 2 H2O = H4SiO4 + log_k -3.55 delta_h 4.72 kcal - -analytical -0.09 0.0 -1032.0 0.0 0.0 + -analytical -0.09 0 -1032 0 0 -Magadiite 98 - NaSi7O13(OH)3:3H2O + H+ + 9H2O = Na+ + 7H4SiO4 - log_k -14.3 +Magadiite 98 + NaSi7O13(OH)3:3H2O + H+ + 9 H2O = Na+ + 7 H4SiO4 + log_k -14.3 -Cristobalite 99 - SiO2 + 2H2O = H4SiO4 - log_k -3.587 +Cristobalite 99 + SiO2 + 2 H2O = H4SiO4 + log_k -3.587 delta_h 5.5 kcal -Silicagel 100 - SiO2 + 2H2O = H4SiO4 - log_k -3.018 - delta_h 4.440 kcal +Silicagel 100 + SiO2 + 2 H2O = H4SiO4 + log_k -3.018 + delta_h 4.44 kcal -Quartz 101 - SiO2 + 2H2O = H4SiO4 - log_k -3.98 +Quartz 101 + SiO2 + 2 H2O = H4SiO4 + log_k -3.98 delta_h 5.99 kcal - -analytical 0.41 0.0 -1309.0 0.0 0.0 + -analytical 0.41 0 -1309 0 0 -Vivianite 106 - Fe3(PO4)2:8H2O = 3Fe+2 + 2PO4-3 + 8H2O - log_k -36.0 +Vivianite 106 + Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O + log_k -36 -Magnetite 107 - Fe3O4 + 8H+ = 2Fe+3 + Fe+2 + 4H2O - log_k 3.737 - delta_h -50.460 kcal +Magnetite 107 + Fe3O4 + 8 H+ = 2 Fe+3 + Fe+2 + 4 H2O + log_k 3.737 + delta_h -50.46 kcal -Hematite 108 - Fe2O3 + 6H+ = 2Fe+3 + 3H2O - log_k -4.008 +Hematite 108 + Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O + log_k -4.008 delta_h -30.845 kcal -Maghemite 109 - Fe2O3 + 6H+ = 2Fe+3 + 3H2O - log_k 6.386 +Maghemite 109 + Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O + log_k 6.386 -Goethite 110 - FeOOH + 3H+ = Fe+3 + 2H2O - log_k -1.0 - delta_h -14.48 kcal +Goethite 110 + FeOOH + 3 H+ = Fe+3 + 2 H2O + log_k -1 + delta_h -14.48 kcal -Greenalite 111 - Fe3Si2O5(OH)4 + 6H+ = 3Fe+2 + 2 H4SiO4 + H2O - log_k 20.810 +Greenalite 111 + Fe3Si2O5(OH)4 + 6 H+ = 3 Fe+2 + 2 H4SiO4 + H2O + log_k 20.81 -Fe(OH)3(a) 112 - Fe(OH)3 + 3H+ = Fe+3 + 3H2O - log_k 4.891 +Fe(OH)3(a) 112 + Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O + log_k 4.891 -Annite 113 - KFe3AlSi3O10(OH)2 + 10H2O = K+ + 3Fe+2 + Al(OH)4- + 3H4SiO4 + 6OH- - log_k -85.645 - delta_h 62.480 kcal +Annite 113 + KFe3AlSi3O10(OH)2 + 10 H2O = K+ + 3 Fe+2 + Al(OH)4- + 3 H4SiO4 + 6 OH- + log_k -85.645 + delta_h 62.48 kcal -Pyrite 114 - FeS2 + 2H+ + 2e- = Fe+2 + 2HS- - log_k -18.479 +Pyrite 114 + FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS- + log_k -18.479 delta_h 11.3 kcal -Montmorillonite-BelleFourche 115 - (HNaK)0.09Mg0.29Fe0.24Al1.57Si3.93O10(OH)2 + 10H2O = 0.09H+ + 0.09Na+ + 0.09K+ + 0.29Mg+2 + 0.24Fe+3 + 1.57Al(OH)4- + 3.93H4SiO4 - log_k -34.913 +Montmorillonite-BelleFourche 115 + (HNaK)0.09Mg0.29Fe0.24Al1.57Si3.93O10(OH)2 + 10 H2O = 0.09 H+ + 0.09 Na+ + 0.09 K+ + 0.29 Mg+2 + 0.24 Fe+3 + 1.57 Al(OH)4- + 3.93 H4SiO4 + log_k -34.913 -Montmorillonite-Aberdeen 116 - (HNaK)0.14Mg0.45Fe0.33Al1.47Si3.82O10(OH)2 + 9.16H2O + 0.84H+ = 0.14H+ + 0.14Na+ + 0.14K+ + 0.45Mg+2 + 0.33Fe+3 + 1.47Al(OH)4- + 3.82H4SiO4 - log_k -29.688 +Montmorillonite-Aberdeen 116 + (HNaK)0.14Mg0.45Fe0.33Al1.47Si3.82O10(OH)2 + 9.16 H2O + 0.84 H+ = 0.14 H+ + 0.14 Na+ + 0.14 K+ + 0.45 Mg+2 + 0.33 Fe+3 + 1.47 Al(OH)4- + 3.82 H4SiO4 + log_k -29.688 -Huntite 117 - CaMg3(CO3)4 = 3Mg+2 + Ca+2 + 4CO3-2 - log_k -29.968 - delta_h -25.760 kcal +Huntite 117 + CaMg3(CO3)4 = 3 Mg+2 + Ca+2 + 4 CO3-2 + log_k -29.968 + delta_h -25.76 kcal -Greigite 118 - Fe3S4 + 4H+ = 2Fe+3 + Fe+2 + 4HS- - log_k -45.035 +Greigite 118 + Fe3S4 + 4 H+ = 2 Fe+3 + Fe+2 + 4 HS- + log_k -45.035 -FeS(ppt) 119 - FeS + H+ = Fe+2 + HS- - log_k -3.915 +FeS(ppt) 119 + FeS + H+ = Fe+2 + HS- + log_k -3.915 -Chlorite7A 125 - Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 +3H4SiO4 + 6H2O - log_k 71.752 +Chlorite7A 125 + Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O + log_k 71.752 delta_h -155.261 kcal -Laumontite 128 - CaAl2Si4O12:4H2O + 8H2O = Ca+2 + 2Al(OH)4- + 4H4SiO4 - log_k -30.960 - delta_h 39.610 kcal +Laumontite 128 + CaAl2Si4O12:4H2O + 8 H2O = Ca+2 + 2 Al(OH)4- + 4 H4SiO4 + log_k -30.96 + delta_h 39.61 kcal -Jarosite(ss) 133 - (K0.77Na0.03H0.2)Fe3(SO4)2(OH)6 + 5.8H+ = 0.77K+ + 0.03Na+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -9.83 # WATEQ4F, Alpers and others, 1989 +Jarosite(ss) 133 + (K0.77Na0.03H0.2)Fe3(SO4)2(OH)6 + 5.8 H+ = 0.77 K+ + 0.03 Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -9.83 # WATEQ4F, Alpers and others, 1989 -Mn2(SO4)3 134 - Mn2(SO4)3 = 2Mn+3 + 3SO4-2 - log_k -5.711 - delta_h -39.060 kcal +Mn2(SO4)3 134 + Mn2(SO4)3 = 2 Mn+3 + 3 SO4-2 + log_k -5.711 + delta_h -39.06 kcal -Al(OH)3(a) 140 - Al(OH)3 + 3H+ = Al+3 + 3H2O - log_k 10.8 +Al(OH)3(a) 140 + Al(OH)3 + 3 H+ = Al+3 + 3 H2O + log_k 10.8 delta_h -26.5 kcal -Prehnite 141 - Ca2Al2Si3O10(OH)2 + 8H2O + 2H+ = 2Ca+2 + 2Al(OH)4- + 3H4SiO4 - log_k -11.695 - delta_h 10.390 kcal +Prehnite 141 + Ca2Al2Si3O10(OH)2 + 8 H2O + 2 H+ = 2 Ca+2 + 2 Al(OH)4- + 3 H4SiO4 + log_k -11.695 + delta_h 10.39 kcal -Strontianite 142 - SrCO3 = Sr+2 + CO3-2 - log_k -9.271 +Strontianite 142 + SrCO3 = Sr+2 + CO3-2 + log_k -9.271 delta_h -0.4 kcal - -analytical 155.0305 0.0 -7239.594 -56.58638 0.0 + -analytical 155.0305 0 -7239.594 -56.58638 0 -Celestite 143 - SrSO4 = Sr+2 + SO4-2 - log_k -6.63 +Celestite 143 + SrSO4 = Sr+2 + SO4-2 + log_k -6.63 delta_h -1.037 kcal - -analytical -14805.9622 -2.4660924 756968.533 5436.3588 -40553604. + -analytical -14805.9622 -2.4660924 756968.533 5436.3588 -40553604 -Barite 144 - BaSO4 = Ba+2 + SO4-2 - log_k -9.97 +Barite 144 + BaSO4 = Ba+2 + SO4-2 + log_k -9.97 delta_h 6.35 kcal - -analytical 136.035 0.0 -7680.41 -48.595 0.0 + -analytical 136.035 0 -7680.41 -48.595 0 -Witherite 145 - BaCO3 = Ba+2 + CO3-2 - log_k -8.562 +Witherite 145 + BaCO3 = Ba+2 + CO3-2 + log_k -8.562 delta_h 0.703 kcal - -analytical 607.642 0.121098 -20011.25 -236.4948 0.0 + -analytical 607.642 0.121098 -20011.25 -236.4948 0 -Strengite 146 - FePO4:2H2O = Fe+3 + PO4-3 + 2H2O - log_k -26.4 - delta_h -2.030 kcal +Strengite 146 + FePO4:2H2O = Fe+3 + PO4-3 + 2 H2O + log_k -26.4 + delta_h -2.03 kcal -Leonhardite 147 - Ca2Al4Si8O24:7H2O + 17H2O = 2Ca+2 + 4Al(OH)4- + 8H4SiO4 - log_k -69.756 - delta_h 90.070 kcal +Leonhardite 147 + Ca2Al4Si8O24:7H2O + 17 H2O = 2 Ca+2 + 4 Al(OH)4- + 8 H4SiO4 + log_k -69.756 + delta_h 90.07 kcal -Nesquehonite 149 - MgCO3:3H2O = Mg+2 + CO3-2 + 3H2O - log_k -5.621 +Nesquehonite 149 + MgCO3:3H2O = Mg+2 + CO3-2 + 3 H2O + log_k -5.621 delta_h -5.789 kcal -Artinite 150 - MgCO3:Mg(OH)2:3H2O + 2H+ = 2Mg+2 + CO3-2 + 5H2O - log_k 9.6 +Artinite 150 + MgCO3:Mg(OH)2:3H2O + 2 H+ = 2 Mg+2 + CO3-2 + 5 H2O + log_k 9.6 delta_h -28.742 kcal -Sepiolite(d) 153 - Mg2Si3O7.5OH:3H2O+0.5H2O+4H+=2Mg+2 +3H4SiO4 - log_k 18.66 +Sepiolite(d) 153 + Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4 + log_k 18.66 -Diaspore 154 - AlOOH + 3H+ = Al+3 + 2H2O - log_k 6.879 +Diaspore 154 + AlOOH + 3 H+ = Al+3 + 2 H2O + log_k 6.879 delta_h -24.681 kcal -Wairakite 155 - CaAl2Si4O12:2H2O + 10H2O = Ca+2 + 2Al(OH)4- + 4H4SiO4 - log_k -26.708 - delta_h 26.140 kcal +Wairakite 155 + CaAl2Si4O12:2H2O + 10 H2O = Ca+2 + 2 Al(OH)4- + 4 H4SiO4 + log_k -26.708 + delta_h 26.14 kcal -Fe(OH)2.7Cl.3 181 - Fe(OH)2.7Cl0.3 + 2.7H+ = Fe+3 + 2.7H2O + 0.3 Cl- - log_k -3.040 +Fe(OH)2.7Cl.3 181 + Fe(OH)2.7Cl0.3 + 2.7 H+ = Fe+3 + 2.7 H2O + 0.3 Cl- + log_k -3.04 -MnSO4 182 - MnSO4 = Mn+2 + SO4-2 - log_k 2.669 - delta_h -15.480 kcal +MnSO4 182 + MnSO4 = Mn+2 + SO4-2 + log_k 2.669 + delta_h -15.48 kcal -Pyrolusite 183 - MnO2 + 4H+ + 2e- = Mn+2 + 2H2O - log_k 41.38 +Pyrolusite 183 + MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O + log_k 41.38 delta_h -65.11 kcal -Birnessite 184 - MnO2 + 4H+ + 2e- = Mn+2 + 2H2O - log_k 43.601 +Birnessite 184 + MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O + log_k 43.601 -Nsutite 185 - MnO2 + 4H+ + 2e- = Mn+2 + 2H2O - log_k 42.564 +Nsutite 185 + MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O + log_k 42.564 -Bixbyite 186 - Mn2O3 + 6H+ = 2Mn+3 + 3H2O - log_k -0.611 +Bixbyite 186 + Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O + log_k -0.611 delta_h -15.245 kcal -Hausmannite 187 - Mn3O4 + 8H+ + 2e- = 3Mn+2 + 4H2O - log_k 61.03 +Hausmannite 187 + Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O + log_k 61.03 delta_h -100.64 kcal -Pyrochroite 188 - Mn(OH)2 + 2H+ = Mn+2 + 2H2O - log_k 15.2 - -Manganite 189 - MnOOH + 3H+ + e- = Mn+2 + 2H2O - log_k 25.340 - -Rhodochrosite(d) 190 - MnCO3 = Mn+2 + CO3-2 - log_k -10.390 - -MnCl2:4H2O 191 - MnCl2:4H2O = Mn+2 + 2Cl- + 4H2O - log_k 2.710 - delta_h 17.380 kcal - -MnS(Green) 192 - MnS + H+ = Mn+2 + HS- - log_k 3.8 - delta_h -5.790 kcal - -Mn3(PO4)2 193 - Mn3(PO4)2 = 3Mn+2 + 2PO4-3 - log_k -23.827 - delta_h 2.120 kcal - -MnHPO4 194 - MnHPO4 = Mn+2 + HPO4-2 - log_k -12.947 - -Jarosite-Na 204 - NaFe3(SO4)2(OH)6 + 6H+ = Na+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -5.280 - delta_h -36.180 kcal - -Jarosite-K 205 - KFe3(SO4)2(OH)6 + 6H+ = K+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -9.21 +Pyrochroite 188 + Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O + log_k 15.2 + +Manganite 189 + MnOOH + 3 H+ + e- = Mn+2 + 2 H2O + log_k 25.34 + +Rhodochrosite(d) 190 + MnCO3 = Mn+2 + CO3-2 + log_k -10.39 + +MnCl2:4H2O 191 + MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O + log_k 2.71 + delta_h 17.38 kcal + +MnS(Green) 192 + MnS + H+ = Mn+2 + HS- + log_k 3.8 + delta_h -5.79 kcal + +Mn3(PO4)2 193 + Mn3(PO4)2 = 3 Mn+2 + 2 PO4-3 + log_k -23.827 + delta_h 2.12 kcal + +MnHPO4 194 + MnHPO4 = Mn+2 + HPO4-2 + log_k -12.947 + +Jarosite-Na 204 + NaFe3(SO4)2(OH)6 + 6 H+ = Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -5.28 + delta_h -36.18 kcal + +Jarosite-K 205 + KFe3(SO4)2(OH)6 + 6 H+ = K+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -9.21 delta_h -31.28 kcal -CuMetal 223 - Cu = Cu+ + e- - log_k -8.760 - delta_h 17.130 kcal +CuMetal 223 + Cu = Cu+ + e- + log_k -8.76 + delta_h 17.13 kcal -Nantokite 224 - CuCl = Cu+ + Cl- - log_k -6.760 - delta_h 9.980 kcal +Nantokite 224 + CuCl = Cu+ + Cl- + log_k -6.76 + delta_h 9.98 kcal -CuF 225 - CuF = Cu+ + F- - log_k 7.080 - delta_h -12.370 kcal +CuF 225 + CuF = Cu+ + F- + log_k 7.08 + delta_h -12.37 kcal -Cuprite 226 - Cu2O + 2H+ = 2Cu+ + H2O - log_k -1.550 +Cuprite 226 + Cu2O + 2 H+ = 2 Cu+ + H2O + log_k -1.55 delta_h 6.245 kcal -Chalcocite 227 - Cu2S + H+ = 2Cu+ + HS- - log_k -34.619 - delta_h 49.350 kcal +Chalcocite 227 + Cu2S + H+ = 2 Cu+ + HS- + log_k -34.619 + delta_h 49.35 kcal -Cu2SO4 228 - Cu2SO4 = 2Cu+ + SO4-2 - log_k -1.950 - delta_h -4.560 kcal +Cu2SO4 228 + Cu2SO4 = 2 Cu+ + SO4-2 + log_k -1.95 + delta_h -4.56 kcal -CuprousFerrite 229 - CuFeO2 + 4H+ = Cu+ + Fe+3 + 2H2O - log_k -8.920 +CuprousFerrite 229 + CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O + log_k -8.92 delta_h -3.8 kcal -Melanothallite 230 - CuCl2 = Cu+2 + 2Cl- - log_k 3.730 - delta_h -12.320 kcal - -CuCO3 231 - CuCO3 = Cu+2 + CO3-2 - log_k -9.630 - -CuF2 232 - CuF2 = Cu+2 + 2F- - log_k -0.620 - delta_h -13.320 kcal - -CuF2:2H2O 233 - CuF2:2H2O = Cu+2 + 2F- + 2H2O - log_k -4.550 - delta_h -3.650 kcal - -Cu(OH)2 234 - Cu(OH)2 + 2H+ = Cu+2 + 2H2O - log_k 8.640 - delta_h -15.250 kcal - -Malachite 235 - Cu2(OH)2CO3 + 3H+ = 2Cu+2 + 2H2O + HCO3- - log_k 5.150 - delta_h -19.760 kcal - -Azurite 236 - Cu3(OH)2(CO3)2 + 4H+ = 3Cu+2 + 2H2O + 2HCO3- - log_k 3.750 - delta_h -30.870 kcal - -Atacamite 237 - Cu2(OH)3Cl + 3H+ = 2Cu+2 + 3H2O + Cl- - log_k 7.340 - delta_h -18.690 kcal - -Cu2(OH)3NO3 238 - Cu2(OH)3NO3 + 3H+ = 2Cu+2 + 3H2O + NO3- - log_k 9.240 - delta_h -17.350 kcal - -Antlerite 239 - Cu3(OH)4SO4 + 4H+ = 3Cu+2 + 4H2O + SO4-2 - log_k 8.290 - -Brochantite 240 - Cu4(OH)6SO4 + 6H+ = 4Cu+2 + 6H2O + SO4-2 - log_k 15.340 - -Langite 241 - Cu4(OH)6SO4:H2O + 6H+ = 4Cu+2 + 7H2O + SO4-2 - log_k 16.790 - delta_h -39.610 kcal - -Tenorite 242 - CuO + 2H+ = Cu+2 + H2O - log_k 7.620 - delta_h -15.240 kcal - -CuOCuSO4 243 - CuO:CuSO4 + 2H+ = 2Cu+2 + H2O + SO4-2 - log_k 11.530 +Melanothallite 230 + CuCl2 = Cu+2 + 2 Cl- + log_k 3.73 + delta_h -12.32 kcal + +CuCO3 231 + CuCO3 = Cu+2 + CO3-2 + log_k -9.63 + +CuF2 232 + CuF2 = Cu+2 + 2 F- + log_k -0.62 + delta_h -13.32 kcal + +CuF2:2H2O 233 + CuF2:2H2O = Cu+2 + 2 F- + 2 H2O + log_k -4.55 + delta_h -3.65 kcal + +Cu(OH)2 234 + Cu(OH)2 + 2 H+ = Cu+2 + 2 H2O + log_k 8.64 + delta_h -15.25 kcal + +Malachite 235 + Cu2(OH)2CO3 + 3 H+ = 2 Cu+2 + 2 H2O + HCO3- + log_k 5.15 + delta_h -19.76 kcal + +Azurite 236 + Cu3(OH)2(CO3)2 + 4 H+ = 3 Cu+2 + 2 H2O + 2 HCO3- + log_k 3.75 + delta_h -30.87 kcal + +Atacamite 237 + Cu2(OH)3Cl + 3 H+ = 2 Cu+2 + 3 H2O + Cl- + log_k 7.34 + delta_h -18.69 kcal + +Cu2(OH)3NO3 238 + Cu2(OH)3NO3 + 3 H+ = 2 Cu+2 + 3 H2O + NO3- + log_k 9.24 + delta_h -17.35 kcal + +Antlerite 239 + Cu3(OH)4SO4 + 4 H+ = 3 Cu+2 + 4 H2O + SO4-2 + log_k 8.29 + +Brochantite 240 + Cu4(OH)6SO4 + 6 H+ = 4 Cu+2 + 6 H2O + SO4-2 + log_k 15.34 + +Langite 241 + Cu4(OH)6SO4:H2O + 6 H+ = 4 Cu+2 + 7 H2O + SO4-2 + log_k 16.79 + delta_h -39.61 kcal + +Tenorite 242 + CuO + 2 H+ = Cu+2 + H2O + log_k 7.62 + delta_h -15.24 kcal + +CuOCuSO4 243 + CuO:CuSO4 + 2 H+ = 2 Cu+2 + H2O + SO4-2 + log_k 11.53 delta_h -35.575 kcal -Cu3(PO4)2 244 - Cu3(PO4)2 = 3Cu+2 + 2PO4-3 - log_k -36.850 - -Cu3(PO4)2:3H2O 245 - Cu3(PO4)2:3H2O = 3Cu+2 + 2PO4-3 + 3H2O - log_k -35.120 - -Covellite 246 - CuS + H+ = Cu+2 + HS- - log_k -22.270 - delta_h 24.010 kcal - -CuSO4 247 - CuSO4 = Cu+2 + SO4-2 - log_k 3.010 - delta_h -18.140 kcal - -Chalcanthite 248 - CuSO4:5H2O = Cu+2 + SO4-2 + 5H2O - log_k -2.640 - delta_h 1.440 kcal - -CupricFerrite 249 - CuFe2O4 + 8H+ = Cu+2 + 2Fe+3 + 4H2O - log_k 5.880 - delta_h -38.690 kcal - -Chalcopyrite 250 - CuFeS2 + 2H+ = Cu+2 + Fe+2 + 2HS- - log_k -35.270 - delta_h 35.480 kcal - -ZnMetal 265 - Zn = Zn+2 + 2e- - log_k 25.757 - delta_h -36.780 kcal - -Zn(BO2)2 266 - Zn(BO2)2 + 2H2O + 2H+ = Zn+2 + 2H3BO3 - log_k 8.290 - -ZnCl2 267 - ZnCl2 = Zn+2 + 2Cl- - log_k 7.030 - delta_h -17.480 kcal - -Smithsonite 268 - ZnCO3 = Zn+2 + CO3-2 - log_k -10.0 +Cu3(PO4)2 244 + Cu3(PO4)2 = 3 Cu+2 + 2 PO4-3 + log_k -36.85 + +Cu3(PO4)2:3H2O 245 + Cu3(PO4)2:3H2O = 3 Cu+2 + 2 PO4-3 + 3 H2O + log_k -35.12 + +Covellite 246 + CuS + H+ = Cu+2 + HS- + log_k -22.27 + delta_h 24.01 kcal + +CuSO4 247 + CuSO4 = Cu+2 + SO4-2 + log_k 3.01 + delta_h -18.14 kcal + +Chalcanthite 248 + CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O + log_k -2.64 + delta_h 1.44 kcal + +CupricFerrite 249 + CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O + log_k 5.88 + delta_h -38.69 kcal + +Chalcopyrite 250 + CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS- + log_k -35.27 + delta_h 35.48 kcal + +ZnMetal 265 + Zn = Zn+2 + 2 e- + log_k 25.757 + delta_h -36.78 kcal + +Zn(BO2)2 266 + Zn(BO2)2 + 2 H2O + 2 H+ = Zn+2 + 2 H3BO3 + log_k 8.29 + +ZnCl2 267 + ZnCl2 = Zn+2 + 2 Cl- + log_k 7.03 + delta_h -17.48 kcal + +Smithsonite 268 + ZnCO3 = Zn+2 + CO3-2 + log_k -10 delta_h -4.36 kcal -ZnCO3:H2O 269 - ZnCO3:H2O = Zn+2 + CO3-2 + H2O - log_k -10.260 - -ZnF2 270 - ZnF2 = Zn+2 + 2F- - log_k -1.520 - delta_h -13.080 kcal - -Zn(OH)2-a 271 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 12.450 - -Zn(OH)2-c 272 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 12.2 - -Zn(OH)2-b 273 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.750 - -Zn(OH)2-g 274 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.710 - -Zn(OH)2-e 275 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.5 - -Zn2(OH)3Cl 276 - Zn2(OH)3Cl + 3H+= 2Zn+2 + 3H2O + Cl- - log_k 15.2 - -Zn5(OH)8Cl2 277 - Zn5(OH)8Cl2 + 8H+ = 5Zn+2 + 8H2O + 2Cl- - log_k 38.5 - -Zn2(OH)2SO4 278 - Zn2(OH)2SO4 + 2H+ = 2Zn+2 + 2H2O + SO4-2 - log_k 7.5 - -Zn4(OH)6SO4 279 - Zn4(OH)6SO4 + 6H+ = 4Zn+2 + 6H2O + SO4-2 - log_k 28.4 - -Zn(NO3)2:6H2O 280 - Zn(NO3)2:6H2O = Zn+2 + 2NO3- + 6H2O - log_k 3.440 - delta_h 5.510 kcal - -ZnO(a) 281 - ZnO + 2H+ = Zn+2 + H2O - log_k 11.310 - -Zincite(c) 282 - ZnO + 2H+ = Zn+2 + H2O - log_k 11.140 - delta_h -21.860 kcal - -Zn3O(SO4)2 283 - ZnO:2ZnSO4 + 2H+ = 3Zn+2 + 2SO4-2 + H2O - log_k 19.020 - delta_h -62.0 kcal - -Zn3(PO4)2:4w 284 - Zn3(PO4)2:4H2O = 3Zn+2 + 2PO4-3 + 4H2O - log_k -32.040 - -ZnS(a) 285 - ZnS + H+ = Zn+2 + HS- - log_k -9.052 - delta_h 3.670 kcal - -Sphalerite 286 - ZnS + H+ = Zn+2 + HS- - log_k -11.618 +ZnCO3:H2O 269 + ZnCO3:H2O = Zn+2 + CO3-2 + H2O + log_k -10.26 + +ZnF2 270 + ZnF2 = Zn+2 + 2 F- + log_k -1.52 + delta_h -13.08 kcal + +Zn(OH)2-a 271 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 12.45 + +Zn(OH)2-c 272 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 12.2 + +Zn(OH)2-b 273 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.75 + +Zn(OH)2-g 274 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.71 + +Zn(OH)2-e 275 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.5 + +Zn2(OH)3Cl 276 + Zn2(OH)3Cl + 3 H+ = 2 Zn+2 + 3 H2O + Cl- + log_k 15.2 + +Zn5(OH)8Cl2 277 + Zn5(OH)8Cl2 + 8 H+ = 5 Zn+2 + 8 H2O + 2 Cl- + log_k 38.5 + +Zn2(OH)2SO4 278 + Zn2(OH)2SO4 + 2 H+ = 2 Zn+2 + 2 H2O + SO4-2 + log_k 7.5 + +Zn4(OH)6SO4 279 + Zn4(OH)6SO4 + 6 H+ = 4 Zn+2 + 6 H2O + SO4-2 + log_k 28.4 + +Zn(NO3)2:6H2O 280 + Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O + log_k 3.44 + delta_h 5.51 kcal + +ZnO(a) 281 + ZnO + 2 H+ = Zn+2 + H2O + log_k 11.31 + +Zincite(c) 282 + ZnO + 2 H+ = Zn+2 + H2O + log_k 11.14 + delta_h -21.86 kcal + +Zn3O(SO4)2 283 + ZnO:2ZnSO4 + 2 H+ = 3 Zn+2 + 2 SO4-2 + H2O + log_k 19.02 + delta_h -62 kcal + +Zn3(PO4)2:4w 284 + Zn3(PO4)2:4H2O = 3 Zn+2 + 2 PO4-3 + 4 H2O + log_k -32.04 + +ZnS(a) 285 + ZnS + H+ = Zn+2 + HS- + log_k -9.052 + delta_h 3.67 kcal + +Sphalerite 286 + ZnS + H+ = Zn+2 + HS- + log_k -11.618 delta_h 8.25 kcal -Wurtzite 287 - ZnS + H+ = Zn+2 + HS- - log_k -9.682 - delta_h 5.060 kcal +Wurtzite 287 + ZnS + H+ = Zn+2 + HS- + log_k -9.682 + delta_h 5.06 kcal -ZnSiO3 288 - ZnSiO3 + 2H+ + H2O = Zn+2 + H4SiO4 - log_k 2.930 - delta_h -18.270 kcal +ZnSiO3 288 + ZnSiO3 + 2 H+ + H2O = Zn+2 + H4SiO4 + log_k 2.93 + delta_h -18.27 kcal -Willemite 289 - Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4 - log_k 15.33 +Willemite 289 + Zn2SiO4 + 4 H+ = 2 Zn+2 + H4SiO4 + log_k 15.33 delta_h -33.37 kcal -Zincosite 290 - ZnSO4 = Zn+2 + SO4-2 - log_k 3.010 +Zincosite 290 + ZnSO4 = Zn+2 + SO4-2 + log_k 3.01 delta_h -19.2 kcal -ZnSO4:H2O 291 - ZnSO4:H2O = Zn+2 + SO4-2 + H2O - log_k -0.570 - delta_h -10.640 kcal +ZnSO4:H2O 291 + ZnSO4:H2O = Zn+2 + SO4-2 + H2O + log_k -0.57 + delta_h -10.64 kcal -Bianchite 292 - ZnSO4:6H2O = Zn+2 + SO4-2 + 6H2O - log_k -1.765 - delta_h -0.160 kcal +Bianchite 292 + ZnSO4:6H2O = Zn+2 + SO4-2 + 6 H2O + log_k -1.765 + delta_h -0.16 kcal -Goslarite 293 - ZnSO4:7H2O = Zn+2 + SO4-2 + 7H2O - log_k -1.960 +Goslarite 293 + ZnSO4:7H2O = Zn+2 + SO4-2 + 7 H2O + log_k -1.96 delta_h 3.3 kcal -CdMetal 312 - Cd = Cd+2 + 2e- - log_k 13.490 - delta_h -18.0 kcal +CdMetal 312 + Cd = Cd+2 + 2 e- + log_k 13.49 + delta_h -18 kcal -Cd(gamma) 313 - Cd = Cd+2 + 2e- - log_k 13.590 - delta_h -18.140 kcal +Cd(gamma) 313 + Cd = Cd+2 + 2 e- + log_k 13.59 + delta_h -18.14 kcal -Cd(BO2)2 314 - Cd(BO2)2 + 2H2O + 2H+ = Cd+2 + 2H3BO3 - log_k 9.840 +Cd(BO2)2 314 + Cd(BO2)2 + 2 H2O + 2 H+ = Cd+2 + 2 H3BO3 + log_k 9.84 -Otavite 315 - CdCO3 = Cd+2 + CO3-2 - log_k -12.1 +Otavite 315 + CdCO3 = Cd+2 + CO3-2 + log_k -12.1 delta_h -0.019 kcal -CdCl2 316 - CdCl2 = Cd+2 + 2Cl- - log_k -0.68 +CdCl2 316 + CdCl2 = Cd+2 + 2 Cl- + log_k -0.68 delta_h -4.47 kcal -CdCl2:H2O 317 - CdCl2:H2O = Cd+2 + 2Cl- + H2O - log_k -1.71 +CdCl2:H2O 317 + CdCl2:H2O = Cd+2 + 2 Cl- + H2O + log_k -1.71 delta_h -1.82 kcal -CdCl2:2.5H2O 318 - CdCl2:2.5H2O = Cd+2 + 2Cl- + 2.5H2O - log_k -1.940 - delta_h 1.710 kcal +CdCl2:2.5H2O 318 + CdCl2:2.5H2O = Cd+2 + 2 Cl- + 2.5 H2O + log_k -1.94 + delta_h 1.71 kcal -CdF2 319 - CdF2 = Cd+2 + 2F- - log_k -2.980 - delta_h -9.720 kcal +CdF2 319 + CdF2 = Cd+2 + 2 F- + log_k -2.98 + delta_h -9.72 kcal -Cd(OH)2(a) 320 - Cd(OH)2 + 2H+ = Cd+2 + 2H2O - log_k 13.730 - delta_h -20.770 kcal +Cd(OH)2(a) 320 + Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O + log_k 13.73 + delta_h -20.77 kcal -Cd(OH)2 321 - Cd(OH)2 + 2H+ = Cd+2 + 2H2O - log_k 13.65 +Cd(OH)2 321 + Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O + log_k 13.65 -CdOHCl 322 - CdOHCl + H+ = Cd+2 + H2O + Cl- - log_k 3.520 +CdOHCl 322 + CdOHCl + H+ = Cd+2 + H2O + Cl- + log_k 3.52 delta_h -7.407 kcal -Cd3(OH)4SO4 323 - Cd3(OH)4SO4 + 4H+ = 3Cd+2 + 4H2O + SO4-2 - log_k 22.560 +Cd3(OH)4SO4 323 + Cd3(OH)4SO4 + 4 H+ = 3 Cd+2 + 4 H2O + SO4-2 + log_k 22.56 -Cd3(OH)2(SO4)2 324 - Cd3(OH)2(SO4)2 + 2H+ = 3Cd+2 + 2H2O + 2SO4-2 - log_k 6.710 +Cd3(OH)2(SO4)2 324 + Cd3(OH)2(SO4)2 + 2 H+ = 3 Cd+2 + 2 H2O + 2 SO4-2 + log_k 6.71 -Cd4(OH)6SO4 325 - Cd4(OH)6SO4 + 6H+ = 4Cd+2 + 6H2O + SO4-2 - log_k 28.4 +Cd4(OH)6SO4 325 + Cd4(OH)6SO4 + 6 H+ = 4 Cd+2 + 6 H2O + SO4-2 + log_k 28.4 -Monteponite 326 - CdO + 2H+ = Cd+2 + H2O - log_k 13.770 - delta_h -24.760 kcal +Monteponite 326 + CdO + 2 H+ = Cd+2 + H2O + log_k 13.77 + delta_h -24.76 kcal -Cd3(PO4)2 327 - Cd3(PO4)2 = 3Cd+2 + 2PO4-3 - log_k -32.6 +Cd3(PO4)2 327 + Cd3(PO4)2 = 3 Cd+2 + 2 PO4-3 + log_k -32.6 -CdSiO3 328 - CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4 - log_k 9.06 +CdSiO3 328 + CdSiO3 + H2O + 2 H+ = Cd+2 + H4SiO4 + log_k 9.06 delta_h -16.63 kcal -CdSO4 329 - CdSO4 = Cd+2 + SO4-2 - log_k -0.1 +CdSO4 329 + CdSO4 = Cd+2 + SO4-2 + log_k -0.1 delta_h -14.74 kcal -CdSO4:H2O 330 - CdSO4:H2O = Cd+2 + SO4-2 + H2O - log_k -1.657 - delta_h -7.520 kcal +CdSO4:H2O 330 + CdSO4:H2O = Cd+2 + SO4-2 + H2O + log_k -1.657 + delta_h -7.52 kcal -CdSO4:2.7H2O 331 - CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67H2O - log_k -1.873 +CdSO4:2.7H2O 331 + CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67 H2O + log_k -1.873 delta_h -4.3 kcal -Greenockite 332 - CdS + H+ = Cd+2 + HS- - log_k -15.930 - delta_h 16.360 kcal +Greenockite 332 + CdS + H+ = Cd+2 + HS- + log_k -15.93 + delta_h 16.36 kcal -JarositeH 337 - (H3O)Fe3(SO4)2(OH)6 + 5H+ = 3Fe+3 + 2SO4-2 + 7H2O - log_k -5.390 - delta_h -55.150 kcal +JarositeH 337 + (H3O)Fe3(SO4)2(OH)6 + 5 H+ = 3 Fe+3 + 2 SO4-2 + 7 H2O + log_k -5.39 + delta_h -55.15 kcal -AlumK 338 - KAl(SO4)2:12H2O = K+ + Al+3 + 2SO4-2 + 12H2O - log_k -5.170 - delta_h 7.220 kcal +AlumK 338 + KAl(SO4)2:12H2O = K+ + Al+3 + 2 SO4-2 + 12 H2O + log_k -5.17 + delta_h 7.22 kcal -Melanterite 339 - FeSO4:7H2O = Fe+2 + SO4-2 + 7H2O - log_k -2.209 +Melanterite 339 + FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O + log_k -2.209 delta_h 4.91 kcal - -analytical 1.447 -0.004153 0.0 0.0 -214949.0 + -analytical 1.447 -0.004153 0 0 -214949 -Epsomite 340 - MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O - log_k -2.140 - delta_h 2.820 kcal +Epsomite 340 + MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O + log_k -2.14 + delta_h 2.82 kcal -PbMetal 360 - Pb = Pb+2 + 2e- - log_k 4.270 +PbMetal 360 + Pb = Pb+2 + 2 e- + log_k 4.27 delta_h 0.4 kcal -Pb(BO2)2 361 - Pb(BO2)2 + 2H2O + 2H+ = Pb+2 + 2H3BO3 - log_k 7.610 +Pb(BO2)2 361 + Pb(BO2)2 + 2 H2O + 2 H+ = Pb+2 + 2 H3BO3 + log_k 7.61 delta_h -5.8 kcal -Cotunnite 362 - PbCl2 = Pb+2 + 2Cl- - log_k -4.770 +Cotunnite 362 + PbCl2 = Pb+2 + 2 Cl- + log_k -4.77 delta_h 5.6 kcal -Matlockite 363 - PbClF = Pb+2 + Cl- + F- - log_k -9.430 - delta_h 7.950 kcal +Matlockite 363 + PbClF = Pb+2 + Cl- + F- + log_k -9.43 + delta_h 7.95 kcal -Phosgenite 364 - PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2 - log_k -19.810 +Phosgenite 364 + PbCl2:PbCO3 = 2 Pb+2 + 2 Cl- + CO3-2 + log_k -19.81 -Cerrusite 365 - PbCO3 = Pb+2 + CO3-2 - log_k -13.13 +Cerrusite 365 + PbCO3 = Pb+2 + CO3-2 + log_k -13.13 delta_h 4.86 kcal -PbF2 366 - PbF2 = Pb+2 + 2F- - log_k -7.440 +PbF2 366 + PbF2 = Pb+2 + 2 F- + log_k -7.44 delta_h -0.7 kcal -Massicot 367 - PbO + 2H+ = Pb+2 + H2O - log_k 12.910 - delta_h -16.780 kcal - -Litharge 368 - PbO + 2H+ = Pb+2 + H2O - log_k 12.720 - delta_h -16.380 kcal - -PbO:0.3H2O 369 - PbO:0.33H2O + 2H+ = Pb+2 + 1.33H2O - log_k 12.980 - -Pb2OCO3 370 - PbO:PbCO3 + 2H+ = 2Pb+2 + CO3-2 + H2O - log_k -0.5 - delta_h -11.460 kcal - -Larnakite 371 - PbO:PbSO4 + 2H+ = 2Pb+2 + SO4-2 + H2O - log_k -0.280 - delta_h -6.440 kcal - -Pb3O2SO4 372 - PbSO4:2PbO + 4H+ = 3Pb+2 + SO4-2 + 2H2O - log_k 10.4 - delta_h -20.750 kcal - -Pb4O3SO4 373 - PbSO4:3PbO + 6H+ = 4Pb+2 + SO4-2 + 3H2O - log_k 22.1 - delta_h -35.070 kcal - -PbHPO4 374 - PbHPO4 = Pb+2 + HPO4-2 - log_k -11.460 - delta_h 7.040 kcal - -Pb3(PO4)2 375 - Pb3(PO4)2 + 2H+ = 3Pb+2 + 2HPO4-2 - log_k -19.670 - delta_h -1.670 kcal - -Clpyromorphite 376 - Pb5(PO4)3Cl = 5Pb+2 + 3PO4-3 + Cl- - log_k -84.430 - -Hxypyromorphite 377 - Pb5(PO4)3OH + H+ = 5Pb+2 + 3PO4-3 + H2O - log_k -62.790 - -Pb3O2CO3 378 - PbCO3:2PbO + 4H+ = 3Pb+2 + CO3-2 + 2H2O - log_k 11.020 - delta_h -26.430 kcal - -Plumbogummite 379 - PbAl3(PO4)2(OH)5:H2O + 5H+ = Pb+2 + 3Al+3 + 2PO4-3 + 6H2O - log_k -32.790 - -Hinsdalite 380 - PbAl3PO4SO4(OH)6 + 6H+ = Pb+2 + 3Al+3 + PO4-3 + SO4-2 + 6H2O - log_k -2.5 - -Tsumebite 381 - Pb2CuPO4(OH)3:3H2O + 3H+ = 2Pb+2 + Cu+2 + PO4-3 + 6H2O - log_k -9.790 - -PbSiO3 382 - PbSiO3 + H2O + 2H+ = Pb+2 + H4SiO4 - log_k 7.320 - delta_h -9.260 kcal - -Pb2SiO4 383 - Pb2SiO4 + 4H+ = 2Pb+2 + H4SiO4 - log_k 19.760 - delta_h -26.0 kcal - -Anglesite 384 - PbSO4 = Pb+2 + SO4-2 - log_k -7.79 +Massicot 367 + PbO + 2 H+ = Pb+2 + H2O + log_k 12.91 + delta_h -16.78 kcal + +Litharge 368 + PbO + 2 H+ = Pb+2 + H2O + log_k 12.72 + delta_h -16.38 kcal + +PbO:0.3H2O 369 + PbO:0.33H2O + 2 H+ = Pb+2 + 1.33 H2O + log_k 12.98 + +Pb2OCO3 370 + PbO:PbCO3 + 2 H+ = 2 Pb+2 + CO3-2 + H2O + log_k -0.5 + delta_h -11.46 kcal + +Larnakite 371 + PbO:PbSO4 + 2 H+ = 2 Pb+2 + SO4-2 + H2O + log_k -0.28 + delta_h -6.44 kcal + +Pb3O2SO4 372 + PbSO4:2PbO + 4 H+ = 3 Pb+2 + SO4-2 + 2 H2O + log_k 10.4 + delta_h -20.75 kcal + +Pb4O3SO4 373 + PbSO4:3PbO + 6 H+ = 4 Pb+2 + SO4-2 + 3 H2O + log_k 22.1 + delta_h -35.07 kcal + +PbHPO4 374 + PbHPO4 = Pb+2 + HPO4-2 + log_k -11.46 + delta_h 7.04 kcal + +Pb3(PO4)2 375 + Pb3(PO4)2 + 2 H+ = 3 Pb+2 + 2 HPO4-2 + log_k -19.67 + delta_h -1.67 kcal + +Clpyromorphite 376 + Pb5(PO4)3Cl = 5 Pb+2 + 3 PO4-3 + Cl- + log_k -84.43 + +Hxypyromorphite 377 + Pb5(PO4)3OH + H+ = 5 Pb+2 + 3 PO4-3 + H2O + log_k -62.79 + +Pb3O2CO3 378 + PbCO3:2PbO + 4 H+ = 3 Pb+2 + CO3-2 + 2 H2O + log_k 11.02 + delta_h -26.43 kcal + +Plumbogummite 379 + PbAl3(PO4)2(OH)5:H2O + 5 H+ = Pb+2 + 3 Al+3 + 2 PO4-3 + 6 H2O + log_k -32.79 + +Hinsdalite 380 + PbAl3PO4SO4(OH)6 + 6 H+ = Pb+2 + 3 Al+3 + PO4-3 + SO4-2 + 6 H2O + log_k -2.5 + +Tsumebite 381 + Pb2CuPO4(OH)3:3H2O + 3 H+ = 2 Pb+2 + Cu+2 + PO4-3 + 6 H2O + log_k -9.79 + +PbSiO3 382 + PbSiO3 + H2O + 2 H+ = Pb+2 + H4SiO4 + log_k 7.32 + delta_h -9.26 kcal + +Pb2SiO4 383 + Pb2SiO4 + 4 H+ = 2 Pb+2 + H4SiO4 + log_k 19.76 + delta_h -26 kcal + +Anglesite 384 + PbSO4 = Pb+2 + SO4-2 + log_k -7.79 delta_h 2.15 kcal -Galena 385 - PbS + H+ = Pb+2 + HS- - log_k -12.780 +Galena 385 + PbS + H+ = Pb+2 + HS- + log_k -12.78 delta_h 19.4 kcal -Plattnerite 386 - PbO2 + 4H+ + 2e- = Pb+2 + 2H2O - log_k 49.3 - delta_h -70.730 kcal +Plattnerite 386 + PbO2 + 4 H+ + 2 e- = Pb+2 + 2 H2O + log_k 49.3 + delta_h -70.73 kcal -Pb2O3 387 - Pb2O3 + 6H+ + 2e- = 2Pb+2 + 3H2O - log_k 61.040 +Pb2O3 387 + Pb2O3 + 6 H+ + 2 e- = 2 Pb+2 + 3 H2O + log_k 61.04 -Minium 388 - Pb3O4 + 8H+ + 2e- = 3Pb+2 + 4H2O - log_k 73.690 - delta_h -102.760 kcal +Minium 388 + Pb3O4 + 8 H+ + 2 e- = 3 Pb+2 + 4 H2O + log_k 73.69 + delta_h -102.76 kcal -Pb(OH)2 389 - Pb(OH)2 + 2H+ = Pb+2 + 2H2O - log_k 8.15 +Pb(OH)2 389 + Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O + log_k 8.15 delta_h -13.99 kcal -Laurionite 390 - PbOHCl + H+ = Pb+2 + Cl- + H2O - log_k 0.623 +Laurionite 390 + PbOHCl + H+ = Pb+2 + Cl- + H2O + log_k 0.623 -Pb2(OH)3Cl 391 - Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl- - log_k 8.793 +Pb2(OH)3Cl 391 + Pb2(OH)3Cl + 3 H+ = 2 Pb+2 + 3 H2O + Cl- + log_k 8.793 -Hydrocerrusite 392 - Pb(OH)2:2PbCO3 + 2H+ = 3Pb+2 + 2CO3-2 + 2H2O - log_k -17.460 +Hydrocerrusite 392 + Pb(OH)2:2PbCO3 + 2 H+ = 3 Pb+2 + 2 CO3-2 + 2 H2O + log_k -17.46 -Pb2O(OH)2 393 - PbO:Pb(OH)2 + 4H+ = 2Pb+2 + 3H2O - log_k 26.2 +Pb2O(OH)2 393 + PbO:Pb(OH)2 + 4 H+ = 2 Pb+2 + 3 H2O + log_k 26.2 -Pb4(OH)6SO4 394 - Pb4(OH)6SO4 + 6H+ = 4Pb+2 + SO4-2 + 6H2O - log_k 21.1 +Pb4(OH)6SO4 394 + Pb4(OH)6SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 6 H2O + log_k 21.1 -SiO2(a) 395 - SiO2 + 2H2O = H4SiO4 - log_k -2.71 +SiO2(a) 395 + SiO2 + 2 H2O = H4SiO4 + log_k -2.71 delta_h 3.34 kcal - -analytical -0.26 0.0 -731.0 0.0 0.0 - -FCO3Apatite 396 - Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F- - log_k -114.4 - delta_h 39.390 kcal - -BaF2 398 - BaF2 = Ba+2 + 2F- - log_k -5.760 - delta_h 1.0 kcal - -SrF2 399 - SrF2 = Sr+2 + 2F- - log_k -8.540 - delta_h 1.250 kcal - -Dolomite 401 - CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2 - log_k -17.09 + -analytical -0.26 0 -731 0 0 + +FCO3Apatite 396 + Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316 Ca+2 + 0.36 Na+ + 0.144 Mg+2 + 4.8 PO4-3 + 1.2 CO3-2 + 2.48 F- + log_k -114.4 + delta_h 39.39 kcal + +BaF2 398 + BaF2 = Ba+2 + 2 F- + log_k -5.76 + delta_h 1 kcal + +SrF2 399 + SrF2 = Sr+2 + 2 F- + log_k -8.54 + delta_h 1.25 kcal + +Dolomite 401 + CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 + log_k -17.09 delta_h -9.436 kcal -Sulfur 402 - S + 2e- = S-2 - log_k -15.026 +Sulfur 402 + S + 2 e- = S-2 + log_k -15.026 delta_h 7.9 kcal -NiCO3 410 - NiCO3 = Ni+2 + CO3-2 - log_k -6.840 - delta_h -9.940 kcal +NiCO3 410 + NiCO3 = Ni+2 + CO3-2 + log_k -6.84 + delta_h -9.94 kcal -Ni(OH)2 411 - Ni(OH)2 + 2H+ = Ni+2 + 2H2O - log_k 10.8 - delta_h 30.450 kcal +Ni(OH)2 411 + Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O + log_k 10.8 + delta_h 30.45 kcal -Ni4(OH)6SO4 412 - Ni4(OH)6SO4 + 6H+ = 4Ni+2 + SO4-2 + 6H2O - log_k 32.0 +Ni4(OH)6SO4 412 + Ni4(OH)6SO4 + 6 H+ = 4 Ni+2 + SO4-2 + 6 H2O + log_k 32 -Bunsenite 413 - NiO + 2H+ = Ni+2 + H2O - log_k 12.450 - delta_h -23.920 kcal +Bunsenite 413 + NiO + 2 H+ = Ni+2 + H2O + log_k 12.45 + delta_h -23.92 kcal -Ni3(PO4)2 414 - Ni3(PO4)2 = 3Ni+2 + 2PO4-3 - log_k -31.3 +Ni3(PO4)2 414 + Ni3(PO4)2 = 3 Ni+2 + 2 PO4-3 + log_k -31.3 -Millerite 415 - NiS + H+ = Ni+2 + HS- - log_k -8.042 +Millerite 415 + NiS + H+ = Ni+2 + HS- + log_k -8.042 delta_h 2.5 kcal -Retgersite 416 - NiSO4:6H2O = Ni+2 + SO4-2 + 6H2O - log_k -2.040 +Retgersite 416 + NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O + log_k -2.04 delta_h 1.1 kcal -Morenosite 417 - NiSO4:7H2O = Ni+2 + SO4-2 + 7H2O - log_k -2.360 - delta_h 2.940 kcal +Morenosite 417 + NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O + log_k -2.36 + delta_h 2.94 kcal -Ni2SiO4 418 - Ni2SiO4 + 4H+ = 2Ni+2 + H4SiO4 - log_k 14.540 - delta_h -33.360 kcal +Ni2SiO4 418 + Ni2SiO4 + 4 H+ = 2 Ni+2 + H4SiO4 + log_k 14.54 + delta_h -33.36 kcal -Fe3(OH)8 419 - Fe3(OH)8 + 8H+ = 2Fe+3 + Fe+2 + 8H2O - log_k 20.222 +Fe3(OH)8 419 + Fe3(OH)8 + 8 H+ = 2 Fe+3 + Fe+2 + 8 H2O + log_k 20.222 -Dioptase 420 - CuSiO3:H2O + 2H+ = Cu+2 + H4SiO4 - log_k 6.5 - delta_h -8.960 kcal +Dioptase 420 + CuSiO3:H2O + 2 H+ = Cu+2 + H4SiO4 + log_k 6.5 + delta_h -8.96 kcal -AgMetal 437 - Ag = Ag+ + e- - log_k -13.510 +AgMetal 437 + Ag = Ag+ + e- + log_k -13.51 delta_h 25.234 kcal -Bromyrite 438 - AgBr = Ag+ + Br- - log_k -12.270 - delta_h 20.170 kcal +Bromyrite 438 + AgBr = Ag+ + Br- + log_k -12.27 + delta_h 20.17 kcal -Cerargyrite 439 - AgCl = Ag+ + Cl- - log_k -9.750 +Cerargyrite 439 + AgCl = Ag+ + Cl- + log_k -9.75 delta_h 15.652 kcal -Ag2CO3 440 - Ag2CO3 = 2Ag+ + CO3-2 - log_k -11.070 - delta_h 9.530 kcal - -AgF:4H2O 441 - AgF:4H2O = Ag+ + F- + 4H2O - log_k 0.550 - delta_h 4.270 kcal - -Iodyrite 442 - AgI = Ag+ + I- - log_k -16.070 - delta_h 26.820 kcal - -Ag2O 443 - Ag2O + 2H+ = 2Ag+ + H2O - log_k 12.580 - delta_h -10.430 kcal - -Ag3PO4 444 - Ag3PO4 = 3Ag+ + PO4-3 - log_k -17.550 - -Acanthite 445 - Ag2S + H+ = 2Ag+ + HS- - log_k -36.050 +Ag2CO3 440 + Ag2CO3 = 2 Ag+ + CO3-2 + log_k -11.07 + delta_h 9.53 kcal + +AgF:4H2O 441 + AgF:4H2O = Ag+ + F- + 4 H2O + log_k 0.55 + delta_h 4.27 kcal + +Iodyrite 442 + AgI = Ag+ + I- + log_k -16.07 + delta_h 26.82 kcal + +Ag2O 443 + Ag2O + 2 H+ = 2 Ag+ + H2O + log_k 12.58 + delta_h -10.43 kcal + +Ag3PO4 444 + Ag3PO4 = 3 Ag+ + PO4-3 + log_k -17.55 + +Acanthite 445 + Ag2S + H+ = 2 Ag+ + HS- + log_k -36.05 delta_h 53.3 kcal -Ag2SO4 446 - Ag2SO4 = 2Ag+ + SO4-2 - log_k -4.920 - delta_h 4.250 kcal - -CuBr 459 - CuBr = Cu+ + Br- - log_k -8.210 - delta_h 13.080 kcal - -CuI 460 - CuI = Cu+ + I- - log_k -11.890 - delta_h 20.140 kcal - -ZnBr2:2H2O 461 - ZnBr2:2H2O = Zn+2 + 2Br- + 2H2O - log_k 5.210 - delta_h -7.510 kcal - -ZnI2 462 - ZnI2 = Zn+2 + 2I- - log_k 7.230 - delta_h -13.440 kcal - -CdBr2:4H2O 463 - CdBr2:4H2O = Cd+2 + 2Br- + 4H2O - log_k -2.420 - delta_h 7.230 kcal - -CdI2 464 - CdI2 = Cd+2 + 2I- - log_k -3.610 - delta_h 4.080 kcal - -PbBr2 465 - PbBr2 = Pb+2 + 2Br- - log_k -5.180 +Ag2SO4 446 + Ag2SO4 = 2 Ag+ + SO4-2 + log_k -4.92 + delta_h 4.25 kcal + +CuBr 459 + CuBr = Cu+ + Br- + log_k -8.21 + delta_h 13.08 kcal + +CuI 460 + CuI = Cu+ + I- + log_k -11.89 + delta_h 20.14 kcal + +ZnBr2:2H2O 461 + ZnBr2:2H2O = Zn+2 + 2 Br- + 2 H2O + log_k 5.21 + delta_h -7.51 kcal + +ZnI2 462 + ZnI2 = Zn+2 + 2 I- + log_k 7.23 + delta_h -13.44 kcal + +CdBr2:4H2O 463 + CdBr2:4H2O = Cd+2 + 2 Br- + 4 H2O + log_k -2.42 + delta_h 7.23 kcal + +CdI2 464 + CdI2 = Cd+2 + 2 I- + log_k -3.61 + delta_h 4.08 kcal + +PbBr2 465 + PbBr2 = Pb+2 + 2 Br- + log_k -5.18 delta_h 8.1 kcal -PbBrF 466 - PbBrF = Pb+2 + Br- + F- - log_k -8.490 +PbBrF 466 + PbBrF = Pb+2 + Br- + F- + log_k -8.49 -PbI2 467 - PbI2 = Pb+2 + 2I- - log_k -8.070 - delta_h 15.160 kcal +PbI2 467 + PbI2 = Pb+2 + 2 I- + log_k -8.07 + delta_h 15.16 kcal -Jurbanite 471 - AlOHSO4 + H+ = Al+3 + SO4-2 + H2O - log_k -3.230 +Jurbanite 471 + AlOHSO4 + H+ = Al+3 + SO4-2 + H2O + log_k -3.23 -Basaluminite 472 - Al4(OH)10SO4 + 10H+ = 4Al+3 + SO4-2 + 10H2O - log_k 22.7 +Basaluminite 472 + Al4(OH)10SO4 + 10 H+ = 4 Al+3 + SO4-2 + 10 H2O + log_k 22.7 -As_native 557 - As + 3H2O = H3AsO3 + 3H+ + 3e- - log_k -12.532 - delta_h 115.131 kJ +As_native 557 + As + 3 H2O = H3AsO3 + 3 H+ + 3 e- + log_k -12.532 + delta_h 115.131 kJ -As2O5(cr) 488 - As2O5 + 3H2O = 2H3AsO4 - log_k 8.228 - delta_h -31.619 kJ +As2O5(cr) 488 + As2O5 + 3 H2O = 2 H3AsO4 + log_k 8.228 + delta_h -31.619 kJ -AlAsO4:2H2O 489 - AlAsO4:2H2O = Al+3 + AsO4-3 + 2H2O - log_k -15.837 +AlAsO4:2H2O 489 + AlAsO4:2H2O = Al+3 + AsO4-3 + 2 H2O + log_k -15.837 -Ca3(AsO4)2:4w 490 - Ca3(AsO4)2:4H2O = 3Ca+2 + 2AsO4-3 + 4H2O - log_k -18.905 +Ca3(AsO4)2:4w 490 + Ca3(AsO4)2:4H2O = 3 Ca+2 + 2 AsO4-3 + 4 H2O + log_k -18.905 -Cu3(AsO4)2:6w 491 - Cu3(AsO4)2:6H2O = 3Cu+2 + 2AsO4-3 + 6H2O - log_k -35.123 +Cu3(AsO4)2:6w 491 + Cu3(AsO4)2:6H2O = 3 Cu+2 + 2 AsO4-3 + 6 H2O + log_k -35.123 -Scorodite 492 - FeAsO4:2H2O = Fe+3 + AsO4-3 + 2H2O - log_k -20.249 +Scorodite 492 + FeAsO4:2H2O = Fe+3 + AsO4-3 + 2 H2O + log_k -20.249 -Mn3(AsO4)2:8H2O 493 - Mn3(AsO4)2:8H2O = 3Mn+2 + 2AsO4-3 + 8H2O - log_k -28.707 +Mn3(AsO4)2:8H2O 493 + Mn3(AsO4)2:8H2O = 3 Mn+2 + 2 AsO4-3 + 8 H2O + log_k -28.707 -Ni3(AsO4)2:8H2O 494 - Ni3(AsO4)2:8H2O = 3Ni+2 + 2AsO4-3 + 8H2O - log_k -25.511 +Ni3(AsO4)2:8H2O 494 + Ni3(AsO4)2:8H2O = 3 Ni+2 + 2 AsO4-3 + 8 H2O + log_k -25.511 -Pb3(AsO4)2 495 - Pb3(AsO4)2 = 3Pb+2 + 2AsO4-3 - log_k -35.403 +Pb3(AsO4)2 495 + Pb3(AsO4)2 = 3 Pb+2 + 2 AsO4-3 + log_k -35.403 -Zn3(AsO4)2:2.5w 496 - Zn3(AsO4)2:2.5H2O = 3Zn+2 + 2AsO4-3 + 2.5H2O - log_k -27.546 +Zn3(AsO4)2:2.5w 496 + Zn3(AsO4)2:2.5H2O = 3 Zn+2 + 2 AsO4-3 + 2.5 H2O + log_k -27.546 -Arsenolite 497 -# As4O6 + 6H2O = 4H3AsO3 +Arsenolite 497 +# As4O6 + 6H2O = 4H3AsO3 # log_k -2.801 # delta_h 14.330 kcal - As2O3 + 3H2O = 2H3AsO3 - log_k -1.38 - delta_h 30.041 kJ + As2O3 + 3 H2O = 2 H3AsO3 + log_k -1.38 + delta_h 30.041 kJ -Claudetite 498 -# As4O6 + 6H2O = 4H3AsO3 +Claudetite 498 +# As4O6 + 6H2O = 4H3AsO3 # log_k -3.065 # delta_h 13.290 kcal - As2O3 + 3H2O = 2H3AsO3 - log_k -1.34 - delta_h 28.443 kJ + As2O3 + 3 H2O = 2 H3AsO3 + log_k -1.34 + delta_h 28.443 kJ -AsI3 499 - AsI3 + 3H2O = H3AsO3 + 3I- + 3H+ - log_k 4.155 +AsI3 499 + AsI3 + 3 H2O = H3AsO3 + 3 I- + 3 H+ + log_k 4.155 delta_h 1.875 kcal -Orpiment 500 - As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+ +Orpiment 500 + As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+ # log_k -60.971 # delta_h 82.890 kcal - log_k -46.3 - delta_h 263.1 kJ + log_k -46.3 + delta_h 263.1 kJ -As2S3(am) 132 - As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+ - log_k -44.9 - delta_h 244.2 kJ +As2S3(am) 132 + As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+ + log_k -44.9 + delta_h 244.2 kJ -Realgar 501 - AsS + 3H2O = H3AsO3 + HS- + 2H+ + e- +Realgar 501 + AsS + 3 H2O = H3AsO3 + HS- + 2 H+ + e- # log_k -19.747 # delta_h 30.545 kcal - log_k -19.944 - delta_h 129.2625 kJ + log_k -19.944 + delta_h 129.2625 kJ -BlaubleiI 533 - Cu0.9Cu0.2S + H+ = 0.9Cu+2 + 0.2Cu+ + HS- - log_k -24.162 +BlaubleiI 533 + Cu0.9Cu0.2S + H+ = 0.9 Cu+2 + 0.2 Cu+ + HS- + log_k -24.162 -BlaubleiII 534 - Cu0.6Cu0.8S + H+ = 0.6Cu+2 + 0.8Cu+ + HS- - log_k -27.279 +BlaubleiII 534 + Cu0.6Cu0.8S + H+ = 0.6 Cu+2 + 0.8 Cu+ + HS- + log_k -27.279 -Anilite 535 - Cu0.25Cu1.5S + H+ = 0.25Cu+2 + 1.5Cu+ + HS- - log_k -31.878 +Anilite 535 + Cu0.25Cu1.5S + H+ = 0.25 Cu+2 + 1.5 Cu+ + HS- + log_k -31.878 delta_h 43.535 kcal -Djurleite 536 - Cu0.066Cu1.868S + H+ = 0.066Cu+2 + 1.868Cu+ + HS- - log_k -33.920 +Djurleite 536 + Cu0.066Cu1.868S + H+ = 0.066 Cu+2 + 1.868 Cu+ + HS- + log_k -33.92 delta_h 47.881 kcal -Portlandite 539 - Ca(OH)2 + 2H+ = Ca+2 + 2H2O - log_k 22.8 - delta_h -31.0 kcal +Portlandite 539 + Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O + log_k 22.8 + delta_h -31 kcal -Ba3(AsO4)2 541 - Ba3(AsO4)2 = 3Ba+2 + 2AsO4-3 - log_k -50.110 +Ba3(AsO4)2 541 + Ba3(AsO4)2 = 3 Ba+2 + 2 AsO4-3 + log_k -50.11 delta_h 9.5 kcal -Se(s) 550 - Se + H+ + 2e- = HSe- - log_k -17.322 +Se(s) 550 + Se + H+ + 2 e- = HSe- + log_k -17.322 #SemetalSe4 551 -# Se + 3H2O = SeO3-2 + 6H+ + 4e- +# Se + 3H2O = SeO3-2 + 6H+ + 4e- # log_k -59.836 -FeSe2 552 - FeSe2 + 2H+ + 2e- = Fe+2 + 2HSe- - log_k -18.580 +FeSe2 552 + FeSe2 + 2 H+ + 2 e- = Fe+2 + 2 HSe- + log_k -18.58 -SeO2 553 - SeO2 + H2O = SeO3-2 + 2H+ - log_k -8.380 +SeO2 553 + SeO2 + H2O = SeO3-2 + 2 H+ + log_k -8.38 -CaSeO3 554 - CaSeO3 = Ca+2 + SeO3-2 - log_k -5.6 +CaSeO3 554 + CaSeO3 = Ca+2 + SeO3-2 + log_k -5.6 -BaSeO3 555 - BaSeO3 = Ba+2 + SeO3-2 - log_k -6.390 +BaSeO3 555 + BaSeO3 = Ba+2 + SeO3-2 + log_k -6.39 -Fe2(SeO3)3 556 - Fe2(SeO3)3 = 2Fe+3 + 3SeO3-2 - log_k -35.430 +Fe2(SeO3)3 556 + Fe2(SeO3)3 = 2 Fe+3 + 3 SeO3-2 + log_k -35.43 -Rhodochrosite 564 - MnCO3 = Mn+2 + CO3-2 - log_k -11.13 +Rhodochrosite 564 + MnCO3 = Mn+2 + CO3-2 + log_k -11.13 delta_h -1.43 kcal -Na4UO2(CO3)3 571 - Na4UO2(CO3)3 = 4Na+ + UO2+2 + 3CO3-2 - log_k -16.290 +Na4UO2(CO3)3 571 + Na4UO2(CO3)3 = 4 Na+ + UO2+2 + 3 CO3-2 + log_k -16.29 -Uraninite(c) 573 - UO2 + 4H+ = U+4 + 2H2O - log_k -4.8 - delta_h -18.610 kcal +Uraninite(c) 573 + UO2 + 4 H+ = U+4 + 2 H2O + log_k -4.8 + delta_h -18.61 kcal -UO2(a) 574 - UO2 + 4H+ = U+4 + 2H2O - log_k 0.1 +UO2(a) 574 + UO2 + 4 H+ = U+4 + 2 H2O + log_k 0.1 -U4O9(c) 575 - U4O9 + 18H+ + 2e- = 4U+4 + 9H2O - log_k -3.384 +U4O9(c) 575 + U4O9 + 18 H+ + 2 e- = 4 U+4 + 9 H2O + log_k -3.384 delta_h -101.235 kcal -U3O8(c) 576 - U3O8 + 16H+ + 4e- = 3U+4 + 8H2O - log_k 20.530 - delta_h -116.0 kcal +U3O8(c) 576 + U3O8 + 16 H+ + 4 e- = 3 U+4 + 8 H2O + log_k 20.53 + delta_h -116 kcal -Coffinite 577 - USiO4 + 4H+ = U+4 + H4SiO4 - log_k -7.670 +Coffinite 577 + USiO4 + 4 H+ = U+4 + H4SiO4 + log_k -7.67 delta_h -11.6 kcal -UF4(c) 584 - UF4 = U+4 + 4F- - log_k -18.606 +UF4(c) 584 + UF4 = U+4 + 4 F- + log_k -18.606 delta_h -18.9 kcal -UF4:2.5H2O 585 - UF4:2.5H2O = U+4 + 4F- + 2.5H2O - log_k -27.570 +UF4:2.5H2O 585 + UF4:2.5H2O = U+4 + 4 F- + 2.5 H2O + log_k -27.57 delta_h -0.588 kcal -U(OH)2SO4 591 - U(OH)2SO4 + 2H+ = U+4 + SO4-2 + 2H2O - log_k -3.2 +U(OH)2SO4 591 + U(OH)2SO4 + 2 H+ = U+4 + SO4-2 + 2 H2O + log_k -3.2 -UO2HPO4:4H2O 592 - UO2HPO4:4H2O = UO2+2 + HPO4-2 + 4H2O - log_k -11.850 +UO2HPO4:4H2O 592 + UO2HPO4:4H2O = UO2+2 + HPO4-2 + 4 H2O + log_k -11.85 -U(HPO4)2:4H2O 593 - U(HPO4)2:4H2O = U+4 + 2PO4-3 + 2H+ + 4H2O - log_k -55.3 - delta_h 3.840 kcal +U(HPO4)2:4H2O 593 + U(HPO4)2:4H2O = U+4 + 2 PO4-3 + 2 H+ + 4 H2O + log_k -55.3 + delta_h 3.84 kcal -Ningyoite 594 - CaU(PO4)2:2H2O = U+4 + Ca+2 + 2PO4-3 + 2H2O - log_k -53.906 - delta_h -2.270 kcal +Ningyoite 594 + CaU(PO4)2:2H2O = U+4 + Ca+2 + 2 PO4-3 + 2 H2O + log_k -53.906 + delta_h -2.27 kcal -UO3(gamma) 599 - UO3 + 2H+ = UO2+2 + H2O - log_k 7.719 +UO3(gamma) 599 + UO3 + 2 H+ = UO2+2 + H2O + log_k 7.719 delta_h -19.315 kcal -Gummite 600 - UO3 + 2H+ = UO2+2 + H2O - log_k 10.403 +Gummite 600 + UO3 + 2 H+ = UO2+2 + H2O + log_k 10.403 delta_h -23.015 kcal -B-UO2(OH)2 601 - UO2(OH)2 + 2H+ = UO2+2 + 2H2O - log_k 5.544 - delta_h -13.730 kcal +B-UO2(OH)2 601 + UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O + log_k 5.544 + delta_h -13.73 kcal -Schoepite 602 - UO2(OH)2:H2O + 2H+ = UO2+2 + 3H2O - log_k 5.404 +Schoepite 602 + UO2(OH)2:H2O + 2 H+ = UO2+2 + 3 H2O + log_k 5.404 delta_h -12.045 kcal -Rutherfordine 606 - UO2CO3 = UO2+2 + CO3-2 - log_k -14.450 - delta_h -1.440 kcal +Rutherfordine 606 + UO2CO3 = UO2+2 + CO3-2 + log_k -14.45 + delta_h -1.44 kcal -(UO2)3(PO4)2:4w 619 - (UO2)3(PO4)2:4H2O = 3UO2+2 + 2PO4-3 + 4H2O - log_k -37.4 +(UO2)3(PO4)2:4w 619 + (UO2)3(PO4)2:4H2O = 3 UO2+2 + 2 PO4-3 + 4 H2O + log_k -37.4 delta_h 41.5 kcal -H-Autunite 620 - H2(UO2)2(PO4)2 = 2H+ + 2UO2+2 + 2PO4-3 - log_k -47.931 +H-Autunite 620 + H2(UO2)2(PO4)2 = 2 H+ + 2 UO2+2 + 2 PO4-3 + log_k -47.931 delta_h -3.6 kcal -Na-Autunite 621 - Na2(UO2)2(PO4)2 = 2Na+ + 2UO2+2 + 2PO4-3 - log_k -47.409 - delta_h -0.460 kcal +Na-Autunite 621 + Na2(UO2)2(PO4)2 = 2 Na+ + 2 UO2+2 + 2 PO4-3 + log_k -47.409 + delta_h -0.46 kcal -K-Autunite 622 - K2(UO2)2(PO4)2 = 2K+ + 2UO2+2 + 2PO4-3 - log_k -48.244 - delta_h 5.860 kcal +K-Autunite 622 + K2(UO2)2(PO4)2 = 2 K+ + 2 UO2+2 + 2 PO4-3 + log_k -48.244 + delta_h 5.86 kcal -Uramphite 623 - (NH4)2(UO2)2(PO4)2 = 2NH4+ + 2UO2+2 + 2PO4-3 - log_k -51.749 +Uramphite 623 + (NH4)2(UO2)2(PO4)2 = 2 NH4+ + 2 UO2+2 + 2 PO4-3 + log_k -51.749 delta_h 9.7 kcal -Saleeite 624 - Mg(UO2)2(PO4)2 = Mg+2 + 2UO2+2 + 2PO4-3 - log_k -43.646 - delta_h -20.180 kcal +Saleeite 624 + Mg(UO2)2(PO4)2 = Mg+2 + 2 UO2+2 + 2 PO4-3 + log_k -43.646 + delta_h -20.18 kcal -Autunite 625 - Ca(UO2)2(PO4)2 = Ca+2 + 2UO2+2 + 2PO4-3 - log_k -43.927 - delta_h -14.340 kcal +Autunite 625 + Ca(UO2)2(PO4)2 = Ca+2 + 2 UO2+2 + 2 PO4-3 + log_k -43.927 + delta_h -14.34 kcal -Sr-Autunite 626 - Sr(UO2)2(PO4)2 = Sr+2 + 2UO2+2 + 2PO4-3 - log_k -44.457 - delta_h -13.050 kcal +Sr-Autunite 626 + Sr(UO2)2(PO4)2 = Sr+2 + 2 UO2+2 + 2 PO4-3 + log_k -44.457 + delta_h -13.05 kcal -Uranocircite 627 - Ba(UO2)2(PO4)2 = Ba+2 + 2UO2+2 + 2PO4-3 - log_k -44.631 +Uranocircite 627 + Ba(UO2)2(PO4)2 = Ba+2 + 2 UO2+2 + 2 PO4-3 + log_k -44.631 delta_h -10.1 kcal -Bassetite 628 - Fe(UO2)2(PO4)2 = Fe+2 + 2UO2+2 + 2PO4-3 - log_k -44.485 +Bassetite 628 + Fe(UO2)2(PO4)2 = Fe+2 + 2 UO2+2 + 2 PO4-3 + log_k -44.485 delta_h -19.9 kcal -Torbernite 629 - Cu(UO2)2(PO4)2 = Cu+2 + 2UO2+2 + 2PO4-3 - log_k -45.279 +Torbernite 629 + Cu(UO2)2(PO4)2 = Cu+2 + 2 UO2+2 + 2 PO4-3 + log_k -45.279 delta_h -15.9 kcal -Przhevalskite 630 - Pb(UO2)2(PO4)2 = Pb+2 + 2UO2+2 + 2PO4-3 - log_k -44.365 - delta_h -11.0 kcal +Przhevalskite 630 + Pb(UO2)2(PO4)2 = Pb+2 + 2 UO2+2 + 2 PO4-3 + log_k -44.365 + delta_h -11 kcal -Uranophane 632 - Ca(UO2)2(SiO3OH)2 + 6H+ = Ca+2 + 2UO2+2 + 2H4SiO4 - log_k 17.489 +Uranophane 632 + Ca(UO2)2(SiO3OH)2 + 6 H+ = Ca+2 + 2 UO2+2 + 2 H4SiO4 + log_k 17.489 -CO2(g) - CO2 = CO2 - log_k -1.468 +CO2(g) + CO2 = CO2 + log_k -1.468 delta_h -4.776 kcal - -analytical 108.3865 0.01985076 -6919.53 -40.45154 669365.0 + -analytical 108.3865 0.01985076 -6919.53 -40.45154 669365 O2(g) - O2 = O2 + O2 = O2 # log_k -2.960 # delta_h -1.844 kcal # log K from llnl.dat Aug 23, 2005 - log_k -2.8983 - -analytic -7.5001e+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005 + log_k -2.8983 + -analytic -7.5001e+0 7.8981e-3 0e+0 0e+0 2.0027e+5 H2(g) - H2 = H2 - log_k -3.150 + H2 = H2 + log_k -3.15 delta_h -1.759 kcal N2(g) - N2 = N2 - log_k -3.260 + N2 = N2 + log_k -3.26 delta_h -1.358 kcal H2S(g) - H2S = H2S - log_k -0.997 - delta_h -4.570 kcal + H2S = H2S + log_k -0.997 + delta_h -4.57 kcal CH4(g) - CH4 = CH4 - log_k -2.860 + CH4 = CH4 + log_k -2.86 delta_h -3.373 kcal NH3(g) - NH3 = NH3 - log_k 1.770 - delta_h -8.170 kcal + NH3 = NH3 + log_k 1.77 + delta_h -8.17 kcal EXCHANGE_MASTER_SPECIES - X X- + X X- EXCHANGE_SPECIES X- = X- - log_k 0.0 + log_k 0 Na+ + X- = NaX - log_k 0.0 + log_k 0 K+ + X- = KX - log_k 0.7 + log_k 0.7 Li+ + X- = LiX - log_k -0.08 + log_k -0.08 H+ + X- = HX - log_k 1.0 + log_k 1 NH4+ + X- = NH4X - log_k 0.6 + log_k 0.6 - Ca+2 + 2X- = CaX2 - log_k 0.8 + Ca+2 + 2 X- = CaX2 + log_k 0.8 - Mg+2 + 2X- = MgX2 - log_k 0.6 + Mg+2 + 2 X- = MgX2 + log_k 0.6 - Sr+2 + 2X- = SrX2 - log_k 0.91 + Sr+2 + 2 X- = SrX2 + log_k 0.91 - Ba+2 + 2X- = BaX2 - log_k 0.91 + Ba+2 + 2 X- = BaX2 + log_k 0.91 - Mn+2 + 2X- = MnX2 - log_k 0.52 + Mn+2 + 2 X- = MnX2 + log_k 0.52 - Fe+2 + 2X- = FeX2 - log_k 0.44 + Fe+2 + 2 X- = FeX2 + log_k 0.44 - Cu+2 + 2X- = CuX2 - log_k 0.6 + Cu+2 + 2 X- = CuX2 + log_k 0.6 - Zn+2 + 2X- = ZnX2 - log_k 0.8 + Zn+2 + 2 X- = ZnX2 + log_k 0.8 - Cd+2 + 2X- = CdX2 - log_k 0.8 + Cd+2 + 2 X- = CdX2 + log_k 0.8 - Pb+2 + 2X- = PbX2 - log_k 1.05 + Pb+2 + 2 X- = PbX2 + log_k 1.05 - Al+3 + 3X- = AlX3 - log_k 0.67 + Al+3 + 3 X- = AlX3 + log_k 0.67 SURFACE_MASTER_SPECIES - Hfo_s Hfo_sOH - Hfo_w Hfo_wOH + Hfo_s Hfo_sOH + Hfo_w Hfo_wOH SURFACE_SPECIES -# All surface data from +# All surface data from # Dzombak and Morel, 1990 # # # Acid-base data from table 5.7 # -# strong binding site--Hfo_s, +# strong binding site--Hfo_s, Hfo_sOH = Hfo_sOH - log_k 0.0 + log_k 0 - Hfo_sOH + H+ = Hfo_sOH2+ - log_k 7.29 # = pKa1,int + Hfo_sOH + H+ = Hfo_sOH2+ + log_k 7.29 # = pKa1,int Hfo_sOH = Hfo_sO- + H+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int # weak binding site--Hfo_w Hfo_wOH = Hfo_wOH - log_k 0.0 + log_k 0 - Hfo_wOH + H+ = Hfo_wOH2+ - log_k 7.29 # = pKa1,int + Hfo_wOH + H+ = Hfo_wOH2+ + log_k 7.29 # = pKa1,int Hfo_wOH = Hfo_wO- + H+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int ############################################### # CATIONS # @@ -3552,64 +3556,64 @@ SURFACE_SPECIES # # Calcium Hfo_sOH + Ca+2 = Hfo_sOHCa+2 - log_k 4.97 + log_k 4.97 Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ log_k -5.85 # Strontium Hfo_sOH + Sr+2 = Hfo_sOHSr+2 - log_k 5.01 + log_k 5.01 Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+ log_k -6.58 - Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+ - log_k -17.60 + Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+ + log_k -17.6 # Barium Hfo_sOH + Ba+2 = Hfo_sOHBa+2 - log_k 5.46 + log_k 5.46 Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+ - log_k -7.2 # table 10.5 + log_k -7.2 # table 10.5 # # Cations from table 10.2 # # Silver Hfo_sOH + Ag+ = Hfo_sOAg + H+ - log_k -1.72 + log_k -1.72 Hfo_wOH + Ag+ = Hfo_wOAg + H+ - log_k -5.3 # table 10.5 + log_k -5.3 # table 10.5 # Nickel Hfo_sOH + Ni+2 = Hfo_sONi+ + H+ - log_k 0.37 + log_k 0.37 Hfo_wOH + Ni+2 = Hfo_wONi+ + H+ - log_k -2.5 # table 10.5 + log_k -2.5 # table 10.5 # Cadmium Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+ - log_k 0.47 + log_k 0.47 Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+ - log_k -2.91 + log_k -2.91 # Zinc Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+ - log_k 0.99 + log_k 0.99 Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+ - log_k -1.99 + log_k -1.99 # Copper Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+ - log_k 2.89 + log_k 2.89 Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+ - log_k 0.6 # table 10.5 + log_k 0.6 # table 10.5 # Lead Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+ - log_k 4.65 + log_k 4.65 Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+ - log_k 0.3 # table 10.5 + log_k 0.3 # table 10.5 # # Derived constants table 10.5 # @@ -3619,17 +3623,17 @@ SURFACE_SPECIES # Manganese Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+ - log_k -0.4 # table 10.5 + log_k -0.4 # table 10.5 Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+ - log_k -3.5 # table 10.5 + log_k -3.5 # table 10.5 # Uranyl Hfo_sOH + UO2+2 = Hfo_sOUO2+ + H+ - log_k 5.2 # table 10.5 + log_k 5.2 # table 10.5 Hfo_wOH + UO2+2 = Hfo_wOUO2+ + H+ - log_k 2.8 # table 10.5 + log_k 2.8 # table 10.5 # Iron # Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ @@ -3641,83 +3645,83 @@ SURFACE_SPECIES # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm. Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ - log_k -0.95 + log_k -0.95 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+ log_k -2.98 - Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+ + Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2 H+ log_k -11.55 ############################################### # ANIONS # ############################################### # -# Anions from table 10.6 +# Anions from table 10.6 # # Phosphate - Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O - log_k 31.29 + Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O + log_k 31.29 - Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O - log_k 25.39 + Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O + log_k 25.39 Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O - log_k 17.72 + log_k 17.72 # Arsenate - Hfo_wOH + AsO4-3 + 3H+ = Hfo_wH2AsO4 + H2O - log_k 29.31 + Hfo_wOH + AsO4-3 + 3 H+ = Hfo_wH2AsO4 + H2O + log_k 29.31 - Hfo_wOH + AsO4-3 + 2H+ = Hfo_wHAsO4- + H2O - log_k 23.51 + Hfo_wOH + AsO4-3 + 2 H+ = Hfo_wHAsO4- + H2O + log_k 23.51 Hfo_wOH + AsO4-3 = Hfo_wOHAsO4-3 - log_k 10.58 + log_k 10.58 # # Anions from table 10.7 # # Arsenite Hfo_wOH + H3AsO3 = Hfo_wH2AsO3 + H2O - log_k 5.41 + log_k 5.41 # Borate Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O - log_k 0.62 + log_k 0.62 # # Anions from table 10.8 # # Sulfate Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O - log_k 7.78 + log_k 7.78 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 - log_k 0.79 + log_k 0.79 # Selenate Hfo_wOH + SeO4-2 + H+ = Hfo_wSeO4- + H2O - log_k 7.73 + log_k 7.73 Hfo_wOH + SeO4-2 = Hfo_wOHSeO4-2 - log_k 0.80 + log_k 0.8 # Selenite Hfo_wOH + SeO3-2 + H+ = Hfo_wSeO3- + H2O - log_k 12.69 + log_k 12.69 Hfo_wOH + SeO3-2 = Hfo_wOHSeO3-2 - log_k 5.17 + log_k 5.17 # # Derived constants table 10.10 # Hfo_wOH + F- + H+ = Hfo_wF + H2O - log_k 8.7 + log_k 8.7 Hfo_wOH + F- = Hfo_wOHF- - log_k 1.6 + log_k 1.6 # # Carbonate: Van Geen et al., 1994 reoptimized for HFO # 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L # # Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O # log_k 12.56 -# +# # Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O # log_k 20.62 @@ -3727,7 +3731,7 @@ RATES #K-feldspar ########### # -# Sverdrup, H.U., 1990, The kinetics of base cation release due to +# Sverdrup, H.U., 1990, The kinetics of base cation release due to # chemical weathering: Lund University Press, Lund, 246 p. # # Example of KINETICS data block for K-feldspar rate: @@ -3742,28 +3746,28 @@ K-feldspar 1 rem specific rate from Sverdrup, 1990, in kmol/m2/s 2 rem parm(1) = 10 * (A/V, 1/dm) (recalc's sp. rate to mol/kgw) 3 rem parm(2) = corrects for field rate relative to lab rate - 4 rem temp corr: from p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298) - - 10 dif_temp = 1/TK - 1/298 - 20 pk_H = 12.5 + 3134 * dif_temp - 30 pk_w = 15.3 + 1838 * dif_temp - 40 pk_OH = 14.2 + 3134 * dif_temp - 50 pk_CO2 = 14.6 + 1677 * dif_temp + 4 rem temp corr: from p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298) + + 10 dif_temp = 1/TK - 1/298 + 20 pk_H = 12.5 + 3134 * dif_temp + 30 pk_w = 15.3 + 1838 * dif_temp + 40 pk_OH = 14.2 + 3134 * dif_temp + 50 pk_CO2 = 14.6 + 1677 * dif_temp #60 pk_org = 13.9 + 1254 * dif_temp # rate increase with DOC - 70 rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3 - 71 rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6 + 70 rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3 + 71 rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6 #72 rate = rate + 10^-pk_org * TOT("Doc")^0.4 - 80 moles = parm(1) * parm(2) * rate * (1 - SR("K-feldspar")) * time + 80 moles = parm(1) * parm(2) * rate * (1 - SR("K-feldspar")) * time 81 rem decrease rate on precipitation - 90 if SR("K-feldspar") > 1 then moles = moles * 0.1 - 100 save moles + 90 if SR("K-feldspar") > 1 then moles = moles * 0.1 + 100 save moles -end ########### #Albite ########### # -# Sverdrup, H.U., 1990, The kinetics of base cation release due to +# Sverdrup, H.U., 1990, The kinetics of base cation release due to # chemical weathering: Lund University Press, Lund, 246 p. # # Example of KINETICS data block for Albite rate: @@ -3777,70 +3781,70 @@ Albite 1 rem specific rate from Sverdrup, 1990, in kmol/m2/s 2 rem parm(1) = 10 * (A/V, 1/dm) (recalc's sp. rate to mol/kgw) 3 rem parm(2) = corrects for field rate relative to lab rate - 4 rem temp corr: from p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298) - - 10 dif_temp = 1/TK - 1/298 - 20 pk_H = 12.5 + 3359 * dif_temp - 30 pk_w = 14.8 + 2648 * dif_temp - 40 pk_OH = 13.7 + 3359 * dif_temp + 4 rem temp corr: from p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/298) + + 10 dif_temp = 1/TK - 1/298 + 20 pk_H = 12.5 + 3359 * dif_temp + 30 pk_w = 14.8 + 2648 * dif_temp + 40 pk_OH = 13.7 + 3359 * dif_temp #41 rem ^12.9 in Sverdrup, but larger than for oligoclase... - 50 pk_CO2 = 14.0 + 1677 * dif_temp + 50 pk_CO2 = 14 + 1677 * dif_temp #60 pk_org = 12.5 + 1254 * dif_temp # ...rate increase for DOC - 70 rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3 - 71 rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6 + 70 rate = 10^-pk_H * ACT("H+")^0.5 + 10^-pk_w + 10^-pk_OH * ACT("OH-")^0.3 + 71 rate = rate + 10^-pk_CO2 * (10^SI("CO2(g)"))^0.6 #72 rate = rate + 10^-pk_org * TOT("Doc")^0.4 - 80 moles = parm(1) * parm(2) * rate * (1 - SR("Albite")) * time + 80 moles = parm(1) * parm(2) * rate * (1 - SR("Albite")) * time 81 rem decrease rate on precipitation - 90 if SR("Albite") > 1 then moles = moles * 0.1 - 100 save moles + 90 if SR("Albite") > 1 then moles = moles * 0.1 + 100 save moles -end ######## #Calcite ######## # -# Plummer, L.N., Wigley, T.M.L., and Parkhurst, D.L., 1978, +# Plummer, L.N., Wigley, T.M.L., and Parkhurst, D.L., 1978, # American Journal of Science, v. 278, p. 179-216. # # Example of KINETICS data block for calcite rate: # # KINETICS 1 -# Calcite +# Calcite # -tol 1e-8 # -m0 3.e-3 # -m 3.e-3 # -parms 5.0 0.6 Calcite -start - 1 REM Modified from Plummer and others, 1978 - 2 REM M = current moles of calcite - 3 REM M0 = initial moles of calcite - 4 REM parm(1) = Area/Volume, cm^2/L (or cm^2 per cell) - 5 REM parm(2) = exponent for M/M0 for surface area correction - 10 REM rate = 0 if no calcite and undersaturated - 20 si_cc = SI("Calcite") - 30 if (M <= 0 and si_cc < 0) then goto 300 - 40 k1 = 10^(0.198 - 444.0 / TK ) - 50 k2 = 10^(2.84 - 2177.0 / TK ) - 60 if TC <= 25 then k3 = 10^(-5.86 - 317.0 / TK ) - 70 if TC > 25 then k3 = 10^(-1.1 - 1737.0 / TK ) - 80 REM surface area calculation - 90 t = 1 - 100 if M0 > 0 then t = M/M0 - 110 if t = 0 then t = 1 - 120 area = PARM(1) * (t)^PARM(2) - 130 rf = k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O") + 1 REM Modified from Plummer and others, 1978 + 2 REM M = current moles of calcite + 3 REM M0 = initial moles of calcite + 4 REM parm(1) = Area/Volume, cm^2/L (or cm^2 per cell) + 5 REM parm(2) = exponent for M/M0 for surface area correction + 10 REM rate = 0 if no calcite and undersaturated + 20 si_cc = SI("Calcite") + 30 if (M <= 0 and si_cc < 0) then goto 300 + 40 k1 = 10^(0.198 - 444 / TK ) + 50 k2 = 10^(2.84 - 2177 / TK ) + 60 if TC <= 25 then k3 = 10^(-5.86 - 317 / TK ) + 70 if TC > 25 then k3 = 10^(-1.1 - 1737 / TK ) + 80 REM surface area calculation + 90 t = 1 + 100 if M0 > 0 then t = M/M0 + 110 if t = 0 then t = 1 + 120 area = PARM(1) * (t)^PARM(2) + 130 rf = k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O") 140 REM 1e-3 converts mmol to mol - 150 rate = area * 1e-3 * rf * (1 - 10^(2/3*si_cc)) - 160 moles = rate * TIME + 150 rate = area * 1e-3 * rf * (1 - 10^(2/3*si_cc)) + 160 moles = rate * TIME 170 REM do not dissolve more calcite than present - 180 if (moles > M) then moles = M - 190 if (moles >= 0) then goto 300 + 180 if (moles > M) then moles = M + 190 if (moles >= 0) then goto 300 200 REM do not precipitate more Ca or C(4) than present - 210 temp = TOT("Ca") - 220 mc = TOT("C(4)") - 230 if mc < temp then temp = mc - 240 if -moles > temp then moles = -temp + 210 temp = TOT("Ca") + 220 mc = TOT("C(4)") + 230 if mc < temp then temp = mc + 240 if -moles > temp then moles = -temp 300 SAVE moles -end @@ -3848,26 +3852,26 @@ Calcite #Pyrite ####### # -# Williamson, M.A. and Rimstidt, J.D., 1994, +# Williamson, M.A. and Rimstidt, J.D., 1994, # Geochimica et Cosmochimica Acta, v. 58, p. 5443-5454. # # Example of KINETICS data block for pyrite rate: # KINETICS 1 -# Pyrite +# Pyrite # -tol 1e-8 # -m0 5.e-4 # -m 5.e-4 -# -parms 2.0 0.67 .5 -0.11 +# -parms 2.0 0.67 .5 -0.11 Pyrite -start - 1 rem Williamson and Rimstidt, 1994 - 2 rem parm(1) = log10(A/V, 1/dm) parm(2) = exp for (m/m0) - 3 rem parm(3) = exp for O2 parm(4) = exp for H+ - + 1 rem Williamson and Rimstidt, 1994 + 2 rem parm(1) = log10(A/V, 1/dm) parm(2) = exp for (m/m0) + 3 rem parm(3) = exp for O2 parm(4) = exp for H+ + 10 if (m <= 0) then goto 200 20 if (si("Pyrite") >= 0) then goto 200 - 25 rate = -10.19 + parm(1) + parm(3)*lm("O2") + parm(4)*lm("H+") + parm(2)*log10(m/m0) - 30 moles = 10^rate * time + 25 rate = -10.19 + parm(1) + parm(3)*lm("O2") + parm(4)*lm("H+") + parm(2)*log10(m/m0) + 30 moles = 10^rate * time 40 if (moles > m) then moles = m 200 save moles -end @@ -3885,16 +3889,16 @@ Pyrite # -m 5e-3 Organic_C -start - 1 rem Additive Monod kinetics - 2 rem Electron acceptors: O2, NO3, and SO4 + 1 rem Additive Monod kinetics + 2 rem Electron acceptors: O2, NO3, and SO4 10 if (m <= 0) then goto 200 - 20 mO2 = mol("O2") - 30 mNO3 = tot("N(5)") - 40 mSO4 = tot("S(6)") - 50 rate = 1.57e-9*mO2/(2.94e-4 + mO2) + 1.67e-11*mNO3/(1.55e-4 + mNO3) - 60 rate = rate + 1.e-13*mSO4/(1.e-4 + mSO4) - 70 moles = rate * m * (m/m0) * time + 20 mO2 = mol("O2") + 30 mNO3 = tot("N(5)") + 40 mSO4 = tot("S(6)") + 50 rate = 1.57e-9*mO2/(2.94e-4 + mO2) + 1.67e-11*mNO3/(1.55e-4 + mNO3) + 60 rate = rate + 1.e-13*mSO4/(1.e-4 + mSO4) + 70 moles = rate * m * (m/m0) * time 80 if (moles > m) then moles = m 200 save moles -end @@ -3913,222 +3917,222 @@ Organic_C # -m 0.1 Pyrolusite -start - 5 if (m <= 0.0) then goto 200 - 7 sr_pl = sr("Pyrolusite") - 9 if abs(1 - sr_pl) < 0.1 then goto 200 - 10 if (sr_pl > 1.0) then goto 100 + 5 if (m <= 0.0) then goto 200 + 7 sr_pl = sr("Pyrolusite") + 9 if abs(1 - sr_pl) < 0.1 then goto 200 + 10 if (sr_pl > 1.0) then goto 100 #20 rem initially 1 mol Fe+2 = 0.5 mol pyrolusite. k*A/V = 1/time (3 cells) #22 rem time (3 cells) = 1.432e4. 1/time = 6.98e-5 - 30 Fe_t = tot("Fe(2)") - 32 if Fe_t < 1.e-8 then goto 200 - 40 moles = 6.98e-5 * Fe_t * (m/m0)^0.67 * time * (1 - sr_pl) - 50 if moles > Fe_t / 2 then moles = Fe_t / 2 - 70 if moles > m then moles = m - 90 goto 200 - 100 Mn_t = tot("Mn") - 110 moles = 2e-3 * 6.98e-5 * (1-sr_pl) * time - 120 if moles <= -Mn_t then moles = -Mn_t - 200 save moles + 30 Fe_t = tot("Fe(2)") + 32 if Fe_t < 1e-8 then goto 200 + 40 moles = 6.98e-5 * Fe_t * (m/m0)^0.67 * time * (1 - sr_pl) + 50 if moles > Fe_t / 2 then moles = Fe_t / 2 + 70 if moles > m then moles = m + 90 goto 200 + 100 Mn_t = tot("Mn") + 110 moles = 2e-3 * 6.98e-5 * (1-sr_pl) * time + 120 if moles <= -Mn_t then moles = -Mn_t + 200 save moles -end SURFACE_MASTER_SPECIES # Monodentate 60% - H_a H_aH; H_b H_bH; H_c H_cH; H_d H_dH - H_e H_eH; H_f H_fH; H_g H_gH; H_h H_hH + H_a H_aH; H_b H_bH; H_c H_cH; H_d H_dH + H_e H_eH; H_f H_fH; H_g H_gH; H_h H_hH # Diprotic 40% H_ab H_abH2; H_ad H_adH2; H_af H_afH2; H_ah H_ahH2 H_bc H_bcH2; H_be H_beH2; H_bg H_bgH2; H_cd H_cdH2 H_cf H_cfH2; H_ch H_chH2; H_de H_deH2; H_dg H_dgH2 SURFACE_SPECIES - H_aH = H_aH; log_k 0; H_bH = H_bH; log_k 0; H_cH = H_cH; log_k 0; H_dH = H_dH; log_k 0; - H_eH = H_eH; log_k 0; H_fH = H_fH; log_k 0; H_gH = H_gH; log_k 0; H_hH = H_hH; log_k 0; + H_aH = H_aH; log_k 0; H_bH = H_bH; log_k 0; H_cH = H_cH; log_k 0; H_dH = H_dH; log_k 0 + H_eH = H_eH; log_k 0; H_fH = H_fH; log_k 0; H_gH = H_gH; log_k 0; H_hH = H_hH; log_k 0 - H_abH2 = H_abH2; log_k 0; H_adH2 = H_adH2; log_k 0; H_afH2 = H_afH2; log_k 0; - H_ahH2 = H_ahH2; log_k 0; H_bcH2 = H_bcH2; log_k 0; H_beH2 = H_beH2; log_k 0; - H_bgH2 = H_bgH2; log_k 0; H_cdH2 = H_cdH2; log_k 0; H_cfH2 = H_cfH2; log_k 0; - H_chH2 = H_chH2; log_k 0; H_deH2 = H_deH2; log_k 0; H_dgH2 = H_dgH2; log_k 0; + H_abH2 = H_abH2; log_k 0; H_adH2 = H_adH2; log_k 0; H_afH2 = H_afH2; log_k 0 + H_ahH2 = H_ahH2; log_k 0; H_bcH2 = H_bcH2; log_k 0; H_beH2 = H_beH2; log_k 0 + H_bgH2 = H_bgH2; log_k 0; H_cdH2 = H_cdH2; log_k 0; H_cfH2 = H_cfH2; log_k 0 + H_chH2 = H_chH2; log_k 0; H_deH2 = H_deH2; log_k 0; H_dgH2 = H_dgH2; log_k 0 # Protons - H_aH = H_a- + H+; log_k -1.59 - H_bH = H_b- + H+; log_k -2.70 - H_cH = H_c- + H+; log_k -3.82 - H_dH = H_d- + H+; log_k -4.93 - - H_eH = H_e- + H+; log_k -6.88 - H_fH = H_f- + H+; log_k -8.72 - H_gH = H_g- + H+; log_k -10.56 - H_hH = H_h- + H+; log_k -12.40 - - H_abH2 = H_abH- + H+; log_k -1.59; H_abH- = H_ab-2 + H+; log_k -2.70 + H_aH = H_a- + H+; log_k -1.59 + H_bH = H_b- + H+; log_k -2.7 + H_cH = H_c- + H+; log_k -3.82 + H_dH = H_d- + H+; log_k -4.93 + + H_eH = H_e- + H+; log_k -6.88 + H_fH = H_f- + H+; log_k -8.72 + H_gH = H_g- + H+; log_k -10.56 + H_hH = H_h- + H+; log_k -12.4 + + H_abH2 = H_abH- + H+; log_k -1.59; H_abH- = H_ab-2 + H+; log_k -2.7 H_adH2 = H_adH- + H+; log_k -1.59; H_adH- = H_ad-2 + H+; log_k -4.93 H_afH2 = H_afH- + H+; log_k -1.59; H_afH- = H_af-2 + H+; log_k -8.72 - H_ahH2 = H_ahH- + H+; log_k -1.59; H_ahH- = H_ah-2 + H+; log_k -12.40 - H_bcH2 = H_bcH- + H+; log_k -2.70; H_bcH- = H_bc-2 + H+; log_k -3.82 - H_beH2 = H_beH- + H+; log_k -2.70; H_beH- = H_be-2 + H+; log_k -6.88 - H_bgH2 = H_bgH- + H+; log_k -2.70; H_bgH- = H_bg-2 + H+; log_k -10.56 + H_ahH2 = H_ahH- + H+; log_k -1.59; H_ahH- = H_ah-2 + H+; log_k -12.4 + H_bcH2 = H_bcH- + H+; log_k -2.7; H_bcH- = H_bc-2 + H+; log_k -3.82 + H_beH2 = H_beH- + H+; log_k -2.7; H_beH- = H_be-2 + H+; log_k -6.88 + H_bgH2 = H_bgH- + H+; log_k -2.7; H_bgH- = H_bg-2 + H+; log_k -10.56 H_cdH2 = H_cdH- + H+; log_k -3.82; H_cdH- = H_cd-2 + H+; log_k -4.93 H_cfH2 = H_cfH- + H+; log_k -3.82; H_cfH- = H_cf-2 + H+; log_k -8.72 - H_chH2 = H_chH- + H+; log_k -3.82; H_chH- = H_ch-2 + H+; log_k -12.40 + H_chH2 = H_chH- + H+; log_k -3.82; H_chH- = H_ch-2 + H+; log_k -12.4 H_deH2 = H_deH- + H+; log_k -4.93; H_deH- = H_de-2 + H+; log_k -6.88 H_dgH2 = H_dgH- + H+; log_k -4.93; H_dgH- = H_dg-2 + H+; log_k -10.56 # Mg From Lofts and Tipping, 2000 - H_aH + Mg+2 = H_aMg+ + H+; log_k -3.30 - H_bH + Mg+2 = H_bMg+ + H+; log_k -3.30 - H_cH + Mg+2 = H_cMg+ + H+; log_k -3.30 - H_dH + Mg+2 = H_dMg+ + H+; log_k -3.30 - - H_eH + Mg+2 = H_eMg+ + H+; log_k -7.12 - H_fH + Mg+2 = H_fMg+ + H+; log_k -7.12 - H_gH + Mg+2 = H_gMg+ + H+; log_k -7.12 - H_hH + Mg+2 = H_hMg+ + H+; log_k -7.12 - - H_abH2 + Mg+2 = H_abMg + 2H+; log_k -6.60 - H_adH2 + Mg+2 = H_adMg + 2H+; log_k -6.60 - H_afH2 + Mg+2 = H_afMg + 2H+; log_k -10.42 - H_ahH2 + Mg+2 = H_ahMg + 2H+; log_k -10.42 - H_bcH2 + Mg+2 = H_bcMg + 2H+; log_k -6.60 - H_beH2 + Mg+2 = H_beMg + 2H+; log_k -10.42 - H_bgH2 + Mg+2 = H_bgMg + 2H+; log_k -10.42 - H_cdH2 + Mg+2 = H_cdMg + 2H+; log_k -6.60 - H_cfH2 + Mg+2 = H_cfMg + 2H+; log_k -10.42 - H_chH2 + Mg+2 = H_chMg + 2H+; log_k -10.42 - H_deH2 + Mg+2 = H_deMg + 2H+; log_k -10.42 - H_dgH2 + Mg+2 = H_dgMg + 2H+; log_k -10.42 + H_aH + Mg+2 = H_aMg+ + H+; log_k -3.3 + H_bH + Mg+2 = H_bMg+ + H+; log_k -3.3 + H_cH + Mg+2 = H_cMg+ + H+; log_k -3.3 + H_dH + Mg+2 = H_dMg+ + H+; log_k -3.3 + + H_eH + Mg+2 = H_eMg+ + H+; log_k -7.12 + H_fH + Mg+2 = H_fMg+ + H+; log_k -7.12 + H_gH + Mg+2 = H_gMg+ + H+; log_k -7.12 + H_hH + Mg+2 = H_hMg+ + H+; log_k -7.12 + + H_abH2 + Mg+2 = H_abMg + 2 H+; log_k -6.6 + H_adH2 + Mg+2 = H_adMg + 2 H+; log_k -6.6 + H_afH2 + Mg+2 = H_afMg + 2 H+; log_k -10.42 + H_ahH2 + Mg+2 = H_ahMg + 2 H+; log_k -10.42 + H_bcH2 + Mg+2 = H_bcMg + 2 H+; log_k -6.6 + H_beH2 + Mg+2 = H_beMg + 2 H+; log_k -10.42 + H_bgH2 + Mg+2 = H_bgMg + 2 H+; log_k -10.42 + H_cdH2 + Mg+2 = H_cdMg + 2 H+; log_k -6.6 + H_cfH2 + Mg+2 = H_cfMg + 2 H+; log_k -10.42 + H_chH2 + Mg+2 = H_chMg + 2 H+; log_k -10.42 + H_deH2 + Mg+2 = H_deMg + 2 H+; log_k -10.42 + H_dgH2 + Mg+2 = H_dgMg + 2 H+; log_k -10.42 # Calcium, Lofts and Tipping, 2000 - H_aH + Ca+2 = H_aCa+ + H+; log_k -3.20 - H_bH + Ca+2 = H_bCa+ + H+; log_k -3.20 - H_cH + Ca+2 = H_cCa+ + H+; log_k -3.20 - H_dH + Ca+2 = H_dCa+ + H+; log_k -3.20 - - H_eH + Ca+2 = H_eCa+ + H+; log_k -6.99 - H_fH + Ca+2 = H_fCa+ + H+; log_k -6.99 - H_gH + Ca+2 = H_gCa+ + H+; log_k -6.99 - H_hH + Ca+2 = H_hCa+ + H+; log_k -6.99 - - H_abH2 + Ca+2 = H_abCa + 2H+; log_k -6.40 - H_adH2 + Ca+2 = H_adCa + 2H+; log_k -6.40 - H_afH2 + Ca+2 = H_afCa + 2H+; log_k -7.45 - H_ahH2 + Ca+2 = H_ahCa + 2H+; log_k -10.2 - H_bcH2 + Ca+2 = H_bcCa + 2H+; log_k -6.40 - H_beH2 + Ca+2 = H_beCa + 2H+; log_k -10.2 - H_bgH2 + Ca+2 = H_bgCa + 2H+; log_k -10.2 - H_cdH2 + Ca+2 = H_cdCa + 2H+; log_k -6.40 - H_cfH2 + Ca+2 = H_cfCa + 2H+; log_k -10.2 - H_chH2 + Ca+2 = H_chCa + 2H+; log_k -10.2 - H_deH2 + Ca+2 = H_deCa + 2H+; log_k -10.2 - H_dgH2 + Ca+2 = H_dgCa + 2H+; log_k -10.2 + H_aH + Ca+2 = H_aCa+ + H+; log_k -3.2 + H_bH + Ca+2 = H_bCa+ + H+; log_k -3.2 + H_cH + Ca+2 = H_cCa+ + H+; log_k -3.2 + H_dH + Ca+2 = H_dCa+ + H+; log_k -3.2 + + H_eH + Ca+2 = H_eCa+ + H+; log_k -6.99 + H_fH + Ca+2 = H_fCa+ + H+; log_k -6.99 + H_gH + Ca+2 = H_gCa+ + H+; log_k -6.99 + H_hH + Ca+2 = H_hCa+ + H+; log_k -6.99 + + H_abH2 + Ca+2 = H_abCa + 2 H+; log_k -6.4 + H_adH2 + Ca+2 = H_adCa + 2 H+; log_k -6.4 + H_afH2 + Ca+2 = H_afCa + 2 H+; log_k -7.45 + H_ahH2 + Ca+2 = H_ahCa + 2 H+; log_k -10.2 + H_bcH2 + Ca+2 = H_bcCa + 2 H+; log_k -6.4 + H_beH2 + Ca+2 = H_beCa + 2 H+; log_k -10.2 + H_bgH2 + Ca+2 = H_bgCa + 2 H+; log_k -10.2 + H_cdH2 + Ca+2 = H_cdCa + 2 H+; log_k -6.4 + H_cfH2 + Ca+2 = H_cfCa + 2 H+; log_k -10.2 + H_chH2 + Ca+2 = H_chCa + 2 H+; log_k -10.2 + H_deH2 + Ca+2 = H_deCa + 2 H+; log_k -10.2 + H_dgH2 + Ca+2 = H_dgCa + 2 H+; log_k -10.2 # Nickel - H_aH + Ni+2 = H_aNi+ + H+; log_k -1.4 - H_bH + Ni+2 = H_bNi+ + H+; log_k -1.4 - H_cH + Ni+2 = H_cNi+ + H+; log_k -1.4 - H_dH + Ni+2 = H_dNi+ + H+; log_k -1.4 - - H_eH + Ni+2 = H_eNi+ + H+; log_k -4.5 - H_fH + Ni+2 = H_fNi+ + H+; log_k -4.5 - H_gH + Ni+2 = H_gNi+ + H+; log_k -4.5 - H_hH + Ni+2 = H_hNi+ + H+; log_k -4.5 - - H_abH2 + Ni+2 = H_abNi + 2H+; log_k -2.8 - H_adH2 + Ni+2 = H_adNi + 2H+; log_k -2.8 - H_afH2 + Ni+2 = H_afNi + 2H+; log_k -5.9 - H_ahH2 + Ni+2 = H_ahNi + 2H+; log_k -5.9 - H_bcH2 + Ni+2 = H_bcNi + 2H+; log_k -2.8 - H_beH2 + Ni+2 = H_beNi + 2H+; log_k -5.9 - H_bgH2 + Ni+2 = H_bgNi + 2H+; log_k -5.9 - H_cdH2 + Ni+2 = H_cdNi + 2H+; log_k -2.8 - H_cfH2 + Ni+2 = H_cfNi + 2H+; log_k -5.9 - H_chH2 + Ni+2 = H_chNi + 2H+; log_k -5.9 - H_deH2 + Ni+2 = H_deNi + 2H+; log_k -5.9 - H_dgH2 + Ni+2 = H_dgNi + 2H+; log_k -5.9 + H_aH + Ni+2 = H_aNi+ + H+; log_k -1.4 + H_bH + Ni+2 = H_bNi+ + H+; log_k -1.4 + H_cH + Ni+2 = H_cNi+ + H+; log_k -1.4 + H_dH + Ni+2 = H_dNi+ + H+; log_k -1.4 + + H_eH + Ni+2 = H_eNi+ + H+; log_k -4.5 + H_fH + Ni+2 = H_fNi+ + H+; log_k -4.5 + H_gH + Ni+2 = H_gNi+ + H+; log_k -4.5 + H_hH + Ni+2 = H_hNi+ + H+; log_k -4.5 + + H_abH2 + Ni+2 = H_abNi + 2 H+; log_k -2.8 + H_adH2 + Ni+2 = H_adNi + 2 H+; log_k -2.8 + H_afH2 + Ni+2 = H_afNi + 2 H+; log_k -5.9 + H_ahH2 + Ni+2 = H_ahNi + 2 H+; log_k -5.9 + H_bcH2 + Ni+2 = H_bcNi + 2 H+; log_k -2.8 + H_beH2 + Ni+2 = H_beNi + 2 H+; log_k -5.9 + H_bgH2 + Ni+2 = H_bgNi + 2 H+; log_k -5.9 + H_cdH2 + Ni+2 = H_cdNi + 2 H+; log_k -2.8 + H_cfH2 + Ni+2 = H_cfNi + 2 H+; log_k -5.9 + H_chH2 + Ni+2 = H_chNi + 2 H+; log_k -5.9 + H_deH2 + Ni+2 = H_deNi + 2 H+; log_k -5.9 + H_dgH2 + Ni+2 = H_dgNi + 2 H+; log_k -5.9 # Copper - H_aH + Cu+2 = H_aCu+ + H+; log_k -0.63 - H_bH + Cu+2 = H_bCu+ + H+; log_k -0.63 - H_cH + Cu+2 = H_cCu+ + H+; log_k -0.63 - H_dH + Cu+2 = H_dCu+ + H+; log_k -0.63 - - H_eH + Cu+2 = H_eCu+ + H+; log_k -3.75 - H_fH + Cu+2 = H_fCu+ + H+; log_k -3.75 - H_gH + Cu+2 = H_gCu+ + H+; log_k -3.75 - H_hH + Cu+2 = H_hCu+ + H+; log_k -3.75 - - H_abH2 + Cu+2 = H_abCu + 2H+; log_k -1.26 - H_adH2 + Cu+2 = H_adCu + 2H+; log_k -1.26 - H_afH2 + Cu+2 = H_afCu + 2H+; log_k -4.38 - H_ahH2 + Cu+2 = H_ahCu + 2H+; log_k -4.38 - H_bcH2 + Cu+2 = H_bcCu + 2H+; log_k -1.26 - H_beH2 + Cu+2 = H_beCu + 2H+; log_k -4.38 - H_bgH2 + Cu+2 = H_bgCu + 2H+; log_k -4.38 - H_cdH2 + Cu+2 = H_cdCu + 2H+; log_k -1.26 - H_cfH2 + Cu+2 = H_cfCu + 2H+; log_k -4.38 - H_chH2 + Cu+2 = H_chCu + 2H+; log_k -4.38 - H_deH2 + Cu+2 = H_deCu + 2H+; log_k -4.38 - H_dgH2 + Cu+2 = H_dgCu + 2H+; log_k -4.38 + H_aH + Cu+2 = H_aCu+ + H+; log_k -0.63 + H_bH + Cu+2 = H_bCu+ + H+; log_k -0.63 + H_cH + Cu+2 = H_cCu+ + H+; log_k -0.63 + H_dH + Cu+2 = H_dCu+ + H+; log_k -0.63 + + H_eH + Cu+2 = H_eCu+ + H+; log_k -3.75 + H_fH + Cu+2 = H_fCu+ + H+; log_k -3.75 + H_gH + Cu+2 = H_gCu+ + H+; log_k -3.75 + H_hH + Cu+2 = H_hCu+ + H+; log_k -3.75 + + H_abH2 + Cu+2 = H_abCu + 2 H+; log_k -1.26 + H_adH2 + Cu+2 = H_adCu + 2 H+; log_k -1.26 + H_afH2 + Cu+2 = H_afCu + 2 H+; log_k -4.38 + H_ahH2 + Cu+2 = H_ahCu + 2 H+; log_k -4.38 + H_bcH2 + Cu+2 = H_bcCu + 2 H+; log_k -1.26 + H_beH2 + Cu+2 = H_beCu + 2 H+; log_k -4.38 + H_bgH2 + Cu+2 = H_bgCu + 2 H+; log_k -4.38 + H_cdH2 + Cu+2 = H_cdCu + 2 H+; log_k -1.26 + H_cfH2 + Cu+2 = H_cfCu + 2 H+; log_k -4.38 + H_chH2 + Cu+2 = H_chCu + 2 H+; log_k -4.38 + H_deH2 + Cu+2 = H_deCu + 2 H+; log_k -4.38 + H_dgH2 + Cu+2 = H_dgCu + 2 H+; log_k -4.38 # Zinc - H_aH + Zn+2 = H_aZn+ + H+; log_k -1.7 - H_bH + Zn+2 = H_bZn+ + H+; log_k -1.7 - H_cH + Zn+2 = H_cZn+ + H+; log_k -1.7 - H_dH + Zn+2 = H_dZn+ + H+; log_k -1.7 - - H_eH + Zn+2 = H_eZn+ + H+; log_k -4.9 - H_fH + Zn+2 = H_fZn+ + H+; log_k -4.9 - H_gH + Zn+2 = H_gZn+ + H+; log_k -4.9 - H_hH + Zn+2 = H_hZn+ + H+; log_k -4.9 - - H_abH2 + Zn+2 = H_abZn + 2H+; log_k -2.4 - H_adH2 + Zn+2 = H_adZn + 2H+; log_k -2.4 - H_afH2 + Zn+2 = H_afZn + 2H+; log_k -6.6 - H_ahH2 + Zn+2 = H_ahZn + 2H+; log_k -6.6 - H_bcH2 + Zn+2 = H_bcZn + 2H+; log_k -2.4 - H_beH2 + Zn+2 = H_beZn + 2H+; log_k -6.6 - H_bgH2 + Zn+2 = H_bgZn + 2H+; log_k -6.6 - H_cdH2 + Zn+2 = H_cdZn + 2H+; log_k -2.4 - H_cfH2 + Zn+2 = H_cfZn + 2H+; log_k -6.6 - H_chH2 + Zn+2 = H_chZn + 2H+; log_k -6.6 - H_deH2 + Zn+2 = H_deZn + 2H+; log_k -6.6 - H_dgH2 + Zn+2 = H_dgZn + 2H+; log_k -6.6 + H_aH + Zn+2 = H_aZn+ + H+; log_k -1.7 + H_bH + Zn+2 = H_bZn+ + H+; log_k -1.7 + H_cH + Zn+2 = H_cZn+ + H+; log_k -1.7 + H_dH + Zn+2 = H_dZn+ + H+; log_k -1.7 + + H_eH + Zn+2 = H_eZn+ + H+; log_k -4.9 + H_fH + Zn+2 = H_fZn+ + H+; log_k -4.9 + H_gH + Zn+2 = H_gZn+ + H+; log_k -4.9 + H_hH + Zn+2 = H_hZn+ + H+; log_k -4.9 + + H_abH2 + Zn+2 = H_abZn + 2 H+; log_k -2.4 + H_adH2 + Zn+2 = H_adZn + 2 H+; log_k -2.4 + H_afH2 + Zn+2 = H_afZn + 2 H+; log_k -6.6 + H_ahH2 + Zn+2 = H_ahZn + 2 H+; log_k -6.6 + H_bcH2 + Zn+2 = H_bcZn + 2 H+; log_k -2.4 + H_beH2 + Zn+2 = H_beZn + 2 H+; log_k -6.6 + H_bgH2 + Zn+2 = H_bgZn + 2 H+; log_k -6.6 + H_cdH2 + Zn+2 = H_cdZn + 2 H+; log_k -2.4 + H_cfH2 + Zn+2 = H_cfZn + 2 H+; log_k -6.6 + H_chH2 + Zn+2 = H_chZn + 2 H+; log_k -6.6 + H_deH2 + Zn+2 = H_deZn + 2 H+; log_k -6.6 + H_dgH2 + Zn+2 = H_dgZn + 2 H+; log_k -6.6 # Cadmium - H_aH + Cd+2 = H_aCd+ + H+; log_k -1.52 - H_bH + Cd+2 = H_bCd+ + H+; log_k -1.52 - H_cH + Cd+2 = H_cCd+ + H+; log_k -1.52 - H_dH + Cd+2 = H_dCd+ + H+; log_k -1.52 - - H_eH + Cd+2 = H_eCd+ + H+; log_k -5.57 - H_fH + Cd+2 = H_fCd+ + H+; log_k -5.57 - H_gH + Cd+2 = H_gCd+ + H+; log_k -5.57 - H_hH + Cd+2 = H_hCd+ + H+; log_k -5.57 - - H_abH2 + Cd+2 = H_abCd + 2H+; log_k -3.04 - H_adH2 + Cd+2 = H_adCd + 2H+; log_k -3.04 - H_afH2 + Cd+2 = H_afCd + 2H+; log_k -7.09 - H_ahH2 + Cd+2 = H_ahCd + 2H+; log_k -7.09 - H_bcH2 + Cd+2 = H_bcCd + 2H+; log_k -3.04 - H_beH2 + Cd+2 = H_beCd + 2H+; log_k -7.09 - H_bgH2 + Cd+2 = H_bgCd + 2H+; log_k -7.09 - H_cdH2 + Cd+2 = H_cdCd + 2H+; log_k -3.04 - H_cfH2 + Cd+2 = H_cfCd + 2H+; log_k -7.09 - H_chH2 + Cd+2 = H_chCd + 2H+; log_k -7.09 - H_deH2 + Cd+2 = H_deCd + 2H+; log_k -7.09 - H_dgH2 + Cd+2 = H_dgCd + 2H+; log_k -7.09 + H_aH + Cd+2 = H_aCd+ + H+; log_k -1.52 + H_bH + Cd+2 = H_bCd+ + H+; log_k -1.52 + H_cH + Cd+2 = H_cCd+ + H+; log_k -1.52 + H_dH + Cd+2 = H_dCd+ + H+; log_k -1.52 + + H_eH + Cd+2 = H_eCd+ + H+; log_k -5.57 + H_fH + Cd+2 = H_fCd+ + H+; log_k -5.57 + H_gH + Cd+2 = H_gCd+ + H+; log_k -5.57 + H_hH + Cd+2 = H_hCd+ + H+; log_k -5.57 + + H_abH2 + Cd+2 = H_abCd + 2 H+; log_k -3.04 + H_adH2 + Cd+2 = H_adCd + 2 H+; log_k -3.04 + H_afH2 + Cd+2 = H_afCd + 2 H+; log_k -7.09 + H_ahH2 + Cd+2 = H_ahCd + 2 H+; log_k -7.09 + H_bcH2 + Cd+2 = H_bcCd + 2 H+; log_k -3.04 + H_beH2 + Cd+2 = H_beCd + 2 H+; log_k -7.09 + H_bgH2 + Cd+2 = H_bgCd + 2 H+; log_k -7.09 + H_cdH2 + Cd+2 = H_cdCd + 2 H+; log_k -3.04 + H_cfH2 + Cd+2 = H_cfCd + 2 H+; log_k -7.09 + H_chH2 + Cd+2 = H_chCd + 2 H+; log_k -7.09 + H_deH2 + Cd+2 = H_deCd + 2 H+; log_k -7.09 + H_dgH2 + Cd+2 = H_dgCd + 2 H+; log_k -7.09 # Plumbum (Lead) - H_aH + Pb+2 = H_aPb+ + H+; log_k -0.81 - H_bH + Pb+2 = H_bPb+ + H+; log_k -0.81 - H_cH + Pb+2 = H_cPb+ + H+; log_k -0.81 - H_dH + Pb+2 = H_dPb+ + H+; log_k -0.81 - - H_eH + Pb+2 = H_ePb+ + H+; log_k -3.04 - H_fH + Pb+2 = H_fPb+ + H+; log_k -3.04 - H_gH + Pb+2 = H_gPb+ + H+; log_k -3.04 - H_hH + Pb+2 = H_hPb+ + H+; log_k -3.04 - - H_abH2 + Pb+2 = H_abPb + 2H+; log_k -1.62 - H_adH2 + Pb+2 = H_adPb + 2H+; log_k -1.62 - H_afH2 + Pb+2 = H_afPb + 2H+; log_k -3.85 - H_ahH2 + Pb+2 = H_ahPb + 2H+; log_k -3.85 - H_bcH2 + Pb+2 = H_bcPb + 2H+; log_k -1.62 - H_beH2 + Pb+2 = H_bePb + 2H+; log_k -3.85 - H_bgH2 + Pb+2 = H_bgPb + 2H+; log_k -3.85 - H_cdH2 + Pb+2 = H_cdPb + 2H+; log_k -1.62 - H_cfH2 + Pb+2 = H_cfPb + 2H+; log_k -3.85 - H_chH2 + Pb+2 = H_chPb + 2H+; log_k -3.85 - H_deH2 + Pb+2 = H_dePb + 2H+; log_k -3.85 - H_dgH2 + Pb+2 = H_dgPb + 2H+; log_k -3.85 - + H_aH + Pb+2 = H_aPb+ + H+; log_k -0.81 + H_bH + Pb+2 = H_bPb+ + H+; log_k -0.81 + H_cH + Pb+2 = H_cPb+ + H+; log_k -0.81 + H_dH + Pb+2 = H_dPb+ + H+; log_k -0.81 + + H_eH + Pb+2 = H_ePb+ + H+; log_k -3.04 + H_fH + Pb+2 = H_fPb+ + H+; log_k -3.04 + H_gH + Pb+2 = H_gPb+ + H+; log_k -3.04 + H_hH + Pb+2 = H_hPb+ + H+; log_k -3.04 + + H_abH2 + Pb+2 = H_abPb + 2 H+; log_k -1.62 + H_adH2 + Pb+2 = H_adPb + 2 H+; log_k -1.62 + H_afH2 + Pb+2 = H_afPb + 2 H+; log_k -3.85 + H_ahH2 + Pb+2 = H_ahPb + 2 H+; log_k -3.85 + H_bcH2 + Pb+2 = H_bcPb + 2 H+; log_k -1.62 + H_beH2 + Pb+2 = H_bePb + 2 H+; log_k -3.85 + H_bgH2 + Pb+2 = H_bgPb + 2 H+; log_k -3.85 + H_cdH2 + Pb+2 = H_cdPb + 2 H+; log_k -1.62 + H_cfH2 + Pb+2 = H_cfPb + 2 H+; log_k -3.85 + H_chH2 + Pb+2 = H_chPb + 2 H+; log_k -3.85 + H_deH2 + Pb+2 = H_dePb + 2 H+; log_k -3.85 + H_dgH2 + Pb+2 = H_dgPb + 2 H+; log_k -3.85 + END diff --git a/database/iso.dat b/database/iso.dat index 8558cd698..c922df333 100644 --- a/database/iso.dat +++ b/database/iso.dat @@ -1,737 +1,741 @@ +# File 1 = C:\GitPrograms\phreeqc3-1\database\iso.dat, 15/03/2024 15:26, 7231 lines, 260799 bytes, md5=319d28e882b25a6f83f095da65c50849 +# Created 17 May 2024 14:30:37 +# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "iso.dat" + SOLUTION_MASTER_SPECIES -E e- 0 0 0.0 -H H3O+ -1 H 1.008 -H(0) H2 0 H -H(1) H3O+ -1 H -O H2O 0 O 16.00 -O(0) O2 0 O -O(-2) H2O 0 O -Ca Ca+2 0 Ca 40.08 -Mg Mg+2 0 Mg 24.312 -Na Na+ 0 Na 22.9898 -K K+ 0 K 39.102 -Fe Fe+2 0.0 Fe 55.847 -Fe(+2) Fe+2 0.0 Fe -Fe(+3) Fe+3 -2.0 Fe -Al Al+3 0.0 Al 26.9815 -Si H4SiO4 0.0 SiO2 28.0843 -Cl Cl- 0 Cl 35.453 -C CO2 0 HCO3 12.0111 -C(4) CO2 0 HCO3 -C(-4) CH4 0 CH4 -S SO4-2 0 S 31.972 -S(6) SO4-2 0 SO4 -S(-2) HS- 1 S -N NO3- 0 N 14.0067 -N(+5) NO3- 0 N -N(+3) NO2- 0 N -N(0) N2 0 N -N(-3) NH4+ 0 N -P PO4-3 2.0 P 30.9738 -F F- 0.0 F 18.9984 -Br Br- 0.0 Br 79.904 -Alkalinity CO2 0.0 50.05 50.05 +E e- 1 0 0 +H H3O+ -1 H 1.008 +H(0) H2 0 H +H(1) H3O+ -1 H +O H2O 0 O 16 +O(0) O2 0 O +O(-2) H2O 0 O +Ca Ca+2 0 Ca 40.08 +Mg Mg+2 0 Mg 24.312 +Na Na+ 0 Na 22.9898 +K K+ 0 K 39.102 +Fe Fe+2 0 Fe 55.847 +Fe(+2) Fe+2 0 Fe +Fe(+3) Fe+3 -2 Fe +Al Al+3 0 Al 26.9815 +Si H4SiO4 0 SiO2 28.0843 +Cl Cl- 0 Cl 35.453 +C CO2 0 HCO3 12.0111 +C(4) CO2 0 HCO3 +C(-4) CH4 0 CH4 +S SO4-2 0 S 31.972 +S(6) SO4-2 0 SO4 +S(-2) HS- 1 S +N NO3- 0 N 14.0067 +N(+5) NO3- 0 N +N(+3) NO2- 0 N +N(0) N2 0 N +N(-3) NH4+ 0 N +P PO4-3 2 P 30.9738 +F F- 0 F 18.9984 +Br Br- 0 Br 79.904 +Alkalinity CO2 0 50.05 50.05 SOLUTION_SPECIES H3O+ = H3O+ - log_k 0.000 - -gamma 9.0000 0.0000 + log_k 0 + -gamma 9 0 e- = e- - log_k 0.000 + log_k 0 H2O = H2O - log_k 0.000 + log_k 0 Ca+2 = Ca+2 - log_k 0.000 - -gamma 5.0000 0.1650 + log_k 0 + -gamma 5 0.165 Mg+2 = Mg+2 - log_k 0.000 - -gamma 5.5000 0.2000 + log_k 0 + -gamma 5.5 0.2 Na+ = Na+ - log_k 0.000 - -gamma 4.0000 0.0750 + log_k 0 + -gamma 4 0.075 K+ = K+ - log_k 0.000 - -gamma 3.5000 0.0150 + log_k 0 + -gamma 3.5 0.015 Fe+2 = Fe+2 - log_k 0.000 - -gamma 6.0000 0.0000 + log_k 0 + -gamma 6 0 Al+3 = Al+3 - log_k 0.000 - -gamma 9.0000 0.0000 + log_k 0 + -gamma 9 0 H4SiO4 = H4SiO4 - log_k 0.000 + log_k 0 Cl- = Cl- - log_k 0.000 - -gamma 3.5000 0.0150 + log_k 0 + -gamma 3.5 0.015 SO4-2 = SO4-2 - log_k 0.000 - -gamma 5.0000 -0.0400 + log_k 0 + -gamma 5 -0.04 NO3- = NO3- - log_k 0.000 - -gamma 3.0000 0.0000 + log_k 0 + -gamma 3 0 PO4-3 = PO4-3 - log_k 0.000 - -gamma 4.0000 0.0000 + log_k 0 + -gamma 4 0 F- = F- - log_k 0.000 - -gamma 3.5000 0.0000 + log_k 0 + -gamma 3.5 0 Br- = Br- - log_k 0.000 - -gamma 3.0000 0.0000 + log_k 0 + -gamma 3 0 -2H2O = OH- + H3O+ - log_k -14.000 - delta_h 13.362 kcal - -analytic -283.971 -0.05069842 13323.0 102.24447 -1119669.0 - -gamma 3.5000 0.0000 +2 H2O = OH- + H3O+ + log_k -14 + delta_h 13.362 kcal + -analytic -283.971 -0.05069842 13323 102.24447 -1119669 + -gamma 3.5 0 6 H2O = O2 + 4 H3O+ + 4 e- - log_k -86.08 - delta_h 134.79 kcal + log_k -86.08 + delta_h 134.79 kcal -2 H3O+ + 2 e- = H2 + 2H2O - log_k -3.15 - delta_h -1.759 kcal +2 H3O+ + 2 e- = H2 + 2 H2O + log_k -3.15 + delta_h -1.759 kcal -CO2 + 2H2O = HCO3- + H3O+ - log_k -6.352 - delta_h 2.177 kcal - -analytic -356.3094 -0.06092 21834.37 126.8339 -1684915 +CO2 + 2 H2O = HCO3- + H3O+ + log_k -6.352 + delta_h 2.177 kcal + -analytic -356.3094 -0.06092 21834.37 126.8339 -1684915 -CO2 + 3H2O = CO3-2 + 2H3O+ - log_k -16.681 - delta_h 5.738 kcal - -analytic -464.1965 -0.09344813 26986.16 165.75951 -2248628.9 +CO2 + 3 H2O = CO3-2 + 2 H3O+ + log_k -16.681 + delta_h 5.738 kcal + -analytic -464.1965 -0.09344813 26986.16 165.75951 -2248628.9 CO3-2 + 10 H3O+ + 8 e- = CH4 + 13 H2O - log_k 41.071 - delta_h -61.039 kcal + log_k 41.071 + delta_h -61.039 kcal SO4-2 + H3O+ = HSO4- + H2O - log_k 1.988 - delta_h 3.85 kcal - -analytic -56.889 0.006473 2307.9 19.8858 0.0 + log_k 1.988 + delta_h 3.85 kcal + -analytic -56.889 0.006473 2307.9 19.8858 0 SO4-2 + 9 H3O+ + 8 e- = HS- + 13 H2O - log_k 33.65 - delta_h -60.140 kcal - -gamma 3.5000 0.0000 + log_k 33.65 + delta_h -60.14 kcal + -gamma 3.5 0 HS- + H2O = S-2 + H3O+ - log_k -12.918 - delta_h 12.1 kcal - -gamma 5.0000 0.0000 + log_k -12.918 + delta_h 12.1 kcal + -gamma 5 0 HS- + H3O+ = H2S + H2O - log_k 6.994 - delta_h -5.300 kcal - -analytic -11.17 0.02386 3279.0 + log_k 6.994 + delta_h -5.3 kcal + -analytic -11.17 0.02386 3279 -NO3- + 2 H3O+ + 2 e- = NO2- + 3H2O - log_k 28.570 - delta_h -43.760 kcal - -gamma 3.0000 0.0000 +NO3- + 2 H3O+ + 2 e- = NO2- + 3 H2O + log_k 28.57 + delta_h -43.76 kcal + -gamma 3 0 -2 NO3- + 12 H3O+ + 10e- = N2 + 18 H2O - log_k 207.080 - delta_h -312.130 kcal +2 NO3- + 12 H3O+ + 10 e- = N2 + 18 H2O + log_k 207.08 + delta_h -312.13 kcal NH4+ + H2O = NH3 + H3O+ - log_k -9.252 - delta_h 12.48 kcal - -analytic 0.6322 -0.001225 -2835.76 + log_k -9.252 + delta_h 12.48 kcal + -analytic 0.6322 -0.001225 -2835.76 NO3- + 10 H3O+ + 8 e- = NH4+ + 13 H2O - log_k 119.077 - delta_h -187.055 kcal - -gamma 2.5000 0.0000 + log_k 119.077 + delta_h -187.055 kcal + -gamma 2.5 0 NH4+ + SO4-2 = NH4SO4- - log_k 1.11 + log_k 1.11 PO4-3 + H3O+ = HPO4-2 + H2O - log_k 12.346 - delta_h -3.530 kcal - -gamma 4.0000 0.0000 + log_k 12.346 + delta_h -3.53 kcal + -gamma 4 0 -PO4-3 + 2 H3O+ = H2PO4- + 2H2O - log_k 19.553 - delta_h -4.520 kcal - -gamma 4.5000 0.0000 +PO4-3 + 2 H3O+ = H2PO4- + 2 H2O + log_k 19.553 + delta_h -4.52 kcal + -gamma 4.5 0 H3O+ + F- = HF + H2O - log_k 3.18 - delta_h 3.18 kcal - -analytic -2.033 0.012645 429.01 + log_k 3.18 + delta_h 3.18 kcal + -analytic -2.033 0.012645 429.01 H3O+ + 2 F- = HF2- + H2O - log_k 3.760 - delta_h 4.550 kcal + log_k 3.76 + delta_h 4.55 kcal Ca+2 + OH- = CaOH+ - log_k -12.780 + log_k -12.78 Ca+2 + CO3-2 = CaCO3 - log_k 3.224 - delta_h 3.545 kcal - -analytic -1228.732 -0.299440 35512.75 485.818 + log_k 3.224 + delta_h 3.545 kcal + -analytic -1228.732 -0.29944 35512.75 485.818 #Ca+2 + HCO3- = CaHCO3+ Ca+2 + CO3-2 + H3O+ = CaHCO3+ + H2O - log_k 11.435 - delta_h -0.871 kcal - -analytic 1317.0071 0.34546894 -39916.84 -517.70761 563713.9 - -gamma 5.4000 0.0000 + log_k 11.435 + delta_h -0.871 kcal + -analytic 1317.0071 0.34546894 -39916.84 -517.70761 563713.9 + -gamma 5.4 0 Ca+2 + SO4-2 = CaSO4 - log_k 2.300 - delta_h 1.650 kcal + log_k 2.3 + delta_h 1.65 kcal Ca+2 + HSO4- = CaHSO4+ - log_k 1.08 + log_k 1.08 Ca+2 + PO4-3 = CaPO4- - log_k 6.459 - delta_h 3.100 kcal + log_k 6.459 + delta_h 3.1 kcal Ca+2 + HPO4-2 = CaHPO4 - log_k 2.739 - delta_h 3.3 kcal + log_k 2.739 + delta_h 3.3 kcal Ca+2 + H2PO4- = CaH2PO4+ - log_k 1.408 - delta_h 3.4 kcal + log_k 1.408 + delta_h 3.4 kcal Ca+2 + F- = CaF+ - log_k 0.940 - delta_h 4.120 kcal + log_k 0.94 + delta_h 4.12 kcal Mg+2 + OH- = MgOH+ - log_k -11.440 - delta_h 15.952 kcal + log_k -11.44 + delta_h 15.952 kcal Mg+2 + CO3-2 = MgCO3 - log_k 2.98 - delta_h 2.713 kcal - -analytic 0.9910 0.00667 + log_k 2.98 + delta_h 2.713 kcal + -analytic 0.991 0.00667 Mg+2 + H3O+ + CO3-2 = MgHCO3+ + H2O - log_k 11.399 - delta_h -2.771 kcal - -analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9 + log_k 11.399 + delta_h -2.771 kcal + -analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9 Mg+2 + SO4-2 = MgSO4 - log_k 2.370 - delta_h 4.550 kcal + log_k 2.37 + delta_h 4.55 kcal Mg+2 + PO4-3 = MgPO4- - log_k 6.589 - delta_h 3.100 kcal + log_k 6.589 + delta_h 3.1 kcal Mg+2 + HPO4-2 = MgHPO4 - log_k 2.87 + log_k 2.87 delta_h 3.3 kcal Mg+2 + H2PO4- = MgH2PO4+ - log_k 1.513 + log_k 1.513 delta_h 3.4 kcal Mg+2 + F- = MgF+ - log_k 1.820 - delta_h 3.200 kcal + log_k 1.82 + delta_h 3.2 kcal Na+ + OH- = NaOH - log_k -14.180 + log_k -14.18 Na+ + CO3-2 = NaCO3- - log_k 1.270 - delta_h 8.910 kcal + log_k 1.27 + delta_h 8.91 kcal Na+ + HCO3- = NaHCO3 - log_k -0.25 + log_k -0.25 Na+ + SO4-2 = NaSO4- - log_k 0.700 - delta_h 1.120 kcal + log_k 0.7 + delta_h 1.12 kcal Na+ + HPO4-2 = NaHPO4- - log_k 0.29 + log_k 0.29 Na+ + F- = NaF - log_k -0.240 + log_k -0.24 K+ + OH- = KOH - log_k -14.460 + log_k -14.46 K+ + SO4-2 = KSO4- - log_k 0.850 - delta_h 2.250 kcal - -analytic 3.106 0.0 -673.6 + log_k 0.85 + delta_h 2.25 kcal + -analytic 3.106 0 -673.6 K+ + HPO4-2 = KHPO4- - log_k 0.29 + log_k 0.29 -Fe+2 + 2H2O = FeOH+ + H3O+ - log_k -9.500 - delta_h 13.200 kcal +Fe+2 + 2 H2O = FeOH+ + H3O+ + log_k -9.5 + delta_h 13.2 kcal Fe+2 + Cl- = FeCl+ - log_k 0.140 + log_k 0.14 Fe+2 + CO3-2 = FeCO3 - log_k 4.380 + log_k 4.38 Fe+2 + HCO3- = FeHCO3+ - log_k 2.0 + log_k 2 Fe+2 + SO4-2 = FeSO4 - log_k 2.250 - delta_h 3.230 kcal + log_k 2.25 + delta_h 3.23 kcal Fe+2 + HSO4- = FeHSO4+ - log_k 1.08 + log_k 1.08 -Fe+2 + 2HS- = Fe(HS)2 - log_k 8.95 +Fe+2 + 2 HS- = Fe(HS)2 + log_k 8.95 -Fe+2 + 3HS- = Fe(HS)3- - log_k 10.987 +Fe+2 + 3 HS- = Fe(HS)3- + log_k 10.987 Fe+2 + HPO4-2 = FeHPO4 - log_k 3.6 + log_k 3.6 Fe+2 + H2PO4- = FeH2PO4+ - log_k 2.7 + log_k 2.7 Fe+2 + F- = FeF+ - log_k 1.000 + log_k 1 Fe+2 = Fe+3 + e- - log_k -13.020 - delta_h 9.680 kcal - -gamma 9.0000 0.0000 + log_k -13.02 + delta_h 9.68 kcal + -gamma 9 0 -Fe+3 + 2H2O = FeOH+2 + H3O+ - log_k -2.19 - delta_h 10.4 kcal +Fe+3 + 2 H2O = FeOH+2 + H3O+ + log_k -2.19 + delta_h 10.4 kcal -Fe+3 + 4H2O = Fe(OH)2+ + 2 H3O+ - log_k -5.67 - delta_h 17.1 kcal +Fe+3 + 4 H2O = Fe(OH)2+ + 2 H3O+ + log_k -5.67 + delta_h 17.1 kcal Fe+3 + 6 H2O = Fe(OH)3 + 3 H3O+ - log_k -12.56 - delta_h 24.8 kcal + log_k -12.56 + delta_h 24.8 kcal Fe+3 + 8 H2O = Fe(OH)4- + 4 H3O+ - log_k -21.6 - delta_h 31.9 kcal + log_k -21.6 + delta_h 31.9 kcal 2 Fe+3 + 4 H2O = Fe2(OH)2+4 + 2 H3O+ - log_k -2.95 - delta_h 13.5 kcal + log_k -2.95 + delta_h 13.5 kcal 3 Fe+3 + 8 H2O = Fe3(OH)4+5 + 4 H3O+ - log_k -6.3 - delta_h 14.3 kcal + log_k -6.3 + delta_h 14.3 kcal Fe+3 + Cl- = FeCl+2 - log_k 1.48 - delta_h 5.6 kcal + log_k 1.48 + delta_h 5.6 kcal Fe+3 + 2 Cl- = FeCl2+ - log_k 2.13 + log_k 2.13 Fe+3 + 3 Cl- = FeCl3 - log_k 1.13 + log_k 1.13 Fe+3 + SO4-2 = FeSO4+ - log_k 4.04 - delta_h 3.91 kcal + log_k 4.04 + delta_h 3.91 kcal Fe+3 + HSO4- = FeHSO4+2 - log_k 2.48 + log_k 2.48 Fe+3 + 2 SO4-2 = Fe(SO4)2- - log_k 5.38 - delta_h 4.60 kcal + log_k 5.38 + delta_h 4.6 kcal Fe+3 + HPO4-2 = FeHPO4+ - log_k 5.43 - delta_h 5.76 kcal + log_k 5.43 + delta_h 5.76 kcal Fe+3 + H2PO4- = FeH2PO4+2 - log_k 5.43 + log_k 5.43 Fe+3 + F- = FeF+2 - log_k 6.2 - delta_h 2.7 kcal + log_k 6.2 + delta_h 2.7 kcal Fe+3 + 2 F- = FeF2+ - log_k 10.8 - delta_h 4.8 kcal + log_k 10.8 + delta_h 4.8 kcal Fe+3 + 3 F- = FeF3 - log_k 14.0 - delta_h 5.4 kcal + log_k 14 + delta_h 5.4 kcal -Al+3 + 2H2O = AlOH+2 + H3O+ - log_k -5.00 - delta_h 11.49 kcal - -analytic -38.253 0.0 -656.27 14.327 +Al+3 + 2 H2O = AlOH+2 + H3O+ + log_k -5 + delta_h 11.49 kcal + -analytic -38.253 0 -656.27 14.327 Al+3 + 4 H2O = Al(OH)2+ + 2 H3O+ - log_k -10.1 - delta_h 26.90 kcal - -analytic 88.500 0.0 -9391.6 -27.121 + log_k -10.1 + delta_h 26.9 kcal + -analytic 88.5 0 -9391.6 -27.121 Al+3 + 6 H2O = Al(OH)3 + 3 H3O+ - log_k -16.9 - delta_h 39.89 kcal - -analytic 226.374 0.0 -18247.8 -73.597 + log_k -16.9 + delta_h 39.89 kcal + -analytic 226.374 0 -18247.8 -73.597 Al+3 + 8 H2O = Al(OH)4- + 4 H3O+ - log_k -22.7 - delta_h 42.30 kcal - -analytic 51.578 0.0 -11168.9 -14.865 + log_k -22.7 + delta_h 42.3 kcal + -analytic 51.578 0 -11168.9 -14.865 Al+3 + SO4-2 = AlSO4+ - log_k 3.5 + log_k 3.5 delta_h 2.29 kcal -Al+3 + 2SO4-2 = Al(SO4)2- - log_k 5.0 +Al+3 + 2 SO4-2 = Al(SO4)2- + log_k 5 delta_h 3.11 kcal Al+3 + HSO4- = AlHSO4+2 - log_k 0.46 + log_k 0.46 Al+3 + F- = AlF+2 - log_k 7.000 - delta_h 1.060 kcal + log_k 7 + delta_h 1.06 kcal Al+3 + 2 F- = AlF2+ - log_k 12.700 - delta_h 1.980 kcal + log_k 12.7 + delta_h 1.98 kcal Al+3 + 3 F- = AlF3 - log_k 16.800 - delta_h 2.160 kcal + log_k 16.8 + delta_h 2.16 kcal Al+3 + 4 F- = AlF4- - log_k 19.400 - delta_h 2.200 kcal + log_k 19.4 + delta_h 2.2 kcal Al+3 + 5 F- = AlF5-2 - log_k 20.600 - delta_h 1.840 kcal + log_k 20.6 + delta_h 1.84 kcal Al+3 + 6 F- = AlF6-3 - log_k 20.600 - delta_h -1.670 kcal + log_k 20.6 + delta_h -1.67 kcal H4SiO4 + H2O = H3SiO4- + H3O+ - log_k -9.83 - delta_h 6.12 kcal - -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669.0 + log_k -9.83 + delta_h 6.12 kcal + -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669 -H4SiO4 + 2H2O= H2SiO4-2 + 2 H3O+ - log_k -23.0 - delta_h 17.6 kcal - -analytic -294.0184 -0.072650 11204.49 108.18466 -1119669.0 +H4SiO4 + 2 H2O = H2SiO4-2 + 2 H3O+ + log_k -23 + delta_h 17.6 kcal + -analytic -294.0184 -0.07265 11204.49 108.18466 -1119669 H4SiO4 + 4 H3O+ + 6 F- = SiF6-2 + 8 H2O - log_k 30.180 - delta_h -16.260 kcal + log_k 30.18 + delta_h -16.26 kcal PHASES Calcite CaCO3 = CO3-2 + Ca+2 - log_k -8.480 - delta_h -2.297 kcal - -analytic -171.9065 -0.077993 2839.319 71.595 + log_k -8.48 + delta_h -2.297 kcal + -analytic -171.9065 -0.077993 2839.319 71.595 Dolomite CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 - log_k -17.090 + log_k -17.09 delta_h -9.436 kcal Siderite FeCO3 = Fe+2 + CO3-2 - log_k -10.890 - delta_h -2.480 kcal + log_k -10.89 + delta_h -2.48 kcal Gypsum CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O - log_k -4.580 - delta_h -0.109 kcal - -analytic 68.2401 0.0 -3221.51 -25.0627 + log_k -4.58 + delta_h -0.109 kcal + -analytic 68.2401 0 -3221.51 -25.0627 Anhydrite CaSO4 = Ca+2 + SO4-2 - log_k -4.360 - delta_h -1.710 kcal - -analytic 197.52 0.0 -8669.8 -69.835 + log_k -4.36 + delta_h -1.71 kcal + -analytic 197.52 0 -8669.8 -69.835 Hydroxyapatite - Ca5(PO4)3OH + 4 H3O+ = 5H2O + 3 HPO4-2 + 5 Ca+2 - log_k -3.421 + Ca5(PO4)3OH + 4 H3O+ = 5 H2O + 3 HPO4-2 + 5 Ca+2 + log_k -3.421 delta_h -36.155 kcal Fluorite CaF2 = Ca+2 + 2 F- - log_k -10.600 - delta_h 4.690 kcal - -analytic 66.348 0.0 -4298.2 -25.271 + log_k -10.6 + delta_h 4.69 kcal + -analytic 66.348 0 -4298.2 -25.271 SiO2(a) SiO2 + 2 H2O = H4SiO4 - log_k -2.710 - delta_h 3.340 kcal - -analytic -0.26 0.0 -731.0 + log_k -2.71 + delta_h 3.34 kcal + -analytic -0.26 0 -731 Chalcedony SiO2 + 2 H2O = H4SiO4 - log_k -3.550 - delta_h 4.720 kcal - -analytic -0.09 0.0 -1032.0 + log_k -3.55 + delta_h 4.72 kcal + -analytic -0.09 0 -1032 Quartz SiO2 + 2 H2O = H4SiO4 - log_k -3.980 - delta_h 5.990 kcal - -analytic 0.41 0.0 -1309.0 + log_k -3.98 + delta_h 5.99 kcal + -analytic 0.41 0 -1309 Gibbsite Al(OH)3 + 3 H3O+ = Al+3 + 6 H2O - log_k 8.110 - delta_h -22.800 kcal + log_k 8.11 + delta_h -22.8 kcal Al(OH)3(a) Al(OH)3 + 3 H3O+ = Al+3 + 6 H2O - log_k 10.800 - delta_h -26.500 kcal + log_k 10.8 + delta_h -26.5 kcal Kaolinite - Al2Si2O5(OH)4 + 6 H3O+ = 7H2O + 2 H4SiO4 + 2 Al+3 - log_k 7.435 - delta_h -35.300 kcal + Al2Si2O5(OH)4 + 6 H3O+ = 7 H2O + 2 H4SiO4 + 2 Al+3 + log_k 7.435 + delta_h -35.3 kcal Albite NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4 - log_k -18.002 + log_k -18.002 delta_h 25.896 kcal Anorthite CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4 - log_k -19.714 - delta_h 11.580 kcal + log_k -19.714 + delta_h 11.58 kcal K-feldspar KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4 - log_k -20.573 - delta_h 30.820 kcal + log_k -20.573 + delta_h 30.82 kcal K-mica - KAl3Si3O10(OH)2 + 10 H3O+ = K+ + 3 Al+3 + 3 H4SiO4 + 10H2O - log_k 12.703 + KAl3Si3O10(OH)2 + 10 H3O+ = K+ + 3 Al+3 + 3 H4SiO4 + 10 H2O + log_k 12.703 delta_h -59.376 kcal Chlorite(14A) - Mg5Al2Si3O10(OH)8 + 16 H3O+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 22H2O - log_k 68.38 + Mg5Al2Si3O10(OH)8 + 16 H3O+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 22 H2O + log_k 68.38 delta_h -151.494 kcal Ca-Montmorillonite - Ca0.165Al2.33Si3.67O10(OH)2 + 14 H2O = 0.165Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H3O+ - log_k -45.027 - delta_h 58.373 kcal + Ca0.165Al2.33Si3.67O10(OH)2 + 14 H2O = 0.165 Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H3O+ + log_k -45.027 + delta_h 58.373 kcal Talc - Mg3Si4O10(OH)2 + 4 H2O + 6 H3O+ = 3 Mg+2 + 4 H4SiO4 + 6H2O - log_k 21.399 + Mg3Si4O10(OH)2 + 4 H2O + 6 H3O+ = 3 Mg+2 + 4 H4SiO4 + 6 H2O + log_k 21.399 delta_h -46.352 kcal Illite - K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 12.4H2O = 0.6K+ + 0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H3O+ - log_k -40.267 + K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 12.4 H2O = 0.6 K+ + 0.25 Mg+2 + 2.3 Al(OH)4- + 3.5 H4SiO4 + 1.2 H3O+ + log_k -40.267 delta_h 54.684 kcal Chrysotile - Mg3Si2O5(OH)4 + 6 H3O+ = 7H2O + 2 H4SiO4 + 3 Mg+2 - log_k 32.200 - delta_h -46.800 kcal - -analytic 13.248 0.0 10217.1 -6.1894 + Mg3Si2O5(OH)4 + 6 H3O+ = 7 H2O + 2 H4SiO4 + 3 Mg+2 + log_k 32.2 + delta_h -46.8 kcal + -analytic 13.248 0 10217.1 -6.1894 Sepiolite - Mg2Si3O7.5OH:3H2O + 4 H3O+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 + 4H2O - log_k 15.760 - delta_h -10.700 kcal + Mg2Si3O7.5OH:3H2O + 4 H3O+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 + 4 H2O + log_k 15.76 + delta_h -10.7 kcal Sepiolite(d) - Mg2Si3O7.5OH:3H2O + 4 H3O+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 + 4H2O - log_k 18.660 + Mg2Si3O7.5OH:3H2O + 4 H3O+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 + 4 H2O + log_k 18.66 Hematite Fe2O3 + 6 H3O+ = 2 Fe+3 + 9 H2O - log_k -4.008 + log_k -4.008 delta_h -30.845 kcal Goethite FeOOH + 3 H3O+ = Fe+3 + 5 H2O - log_k -1.000 - delta_h -14.48 kcal + log_k -1 + delta_h -14.48 kcal Fe(OH)3(a) Fe(OH)3 + 3 H3O+ = Fe+3 + 6 H2O - log_k 4.891 + log_k 4.891 Pyrite - FeS2 + 2H3O+ + 2e- = Fe+2 + 2HS- + 2H2O - log_k -18.479 - delta_h 11.300 kcal + FeS2 + 2 H3O+ + 2 e- = Fe+2 + 2 HS- + 2 H2O + log_k -18.479 + delta_h 11.3 kcal FeS(ppt) FeS + H3O+ = Fe+2 + HS- + H2O - log_k -3.915 + log_k -3.915 Mackinawite FeS + H3O+ = Fe+2 + HS- + H2O - log_k -4.648 + log_k -4.648 Sulfur - S + 2 H3O+ + 2e- = H2S + 2H2O - log_k 4.882 + S + 2 H3O+ + 2 e- = H2S + 2 H2O + log_k 4.882 delta_h -9.5 kcal Vivianite Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O - log_k -36.000 + log_k -36 Halite - NaCl = Na+ + Cl- - log_k 1.582 + NaCl = Na+ + Cl- + log_k 1.582 delta_h 0.918 kcal CO2(g) CO2(g) = CO2 - log_k -1.468 - delta_h -4.776 kcal - -analytic 108.3865 0.01985076 -6919.53 -40.45154 669365.0 + log_k -1.468 + delta_h -4.776 kcal + -analytic 108.3865 0.01985076 -6919.53 -40.45154 669365 O2(g) O2 = O2 # log_k -2.960 # delta_h -1.844 kcal # log K from llnl.dat Dec 8, 2010 - log_k -2.8983 - -analytic -7.5001e+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005 + log_k -2.8983 + -analytic -7.5001e+0 7.8981e-3 0e+0 0e+0 2.0027e+5 H2(g) H2 = H2 - log_k -3.150 - delta_h -1.759 kcal + log_k -3.15 + delta_h -1.759 kcal H2O(g) H2O = H2O - log_k 1.51 - delta_h -44.03 kJ + log_k 1.51 + delta_h -44.03 kJ N2(g) N2 = N2 - log_k -3.260 - delta_h -1.358 kcal + log_k -3.26 + delta_h -1.358 kcal H2S(g) H2S = H2S - log_k -0.997 - delta_h -4.570 kcal + log_k -0.997 + delta_h -4.57 kcal CH4(g) CH4 = CH4 - log_k -2.860 - delta_h -3.373 kcal + log_k -2.86 + delta_h -3.373 kcal NH3(g) NH3 = NH3 - log_k 1.770 - delta_h -8.170 kcal + log_k 1.77 + delta_h -8.17 kcal Melanterite FeSO4:7H2O = 7 H2O + Fe+2 + SO4-2 - log_k -2.209 - delta_h 4.910 kcal - -analytic 1.447 -0.004153 0.0 0.0 -214949.0 + log_k -2.209 + delta_h 4.91 kcal + -analytic 1.447 -0.004153 0 0 -214949 Alunite - KAl3(SO4)2(OH)6 + 6 H3O+ = K+ + 3 Al+3 + 2 SO4-2 + 12H2O - log_k -1.400 - delta_h -50.250 kcal + KAl3(SO4)2(OH)6 + 6 H3O+ = K+ + 3 Al+3 + 2 SO4-2 + 12 H2O + log_k -1.4 + delta_h -50.25 kcal Jarosite-K KFe3(SO4)2(OH)6 + 6 H3O+ = 3 Fe+3 + 12 H2O + K+ + 2 SO4-2 - log_k -9.210 - delta_h -31.280 kcal + log_k -9.21 + delta_h -31.28 kcal EXCHANGE_MASTER_SPECIES - X X- + X X- EXCHANGE_SPECIES X- = X- - log_k 0.0 + log_k 0 Na+ + X- = NaX - log_k 0.0 - -gamma 4.0 0.075 + log_k 0 + -gamma 4 0.075 K+ + X- = KX - log_k 0.7 - -gamma 3.5 0.015 - delta_h -4.3 # Jardine & Sparks, 1984 + log_k 0.7 + -gamma 3.5 0.015 + delta_h -4.3 # Jardine & Sparks, 1984 NH4+ + X- = NH4X - log_k 0.6 - -gamma 2.5 0.0 - delta_h -2.4 # Laudelout et al., 1968 + log_k 0.6 + -gamma 2.5 0 + delta_h -2.4 # Laudelout et al., 1968 - Ca+2 + 2X- = CaX2 - log_k 0.8 - -gamma 5.0 0.165 - delta_h 7.2 # Van Bladel & Gheyl, 1980 + Ca+2 + 2 X- = CaX2 + log_k 0.8 + -gamma 5 0.165 + delta_h 7.2 # Van Bladel & Gheyl, 1980 - Mg+2 + 2X- = MgX2 - log_k 0.6 - -gamma 5.5 0.2 - delta_h 7.4 # Laudelout et al., 1968 + Mg+2 + 2 X- = MgX2 + log_k 0.6 + -gamma 5.5 0.2 + delta_h 7.4 # Laudelout et al., 1968 - Fe+2 + 2X- = FeX2 - log_k 0.44 - -gamma 6.0 0.0 + Fe+2 + 2 X- = FeX2 + log_k 0.44 + -gamma 6 0 - Al+3 + 3X- = AlX3 - log_k 0.41 - -gamma 9.0 0.0 + Al+3 + 3 X- = AlX3 + log_k 0.41 + -gamma 9 0 - AlOH+2 + 2X- = AlOHX2 - log_k 0.89 - -gamma 0.0 0.0 + AlOH+2 + 2 X- = AlOHX2 + log_k 0.89 + -gamma 0 0 SURFACE_MASTER_SPECIES - Hfo_s Hfo_sOH - Hfo_w Hfo_wOH + Hfo_s Hfo_sOH + Hfo_w Hfo_wOH SURFACE_SPECIES # All surface data from @@ -743,24 +747,24 @@ SURFACE_SPECIES # strong binding site--Hfo_s, Hfo_sOH = Hfo_sOH - log_k 0.0 + log_k 0 - Hfo_sOH + H3O+ = Hfo_sOH2+ + H2O - log_k 7.29 # = pKa1,int + Hfo_sOH + H3O+ = Hfo_sOH2+ + H2O + log_k 7.29 # = pKa1,int Hfo_sOH + H2O = Hfo_sO- + H3O+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int # weak binding site--Hfo_w Hfo_wOH = Hfo_wOH - log_k 0.0 + log_k 0 - Hfo_wOH + H3O+ = Hfo_wOH2+ + H2O - log_k 7.29 # = pKa1,int + Hfo_wOH + H3O+ = Hfo_wOH2+ + H2O + log_k 7.29 # = pKa1,int Hfo_wOH + H2O = Hfo_wO- + H3O+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int ############################################### # CATIONS # @@ -770,7 +774,7 @@ SURFACE_SPECIES # # Calcium Hfo_sOH + Ca+2 = Hfo_sOHCa+2 - log_k 4.97 + log_k 4.97 Hfo_wOH + Ca+2 + H2O = Hfo_wOCa+ + H3O+ log_k -5.85 @@ -789,12 +793,12 @@ SURFACE_SPECIES # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm. Hfo_sOH + Fe+2 + H2O = Hfo_sOFe+ + H3O+ - log_k -0.95 + log_k -0.95 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M Hfo_wOH + Fe+2 + H2O = Hfo_wOFe+ + H3O+ log_k -2.98 - Hfo_wOH + Fe+2 + 3H2O = Hfo_wOFeOH + 2H3O+ + Hfo_wOH + Fe+2 + 3 H2O = Hfo_wOFeOH + 2 H3O+ log_k -11.55 ############################################### @@ -804,38 +808,38 @@ SURFACE_SPECIES # Anions from table 10.6 # # Phosphate - Hfo_wOH + PO4-3 + 3 H3O+ = Hfo_wH2PO4 + 4H2O - log_k 31.29 + Hfo_wOH + PO4-3 + 3 H3O+ = Hfo_wH2PO4 + 4 H2O + log_k 31.29 - Hfo_wOH + PO4-3 + 2 H3O+ = Hfo_wHPO4- + 3H2O - log_k 25.39 + Hfo_wOH + PO4-3 + 2 H3O+ = Hfo_wHPO4- + 3 H2O + log_k 25.39 - Hfo_wOH + PO4-3 + H3O+ = Hfo_wPO4-2 + 2H2O - log_k 17.72 + Hfo_wOH + PO4-3 + H3O+ = Hfo_wPO4-2 + 2 H2O + log_k 17.72 # # Anions from table 10.7 # # Sulfate - Hfo_wOH + SO4-2 + H3O+ = Hfo_wSO4- + 2H2O - log_k 7.78 + Hfo_wOH + SO4-2 + H3O+ = Hfo_wSO4- + 2 H2O + log_k 7.78 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 - log_k 0.79 + log_k 0.79 # # Derived constants table 10.10 # - Hfo_wOH + F- + H3O+ = Hfo_wF + 2H2O - log_k 8.7 + Hfo_wOH + F- + H3O+ = Hfo_wF + 2 H2O + log_k 8.7 Hfo_wOH + F- = Hfo_wOHF- - log_k 1.6 + log_k 1.6 # # Carbonate: Van Geen et al., 1994 reoptimized for HFO # 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L # # Hfo_wOH + CO3-2 + H3O+ = Hfo_wCO3- + 2H2O # log_k 12.56 -# +# # Hfo_wOH + CO3-2 + 2 H3O+= Hfo_wHCO3 + 3 H2O # log_k 20.62 @@ -850,641 +854,641 @@ SURFACE_SPECIES ############################################################################################### SOLUTION_MASTER_SPECIES ############################################################################################### -D D2O 0 D 2 -D(1) D2O 0 D -D(0) HD 0 D -T HTO 0 T 3 -T(1) HTO 0 T -T(0) HT 0 T -[18O] H2[18O] 0 [18O] 18 -[18O](-2) H2[18O] 0 [18O] 18 -[18O](0) O[18O] 0 [18O] 18 -[13C] [13C]O2 0 [13C] 13 -[13C](4) [13C]O2 0 [13C] -[13C](-4) [13C]H4 0 [13C] -[14C] [14C]O2 0 [14C] 14 -[14C](4) [14C]O2 0 [14C] -[14C](-4) [14C]H4 0 [14C] -[34S] [34S]O4-2 0 [34S] 33.967 -[34S](6) [34S]O4-2 0 [34S] -[34S](-2) H[34S]- 0 [34S] -[15N] [15N]O3- 0 [15N] 15.00010897312 -[15N](5) [15N]O3- 0 [15N] -[15N](3) [15N]O2- 0 [15N] -[15N](0) N[15N] 0 [15N] -[15N](-3) [15N]H4+ 0 [15N] +D D2O 0 D 2 +D(1) D2O 0 D +D(0) HD 0 D +T HTO 0 T 3 +T(1) HTO 0 T +T(0) HT 0 T +[18O] H2[18O] 0 [18O] 18 +[18O](-2) H2[18O] 0 [18O] 18 +[18O](0) O[18O] 0 [18O] 18 +[13C] [13C]O2 0 [13C] 13 +[13C](4) [13C]O2 0 [13C] +[13C](-4) [13C]H4 0 [13C] +[14C] [14C]O2 0 [14C] 14 +[14C](4) [14C]O2 0 [14C] +[14C](-4) [14C]H4 0 [14C] +[34S] [34S]O4-2 0 [34S] 33.967 +[34S](6) [34S]O4-2 0 [34S] +[34S](-2) H[34S]- 0 [34S] +[15N] [15N]O3- 0 [15N] 15.00010897312 +[15N](5) [15N]O3- 0 [15N] +[15N](3) [15N]O2- 0 [15N] +[15N](0) N[15N] 0 [15N] +[15N](-3) [15N]H4+ 0 [15N] ############################################################################################### ISOTOPES ############################################################################################### H - -isotope D permil 155.76e-6 # VSMOW (Clark and Fritz, 1997) - -isotope T TU 1e-18 # Solomon and Cook, in eds, Cook and Herczeg, 2000 + -isotope D permil 155.76e-6 # VSMOW (Clark and Fritz, 1997) + -isotope T TU 1e-18 # Solomon and Cook, in eds, Cook and Herczeg, 2000 H(0) - -isotope D(0) permil 155.76e-6 # VSMOW (Clark and Fritz, 1997) - -isotope T(0) TU 1e-18 # Solomon and Cook, in eds, Cook and Herczeg, 2000 + -isotope D(0) permil 155.76e-6 # VSMOW (Clark and Fritz, 1997) + -isotope T(0) TU 1e-18 # Solomon and Cook, in eds, Cook and Herczeg, 2000 # 1 THO in 10^18 H2O # -isotope T pCi/L 3.125e-18 # #1e-18/3.2 = T/mol H2O -C - -isotope [13C] permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite +C + -isotope [13C] permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite # Chang and Li, 1990, Chinese Science Bulletin - -isotope [13C](4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite + -isotope [13C](4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite # Chang and Li, 1990, Chinese Science Bulletin - -isotope [13C](-4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite - -isotope [14C] pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon - -isotope [14C](4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon + -isotope [13C](-4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite + -isotope [14C] pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon + -isotope [14C](4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon # 13.56 Modern Carbon dpm (Kalin, in eds, Cook and Herczeg, 2000) - -isotope [14C](-4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon -C(4) - -isotope [13C](4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite + -isotope [14C](-4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon +C(4) + -isotope [13C](4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite # Chang and Li, 1990, Chinese Science Bulletin - -isotope [14C](4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon + -isotope [14C](4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon # 13.56 Modern Carbon dpm (Kalin, in eds, Cook and Herczeg, 2000) # 13.56 Modern Carbon dpm (Kalin, in eds, Cook and Herczeg, 2000) -C(-4) - -isotope [13C](-4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite - -isotope [14C](-4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon +C(-4) + -isotope [13C](-4) permil 0.0111802 # VPDB, Vienna Pee Dee Belemnite + -isotope [14C](-4) pmc 1.175887709e-12 # Mole fraction of 14C in Modern Carbon # 14C calculation # # lambda = ln(2)/(5730 yrs * 3.15576e7 sec/yr) - # mole/g carbon = -(dn/dt)/lambda = 0.226 dps / 3.8332476e-12 / 6.022136736e23 + # mole/g carbon = -(dn/dt)/lambda = 0.226 dps / 3.8332476e-12 / 6.022136736e23 # mole C/g C NBS Oxalic Acid with 13C = -19.3: 0.08325783313 # mole 14C/mol Modern Carbon mol/g carbon/ (mole C/g C) = 1.175887709e-12 # O - -isotope [18O] permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997) - -isotope [18O](0) permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997) + -isotope [18O] permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997) + -isotope [18O](0) permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997) O(0) - -isotope [18O](0) permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997) + -isotope [18O](0) permil 2005.2e-6 # VSMOW (Clark and Fritz, 1997) S # Coplen and others, 2002 - -isotope [34S] permil 0.04416264 # VCDT, Vienna Canyon Diablo Troilite - -isotope [34S](6) permil 0.04416264 # VCDT - -isotope [34S](-2) permil 0.04416264 # VCDT + -isotope [34S] permil 0.04416264 # VCDT, Vienna Canyon Diablo Troilite + -isotope [34S](6) permil 0.04416264 # VCDT + -isotope [34S](-2) permil 0.04416264 # VCDT S(6) - -isotope [34S](6) permil 0.04416264 # VCDT + -isotope [34S](6) permil 0.04416264 # VCDT S(-2) - -isotope [34S](-2) permil 0.04416264 # VCDT + -isotope [34S](-2) permil 0.04416264 # VCDT N # Coplen and others, 2002 - -isotope [15N] permil 0.003676867 # Air - -isotope [15N](5) permil 0.003676867 # Air - -isotope [15N](3) permil 0.003676867 # Air - -isotope [15N](0) permil 0.003676867 # Air - -isotope [15N](-3) permil 0.003676867 # Air + -isotope [15N] permil 0.003676867 # Air + -isotope [15N](5) permil 0.003676867 # Air + -isotope [15N](3) permil 0.003676867 # Air + -isotope [15N](0) permil 0.003676867 # Air + -isotope [15N](-3) permil 0.003676867 # Air N(5) - -isotope [15N](5) permil 0.003676867 # Air + -isotope [15N](5) permil 0.003676867 # Air N(3) - -isotope [15N](3) permil 0.003676867 # Air + -isotope [15N](3) permil 0.003676867 # Air N(0) - -isotope [15N](0) permil 0.003676867 # Air + -isotope [15N](0) permil 0.003676867 # Air N(-3) - -isotope [15N](-3) permil 0.003676867 # Air + -isotope [15N](-3) permil 0.003676867 # Air ############################################################################################### ISOTOPE_RATIOS ############################################################################################### # # Total aqueous ratios # - R(D) D - R(T) T - R(18O) [18O] - R(13C) [13C] - R(14C) [14C] - R(15N) [15N] - R(34S) [34S] + R(D) D + R(T) T + R(18O) [18O] + R(13C) [13C] + R(14C) [14C] + R(15N) [15N] + R(34S) [34S] # H2O(l) ratios - R(D)_H2O(l) D - R(T)_H2O(l) T - R(18O)_H2O(l) [18O] + R(D)_H2O(l) D + R(T)_H2O(l) T + R(18O)_H2O(l) [18O] # OH- ratios - R(D)_OH- D - R(T)_OH- T - R(18O)_OH- [18O] + R(D)_OH- D + R(T)_OH- T + R(18O)_OH- [18O] # H3O+ ratios - R(D)_H3O+ D - R(T)_H3O+ T - R(18O)_H3O+ [18O] + R(D)_H3O+ D + R(T)_H3O+ T + R(18O)_H3O+ [18O] # O2(aq) ratios - R(18O)_O2(aq) [18O] + R(18O)_O2(aq) [18O] # H2(aq) ratios - R(D)_H2(aq) D - R(T)_H2(aq) T + R(D)_H2(aq) D + R(T)_H2(aq) T # CO2(aq) ratios - R(13C)_CO2(aq) [13C] - R(14C)_CO2(aq) [14C] - R(18O)_CO2(aq) [18O] + R(13C)_CO2(aq) [13C] + R(14C)_CO2(aq) [14C] + R(18O)_CO2(aq) [18O] # HCO3- ratios - R(D)_HCO3- D - R(T)_HCO3- T - R(18O)_HCO3- [18O] - R(13C)_HCO3- [13C] - R(14C)_HCO3- [14C] + R(D)_HCO3- D + R(T)_HCO3- T + R(18O)_HCO3- [18O] + R(13C)_HCO3- [13C] + R(14C)_HCO3- [14C] # CO3-2 ratios - R(18O)_CO3-2 [18O] - R(13C)_CO3-2 [13C] - R(14C)_CO3-2 [14C] + R(18O)_CO3-2 [18O] + R(13C)_CO3-2 [13C] + R(14C)_CO3-2 [14C] # CH4(aq) ratios - R(D)_CH4(aq) D - R(T)_CH4(aq) T - R(13C)_CH4(aq) [13C] - R(14C)_CH4(aq) [14C] + R(D)_CH4(aq) D + R(T)_CH4(aq) T + R(13C)_CH4(aq) [13C] + R(14C)_CH4(aq) [14C] # SO4-2 ratios - R(34S)_SO4-2 [34S] + R(34S)_SO4-2 [34S] # HSO4- ratios - R(D)_HSO4- D - R(T)_HSO4- T - R(34S)_HSO4- [34S] + R(D)_HSO4- D + R(T)_HSO4- T + R(34S)_HSO4- [34S] # S-2 ratios - R(34S)_S-2 [34S] + R(34S)_S-2 [34S] # HS- ratios - R(D)_HS- D - R(T)_HS- T - R(34S)_HS- [34S] + R(D)_HS- D + R(T)_HS- T + R(34S)_HS- [34S] # H2S ratios - R(D)_H2S(aq) D - R(T)_H2S(aq) T - R(34S)_H2S(aq) [34S] + R(D)_H2S(aq) D + R(T)_H2S(aq) T + R(34S)_H2S(aq) [34S] # NO3- ratios - R(15N)_NO3- [15N] + R(15N)_NO3- [15N] # NO2- ratios - R(15N)_NO2- [15N] + R(15N)_NO2- [15N] # N2(aq) ratios - R(15N)_N2(aq) [15N] + R(15N)_N2(aq) [15N] # NH3(aq) ratios - R(D)_NH3(aq) D - R(T)_NH3(aq) T - R(15N)_NH3(aq) [15N] + R(D)_NH3(aq) D + R(T)_NH3(aq) T + R(15N)_NH3(aq) [15N] # NH4+ ratios - R(D)_NH4+ D - R(T)_NH4+ T - R(15N)_NH4+ [15N] + R(D)_NH4+ D + R(T)_NH4+ T + R(15N)_NH4+ [15N] # # Ratios for minerals and gases # # H2O(g) ratios - R(D)_H2O(g) D - R(T)_H2O(g) T - R(18O)_H2O(g) [18O] + R(D)_H2O(g) D + R(T)_H2O(g) T + R(18O)_H2O(g) [18O] # O2(g) ratios - R(18O)_O2(g) [18O] + R(18O)_O2(g) [18O] # H2(g) ratios - R(D)_H2(g) D - R(T)_H2(g) T + R(D)_H2(g) D + R(T)_H2(g) T # CO2(g) ratios - R(18O)_CO2(g) [18O] - R(13C)_CO2(g) [13C] - R(14C)_CO2(g) [14C] + R(18O)_CO2(g) [18O] + R(13C)_CO2(g) [13C] + R(14C)_CO2(g) [14C] # Calcite ratios - R(18O)_Calcite [18O] - R(13C)_Calcite [13C] - R(14C)_Calcite [14C] + R(18O)_Calcite [18O] + R(13C)_Calcite [13C] + R(14C)_Calcite [14C] # Pyrite ratios - R(34S)_Pyrite [34S] + R(34S)_Pyrite [34S] # CH4(g) ratios - R(D)_CH4(g) D - R(T)_CH4(g) T - R(13C)_CH4(g) [13C] - R(14C)_CH4(g) [14C] + R(D)_CH4(g) D + R(T)_CH4(g) T + R(13C)_CH4(g) [13C] + R(14C)_CH4(g) [14C] # H2S(g) ratios - R(D)_H2S(g) D - R(T)_H2S(g) T - R(34S)_H2S(g) [34S] + R(D)_H2S(g) D + R(T)_H2S(g) T + R(34S)_H2S(g) [34S] # Gypsum ratios - R(34S)_Gypsum [34S] + R(34S)_Gypsum [34S] # Anhydrite ratios - R(34S)_Anhydrite [34S] + R(34S)_Anhydrite [34S] # N2(g) ratios - R(15N)_N2(g) [15N] + R(15N)_N2(g) [15N] # NH3(g) ratios - R(D)_NH3(g) D - R(T)_NH3(g) T - R(15N)_NH3(g) [15N] + R(D)_NH3(g) D + R(T)_NH3(g) T + R(15N)_NH3(g) [15N] ISOTOPE_ALPHAS # OH- - Alpha_D_OH-/H2O(l) Log_alpha_D_OH-/H2O(l) - Alpha_T_OH-/H2O(l) Log_alpha_T_OH-/H2O(l) - Alpha_18O_OH-/H2O(l) Log_alpha_18O_OH-/H2O(l) + Alpha_D_OH-/H2O(l) Log_alpha_D_OH-/H2O(l) + Alpha_T_OH-/H2O(l) Log_alpha_T_OH-/H2O(l) + Alpha_18O_OH-/H2O(l) Log_alpha_18O_OH-/H2O(l) # H3O+ - Alpha_D_H3O+/H2O(l) Log_alpha_D_H3O+/H2O(l) - Alpha_T_H3O+/H2O(l) Log_alpha_T_H3O+/H2O(l) - Alpha_18O_H3O+/H2O(l) Log_alpha_18O_H3O+/H2O(l) + Alpha_D_H3O+/H2O(l) Log_alpha_D_H3O+/H2O(l) + Alpha_T_H3O+/H2O(l) Log_alpha_T_H3O+/H2O(l) + Alpha_18O_H3O+/H2O(l) Log_alpha_18O_H3O+/H2O(l) # O2(aq) - Alpha_18O_O2(aq)/H2O(l) Log_alpha_18O_O2(aq)/H2O(l) + Alpha_18O_O2(aq)/H2O(l) Log_alpha_18O_O2(aq)/H2O(l) # H2(aq) - Alpha_D_H2(aq)/H2O(l) Log_alpha_D_H2(aq)/H2O(l) - Alpha_T_H2(aq)/H2O(l) Log_alpha_T_H2(aq)/H2O(l) + Alpha_D_H2(aq)/H2O(l) Log_alpha_D_H2(aq)/H2O(l) + Alpha_T_H2(aq)/H2O(l) Log_alpha_T_H2(aq)/H2O(l) # CO2(aq) - Alpha_18O_CO2(aq)/H2O(l) Log_alpha_18O_CO2(aq)/H2O(l) - Alpha_13C_CO2(aq)/CO2(g) Log_alpha_13C_CO2(aq)/CO2(g) - Alpha_14C_CO2(aq)/CO2(g) Log_alpha_14C_CO2(aq)/CO2(g) + Alpha_18O_CO2(aq)/H2O(l) Log_alpha_18O_CO2(aq)/H2O(l) + Alpha_13C_CO2(aq)/CO2(g) Log_alpha_13C_CO2(aq)/CO2(g) + Alpha_14C_CO2(aq)/CO2(g) Log_alpha_14C_CO2(aq)/CO2(g) # HCO3- - Alpha_D_HCO3-/H2O(l) Log_alpha_D_HCO3-/H2O(l) - Alpha_T_HCO3-/H2O(l) Log_alpha_T_HCO3-/H2O(l) - Alpha_18O_HCO3-/H2O(l) Log_alpha_18O_HCO3-/H2O(l) - Alpha_13C_HCO3-/CO2(aq) Log_alpha_13C_HCO3-/CO2(aq) - Alpha_14C_HCO3-/CO2(aq) Log_alpha_14C_HCO3-/CO2(aq) - Alpha_13C_HCO3-/CO2(g) Log_alpha_13C_HCO3-/CO2(g) - Alpha_14C_HCO3-/CO2(g) Log_alpha_14C_HCO3-/CO2(g) + Alpha_D_HCO3-/H2O(l) Log_alpha_D_HCO3-/H2O(l) + Alpha_T_HCO3-/H2O(l) Log_alpha_T_HCO3-/H2O(l) + Alpha_18O_HCO3-/H2O(l) Log_alpha_18O_HCO3-/H2O(l) + Alpha_13C_HCO3-/CO2(aq) Log_alpha_13C_HCO3-/CO2(aq) + Alpha_14C_HCO3-/CO2(aq) Log_alpha_14C_HCO3-/CO2(aq) + Alpha_13C_HCO3-/CO2(g) Log_alpha_13C_HCO3-/CO2(g) + Alpha_14C_HCO3-/CO2(g) Log_alpha_14C_HCO3-/CO2(g) # CO3-2 - Alpha_18O_CO3-2/H2O(l) Log_alpha_18O_CO3-2/H2O(l) - Alpha_13C_CO3-2/CO2(aq) Log_alpha_13C_CO3-2/CO2(aq) - Alpha_14C_CO3-2/CO2(aq) Log_alpha_14C_CO3-2/CO2(aq) - Alpha_13C_CO3-2/CO2(g) Log_alpha_13C_CO3-2/CO2(g) - Alpha_14C_CO3-2/CO2(g) Log_alpha_14C_CO3-2/CO2(g) + Alpha_18O_CO3-2/H2O(l) Log_alpha_18O_CO3-2/H2O(l) + Alpha_13C_CO3-2/CO2(aq) Log_alpha_13C_CO3-2/CO2(aq) + Alpha_14C_CO3-2/CO2(aq) Log_alpha_14C_CO3-2/CO2(aq) + Alpha_13C_CO3-2/CO2(g) Log_alpha_13C_CO3-2/CO2(g) + Alpha_14C_CO3-2/CO2(g) Log_alpha_14C_CO3-2/CO2(g) # CH4(aq) - Alpha_D_CH4(aq)/H2O(l) Log_alpha_D_CH4(aq)/H2O(l) - Alpha_T_CH4(aq)/H2O(l) Log_alpha_T_CH4(aq)/H2O(l) - Alpha_13C_CH4(aq)/CO2(aq) Log_alpha_13C_CH4(aq)/CO2(aq) - Alpha_14C_CH4(aq)/CO2(aq) Log_alpha_14C_CH4(aq)/CO2(aq) + Alpha_D_CH4(aq)/H2O(l) Log_alpha_D_CH4(aq)/H2O(l) + Alpha_T_CH4(aq)/H2O(l) Log_alpha_T_CH4(aq)/H2O(l) + Alpha_13C_CH4(aq)/CO2(aq) Log_alpha_13C_CH4(aq)/CO2(aq) + Alpha_14C_CH4(aq)/CO2(aq) Log_alpha_14C_CH4(aq)/CO2(aq) # HSO4- - Alpha_D_HSO4-/H2O(l) Log_alpha_D_HSO4-/H2O(l) - Alpha_T_HSO4-/H2O(l) Log_alpha_T_HSO4-/H2O(l) - Alpha_34S_HSO4-/SO4-2 Log_alpha_34S_HSO4-/SO4-2 + Alpha_D_HSO4-/H2O(l) Log_alpha_D_HSO4-/H2O(l) + Alpha_T_HSO4-/H2O(l) Log_alpha_T_HSO4-/H2O(l) + Alpha_34S_HSO4-/SO4-2 Log_alpha_34S_HSO4-/SO4-2 # S-2 - Alpha_34S_S-2/HS- Log_alpha_34S_S-2/HS- + Alpha_34S_S-2/HS- Log_alpha_34S_S-2/HS- # HS- - Alpha_D_HS-/H2O(l) Log_alpha_D_HS-/H2O(l) - Alpha_T_HS-/H2O(l) Log_alpha_T_HS-/H2O(l) - Alpha_34S_HS-/SO4-2 Log_alpha_34S_HS-/SO4-2 + Alpha_D_HS-/H2O(l) Log_alpha_D_HS-/H2O(l) + Alpha_T_HS-/H2O(l) Log_alpha_T_HS-/H2O(l) + Alpha_34S_HS-/SO4-2 Log_alpha_34S_HS-/SO4-2 # H2S - Alpha_D_H2S(aq)/H2O(l) Log_alpha_D_H2S(aq)/H2O(l) - Alpha_T_H2S(aq)/H2O(l) Log_alpha_T_H2S(aq)/H2O(l) - Alpha_34S_H2S(aq)/HS- Log_alpha_34S_H2S(aq)/HS- + Alpha_D_H2S(aq)/H2O(l) Log_alpha_D_H2S(aq)/H2O(l) + Alpha_T_H2S(aq)/H2O(l) Log_alpha_T_H2S(aq)/H2O(l) + Alpha_34S_H2S(aq)/HS- Log_alpha_34S_H2S(aq)/HS- # NO2- - Alpha_15N_NO2-/NO3- Log_alpha_15N_NO2-/NO3- + Alpha_15N_NO2-/NO3- Log_alpha_15N_NO2-/NO3- # N2(aq) - Alpha_15N_N2(aq)/NO3- Log_alpha_15N_N2(aq)/NO3- + Alpha_15N_N2(aq)/NO3- Log_alpha_15N_N2(aq)/NO3- # NH3(aq) - Alpha_D_NH3(aq)/H2O(l) Log_alpha_D_NH3(aq)/H2O(l) - Alpha_T_NH3(aq)/H2O(l) Log_alpha_T_NH3(aq)/H2O(l) - Alpha_15N_NH3(aq)/NO3- Log_alpha_15N_NH3(aq)/NO3- + Alpha_D_NH3(aq)/H2O(l) Log_alpha_D_NH3(aq)/H2O(l) + Alpha_T_NH3(aq)/H2O(l) Log_alpha_T_NH3(aq)/H2O(l) + Alpha_15N_NH3(aq)/NO3- Log_alpha_15N_NH3(aq)/NO3- # NH4+ - Alpha_D_NH4+/H2O(l) Log_alpha_D_NH4+/H2O(l) - Alpha_T_NH4+/H2O(l) Log_alpha_T_NH4+/H2O(l) - Alpha_15N_NH4+/NH3(aq) Log_alpha_15N_NH4+/NH3(aq) + Alpha_D_NH4+/H2O(l) Log_alpha_D_NH4+/H2O(l) + Alpha_T_NH4+/H2O(l) Log_alpha_T_NH4+/H2O(l) + Alpha_15N_NH4+/NH3(aq) Log_alpha_15N_NH4+/NH3(aq) # H2O(g) - Alpha_D_H2O(g)/H2O(l) Log_alpha_D_H2O(g)/H2O(l) - Alpha_T_H2O(g)/H2O(l) Log_alpha_T_H2O(g)/H2O(l) - Alpha_18O_H2O(g)/H2O(l) Log_alpha_18O_H2O(g)/H2O(l) + Alpha_D_H2O(g)/H2O(l) Log_alpha_D_H2O(g)/H2O(l) + Alpha_T_H2O(g)/H2O(l) Log_alpha_T_H2O(g)/H2O(l) + Alpha_18O_H2O(g)/H2O(l) Log_alpha_18O_H2O(g)/H2O(l) # O2(g) - Alpha_18O_O2(g)/H2O(l) Log_alpha_18O_O2(g)/H2O(l) #? + Alpha_18O_O2(g)/H2O(l) Log_alpha_18O_O2(g)/H2O(l) #? # H2(g) - Alpha_D_H2(g)/H2O(l) Log_alpha_D_H2(g)/H2O(l) #? - Alpha_T_H2(g)/H2O(l) Log_alpha_T_H2(g)/H2O(l) #? + Alpha_D_H2(g)/H2O(l) Log_alpha_D_H2(g)/H2O(l) #? + Alpha_T_H2(g)/H2O(l) Log_alpha_T_H2(g)/H2O(l) #? # CO2(g) - Alpha_18O_CO2(g)/H2O(l) Log_alpha_18O_CO2(g)/H2O(l) - Alpha_13C_CO2(g)/CO2(aq) Log_alpha_13C_CO2(g)/CO2(aq) - Alpha_14C_CO2(g)/CO2(aq) Log_alpha_14C_CO2(g)/CO2(aq) + Alpha_18O_CO2(g)/H2O(l) Log_alpha_18O_CO2(g)/H2O(l) + Alpha_13C_CO2(g)/CO2(aq) Log_alpha_13C_CO2(g)/CO2(aq) + Alpha_14C_CO2(g)/CO2(aq) Log_alpha_14C_CO2(g)/CO2(aq) # Calcite - Alpha_18O_Calcite/H2O(l) Log_alpha_18O_Calcite/H2O(l) - Alpha_13C_Calcite/CO2(aq) Log_alpha_13C_Calcite/CO2(aq) - Alpha_13C_Calcite/CO2(g) Log_alpha_13C_Calcite/CO2(g) - Alpha_14C_Calcite/CO2(aq) Log_alpha_14C_Calcite/CO2(aq) - Alpha_14C_Calcite/CO2(g) Log_alpha_14C_Calcite/CO2(g) + Alpha_18O_Calcite/H2O(l) Log_alpha_18O_Calcite/H2O(l) + Alpha_13C_Calcite/CO2(aq) Log_alpha_13C_Calcite/CO2(aq) + Alpha_13C_Calcite/CO2(g) Log_alpha_13C_Calcite/CO2(g) + Alpha_14C_Calcite/CO2(aq) Log_alpha_14C_Calcite/CO2(aq) + Alpha_14C_Calcite/CO2(g) Log_alpha_14C_Calcite/CO2(g) # Pyrite - Alpha_34S_Pyrite/HS- Log_alpha_34S_Pyrite/HS- + Alpha_34S_Pyrite/HS- Log_alpha_34S_Pyrite/HS- # CH4(g) - Alpha_D_CH4(g)/H2O(l) Log_alpha_D_CH4(g)/H2O(l) - Alpha_T_CH4(g)/H2O(l) Log_alpha_T_CH4(g)/H2O(l) - Alpha_13C_CH4(g)/CO2(aq) Log_alpha_13C_CH4(g)/CO2(aq) #? - Alpha_14C_CH4(g)/CO2(aq) Log_alpha_14C_CH4(g)/CO2(aq) #? + Alpha_D_CH4(g)/H2O(l) Log_alpha_D_CH4(g)/H2O(l) + Alpha_T_CH4(g)/H2O(l) Log_alpha_T_CH4(g)/H2O(l) + Alpha_13C_CH4(g)/CO2(aq) Log_alpha_13C_CH4(g)/CO2(aq) #? + Alpha_14C_CH4(g)/CO2(aq) Log_alpha_14C_CH4(g)/CO2(aq) #? # H2S(g) - Alpha_D_H2S(g)/H2S(aq) Log_alpha_D_H2S(g)/H2S(aq) - Alpha_T_H2S(g)/H2S(aq) Log_alpha_T_H2S(g)/H2S(aq) - Alpha_34S_H2S(g)/H2S(aq) Log_alpha_34S_H2S(g)/H2S(aq) + Alpha_D_H2S(g)/H2S(aq) Log_alpha_D_H2S(g)/H2S(aq) + Alpha_T_H2S(g)/H2S(aq) Log_alpha_T_H2S(g)/H2S(aq) + Alpha_34S_H2S(g)/H2S(aq) Log_alpha_34S_H2S(g)/H2S(aq) # Gypsum - Alpha_34S_Gypsum/SO4-2 Log_alpha_34S_Gypsum/SO4-2 + Alpha_34S_Gypsum/SO4-2 Log_alpha_34S_Gypsum/SO4-2 # Anhydrite - Alpha_34S_Anhydrite/SO4-2 Log_alpha_34S_Anhydrite/SO4-2 + Alpha_34S_Anhydrite/SO4-2 Log_alpha_34S_Anhydrite/SO4-2 # N2(g) - Alpha_15N_N2(g)/N2(aq) Log_alpha_15N_N2(g)/N2(aq) + Alpha_15N_N2(g)/N2(aq) Log_alpha_15N_N2(g)/N2(aq) # NH3(g) - Alpha_D_NH3(g)/H2O(l) Log_alpha_D_NH3(g)/H2O(l) + Alpha_D_NH3(g)/H2O(l) Log_alpha_D_NH3(g)/H2O(l) #Alpha_T_NH3(g)/H2O(l) Log_alpha_T_NH3(g)/H2O(l) - Alpha_15N_NH3(g)/NH3(aq) Log_alpha_15N_NH3(g)/NH3(aq) + Alpha_15N_NH3(g)/NH3(aq) Log_alpha_15N_NH3(g)/NH3(aq) NAMED_EXPRESSIONS # # OH- fractionation factors # -Log_alpha_D_OH-/H2O(l) # 1000ln(alpha(25C)) = -1435 +Log_alpha_D_OH-/H2O(l) # 1000ln(alpha(25C)) = -1435 # 13.5 C - -ln_alpha1000 -1435.0 + -ln_alpha1000 -1435 -Log_alpha_T_OH-/H2O(l) # 1000ln(alpha(25C)) = -2870 +Log_alpha_T_OH-/H2O(l) # 1000ln(alpha(25C)) = -2870 # 13.5 C - -ln_alpha1000 -2870.0 + -ln_alpha1000 -2870 -Log_alpha_18O_OH-/H2O(l) # 1000ln(alpha(25C)) = -37.8 +Log_alpha_18O_OH-/H2O(l) # 1000ln(alpha(25C)) = -37.8 # 25 C - -ln_alpha1000 -37.777 + -ln_alpha1000 -37.777 # # H3O- fractionation factors # -Log_alpha_D_H3O+/H2O(l) # 1000ln(alpha(25C)) = 40.8 +Log_alpha_D_H3O+/H2O(l) # 1000ln(alpha(25C)) = 40.8 # 13.5 C - -ln_alpha1000 40.82 - -Log_alpha_T_H3O+/H2O(l) # 1000ln(alpha(25C)) = 81.6 + -ln_alpha1000 40.82 + +Log_alpha_T_H3O+/H2O(l) # 1000ln(alpha(25C)) = 81.6 # 13.5 C - -ln_alpha1000 81.64 - -Log_alpha_18O_H3O+/H2O(l) # 1000ln(alpha(25C)) = 22.9 + -ln_alpha1000 81.64 + +Log_alpha_18O_H3O+/H2O(l) # 1000ln(alpha(25C)) = 22.9 # 25 C - -ln_alpha1000 22.86 + -ln_alpha1000 22.86 # # O2(aq) fractionation factors # Log_alpha_18O_O2(aq)/H2O(l) - -ln_alpha1000 0.0 + -ln_alpha1000 0 # # H2(aq) fractionation factors # Log_alpha_D_H2(aq)/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_H2(aq)/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 # # CO2(aq) fractionation factors # -Log_alpha_18O_CO2(aq)/H2O(l) # 1000ln(alpha(25C)) = 41.2 +Log_alpha_18O_CO2(aq)/H2O(l) # 1000ln(alpha(25C)) = 41.2 # 0-100 C - -ln_alpha1000 -21.9285 0.0 19.43596e3 0.0 -0.181115e6 + -ln_alpha1000 -21.9285 0 19.43596e3 0 -0.181115e6 -Log_alpha_13C_CO2(aq)/CO2(g) # 1000ln(alpha(25C)) -0.84 +Log_alpha_13C_CO2(aq)/CO2(g) # 1000ln(alpha(25C)) -0.84 # Deines and others (1974) - -ln_alpha1000 -0.91 0.0 0.0 0.0 .0063e6 + -ln_alpha1000 -0.91 0 0 0 .0063e6 -Log_alpha_14C_CO2(aq)/CO2(g) # 1000ln(alpha(25C)) -0.84 - -add_logk Log_alpha_13C_CO2(aq)/CO2(g) 2 +Log_alpha_14C_CO2(aq)/CO2(g) # 1000ln(alpha(25C)) -0.84 + -add_logk Log_alpha_13C_CO2(aq)/CO2(g) 2 # # HCO3- fractionation factors # -Log_alpha_18O_HCO3-/H2O(l) - -ln_alpha1000 0.0 #? +Log_alpha_18O_HCO3-/H2O(l) + -ln_alpha1000 0 #? Log_alpha_D_HCO3-/H2O(l) - -ln_alpha1000 0.0 + -ln_alpha1000 0 -Log_alpha_T_HCO3-/H2O(l) - -ln_alpha1000 0.0 +Log_alpha_T_HCO3-/H2O(l) + -ln_alpha1000 0 -Log_alpha_13C_HCO3-/CO2(g) # 1000ln(alpha(25C)) = 7.82 +Log_alpha_13C_HCO3-/CO2(g) # 1000ln(alpha(25C)) = 7.82 # Deines and others (1974) - -ln_alpha1000 -4.54 0.0 0.0 0.0 1.099e6 + -ln_alpha1000 -4.54 0 0 0 1.099e6 -Log_alpha_13C_HCO3-/CO2(aq) # 1000ln(alpha(25C)) = 8.7 +Log_alpha_13C_HCO3-/CO2(aq) # 1000ln(alpha(25C)) = 8.7 # 0-100 C # -ln_alpha1000 -3.63 0.0 0.0 0.0 1.0927e6 - -add_logk Log_alpha_13C_HCO3-/CO2(g) 1 - -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1 + -add_logk Log_alpha_13C_HCO3-/CO2(g) 1 + -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1 -Log_alpha_14C_HCO3-/CO2(g) # 1000ln(alpha(25C)) = 7.82 +Log_alpha_14C_HCO3-/CO2(g) # 1000ln(alpha(25C)) = 7.82 # Deines and others (1974) - -add_logk Log_alpha_13C_HCO3-/CO2(g) 2 + -add_logk Log_alpha_13C_HCO3-/CO2(g) 2 -Log_alpha_14C_HCO3-/CO2(aq) # 1000ln(alpha(25C)) = 17.3 +Log_alpha_14C_HCO3-/CO2(aq) # 1000ln(alpha(25C)) = 17.3 # 0-100 C # -ln_alpha1000 -7.26 0.0 0.0 0.0 2.1854e6 - -add_logk Log_alpha_14C_HCO3-/CO2(g) 1 - -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1 + -add_logk Log_alpha_14C_HCO3-/CO2(g) 1 + -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1 # # CO3-2 fractionation factors # Log_alpha_18O_CO3-2/H2O(l) - -ln_alpha1000 0.0 - -Log_alpha_13C_CO3-2/CO2(g) # 1000ln(alpha(25C)) + -ln_alpha1000 0 + +Log_alpha_13C_CO3-2/CO2(g) # 1000ln(alpha(25C)) # Deines and others (1974) - -ln_alpha1000 -3.4 0.0 0.0 0.0 0.870e6 + -ln_alpha1000 -3.4 0 0 0 0.87e6 -Log_alpha_13C_CO3-2/CO2(aq) # 1000ln(alpha(25C)) +Log_alpha_13C_CO3-2/CO2(aq) # 1000ln(alpha(25C)) # 0-100 C # -ln_alpha1000 -2.49 0.0 0.0 0.0 0.8637e6 - -add_logk Log_alpha_13C_CO3-2/CO2(g) 1 - -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1 + -add_logk Log_alpha_13C_CO3-2/CO2(g) 1 + -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1 -Log_alpha_14C_CO3-2/CO2(g) # 1000ln(alpha(25C)) +Log_alpha_14C_CO3-2/CO2(g) # 1000ln(alpha(25C)) # Deines and others (1974) - -add_logk Log_alpha_13C_CO3-2/CO2(g) 2 + -add_logk Log_alpha_13C_CO3-2/CO2(g) 2 -Log_alpha_14C_CO3-2/CO2(aq) # 1000ln(alpha(25C)) - # +Log_alpha_14C_CO3-2/CO2(aq) # 1000ln(alpha(25C)) + # # -ln_alpha1000 -2.49 0.0 0.0 0.0 0.8637e6 - -add_logk Log_alpha_14C_CO3-2/CO2(g) 1 - -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1 + -add_logk Log_alpha_14C_CO3-2/CO2(g) 1 + -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1 # # CH4(aq) fractionation factors # Log_alpha_D_CH4(aq)/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_CH4(aq)/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_13C_CH4(aq)/CO2(aq) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_14C_CH4(aq)/CO2(aq) - -ln_alpha1000 0 + -ln_alpha1000 0 # -# HSO4- fractionation factors +# HSO4- fractionation factors # Log_alpha_D_HSO4-/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_HSO4-/H2O(l) - -ln_alpha1000 0 - + -ln_alpha1000 0 + Log_alpha_34S_HSO4-/SO4-2 - -ln_alpha1000 0.0 + -ln_alpha1000 0 # # S-2 fractionation factors # Log_alpha_34S_S-2/HS- - -ln_alpha1000 0.0 + -ln_alpha1000 0 # # HS- fractionation factors # Log_alpha_D_HS-/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_HS-/H2O(l) - -ln_alpha1000 0 - + -ln_alpha1000 0 + Log_alpha_34S_HS-/SO4-2 - -ln_alpha1000 0.0 + -ln_alpha1000 0 # # H2S fractionation factors # Log_alpha_D_H2S(aq)/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_H2S(aq)/H2O(l) - -ln_alpha1000 0 - + -ln_alpha1000 0 + Log_alpha_34S_H2S(aq)/HS- - -ln_alpha1000 0.0 + -ln_alpha1000 0 # # NO2- fractionation factors # -Log_alpha_15N_NO2-/NO3- - -ln_alpha1000 0.0 +Log_alpha_15N_NO2-/NO3- + -ln_alpha1000 0 # # N2(aq) fractionation factors -# +# Log_alpha_15N_N2(aq)/NO3- - -ln_alpha1000 0.0 + -ln_alpha1000 0 # # NH3(aq) fractionation factors -# +# Log_alpha_D_NH3(aq)/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_NH3(aq)/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_15N_NH3(aq)/NO3- - -ln_alpha1000 0 + -ln_alpha1000 0 # # NH4+ fractionation factors -# +# Log_alpha_D_NH4+/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_NH4+/H2O(l) - -ln_alpha1000 0 - + -ln_alpha1000 0 + Log_alpha_15N_NH4+/NH3(aq) - -ln_alpha1000 0 + -ln_alpha1000 0 # # H2O(g) fractionation factors # -Log_alpha_D_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -76.4 +Log_alpha_D_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -76.4 # 0-100 C - -ln_alpha1000 -52.612 0.0 76.248e3 0.0 -24.844e6 + -ln_alpha1000 -52.612 0 76.248e3 0 -24.844e6 -Log_alpha_T_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -152.7 +Log_alpha_T_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -152.7 # 0-100 C - -ln_alpha1000 -105.224 0.0 152.496e3 0.0 -49.688e6 + -ln_alpha1000 -105.224 0 152.496e3 0 -49.688e6 -Log_alpha_18O_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -9.3 +Log_alpha_18O_H2O(g)/H2O(l) # 1000ln(alpha(25C)) = -9.3 # 0-100 C - -ln_alpha1000 2.0667 0.0 0.4156e3 0.0 -1.137e6 + -ln_alpha1000 2.0667 0 0.4156e3 0 -1.137e6 # # O2(g) fractionaton factors # -Log_alpha_18O_O2(g)/H2O(l) - -ln_alpha1000 0.0 +Log_alpha_18O_O2(g)/H2O(l) + -ln_alpha1000 0 # # H2(g) fractionaton factors # Log_alpha_D_H2(g)/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_H2(g)/H2O(l) - -ln_alpha1000 0 + -ln_alpha1000 0 # # CO2(g) fractionaton factors -# -Log_alpha_18O_CO2(g)/H2O(l) # 1000ln(alpha(25C)) = 40.151 +# +Log_alpha_18O_CO2(g)/H2O(l) # 1000ln(alpha(25C)) = 40.151 # 0-100 C - -ln_alpha1000 -19.97 0.0 17.9942e3 0.0 -0.0206e6 + -ln_alpha1000 -19.97 0 17.9942e3 0 -0.0206e6 # Battinga, written commun. 1973, cited in Friedman and O'Neill -Log_alpha_13C_CO2(g)/CO2(aq) # 1000ln(alpha(25C)) = 0.84 +Log_alpha_13C_CO2(g)/CO2(aq) # 1000ln(alpha(25C)) = 0.84 # 0-100 C - -ln_alpha1000 0.91 0.0 0.0 0.0 -0.0063e6 + -ln_alpha1000 0.91 0 0 0 -0.0063e6 -Log_alpha_14C_CO2(g)/CO2(aq) # 1000ln(alpha(25C)) = 1.7 +Log_alpha_14C_CO2(g)/CO2(aq) # 1000ln(alpha(25C)) = 1.7 # 0-100 C - -ln_alpha1000 1.82 0.0 0.0 0.0 -0.0126e6 + -ln_alpha1000 1.82 0 0 0 -0.0126e6 # # CO2-Calcite fractionation factors # #Log_alpha_18O_CO2(aq)/Calcite # 1000ln(alpha(25C)) = 13.6 # # 0-100 C # -ln_alpha1000 -4.7383 0.0 12.05276e3 0.0 -1.963915e6 -Log_alpha_18O_Calcite/H2O(l) # 1000ln(alpha(25C)) = 28.38 +Log_alpha_18O_Calcite/H2O(l) # 1000ln(alpha(25C)) = 28.38 # O'Neil, Clayton and Mayeda (1969) - -ln_alpha1000 -2.89 0 0 0 2.78e6 - -Log_alpha_13C_Calcite/CO2(g) # 1000ln(alpha(25C)) + -ln_alpha1000 -2.89 0 0 0 2.78e6 + +Log_alpha_13C_Calcite/CO2(g) # 1000ln(alpha(25C)) # Deines and others (1974) - -ln_alpha1000 -3.63 0.0 0.0 0.0 1.194e6 + -ln_alpha1000 -3.63 0 0 0 1.194e6 -Log_alpha_13C_Calcite/CO2(aq) # 1000ln(alpha(25C)) +Log_alpha_13C_Calcite/CO2(aq) # 1000ln(alpha(25C)) # Deines and others (1974) - -add_logk Log_alpha_13C_Calcite/CO2(g) 1 - -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1 + -add_logk Log_alpha_13C_Calcite/CO2(g) 1 + -add_logk Log_alpha_13C_CO2(aq)/CO2(g) -1 -Log_alpha_14C_Calcite/CO2(g) # 1000ln(alpha(25C)) - -add_logk Log_alpha_13C_Calcite/CO2(g) 2 +Log_alpha_14C_Calcite/CO2(g) # 1000ln(alpha(25C)) + -add_logk Log_alpha_13C_Calcite/CO2(g) 2 -Log_alpha_14C_Calcite/CO2(aq) # 1000ln(alpha(25C)) +Log_alpha_14C_Calcite/CO2(aq) # 1000ln(alpha(25C)) # Deines and others (1974) - -add_logk Log_alpha_14C_Calcite/CO2(g) 1 - -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1 + -add_logk Log_alpha_14C_Calcite/CO2(g) 1 + -add_logk Log_alpha_14C_CO2(aq)/CO2(g) -1 # # Pyrite fractionation factors -# +# Log_alpha_34S_Pyrite/HS- - -ln_alpha1000 0 + -ln_alpha1000 0 # # CH4(g) fractionation factors -# +# Log_alpha_D_CH4(g)/H2O(l) #? - -ln_alpha1000 0.0 + -ln_alpha1000 0 Log_alpha_T_CH4(g)/H2O(l) #? - -ln_alpha1000 0.0 - + -ln_alpha1000 0 + Log_alpha_13C_CH4(g)/CO2(aq) #? - -ln_alpha1000 0.0 - + -ln_alpha1000 0 + Log_alpha_14C_CH4(g)/CO2(aq) #? - -ln_alpha1000 0.0 + -ln_alpha1000 0 # # H2S(g) fractionation factors # Log_alpha_D_H2S(g)/H2S(aq) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_H2S(g)/H2S(aq) - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_34S_H2S(g)/H2S(aq) - -ln_alpha1000 0 + -ln_alpha1000 0 # # Gypsum fractionation factors # Log_alpha_34S_Gypsum/SO4-2 - -ln_alpha1000 0 + -ln_alpha1000 0 # # Anhydrite fractionation factors # Log_alpha_34S_Anhydrite/SO4-2 - -ln_alpha1000 0 + -ln_alpha1000 0 # # N2(g) fractionation factors # Log_alpha_15N_N2(g)/N2(aq) - -ln_alpha1000 0 + -ln_alpha1000 0 # # NH3(g) fractionation factors # Log_alpha_D_NH3(g)/H2O(l) #? - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_T_NH3(g)/H2O(l) #? - -ln_alpha1000 0 + -ln_alpha1000 0 Log_alpha_15N_NH3(g)/NH3(aq) - -ln_alpha1000 0 + -ln_alpha1000 0 ############################################################################################### CALCULATE_VALUES @@ -1502,7 +1506,7 @@ R(D) 100 save ratio -end -R(T) ?? +R(T) ?? -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 100 @@ -2056,7 +2060,7 @@ R(D)_NH3(aq) -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 100 -30 total_D = sum_species("{[15N],N}{H,D,T}3","D") +30 total_D = sum_species("{[15N],N}{H,D,T}3","D") 40 total_H = sum_species("{[15N],N}{H,D,T}3","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_D/total_H @@ -2067,7 +2071,7 @@ R(T)_NH3(aq) -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 100 -30 total_T = sum_species("{[15N],N}{H,D,T}3","T") +30 total_T = sum_species("{[15N],N}{H,D,T}3","T") 40 total_H = sum_species("{[15N],N}{H,D,T}3","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_T/total_H @@ -2078,7 +2082,7 @@ R(15N)_NH3(aq) -start 10 ratio = -9999.999 20 if (TOT("[15N]") <= 0) THEN GOTO 100 -30 total_15N = sum_species("[15N]{H,D,T}3","[15N]") +30 total_15N = sum_species("[15N]{H,D,T}3","[15N]") 40 total_N = sum_species("N{H,D,T}3","N") 50 if (total_N <= 0) THEN GOTO 100 60 ratio = total_15N/total_N @@ -2091,7 +2095,7 @@ R(D)_NH4+ -start 10 ratio = -9999.999 20 if (TOT("D") <= 0) THEN GOTO 100 -30 total_D = sum_species("*{[15N],N}{H,D,T}4*","D") +30 total_D = sum_species("*{[15N],N}{H,D,T}4*","D") 40 total_H = sum_species("*{[15N],N}{H,D,T}4*","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_D/total_H @@ -2102,7 +2106,7 @@ R(T)_NH4+ -start 10 ratio = -9999.999 20 if (TOT("T") <= 0) THEN GOTO 100 -30 total_T = sum_species("*{[15N],N}{H,D,T}4*","T") +30 total_T = sum_species("*{[15N],N}{H,D,T}4*","T") 40 total_H = sum_species("*{[15N],N}{H,D,T}4*","H") 50 if (total_H <= 0) THEN GOTO 100 60 ratio = total_T/total_H @@ -2113,7 +2117,7 @@ R(15N)_NH4+ -start 10 ratio = -9999.999 20 if (TOT("[15N]") <= 0) THEN GOTO 100 -30 total_15N = sum_species("*[15N]{H,D,T}4*","[15N]") +30 total_15N = sum_species("*[15N]{H,D,T}4*","[15N]") 40 total_N = sum_species("*N{H,D,T}4*","N") 50 if (total_N <= 0) THEN GOTO 100 60 ratio = total_15N/total_N @@ -3725,209 +3729,209 @@ SOLUTION_SPECIES ############################################################################################### D2O = D2O -activity_water - log_k 0 + log_k 0 HTO = HTO -activity_water - log_k 0 + log_k 0 H2[18O] = H2[18O] -activity_water - log_k 0 + log_k 0 CO2 = CO2 - log_k 0 + log_k 0 [13C]O2 = [13C]O2 - log_k 0 + log_k 0 [14C]O2 = [14C]O2 - log_k 0 + log_k 0 [34S]O4-2 = [34S]O4-2 - log_k 0.0 - -gamma 5.0000 -0.0400 + log_k 0 + -gamma 5 -0.04 -[15N]O3- = [15N]O3- - log_k 0.0 - -gamma 3.0000 0.0000 +[15N]O3- = [15N]O3- + log_k 0 + -gamma 3 0 # -# H2O reactions +# H2O reactions # last update July 31, 2006 # checked September 19, 2006 # -0.5H2O + 0.5D2O = HDO - log_k 0.301029995663 # log10(2) +0.5 H2O + 0.5 D2O = HDO + log_k 0.301029995663 # log10(2) -activity_water HDO + HTO = DTO + H2O - -mole_balance DTO - log_k -0.301029995663 # log10(1/2) + -mole_balance DTO + log_k -0.301029995663 # log10(1/2) -activity_water -2HTO = T2O + H2O - -mole_balance T2O - log_k -0.6020599913279623960 # log10(1/4) +2 HTO = T2O + H2O + -mole_balance T2O + log_k -0.602059991327962396 # log10(1/4) -activity_water H2[18O] + HDO = HD[18O] + H2O - -mole_balance HD[18O] - log_k 0.0 + -mole_balance HD[18O] + log_k 0 -activity_water H2[18O] + HTO = HT[18O] + H2O - -mole_balance HT[18O] - log_k 0.0 + -mole_balance HT[18O] + log_k 0 -activity_water - -DTO + H2[18O] = DT[18O] + H2O - -mole_balance DT[18O] - log_k 0.0 + +DTO + H2[18O] = DT[18O] + H2O + -mole_balance DT[18O] + log_k 0 -activity_water - + D2O + H2[18O] = D2[18O] + H2O - -mole_balance D2[18O] - log_k 0.0 + -mole_balance D2[18O] + log_k 0 -activity_water - + H2[18O] + T2O = T2[18O] + H2O - -mole_balance T2[18O] - log_k 0.0 + -mole_balance T2[18O] + log_k 0 -activity_water # -# OH- reactions +# OH- reactions # last update July 31, 2006 # checked September 19, 2006 # OH- + HDO = OD- + H2O - -mole_balance OD - log_k -0.301029995663 # -log10(2) - -add_logk Log_alpha_D_OH-/H2O(l) 1.0 - -gamma 3.5000 0.0000 - + -mole_balance OD + log_k -0.301029995663 # -log10(2) + -add_logk Log_alpha_D_OH-/H2O(l) 1 + -gamma 3.5 0 + OH- + HTO = OT- + H2O - -mole_balance OT - log_k -0.301029995663 # -log10(2) - -add_logk Log_alpha_T_OH-/H2O(l) 1.0 - -gamma 3.5000 0.0000 - + -mole_balance OT + log_k -0.301029995663 # -log10(2) + -add_logk Log_alpha_T_OH-/H2O(l) 1 + -gamma 3.5 0 + OH- + H2[18O] = [18O]H- + H2O - -mole_balance [18O]H - -add_logk Log_alpha_18O_OH-/H2O(l) 1.0 - -gamma 3.5000 0.0000 - + -mole_balance [18O]H + -add_logk Log_alpha_18O_OH-/H2O(l) 1 + -gamma 3.5 0 + [18O]H- + OD- = [18O]D- + OH- - -mole_balance [18O]D - log_k 0.0 - -gamma 3.5000 0.0000 - + -mole_balance [18O]D + log_k 0 + -gamma 3.5 0 + [18O]H- + OT- = [18O]T- + OH- - -mole_balance [18O]T - log_k 0.0 - -gamma 3.5000 0.0000 + -mole_balance [18O]T + log_k 0 + -gamma 3.5 0 # # H3O+ reactions # last update July 31, 2006 # checked September 19, 2006 # H3O+ + HDO = H2DO+ + H2O - -mole_balance H2DO - log_k 0.176091259055 # log10(1.5) - -add_logk Log_alpha_D_H3O+/H2O(l) 1.0 - -gamma 9.0000 0.0000 - -2H2DO+ = HD2O+ + H3O+ - -mole_balance HD2O - log_k -0.477121254719662 # log10(1/3) - -gamma 9.0000 0.0000 - + -mole_balance H2DO + log_k 0.176091259055 # log10(1.5) + -add_logk Log_alpha_D_H3O+/H2O(l) 1 + -gamma 9 0 + +2 H2DO+ = HD2O+ + H3O+ + -mole_balance HD2O + log_k -0.477121254719662 # log10(1/3) + -gamma 9 0 + H2DO+ + HD2O+ = D3O+ + H3O+ - -mole_balance D3O - log_k -0.954242509439324 # log10(1/9) - -gamma 9.0000 0.0000 - + -mole_balance D3O + log_k -0.954242509439324 # log10(1/9) + -gamma 9 0 + H3O+ + HTO = H2TO+ + H2O - -mole_balance H2TO - log_k 0.176091259055 # log10(1.5) - -add_logk Log_alpha_T_H3O+/H2O(l) 1.0 - -gamma 9.0000 0.0000 - -2H2TO+ = HT2O+ + H3O+ - -mole_balance HT2O - log_k -0.477121254719662 # log10(1/3) - -gamma 9.0000 0.0000 - + -mole_balance H2TO + log_k 0.176091259055 # log10(1.5) + -add_logk Log_alpha_T_H3O+/H2O(l) 1 + -gamma 9 0 + +2 H2TO+ = HT2O+ + H3O+ + -mole_balance HT2O + log_k -0.477121254719662 # log10(1/3) + -gamma 9 0 + H2TO+ + HT2O+ = T3O+ + H3O+ - -mole_balance T3O - log_k -0.954242509439324 # log10(1/9) - -gamma 9.0000 0.0000 - + -mole_balance T3O + log_k -0.954242509439324 # log10(1/9) + -gamma 9 0 + H2TO+ + H2DO+ = HDTO+ + H3O+ - -mole_balance HDTO - log_k -0.477121254719662 # log10(1/3) - -gamma 9.0000 0.0000 - + -mole_balance HDTO + log_k -0.477121254719662 # log10(1/3) + -gamma 9 0 + H2TO+ + HD2O+ = D2TO+ + H3O+ - -mole_balance D2TO - log_k -0.477121254719662 # log10(1/3) - -gamma 9.0000 0.0000 - + -mole_balance D2TO + log_k -0.477121254719662 # log10(1/3) + -gamma 9 0 + H2DO+ + HT2O+ = DT2O+ + H3O+ - -mole_balance DT2O - log_k -0.477121254719662 # log10(1/3) - -gamma 9.0000 0.0000 - + -mole_balance DT2O + log_k -0.477121254719662 # log10(1/3) + -gamma 9 0 + H3O+ + H2[18O] = H3[18O]+ + H2O - -mole_balance H3[18O] - -add_logk Log_alpha_18O_H3O+/H2O(l) 1.0 - -gamma 9.0000 0.0000 + -mole_balance H3[18O] + -add_logk Log_alpha_18O_H3O+/H2O(l) 1 + -gamma 9 0 H3[18O]+ + H2DO+ = H2D[18O]+ + H3O+ - -mole_balance H2D[18O] - log_k 0.0 - -gamma 9.0000 0.0000 - + -mole_balance H2D[18O] + log_k 0 + -gamma 9 0 + H3[18O]+ + HD2O+ = HD2[18O]+ + H3O+ - -mole_balance HD2[18O] - log_k 0.0 - -gamma 9.0000 0.0000 - + -mole_balance HD2[18O] + log_k 0 + -gamma 9 0 + H3[18O]+ + D3O+ = D3[18O]+ + H3O+ - -mole_balance D3[18O] - log_k 0.0 - -gamma 9.0000 0.0000 - + -mole_balance D3[18O] + log_k 0 + -gamma 9 0 + H3[18O]+ + H2TO+ = H2T[18O]+ + H3O+ - -mole_balance H2T[18O] - log_k 0.0 - -gamma 9.0000 0.0000 - + -mole_balance H2T[18O] + log_k 0 + -gamma 9 0 + H3[18O]+ + HT2O+ = HT2[18O]+ + H3O+ - -mole_balance HT2[18O] - log_k 0.0 - -gamma 9.0000 0.0000 - + -mole_balance HT2[18O] + log_k 0 + -gamma 9 0 + H3[18O]+ + T3O+ = T3[18O]+ + H3O+ - -mole_balance T3[18O] - log_k 0.0 - -gamma 9.0000 0.0000 - + -mole_balance T3[18O] + log_k 0 + -gamma 9 0 + H3[18O]+ + HDTO+ = HDT[18O]+ + H3O+ - -mole_balance HDT[18O] - log_k 0.0 - -gamma 9.0000 0.0000 - + -mole_balance HDT[18O] + log_k 0 + -gamma 9 0 + H3[18O]+ + D2TO+ = D2T[18O]+ + H3O+ - -mole_balance D2T[18O] - log_k 0.0 - -gamma 9.0000 0.0000 - + -mole_balance D2T[18O] + log_k 0 + -gamma 9 0 + H3[18O]+ + DT2O+ = DT2[18O]+ + H3O+ - -mole_balance DT2[18O] - log_k 0.0 - -gamma 9.0000 0.0000 - + -mole_balance DT2[18O] + log_k 0 + -gamma 9 0 + # # O2 reactions # last update July 31, 2006 @@ -3935,79 +3939,79 @@ H3[18O]+ + DT2O+ = DT2[18O]+ + H3O+ # O2 + H2[18O] = O[18O] + H2O - log_k 0.301029995663 # log10(2) - -add_logk Log_alpha_18O_O2(aq)/H2O(l) 1.0 - -mole_balance O(0)[18O](0) - -2O[18O] = [18O]2 + O2 - log_k -0.602059991327962396 # -log10(4) - -mole_balance [18O](0)2 + log_k 0.301029995663 # log10(2) + -add_logk Log_alpha_18O_O2(aq)/H2O(l) 1 + -mole_balance O(0)[18O](0) + +2 O[18O] = [18O]2 + O2 + log_k -0.602059991327962396 # -log10(4) + -mole_balance [18O](0)2 # # H2 reactions # last update July 31, 2006 # checked September 19, 2006 # H2 + HDO = HD + H2O - -mole_balance H(0)D(0) - -add_logk Log_alpha_D_H2(aq)/H2O(l) 1.0 - -2HD = D2 + H2 - -mole_balance D(0)2 - log_k -0.602059991327962396 # -log10(4) - + -mole_balance H(0)D(0) + -add_logk Log_alpha_D_H2(aq)/H2O(l) 1 + +2 HD = D2 + H2 + -mole_balance D(0)2 + log_k -0.602059991327962396 # -log10(4) + H2 + HTO = HT + H2O - -mole_balance H(0)T(0) - -add_logk Log_alpha_T_H2(aq)/H2O(l) 1.0 - -2HT = T2 + H2 - -mole_balance T(0)2 - log_k -0.602059991327962396 # -log10(4) - + -mole_balance H(0)T(0) + -add_logk Log_alpha_T_H2(aq)/H2O(l) 1 + +2 HT = T2 + H2 + -mole_balance T(0)2 + log_k -0.602059991327962396 # -log10(4) + HT + HD = DT + H2 - -mole_balance D(0)T(0) - log_k -0.301029995663 # -log10(2) + -mole_balance D(0)T(0) + log_k -0.301029995663 # -log10(2) # # CO2 reactions # last update July 31, 2006 # Checked September 19, 2006 # CO2 + H2[18O] = CO[18O] + H2O - log_k 0.301029995663 # log10(2) - -add_logk Log_alpha_18O_CO2(aq)/H2O(l) 1.0 - -2CO[18O] = C[18O]2 + CO2 - log_k -0.6020599913279623960 # log10(1/4) - + log_k 0.301029995663 # log10(2) + -add_logk Log_alpha_18O_CO2(aq)/H2O(l) 1 + +2 CO[18O] = C[18O]2 + CO2 + log_k -0.602059991327962396 # log10(1/4) + [13C]O2 + CO[18O] = [13C]O[18O] + CO2 - log_k 0 - + log_k 0 + [13C]O2 + C[18O]2 = [13C][18O]2 + CO2 - log_k 0 + log_k 0 [14C]O2 + CO[18O] = [14C]O[18O] + CO2 - log_k 0 + log_k 0 [14C]O2 + C[18O]2 = [14C][18O]2 + CO2 - log_k 0 + log_k 0 # # HCO3- reactions # last update July 31, 2006 # Checked September 19, 2006 # HCO3- + H2[18O] = HCO2[18O]- + H2O - -add_logk Log_alpha_18O_HCO3-/H2O(l) 1.0 - + -add_logk Log_alpha_18O_HCO3-/H2O(l) 1 + HCO2[18O]- = HCO[18O]O- -HCO2[18O]- = HC[18O]O2- -2HCO2[18O]- = HCO[18O]2- + HCO3- -HCO[18O]2- = HC[18O]O[18O]- -HCO[18O]2- = HC[18O]2O- -3HCO2[18O]- = HC[18O]3- + 2HCO3- +HCO2[18O]- = HC[18O]O2- +2 HCO2[18O]- = HCO[18O]2- + HCO3- +HCO[18O]2- = HC[18O]O[18O]- +HCO[18O]2- = HC[18O]2O- +3 HCO2[18O]- = HC[18O]3- + 2 HCO3- HDO + HCO3- = DCO3- + H2O - log_k -0.301029995663 # -log10(2) - -add_logk Log_alpha_D_HCO3-/H2O(l) 1.0 - + log_k -0.301029995663 # -log10(2) + -add_logk Log_alpha_D_HCO3-/H2O(l) 1 + DCO3- + HCO2[18O]- = DCO2[18O]- + HCO3- DCO3- + HCO[18O]O- = DCO[18O]O- + HCO3- DCO3- + HC[18O]O2- = DC[18O]O2- + HCO3- @@ -4017,9 +4021,9 @@ DCO3- + HC[18O]2O- = DC[18O]2O- + HCO3- DCO3- + HC[18O]3- = DC[18O]3- + HCO3- HTO + HCO3- = TCO3- + H2O - log_k -0.301029995663 # -log10(2) - -add_logk Log_alpha_T_HCO3-/H2O(l) 1.0 - + log_k -0.301029995663 # -log10(2) + -add_logk Log_alpha_T_HCO3-/H2O(l) 1 + TCO3- + HCO2[18O]- = TCO2[18O]- + HCO3- TCO3- + HCO[18O]O- = TCO[18O]O- + HCO3- TCO3- + HC[18O]O2- = TC[18O]O2- + HCO3- @@ -4029,8 +4033,8 @@ TCO3- + HC[18O]2O- = TC[18O]2O- + HCO3- TCO3- + HC[18O]3- = TC[18O]3- + HCO3- HCO3- + [13C]O2 = H[13C]O3- + CO2 - -add_logk Log_alpha_13C_HCO3-/CO2(aq) 1.0 - + -add_logk Log_alpha_13C_HCO3-/CO2(aq) 1 + H[13C]O3- + HCO2[18O]- = H[13C]O2[18O]- + HCO3- H[13C]O3- + HCO[18O]O- = H[13C]O[18O]O- + HCO3- H[13C]O3- + HC[18O]O2- = H[13C][18O]O2- + HCO3- @@ -4056,8 +4060,8 @@ H[13C]O3- + TC[18O]2O- = T[13C][18O]2O- + HCO3- H[13C]O3- + TC[18O]3- = T[13C][18O]3- + HCO3- HCO3- + [14C]O2 = H[14C]O3- + CO2 - -add_logk Log_alpha_14C_HCO3-/CO2(aq) 1.0 - + -add_logk Log_alpha_14C_HCO3-/CO2(aq) 1 + H[14C]O3- + HCO2[18O]- = H[14C]O2[18O]- + HCO3- H[14C]O3- + HCO[18O]O- = H[14C]O[18O]O- + HCO3- H[14C]O3- + HC[18O]O2- = H[14C][18O]O2- + HCO3- @@ -4087,210 +4091,210 @@ H[14C]O3- + TC[18O]3- = T[14C][18O]3- + HCO3- # Checked September 19, 2006 # CO3-2 + H2[18O] = CO2[18O]-2 + H2O - log_k 0.477121254719 # log10(3) - -add_logk Log_alpha_18O_CO3-2/H2O(l) 1.0 - -2CO2[18O]-2 = CO[18O]2-2 + CO3-2 - log_k -0.477121254719 # -log10(3) - + log_k 0.477121254719 # log10(3) + -add_logk Log_alpha_18O_CO3-2/H2O(l) 1 + +2 CO2[18O]-2 = CO[18O]2-2 + CO3-2 + log_k -0.477121254719 # -log10(3) + CO2[18O]-2 + CO[18O]2-2 = C[18O]3-2 + CO3-2 - log_k -0.954242509439324 # log10(1/9) - + log_k -0.954242509439324 # log10(1/9) + CO3-2 + [13C]O2 = [13C]O3-2 + CO2 - -add_logk Log_alpha_13C_CO3-2/CO2(aq) 1.0 - + -add_logk Log_alpha_13C_CO3-2/CO2(aq) 1 + [13C]O3-2 + CO2[18O]-2 = [13C]O2[18O]-2 + CO3-2 - log_k 0.0 - + log_k 0 + [13C]O3-2 + CO[18O]2-2 = [13C]O[18O]2-2 + CO3-2 - log_k 0.0 - + log_k 0 + [13C]O3-2 + C[18O]3-2 = [13C][18O]3-2 + CO3-2 - log_k 0.0 - + log_k 0 + CO3-2 + [14C]O2 = [14C]O3-2 + CO2 - -add_logk Log_alpha_14C_CO3-2/CO2(aq) 1.0 - + -add_logk Log_alpha_14C_CO3-2/CO2(aq) 1 + [14C]O3-2 + CO2[18O]-2 = [14C]O2[18O]-2 + CO3-2 - log_k 0.0 - + log_k 0 + [14C]O3-2 + CO[18O]2-2 = [14C]O[18O]2-2 + CO3-2 - log_k 0.0 - + log_k 0 + [14C]O3-2 + C[18O]3-2 = [14C][18O]3-2 + CO3-2 - log_k 0.0 + log_k 0 # # CH4 reactions # Updated September 19, 2006 # Checked September 19, 2006 # CH4 + HDO = CH3D + H2O - log_k 0.301029995663981198 # log10(2) - -add_logk Log_alpha_D_CH4(aq)/H2O(l) 1.0 - -2CH3D = CH2D2 + CH4 - log_k -0.42596873227228 # log10(3/8) - -3CH3D = CHD3 + 2CH4 - log_k -1.20411998265 # log10(1/16) - -4CH3D = CD4 + 3CH4 - log_k -2.408239965311 # log10(1/256) + log_k 0.301029995663981198 # log10(2) + -add_logk Log_alpha_D_CH4(aq)/H2O(l) 1 + +2 CH3D = CH2D2 + CH4 + log_k -0.42596873227228 # log10(3/8) + +3 CH3D = CHD3 + 2 CH4 + log_k -1.20411998265 # log10(1/16) + +4 CH3D = CD4 + 3 CH4 + log_k -2.408239965311 # log10(1/256) CH4 + HTO = CH3T + H2O - log_k 0.301029995663981198 # log10(2) - -add_logk Log_alpha_T_CH4(aq)/H2O(l) 1.0 + log_k 0.301029995663981198 # log10(2) + -add_logk Log_alpha_T_CH4(aq)/H2O(l) 1 -2CH3T = CH2T2 + CH4 - log_k -0.42596873227228 # log10(3/8) +2 CH3T = CH2T2 + CH4 + log_k -0.42596873227228 # log10(3/8) -3CH3T = CHT3 + 2CH4 - log_k -1.20411998265 # log10(1/16) +3 CH3T = CHT3 + 2 CH4 + log_k -1.20411998265 # log10(1/16) -4CH3T = CT4 + 3CH4 - log_k -2.408239965311 # log10(1/256) +4 CH3T = CT4 + 3 CH4 + log_k -2.408239965311 # log10(1/256) # # Added mixed DT C methane species May 19, 2006 # CH3T + CHD3 = CD3T + CH4 - log_k -0.602059991327962396 # -log10(4) + log_k -0.602059991327962396 # -log10(4) CH2T2 + CH2D2 = CD2T2 + CH4 - log_k -0.7781512503836 # -log10(6) + log_k -0.7781512503836 # -log10(6) CHT3 + CH3D = CDT3 + CH4 - log_k -0.602059991327962396 # -log10(4) + log_k -0.602059991327962396 # -log10(4) [13C]O2 + CH4 = [13C]H4 + CO2 - -add_logk Log_alpha_13C_CH4(aq)/CO2(aq) 1.0 + -add_logk Log_alpha_13C_CH4(aq)/CO2(aq) 1 -[13C]H4 + CH3D = [13C]H3D + CH4 +[13C]H4 + CH3D = [13C]H3D + CH4 [13C]H4 + CH2D2 = [13C]H2D2 + CH4 -[13C]H4 + CHD3 = [13C]HD3 + CH4 -[13C]H4 + CD4 = [13C]D4 + CH4 -[13C]H4 + CH3T = [13C]H3T + CH4 +[13C]H4 + CHD3 = [13C]HD3 + CH4 +[13C]H4 + CD4 = [13C]D4 + CH4 +[13C]H4 + CH3T = [13C]H3T + CH4 [13C]H4 + CH2T2 = [13C]H2T2 + CH4 -[13C]H4 + CHT3 = [13C]HT3 + CH4 -[13C]H4 + CT4 = [13C]T4 + CH4 -[13C]H4 + CD3T = [13C]D3T + CH4 +[13C]H4 + CHT3 = [13C]HT3 + CH4 +[13C]H4 + CT4 = [13C]T4 + CH4 +[13C]H4 + CD3T = [13C]D3T + CH4 [13C]H4 + CD2T2 = [13C]D2T2 + CH4 -[13C]H4 + CDT3 = [13C]DT3 + CH4 +[13C]H4 + CDT3 = [13C]DT3 + CH4 [14C]O2 + CH4 = [14C]H4 + CO2 - -add_logk Log_alpha_14C_CH4(aq)/CO2(aq) 1.0 + -add_logk Log_alpha_14C_CH4(aq)/CO2(aq) 1 # # Added mixed DT 14C methane species May 19, 2006 # -[14C]H4 + CH3D = [14C]H3D + CH4 +[14C]H4 + CH3D = [14C]H3D + CH4 [14C]H4 + CH2D2 = [14C]H2D2 + CH4 -[14C]H4 + CHD3 = [14C]HD3 + CH4 -[14C]H4 + CD4 = [14C]D4 + CH4 -[14C]H4 + CH3T = [14C]H3T + CH4 +[14C]H4 + CHD3 = [14C]HD3 + CH4 +[14C]H4 + CD4 = [14C]D4 + CH4 +[14C]H4 + CH3T = [14C]H3T + CH4 [14C]H4 + CH2T2 = [14C]H2T2 + CH4 -[14C]H4 + CHT3 = [14C]HT3 + CH4 -[14C]H4 + CT4 = [14C]T4 + CH4 -[14C]H4 + CD3T = [14C]D3T + CH4 +[14C]H4 + CHT3 = [14C]HT3 + CH4 +[14C]H4 + CT4 = [14C]T4 + CH4 +[14C]H4 + CD3T = [14C]D3T + CH4 [14C]H4 + CD2T2 = [14C]D2T2 + CH4 -[14C]H4 + CDT3 = [14C]DT3 + CH4 +[14C]H4 + CDT3 = [14C]DT3 + CH4 # # HSO4- reactions # Updated September 28, 2006 # Checked September 28, 2006 # HSO4- + HDO = DSO4- + H2O - log_k -0.301029995663 # -log10(2) - -add_logk Log_alpha_D_HSO4-/H2O(l) 1.0 - -mole_balance DS(6)O4- + log_k -0.301029995663 # -log10(2) + -add_logk Log_alpha_D_HSO4-/H2O(l) 1 + -mole_balance DS(6)O4- HSO4- + HTO = TSO4- + H2O - log_k -0.301029995663 # -log10(2) - -add_logk Log_alpha_T_HSO4-/H2O(l) 1.0 - -mole_balance TS(6)O4- + log_k -0.301029995663 # -log10(2) + -add_logk Log_alpha_T_HSO4-/H2O(l) 1 + -mole_balance TS(6)O4- [34S]O4-2 + HSO4- = H[34S]O4- + SO4-2 - -add_logk Log_alpha_34S_HSO4-/SO4-2 1.0 - -mole_balance H[34S](6)O4- + -add_logk Log_alpha_34S_HSO4-/SO4-2 1 + -mole_balance H[34S](6)O4- H[34S]O4- + DSO4- = D[34S]O4- + HSO4- - -mole_balance D[34S](6)O4 + -mole_balance D[34S](6)O4 H[34S]O4- + TSO4- = T[34S]O4- + HSO4- - -mole_balance T[34S](6)O4- + -mole_balance T[34S](6)O4- # # S-2 reactions # S-2 + H[34S]- = [34S]-2 + HS- - -add_logk Log_alpha_34S_S-2/HS- 1.0 - -mole_balance [34S](-2) - -gamma 5.0000 0.0000 + -add_logk Log_alpha_34S_S-2/HS- 1 + -mole_balance [34S](-2) + -gamma 5 0 # # HS- reactions # HS- + HDO = DS- + H2O - log_k -0.301029995663 # -log10(2) - -add_logk Log_alpha_D_HS-/H2O(l) 1.0 - -mole_balance DS(-2) - -gamma 3.5000 0.0000 + log_k -0.301029995663 # -log10(2) + -add_logk Log_alpha_D_HS-/H2O(l) 1 + -mole_balance DS(-2) + -gamma 3.5 0 HS- + HTO = TS- + H2O - log_k -0.301029995663 # -log10(2) - -add_logk Log_alpha_T_HS-/H2O(l) 1.0 - -mole_balance TS(-2) - -gamma 3.5000 0.0000 + log_k -0.301029995663 # -log10(2) + -add_logk Log_alpha_T_HS-/H2O(l) 1 + -mole_balance TS(-2) + -gamma 3.5 0 HS- + [34S]O4-2 = H[34S]- + SO4-2 - -add_logk Log_alpha_34S_HS-/SO4-2 1.0 - -mole_balance H[34S](-2) - -gamma 3.5000 0.0000 + -add_logk Log_alpha_34S_HS-/SO4-2 1 + -mole_balance H[34S](-2) + -gamma 3.5 0 H[34S]- + DS- = D[34S]- + HS- - -gamma 3.5000 0.0000 - -mole_balance D[34S](-2) + -gamma 3.5 0 + -mole_balance D[34S](-2) H[34S]- + TS- = T[34S]- + HS- - -gamma 3.5000 0.0000 - -mole_balance T[34S](-2) + -gamma 3.5 0 + -mole_balance T[34S](-2) # # H2S reactions # H2S + HDO = HDS + H2O - -add_logk Log_alpha_D_H2S(aq)/H2O(l) 1.0 - -mole_balance HDS(-2) + -add_logk Log_alpha_D_H2S(aq)/H2O(l) 1 + -mole_balance HDS(-2) -2HDS = D2S + H2S - log_k -0.602059991327962396 # -log10(4) - -mole_balance D2S(-2) +2 HDS = D2S + H2S + log_k -0.602059991327962396 # -log10(4) + -mole_balance D2S(-2) H2S + HTO = HTS + H2O - -add_logk Log_alpha_T_H2S(aq)/H2O(l) 1.0 - -mole_balance HTS(-2) + -add_logk Log_alpha_T_H2S(aq)/H2O(l) 1 + -mole_balance HTS(-2) -2HTS = T2S + H2S - log_k -0.602059991327962396 # -log10(4) - -mole_balance T2S(-2) +2 HTS = T2S + H2S + log_k -0.602059991327962396 # -log10(4) + -mole_balance T2S(-2) HDS + HTS = DTS + H2S - log_k -0.301029995663 # log10(1/2) - -mole_balance DTS(-2) + log_k -0.301029995663 # log10(1/2) + -mole_balance DTS(-2) H[34S]- + H2S = H2[34S] + HS- - -add_logk Log_alpha_34S_H2S(aq)/HS- 1.0 - -mole_balance H2[34S](-2) + -add_logk Log_alpha_34S_H2S(aq)/HS- 1 + -mole_balance H2[34S](-2) H2[34S] + HDS = HD[34S] + H2S - -mole_balance HD[34S](-2) + -mole_balance HD[34S](-2) H2[34S] + D2S = D2[34S] + H2S - -mole_balance D2[34S](-2) + -mole_balance D2[34S](-2) H2[34S] + HTS = HT[34S] + H2S - -mole_balance HT[34S](-2) + -mole_balance HT[34S](-2) H2[34S] + T2S = T2[34S] + H2S - -mole_balance T2[34S](-2) + -mole_balance T2[34S](-2) H2[34S] + DTS = DT[34S] + H2S - -mole_balance DT[34S](-2) + -mole_balance DT[34S](-2) # # NO2- reactions # Updated March 20, 2006 @@ -4298,177 +4302,177 @@ H2[34S] + DTS = DT[34S] + H2S # Checked September 19, 2006 # [15N]O3- + NO2- = [15N]O2- + NO3- - -add_logk Log_alpha_15N_NO2-/NO3- 1.0 - -gamma 3.0000 0.0000 + -add_logk Log_alpha_15N_NO2-/NO3- 1 + -gamma 3 0 # # N2 reactions # N2 + [15N]O3- = N[15N] + NO3- - log_k 0.301029995663 # log10(2) - -add_logk Log_alpha_15N_N2(aq)/NO3- 1.0 - -mole_balance [15N](0)N(0) -2N[15N] = [15N]2 + N2 - log_k -0.602059991327962396 # -log10(4) - -mole_balance [15N](0)2 + log_k 0.301029995663 # log10(2) + -add_logk Log_alpha_15N_N2(aq)/NO3- 1 + -mole_balance [15N](0)N(0) +2 N[15N] = [15N]2 + N2 + log_k -0.602059991327962396 # -log10(4) + -mole_balance [15N](0)2 # # NH3 reactions -# +# HDO + NH3 = NH2D + H2O - log_k 0.176091259055 # log10(1.5) - -add_logk Log_alpha_D_NH3(aq)/H2O(l) 1.0 - -2NH2D = NHD2 + NH3 - log_k -0.477121254719 # -log10(3) - -3NH2D = ND3 + 2NH3 - -logk -1.431363764158 # log10(1/27) + log_k 0.176091259055 # log10(1.5) + -add_logk Log_alpha_D_NH3(aq)/H2O(l) 1 + +2 NH2D = NHD2 + NH3 + log_k -0.477121254719 # -log10(3) + +3 NH2D = ND3 + 2 NH3 + -logk -1.431363764158 # log10(1/27) HTO + NH3 = NH2T + H2O - log_k 0.176091259055 # log10(1.5) - -add_logk Log_alpha_T_NH3(aq)/H2O(l) 1.0 + log_k 0.176091259055 # log10(1.5) + -add_logk Log_alpha_T_NH3(aq)/H2O(l) 1 + +2 NH2T = NHT2 + NH3 + log_k -0.477121254719662 # log10(1/3) -2NH2T = NHT2 + NH3 - log_k -0.477121254719662 # log10(1/3) +3 NH2T = NT3 + 2 NH3 + -logk -1.431363764158 # log10(1/27) -3NH2T = NT3 + 2NH3 - -logk -1.431363764158 # log10(1/27) - NHD2 + NH2T = ND2T + NH3 - log_k -0.477121254719 # -log10(3) - + log_k -0.477121254719 # -log10(3) + NH2D + NHT2 = NDT2 + NH3 - log_k -0.477121254719 # -log10(3) - + log_k -0.477121254719 # -log10(3) + # Checked September 19, 2006 - + NH3 + [15N]O3- = [15N]H3 + NO3- - -add_logk Log_alpha_15N_NH3(aq)/NO3- 1.0 - -mole_balance [15N](-3)H3 - + -add_logk Log_alpha_15N_NH3(aq)/NO3- 1 + -mole_balance [15N](-3)H3 + [15N]H3 + NH2D = [15N]H2D + NH3 [15N]H3 + NHD2 = [15N]HD2 + NH3 -[15N]H3 + ND3 = [15N]D3 + NH3 +[15N]H3 + ND3 = [15N]D3 + NH3 [15N]H3 + NH2T = [15N]H2T + NH3 [15N]H3 + NHT2 = [15N]HT2 + NH3 -[15N]H3 + NT3 = [15N]T3 + NH3 +[15N]H3 + NT3 = [15N]T3 + NH3 [15N]H3 + ND2T = [15N]D2T + NH3 [15N]H3 + NDT2 = [15N]DT2 + NH3 -# +# # NH4+ reactions # Updated September 19, 2006 # Checked September 19, 2006 -# +# HDO + NH4+ = NH3D+ + H2O - log_k 0.301029995663 # log10(2) - -add_logk Log_alpha_D_NH4+/H2O(l) 1.0 - -mole_balance N(-3)H3D - -gamma 2.5000 0.0000 - -2NH3D+ = NH2D2+ + NH4+ - log_k -0.42596873227228 # log10(3/8) - -mole_balance N(-3)H2D2 - -gamma 2.5000 0.0000 - -3NH3D+ = NHD3+ + 2NH4+ - log_k -1.20411998265 # log10(1/16) - -mole_balance N(-3)HD3 - -gamma 2.5000 0.0000 - -4NH3D+ = ND4+ + 3NH4+ - log_k -2.408239965311 # log10(1/256) - -mole_balance N(-3)D4 - -gamma 2.5000 0.0000 - + log_k 0.301029995663 # log10(2) + -add_logk Log_alpha_D_NH4+/H2O(l) 1 + -mole_balance N(-3)H3D + -gamma 2.5 0 + +2 NH3D+ = NH2D2+ + NH4+ + log_k -0.42596873227228 # log10(3/8) + -mole_balance N(-3)H2D2 + -gamma 2.5 0 + +3 NH3D+ = NHD3+ + 2 NH4+ + log_k -1.20411998265 # log10(1/16) + -mole_balance N(-3)HD3 + -gamma 2.5 0 + +4 NH3D+ = ND4+ + 3 NH4+ + log_k -2.408239965311 # log10(1/256) + -mole_balance N(-3)D4 + -gamma 2.5 0 + HTO + NH4+ = NH3T+ + H2O - log_k 0.301029995663 # log10(2) - -add_logk Log_alpha_T_NH4+/H2O(l) 1.0 - -mole_balance N(-3)H3T - -gamma 2.5000 0.0000 - -2NH3T+ = NH2T2+ + NH4+ - log_k -0.42596873227228 # log10(3/8) - -mole_balance N(-3)H2T2 - -gamma 2.5000 0.0000 - -3NH3T+ = NHT3+ + 2NH4+ - log_k -1.20411998265 # log10(1/16) - -mole_balance N(-3)HT3 - -gamma 2.5000 0.0000 - -4NH3T+ = NT4+ + 3NH4+ - log_k -2.408239965311 # log10(1/256) - -mole_balance N(-3)T4 - -gamma 2.5000 0.0000 -# + log_k 0.301029995663 # log10(2) + -add_logk Log_alpha_T_NH4+/H2O(l) 1 + -mole_balance N(-3)H3T + -gamma 2.5 0 + +2 NH3T+ = NH2T2+ + NH4+ + log_k -0.42596873227228 # log10(3/8) + -mole_balance N(-3)H2T2 + -gamma 2.5 0 + +3 NH3T+ = NHT3+ + 2 NH4+ + log_k -1.20411998265 # log10(1/16) + -mole_balance N(-3)HT3 + -gamma 2.5 0 + +4 NH3T+ = NT4+ + 3 NH4+ + log_k -2.408239965311 # log10(1/256) + -mole_balance N(-3)T4 + -gamma 2.5 0 +# # Updated September 19, 2006 # Checked September 19, 2006 -# +# NHD3+ + NH3T+ = ND3T+ + NH4+ - log_k -0.602059991327962396 # -log10(4) - -mole_balance N(-3)D3T - -gamma 2.5000 0.0000 - + log_k -0.602059991327962396 # -log10(4) + -mole_balance N(-3)D3T + -gamma 2.5 0 + NH2D2+ + NH2T2+ = ND2T2+ + NH4+ - log_k -0.7781512503836 # -log10(6) - -mole_balance N(-3)D2T2 - -gamma 2.5000 0.0000 - + log_k -0.7781512503836 # -log10(6) + -mole_balance N(-3)D2T2 + -gamma 2.5 0 + NH3D+ + NHT3+ = NDT3+ + NH4+ - log_k -0.602059991327962396 # -log10(4) - -mole_balance N(-3)DT3 - -gamma 2.5000 0.0000 - + log_k -0.602059991327962396 # -log10(4) + -mole_balance N(-3)DT3 + -gamma 2.5 0 + [15N]H3 + NH4+ = [15N]H4+ + NH3 - -add_logk Log_alpha_15N_NH4+/NH3(aq) 1.0 - -mole_balance [15N](-3)H4 - -gamma 2.5000 0.0000 - + -add_logk Log_alpha_15N_NH4+/NH3(aq) 1 + -mole_balance [15N](-3)H4 + -gamma 2.5 0 + [15N]H4+ + NH3D+ = [15N]H3D+ + NH4+ - -mole_balance [15N](-3)H3D - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)H3D + -gamma 2.5 0 + [15N]H4+ + NH2D2+ = [15N]H2D2+ + NH4+ - -mole_balance [15N](-3)H2D2 - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)H2D2 + -gamma 2.5 0 + [15N]H4+ + NHD3+ = [15N]HD3+ + NH4+ - -mole_balance [15N](-3)HD3 - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)HD3 + -gamma 2.5 0 + [15N]H4+ + ND4+ = [15N]D4+ + NH4+ - -mole_balance [15N](-3)D4+ - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)D4+ + -gamma 2.5 0 + [15N]H4+ + NH3T+ = [15N]H3T+ + NH4+ - -mole_balance [15N](-3)H3T - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)H3T + -gamma 2.5 0 + [15N]H4+ + NH2T2+ = [15N]H2T2+ + NH4+ - -mole_balance [15N](-3)H2T2 - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)H2T2 + -gamma 2.5 0 + [15N]H4+ + NHT3+ = [15N]HT3+ + NH4+ - -mole_balance [15N](-3)HT3 - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)HT3 + -gamma 2.5 0 + [15N]H4+ + NT4+ = [15N]T4+ + NH4+ - -mole_balance [15N](-3)T4+ - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)T4+ + -gamma 2.5 0 + [15N]H4+ + ND3T+ = [15N]D3T+ + NH4+ - -mole_balance [15N](-3)D3T - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)D3T + -gamma 2.5 0 + [15N]H4+ + ND2T2+ = [15N]D2T2+ + NH4+ - -mole_balance [15N](-3)D2T2 - -gamma 2.5000 0.0000 - + -mole_balance [15N](-3)D2T2 + -gamma 2.5 0 + [15N]H4+ + NDT3+ = [15N]DT3+ + NH4+ - -mole_balance [15N](-3)DT3 - -gamma 2.5000 0.0000 -# + -mole_balance [15N](-3)DT3 + -gamma 2.5 0 +# # Missing NH4SO4- reactions -# +# # # Missing PO4-2 reactions # @@ -4489,18 +4493,18 @@ HF + HTO = TF + H2O HF2- + HDO = DF2- + H2O HF2- + HTO = TF2- + H2O # -# CaOH reactions +# CaOH reactions # CaOH+ + [18O]H- = Ca[18O]H+ + OH- - -mole_balance Ca[18O]H + -mole_balance Ca[18O]H CaOH+ + OD- = CaOD+ + OH- - -mole_balance CaOD + -mole_balance CaOD CaOH+ + [18O]D- = Ca[18O]D+ + OH- - -mole_balance Ca[18O]D + -mole_balance Ca[18O]D CaOH+ + OT- = CaOT+ + OH- - -mole_balance CaOT+ + -mole_balance CaOT+ CaOH+ + [18O]T- = Ca[18O]T+ + OH- - -mole_balance Ca[18O]T + -mole_balance Ca[18O]T # # CaCO3 reactions # @@ -4519,219 +4523,219 @@ CaCO3 + [14C][18O]3-2 = Ca[14C][18O]3 + CO3-2 # CaHCO3+ reactions # CaHCO3+ + HCO2[18O]- = CaHCO2[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + HCO[18O]O- = CaHCO[18O]O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + HC[18O]O2- = CaHC[18O]O2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + HCO[18O]2- = CaHCO[18O]2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + HC[18O]O[18O]- = CaHC[18O]O[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + HC[18O]2O- = CaHC[18O]2O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + HC[18O]3- = CaHC[18O]3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[13C]O3- = CaH[13C]O3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[13C]O2[18O]- = CaH[13C]O2[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[13C]O[18O]O- = CaH[13C]O[18O]O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[13C][18O]O2- = CaH[13C][18O]O2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[13C]O[18O]2- = CaH[13C]O[18O]2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[13C][18O]O[18O]- = CaH[13C][18O]O[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[13C][18O]2O- = CaH[13C][18O]2O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[13C][18O]3- = CaH[13C][18O]3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[14C]O3- = CaH[14C]O3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[14C]O2[18O]- = CaH[14C]O2[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[14C]O[18O]O- = CaH[14C]O[18O]O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[14C][18O]O2- = CaH[14C][18O]O2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[14C]O[18O]2- = CaH[14C]O[18O]2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[14C][18O]O[18O]- = CaH[14C][18O]O[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[14C][18O]2O- = CaH[14C][18O]2O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + H[14C][18O]3- = CaH[14C][18O]3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 # DCO3- CaHCO3+ + DCO3- = CaDCO3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + DCO2[18O]- = CaDCO2[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + DCO[18O]O- = CaDCO[18O]O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + DC[18O]O2- = CaDC[18O]O2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + DCO[18O]2- = CaDCO[18O]2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + DC[18O]O[18O]- = CaDC[18O]O[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + DC[18O]2O- = CaDC[18O]2O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + DC[18O]3- = CaDC[18O]3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[13C]O3- = CaD[13C]O3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[13C]O2[18O]- = CaD[13C]O2[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[13C]O[18O]O- = CaD[13C]O[18O]O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[13C][18O]O2- = CaD[13C][18O]O2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[13C]O[18O]2- = CaD[13C]O[18O]2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[13C][18O]O[18O]- = CaD[13C][18O]O[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[13C][18O]2O- = CaD[13C][18O]2O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[13C][18O]3- = CaD[13C][18O]3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[14C]O3- = CaD[14C]O3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[14C]O2[18O]- = CaD[14C]O2[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[14C]O[18O]O- = CaD[14C]O[18O]O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[14C][18O]O2- = CaD[14C][18O]O2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[14C]O[18O]2- = CaD[14C]O[18O]2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[14C][18O]O[18O]- = CaD[14C][18O]O[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[14C][18O]2O- = CaD[14C][18O]2O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + D[14C][18O]3- = CaD[14C][18O]3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 # TCO3- CaHCO3+ + TCO3- = CaTCO3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + TCO2[18O]- = CaTCO2[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + TCO[18O]O- = CaTCO[18O]O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + TC[18O]O2- = CaTC[18O]O2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + TCO[18O]2- = CaTCO[18O]2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + TC[18O]O[18O]- = CaTC[18O]O[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + TC[18O]2O- = CaTC[18O]2O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + TC[18O]3- = CaTC[18O]3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[13C]O3- = CaT[13C]O3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[13C]O2[18O]- = CaT[13C]O2[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[13C]O[18O]O- = CaT[13C]O[18O]O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[13C][18O]O2- = CaT[13C][18O]O2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[13C]O[18O]2- = CaT[13C]O[18O]2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[13C][18O]O[18O]- = CaT[13C][18O]O[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[13C][18O]2O- = CaT[13C][18O]2O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[13C][18O]3- = CaT[13C][18O]3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[14C]O3- = CaT[14C]O3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[14C]O2[18O]- = CaT[14C]O2[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[14C]O[18O]O- = CaT[14C]O[18O]O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[14C][18O]O2- = CaT[14C][18O]O2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[14C]O[18O]2- = CaT[14C]O[18O]2+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[14C][18O]O[18O]- = CaT[14C][18O]O[18O]+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[14C][18O]2O- = CaT[14C][18O]2O+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 CaHCO3+ + T[14C][18O]3- = CaT[14C][18O]3+ + HCO3- - -gamma 5.4000 0.0000 + -gamma 5.4 0 # # CaSO4 reactions # @@ -4858,13 +4862,13 @@ MgHCO3+ + T[14C][18O]3- = MgT[14C][18O]3+ + HCO3- MgSO4 + [34S]O4-2 = Mg[34S]O4 + SO4-2 # # Missing MgPO4- reactions -# +# # # Missing MgHPO4 reactions -# +# # # Missing Mg2PO4+ reactions -# +# # # NaOH reactions # @@ -4982,7 +4986,7 @@ KOH + OT- = KOT + OH- KOH + [18O]T- = K[18O]T + OH- # # KSO4- reactions -# +# KSO4- + [34S]O4-2 = K[34S]O4- + SO4-2 # # Added FeOH+ reactions 16Dec09 @@ -5098,171 +5102,171 @@ FeHSO4+ + T[34S]O4- = FeT[34S]O4+ + HSO4- # Added Fe(HS)2 reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Fe(HS)2 + HS- + DS- = FeHSDS + 2HS- -Fe(HS)2 + HS- + TS- = FeHSTS + 2HS- -Fe(HS)2 + HS- + H[34S]- = FeHSH[34S] + 2HS- -Fe(HS)2 + HS- + D[34S]- = FeHSD[34S] + 2HS- -Fe(HS)2 + HS- + T[34S]- = FeHST[34S] + 2HS- -Fe(HS)2 + DS- + HS- = FeDSHS + 2HS- -Fe(HS)2 + DS- + DS- = FeDSDS + 2HS- -Fe(HS)2 + DS- + TS- = FeDSTS + 2HS- -Fe(HS)2 + DS- + H[34S]- = FeDSH[34S] + 2HS- -Fe(HS)2 + DS- + D[34S]- = FeDSD[34S] + 2HS- -Fe(HS)2 + DS- + T[34S]- = FeDST[34S] + 2HS- -Fe(HS)2 + TS- + HS- = FeTSHS + 2HS- -Fe(HS)2 + TS- + DS- = FeTSDS + 2HS- -Fe(HS)2 + TS- + H[34S]- = FeTSH[34S] + 2HS- -Fe(HS)2 + TS- + D[34S]- = FeTSD[34S] + 2HS- -Fe(HS)2 + H[34S]- + HS- = FeH[34S]HS + 2HS- -Fe(HS)2 + H[34S]- + DS- = FeH[34S]DS + 2HS- -Fe(HS)2 + H[34S]- + TS- = FeH[34S]TS + 2HS- -Fe(HS)2 + H[34S]- + H[34S]- = FeH[34S]H[34S] + 2HS- -Fe(HS)2 + H[34S]- + D[34S]- = FeH[34S]D[34S] + 2HS- -Fe(HS)2 + H[34S]- + T[34S]- = FeH[34S]T[34S] + 2HS- -Fe(HS)2 + D[34S]- + HS- = FeD[34S]HS + 2HS- -Fe(HS)2 + D[34S]- + DS- = FeD[34S]DS + 2HS- -Fe(HS)2 + D[34S]- + TS- = FeD[34S]TS + 2HS- -Fe(HS)2 + D[34S]- + H[34S]- = FeD[34S]H[34S] + 2HS- -Fe(HS)2 + D[34S]- + D[34S]- = FeD[34S]D[34S] + 2HS- -Fe(HS)2 + D[34S]- + T[34S]- = FeD[34S]T[34S] + 2HS- -Fe(HS)2 + T[34S]- + HS- = FeT[34S]HS + 2HS- -Fe(HS)2 + T[34S]- + DS- = FeT[34S]DS + 2HS- -Fe(HS)2 + T[34S]- + H[34S]- = FeT[34S]H[34S] + 2HS- -Fe(HS)2 + T[34S]- + D[34S]- = FeT[34S]D[34S] + 2HS- +Fe(HS)2 + HS- + DS- = FeHSDS + 2 HS- +Fe(HS)2 + HS- + TS- = FeHSTS + 2 HS- +Fe(HS)2 + HS- + H[34S]- = FeHSH[34S] + 2 HS- +Fe(HS)2 + HS- + D[34S]- = FeHSD[34S] + 2 HS- +Fe(HS)2 + HS- + T[34S]- = FeHST[34S] + 2 HS- +Fe(HS)2 + DS- + HS- = FeDSHS + 2 HS- +Fe(HS)2 + DS- + DS- = FeDSDS + 2 HS- +Fe(HS)2 + DS- + TS- = FeDSTS + 2 HS- +Fe(HS)2 + DS- + H[34S]- = FeDSH[34S] + 2 HS- +Fe(HS)2 + DS- + D[34S]- = FeDSD[34S] + 2 HS- +Fe(HS)2 + DS- + T[34S]- = FeDST[34S] + 2 HS- +Fe(HS)2 + TS- + HS- = FeTSHS + 2 HS- +Fe(HS)2 + TS- + DS- = FeTSDS + 2 HS- +Fe(HS)2 + TS- + H[34S]- = FeTSH[34S] + 2 HS- +Fe(HS)2 + TS- + D[34S]- = FeTSD[34S] + 2 HS- +Fe(HS)2 + H[34S]- + HS- = FeH[34S]HS + 2 HS- +Fe(HS)2 + H[34S]- + DS- = FeH[34S]DS + 2 HS- +Fe(HS)2 + H[34S]- + TS- = FeH[34S]TS + 2 HS- +Fe(HS)2 + H[34S]- + H[34S]- = FeH[34S]H[34S] + 2 HS- +Fe(HS)2 + H[34S]- + D[34S]- = FeH[34S]D[34S] + 2 HS- +Fe(HS)2 + H[34S]- + T[34S]- = FeH[34S]T[34S] + 2 HS- +Fe(HS)2 + D[34S]- + HS- = FeD[34S]HS + 2 HS- +Fe(HS)2 + D[34S]- + DS- = FeD[34S]DS + 2 HS- +Fe(HS)2 + D[34S]- + TS- = FeD[34S]TS + 2 HS- +Fe(HS)2 + D[34S]- + H[34S]- = FeD[34S]H[34S] + 2 HS- +Fe(HS)2 + D[34S]- + D[34S]- = FeD[34S]D[34S] + 2 HS- +Fe(HS)2 + D[34S]- + T[34S]- = FeD[34S]T[34S] + 2 HS- +Fe(HS)2 + T[34S]- + HS- = FeT[34S]HS + 2 HS- +Fe(HS)2 + T[34S]- + DS- = FeT[34S]DS + 2 HS- +Fe(HS)2 + T[34S]- + H[34S]- = FeT[34S]H[34S] + 2 HS- +Fe(HS)2 + T[34S]- + D[34S]- = FeT[34S]D[34S] + 2 HS- # # Added Fe(HS)3- reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Fe(HS)3- + HS- + HS- + DS- = FeHSHSDS- + 3HS- -Fe(HS)3- + HS- + HS- + TS- = FeHSHSTS- + 3HS- -Fe(HS)3- + HS- + HS- + H[34S]- = FeHSHSH[34S]- + 3HS- -Fe(HS)3- + HS- + HS- + D[34S]- = FeHSHSD[34S]- + 3HS- -Fe(HS)3- + HS- + HS- + T[34S]- = FeHSHST[34S]- + 3HS- -Fe(HS)3- + HS- + DS- + HS- = FeHSDSHS- + 3HS- -Fe(HS)3- + HS- + DS- + DS- = FeHSDSDS- + 3HS- -Fe(HS)3- + HS- + DS- + TS- = FeHSDSTS- + 3HS- -Fe(HS)3- + HS- + DS- + H[34S]- = FeHSDSH[34S]- + 3HS- -Fe(HS)3- + HS- + DS- + D[34S]- = FeHSDSD[34S]- + 3HS- -Fe(HS)3- + HS- + DS- + T[34S]- = FeHSDST[34S]- + 3HS- -Fe(HS)3- + HS- + TS- + HS- = FeHSTSHS- + 3HS- -Fe(HS)3- + HS- + TS- + DS- = FeHSTSDS- + 3HS- -Fe(HS)3- + HS- + TS- + H[34S]- = FeHSTSH[34S]- + 3HS- -Fe(HS)3- + HS- + TS- + D[34S]- = FeHSTSD[34S]- + 3HS- -Fe(HS)3- + HS- + H[34S]- + HS- = FeHSH[34S]HS- + 3HS- -Fe(HS)3- + HS- + H[34S]- + DS- = FeHSH[34S]DS- + 3HS- -Fe(HS)3- + HS- + H[34S]- + TS- = FeHSH[34S]TS- + 3HS- -Fe(HS)3- + HS- + H[34S]- + H[34S]- = FeHSH[34S]H[34S]- + 3HS- -Fe(HS)3- + HS- + H[34S]- + D[34S]- = FeHSH[34S]D[34S]- + 3HS- -Fe(HS)3- + HS- + H[34S]- + T[34S]- = FeHSH[34S]T[34S]- + 3HS- -Fe(HS)3- + HS- + D[34S]- + HS- = FeHSD[34S]HS- + 3HS- -Fe(HS)3- + HS- + D[34S]- + DS- = FeHSD[34S]DS- + 3HS- -Fe(HS)3- + HS- + D[34S]- + TS- = FeHSD[34S]TS- + 3HS- -Fe(HS)3- + HS- + D[34S]- + H[34S]- = FeHSD[34S]H[34S]- + 3HS- -Fe(HS)3- + HS- + D[34S]- + D[34S]- = FeHSD[34S]D[34S]- + 3HS- -Fe(HS)3- + HS- + D[34S]- + T[34S]- = FeHSD[34S]T[34S]- + 3HS- -Fe(HS)3- + HS- + T[34S]- + HS- = FeHST[34S]HS- + 3HS- -Fe(HS)3- + HS- + T[34S]- + DS- = FeHST[34S]DS- + 3HS- -Fe(HS)3- + HS- + T[34S]- + H[34S]- = FeHST[34S]H[34S]- + 3HS- -Fe(HS)3- + HS- + T[34S]- + D[34S]- = FeHST[34S]D[34S]- + 3HS- -Fe(HS)3- + DS- + HS- + HS- = FeDSHSHS- + 3HS- -Fe(HS)3- + DS- + HS- + DS- = FeDSHSDS- + 3HS- -Fe(HS)3- + DS- + HS- + TS- = FeDSHSTS- + 3HS- -Fe(HS)3- + DS- + HS- + H[34S]- = FeDSHSH[34S]- + 3HS- -Fe(HS)3- + DS- + HS- + D[34S]- = FeDSHSD[34S]- + 3HS- -Fe(HS)3- + DS- + HS- + T[34S]- = FeDSHST[34S]- + 3HS- -Fe(HS)3- + DS- + DS- + HS- = FeDSDSHS- + 3HS- -Fe(HS)3- + DS- + DS- + TS- = FeDSDSTS- + 3HS- -Fe(HS)3- + DS- + DS- + H[34S]- = FeDSDSH[34S]- + 3HS- -Fe(HS)3- + DS- + DS- + T[34S]- = FeDSDST[34S]- + 3HS- -Fe(HS)3- + DS- + TS- + HS- = FeDSTSHS- + 3HS- -Fe(HS)3- + DS- + TS- + DS- = FeDSTSDS- + 3HS- -Fe(HS)3- + DS- + TS- + H[34S]- = FeDSTSH[34S]- + 3HS- -Fe(HS)3- + DS- + TS- + D[34S]- = FeDSTSD[34S]- + 3HS- -Fe(HS)3- + DS- + H[34S]- + HS- = FeDSH[34S]HS- + 3HS- -Fe(HS)3- + DS- + H[34S]- + DS- = FeDSH[34S]DS- + 3HS- -Fe(HS)3- + DS- + H[34S]- + TS- = FeDSH[34S]TS- + 3HS- -Fe(HS)3- + DS- + H[34S]- + H[34S]- = FeDSH[34S]H[34S]- + 3HS- -Fe(HS)3- + DS- + H[34S]- + D[34S]- = FeDSH[34S]D[34S]- + 3HS- -Fe(HS)3- + DS- + H[34S]- + T[34S]- = FeDSH[34S]T[34S]- + 3HS- -Fe(HS)3- + DS- + D[34S]- + HS- = FeDSD[34S]HS- + 3HS- -Fe(HS)3- + DS- + D[34S]- + TS- = FeDSD[34S]TS- + 3HS- -Fe(HS)3- + DS- + D[34S]- + H[34S]- = FeDSD[34S]H[34S]- + 3HS- -Fe(HS)3- + DS- + T[34S]- + HS- = FeDST[34S]HS- + 3HS- -Fe(HS)3- + DS- + T[34S]- + DS- = FeDST[34S]DS- + 3HS- -Fe(HS)3- + DS- + T[34S]- + H[34S]- = FeDST[34S]H[34S]- + 3HS- -Fe(HS)3- + TS- + HS- + HS- = FeTSHSHS- + 3HS- -Fe(HS)3- + TS- + HS- + DS- = FeTSHSDS- + 3HS- -Fe(HS)3- + TS- + HS- + H[34S]- = FeTSHSH[34S]- + 3HS- -Fe(HS)3- + TS- + HS- + D[34S]- = FeTSHSD[34S]- + 3HS- -Fe(HS)3- + TS- + DS- + HS- = FeTSDSHS- + 3HS- -Fe(HS)3- + TS- + DS- + DS- = FeTSDSDS- + 3HS- -Fe(HS)3- + TS- + DS- + H[34S]- = FeTSDSH[34S]- + 3HS- -Fe(HS)3- + TS- + DS- + D[34S]- = FeTSDSD[34S]- + 3HS- -Fe(HS)3- + TS- + H[34S]- + HS- = FeTSH[34S]HS- + 3HS- -Fe(HS)3- + TS- + H[34S]- + DS- = FeTSH[34S]DS- + 3HS- -Fe(HS)3- + TS- + H[34S]- + H[34S]- = FeTSH[34S]H[34S]- + 3HS- -Fe(HS)3- + TS- + H[34S]- + D[34S]- = FeTSH[34S]D[34S]- + 3HS- -Fe(HS)3- + TS- + D[34S]- + HS- = FeTSD[34S]HS- + 3HS- -Fe(HS)3- + TS- + D[34S]- + DS- = FeTSD[34S]DS- + 3HS- -Fe(HS)3- + TS- + D[34S]- + H[34S]- = FeTSD[34S]H[34S]- + 3HS- -Fe(HS)3- + H[34S]- + HS- + HS- = FeH[34S]HSHS- + 3HS- -Fe(HS)3- + H[34S]- + HS- + DS- = FeH[34S]HSDS- + 3HS- -Fe(HS)3- + H[34S]- + HS- + TS- = FeH[34S]HSTS- + 3HS- -Fe(HS)3- + H[34S]- + HS- + H[34S]- = FeH[34S]HSH[34S]- + 3HS- -Fe(HS)3- + H[34S]- + HS- + D[34S]- = FeH[34S]HSD[34S]- + 3HS- -Fe(HS)3- + H[34S]- + HS- + T[34S]- = FeH[34S]HST[34S]- + 3HS- -Fe(HS)3- + H[34S]- + DS- + HS- = FeH[34S]DSHS- + 3HS- -Fe(HS)3- + H[34S]- + DS- + DS- = FeH[34S]DSDS- + 3HS- -Fe(HS)3- + H[34S]- + DS- + TS- = FeH[34S]DSTS- + 3HS- -Fe(HS)3- + H[34S]- + DS- + H[34S]- = FeH[34S]DSH[34S]- + 3HS- -Fe(HS)3- + H[34S]- + DS- + D[34S]- = FeH[34S]DSD[34S]- + 3HS- -Fe(HS)3- + H[34S]- + DS- + T[34S]- = FeH[34S]DST[34S]- + 3HS- -Fe(HS)3- + H[34S]- + TS- + HS- = FeH[34S]TSHS- + 3HS- -Fe(HS)3- + H[34S]- + TS- + DS- = FeH[34S]TSDS- + 3HS- -Fe(HS)3- + H[34S]- + TS- + H[34S]- = FeH[34S]TSH[34S]- + 3HS- -Fe(HS)3- + H[34S]- + TS- + D[34S]- = FeH[34S]TSD[34S]- + 3HS- -Fe(HS)3- + H[34S]- + H[34S]- + HS- = FeH[34S]H[34S]HS- + 3HS- -Fe(HS)3- + H[34S]- + H[34S]- + DS- = FeH[34S]H[34S]DS- + 3HS- -Fe(HS)3- + H[34S]- + H[34S]- + TS- = FeH[34S]H[34S]TS- + 3HS- -Fe(HS)3- + H[34S]- + H[34S]- + H[34S]- = FeH[34S]H[34S]H[34S]- + 3HS- -Fe(HS)3- + H[34S]- + H[34S]- + D[34S]- = FeH[34S]H[34S]D[34S]- + 3HS- -Fe(HS)3- + H[34S]- + H[34S]- + T[34S]- = FeH[34S]H[34S]T[34S]- + 3HS- -Fe(HS)3- + H[34S]- + D[34S]- + HS- = FeH[34S]D[34S]HS- + 3HS- -Fe(HS)3- + H[34S]- + D[34S]- + DS- = FeH[34S]D[34S]DS- + 3HS- -Fe(HS)3- + H[34S]- + D[34S]- + TS- = FeH[34S]D[34S]TS- + 3HS- -Fe(HS)3- + H[34S]- + D[34S]- + H[34S]- = FeH[34S]D[34S]H[34S]- + 3HS- -Fe(HS)3- + H[34S]- + T[34S]- + HS- = FeH[34S]T[34S]HS- + 3HS- -Fe(HS)3- + H[34S]- + T[34S]- + DS- = FeH[34S]T[34S]DS- + 3HS- -Fe(HS)3- + H[34S]- + T[34S]- + H[34S]- = FeH[34S]T[34S]H[34S]- + 3HS- -Fe(HS)3- + D[34S]- + HS- + HS- = FeD[34S]HSHS- + 3HS- -Fe(HS)3- + D[34S]- + HS- + DS- = FeD[34S]HSDS- + 3HS- -Fe(HS)3- + D[34S]- + HS- + TS- = FeD[34S]HSTS- + 3HS- -Fe(HS)3- + D[34S]- + HS- + H[34S]- = FeD[34S]HSH[34S]- + 3HS- -Fe(HS)3- + D[34S]- + HS- + D[34S]- = FeD[34S]HSD[34S]- + 3HS- -Fe(HS)3- + D[34S]- + HS- + T[34S]- = FeD[34S]HST[34S]- + 3HS- -Fe(HS)3- + D[34S]- + DS- + HS- = FeD[34S]DSHS- + 3HS- -Fe(HS)3- + D[34S]- + DS- + TS- = FeD[34S]DSTS- + 3HS- -Fe(HS)3- + D[34S]- + DS- + H[34S]- = FeD[34S]DSH[34S]- + 3HS- -Fe(HS)3- + D[34S]- + TS- + HS- = FeD[34S]TSHS- + 3HS- -Fe(HS)3- + D[34S]- + TS- + DS- = FeD[34S]TSDS- + 3HS- -Fe(HS)3- + D[34S]- + TS- + H[34S]- = FeD[34S]TSH[34S]- + 3HS- -Fe(HS)3- + D[34S]- + H[34S]- + HS- = FeD[34S]H[34S]HS- + 3HS- -Fe(HS)3- + D[34S]- + H[34S]- + DS- = FeD[34S]H[34S]DS- + 3HS- -Fe(HS)3- + D[34S]- + H[34S]- + TS- = FeD[34S]H[34S]TS- + 3HS- -Fe(HS)3- + D[34S]- + H[34S]- + H[34S]- = FeD[34S]H[34S]H[34S]- + 3HS- -Fe(HS)3- + D[34S]- + D[34S]- + HS- = FeD[34S]D[34S]HS- + 3HS- -Fe(HS)3- + D[34S]- + T[34S]- + HS- = FeD[34S]T[34S]HS- + 3HS- -Fe(HS)3- + T[34S]- + HS- + HS- = FeT[34S]HSHS- + 3HS- -Fe(HS)3- + T[34S]- + HS- + DS- = FeT[34S]HSDS- + 3HS- -Fe(HS)3- + T[34S]- + HS- + H[34S]- = FeT[34S]HSH[34S]- + 3HS- -Fe(HS)3- + T[34S]- + HS- + D[34S]- = FeT[34S]HSD[34S]- + 3HS- -Fe(HS)3- + T[34S]- + DS- + HS- = FeT[34S]DSHS- + 3HS- -Fe(HS)3- + T[34S]- + DS- + DS- = FeT[34S]DSDS- + 3HS- -Fe(HS)3- + T[34S]- + DS- + H[34S]- = FeT[34S]DSH[34S]- + 3HS- -Fe(HS)3- + T[34S]- + H[34S]- + HS- = FeT[34S]H[34S]HS- + 3HS- -Fe(HS)3- + T[34S]- + H[34S]- + DS- = FeT[34S]H[34S]DS- + 3HS- -Fe(HS)3- + T[34S]- + H[34S]- + H[34S]- = FeT[34S]H[34S]H[34S]- + 3HS- -Fe(HS)3- + T[34S]- + D[34S]- + HS- = FeT[34S]D[34S]HS- + 3HS- +Fe(HS)3- + HS- + HS- + DS- = FeHSHSDS- + 3 HS- +Fe(HS)3- + HS- + HS- + TS- = FeHSHSTS- + 3 HS- +Fe(HS)3- + HS- + HS- + H[34S]- = FeHSHSH[34S]- + 3 HS- +Fe(HS)3- + HS- + HS- + D[34S]- = FeHSHSD[34S]- + 3 HS- +Fe(HS)3- + HS- + HS- + T[34S]- = FeHSHST[34S]- + 3 HS- +Fe(HS)3- + HS- + DS- + HS- = FeHSDSHS- + 3 HS- +Fe(HS)3- + HS- + DS- + DS- = FeHSDSDS- + 3 HS- +Fe(HS)3- + HS- + DS- + TS- = FeHSDSTS- + 3 HS- +Fe(HS)3- + HS- + DS- + H[34S]- = FeHSDSH[34S]- + 3 HS- +Fe(HS)3- + HS- + DS- + D[34S]- = FeHSDSD[34S]- + 3 HS- +Fe(HS)3- + HS- + DS- + T[34S]- = FeHSDST[34S]- + 3 HS- +Fe(HS)3- + HS- + TS- + HS- = FeHSTSHS- + 3 HS- +Fe(HS)3- + HS- + TS- + DS- = FeHSTSDS- + 3 HS- +Fe(HS)3- + HS- + TS- + H[34S]- = FeHSTSH[34S]- + 3 HS- +Fe(HS)3- + HS- + TS- + D[34S]- = FeHSTSD[34S]- + 3 HS- +Fe(HS)3- + HS- + H[34S]- + HS- = FeHSH[34S]HS- + 3 HS- +Fe(HS)3- + HS- + H[34S]- + DS- = FeHSH[34S]DS- + 3 HS- +Fe(HS)3- + HS- + H[34S]- + TS- = FeHSH[34S]TS- + 3 HS- +Fe(HS)3- + HS- + H[34S]- + H[34S]- = FeHSH[34S]H[34S]- + 3 HS- +Fe(HS)3- + HS- + H[34S]- + D[34S]- = FeHSH[34S]D[34S]- + 3 HS- +Fe(HS)3- + HS- + H[34S]- + T[34S]- = FeHSH[34S]T[34S]- + 3 HS- +Fe(HS)3- + HS- + D[34S]- + HS- = FeHSD[34S]HS- + 3 HS- +Fe(HS)3- + HS- + D[34S]- + DS- = FeHSD[34S]DS- + 3 HS- +Fe(HS)3- + HS- + D[34S]- + TS- = FeHSD[34S]TS- + 3 HS- +Fe(HS)3- + HS- + D[34S]- + H[34S]- = FeHSD[34S]H[34S]- + 3 HS- +Fe(HS)3- + HS- + D[34S]- + D[34S]- = FeHSD[34S]D[34S]- + 3 HS- +Fe(HS)3- + HS- + D[34S]- + T[34S]- = FeHSD[34S]T[34S]- + 3 HS- +Fe(HS)3- + HS- + T[34S]- + HS- = FeHST[34S]HS- + 3 HS- +Fe(HS)3- + HS- + T[34S]- + DS- = FeHST[34S]DS- + 3 HS- +Fe(HS)3- + HS- + T[34S]- + H[34S]- = FeHST[34S]H[34S]- + 3 HS- +Fe(HS)3- + HS- + T[34S]- + D[34S]- = FeHST[34S]D[34S]- + 3 HS- +Fe(HS)3- + DS- + HS- + HS- = FeDSHSHS- + 3 HS- +Fe(HS)3- + DS- + HS- + DS- = FeDSHSDS- + 3 HS- +Fe(HS)3- + DS- + HS- + TS- = FeDSHSTS- + 3 HS- +Fe(HS)3- + DS- + HS- + H[34S]- = FeDSHSH[34S]- + 3 HS- +Fe(HS)3- + DS- + HS- + D[34S]- = FeDSHSD[34S]- + 3 HS- +Fe(HS)3- + DS- + HS- + T[34S]- = FeDSHST[34S]- + 3 HS- +Fe(HS)3- + DS- + DS- + HS- = FeDSDSHS- + 3 HS- +Fe(HS)3- + DS- + DS- + TS- = FeDSDSTS- + 3 HS- +Fe(HS)3- + DS- + DS- + H[34S]- = FeDSDSH[34S]- + 3 HS- +Fe(HS)3- + DS- + DS- + T[34S]- = FeDSDST[34S]- + 3 HS- +Fe(HS)3- + DS- + TS- + HS- = FeDSTSHS- + 3 HS- +Fe(HS)3- + DS- + TS- + DS- = FeDSTSDS- + 3 HS- +Fe(HS)3- + DS- + TS- + H[34S]- = FeDSTSH[34S]- + 3 HS- +Fe(HS)3- + DS- + TS- + D[34S]- = FeDSTSD[34S]- + 3 HS- +Fe(HS)3- + DS- + H[34S]- + HS- = FeDSH[34S]HS- + 3 HS- +Fe(HS)3- + DS- + H[34S]- + DS- = FeDSH[34S]DS- + 3 HS- +Fe(HS)3- + DS- + H[34S]- + TS- = FeDSH[34S]TS- + 3 HS- +Fe(HS)3- + DS- + H[34S]- + H[34S]- = FeDSH[34S]H[34S]- + 3 HS- +Fe(HS)3- + DS- + H[34S]- + D[34S]- = FeDSH[34S]D[34S]- + 3 HS- +Fe(HS)3- + DS- + H[34S]- + T[34S]- = FeDSH[34S]T[34S]- + 3 HS- +Fe(HS)3- + DS- + D[34S]- + HS- = FeDSD[34S]HS- + 3 HS- +Fe(HS)3- + DS- + D[34S]- + TS- = FeDSD[34S]TS- + 3 HS- +Fe(HS)3- + DS- + D[34S]- + H[34S]- = FeDSD[34S]H[34S]- + 3 HS- +Fe(HS)3- + DS- + T[34S]- + HS- = FeDST[34S]HS- + 3 HS- +Fe(HS)3- + DS- + T[34S]- + DS- = FeDST[34S]DS- + 3 HS- +Fe(HS)3- + DS- + T[34S]- + H[34S]- = FeDST[34S]H[34S]- + 3 HS- +Fe(HS)3- + TS- + HS- + HS- = FeTSHSHS- + 3 HS- +Fe(HS)3- + TS- + HS- + DS- = FeTSHSDS- + 3 HS- +Fe(HS)3- + TS- + HS- + H[34S]- = FeTSHSH[34S]- + 3 HS- +Fe(HS)3- + TS- + HS- + D[34S]- = FeTSHSD[34S]- + 3 HS- +Fe(HS)3- + TS- + DS- + HS- = FeTSDSHS- + 3 HS- +Fe(HS)3- + TS- + DS- + DS- = FeTSDSDS- + 3 HS- +Fe(HS)3- + TS- + DS- + H[34S]- = FeTSDSH[34S]- + 3 HS- +Fe(HS)3- + TS- + DS- + D[34S]- = FeTSDSD[34S]- + 3 HS- +Fe(HS)3- + TS- + H[34S]- + HS- = FeTSH[34S]HS- + 3 HS- +Fe(HS)3- + TS- + H[34S]- + DS- = FeTSH[34S]DS- + 3 HS- +Fe(HS)3- + TS- + H[34S]- + H[34S]- = FeTSH[34S]H[34S]- + 3 HS- +Fe(HS)3- + TS- + H[34S]- + D[34S]- = FeTSH[34S]D[34S]- + 3 HS- +Fe(HS)3- + TS- + D[34S]- + HS- = FeTSD[34S]HS- + 3 HS- +Fe(HS)3- + TS- + D[34S]- + DS- = FeTSD[34S]DS- + 3 HS- +Fe(HS)3- + TS- + D[34S]- + H[34S]- = FeTSD[34S]H[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + HS- + HS- = FeH[34S]HSHS- + 3 HS- +Fe(HS)3- + H[34S]- + HS- + DS- = FeH[34S]HSDS- + 3 HS- +Fe(HS)3- + H[34S]- + HS- + TS- = FeH[34S]HSTS- + 3 HS- +Fe(HS)3- + H[34S]- + HS- + H[34S]- = FeH[34S]HSH[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + HS- + D[34S]- = FeH[34S]HSD[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + HS- + T[34S]- = FeH[34S]HST[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + DS- + HS- = FeH[34S]DSHS- + 3 HS- +Fe(HS)3- + H[34S]- + DS- + DS- = FeH[34S]DSDS- + 3 HS- +Fe(HS)3- + H[34S]- + DS- + TS- = FeH[34S]DSTS- + 3 HS- +Fe(HS)3- + H[34S]- + DS- + H[34S]- = FeH[34S]DSH[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + DS- + D[34S]- = FeH[34S]DSD[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + DS- + T[34S]- = FeH[34S]DST[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + TS- + HS- = FeH[34S]TSHS- + 3 HS- +Fe(HS)3- + H[34S]- + TS- + DS- = FeH[34S]TSDS- + 3 HS- +Fe(HS)3- + H[34S]- + TS- + H[34S]- = FeH[34S]TSH[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + TS- + D[34S]- = FeH[34S]TSD[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + H[34S]- + HS- = FeH[34S]H[34S]HS- + 3 HS- +Fe(HS)3- + H[34S]- + H[34S]- + DS- = FeH[34S]H[34S]DS- + 3 HS- +Fe(HS)3- + H[34S]- + H[34S]- + TS- = FeH[34S]H[34S]TS- + 3 HS- +Fe(HS)3- + H[34S]- + H[34S]- + H[34S]- = FeH[34S]H[34S]H[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + H[34S]- + D[34S]- = FeH[34S]H[34S]D[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + H[34S]- + T[34S]- = FeH[34S]H[34S]T[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + D[34S]- + HS- = FeH[34S]D[34S]HS- + 3 HS- +Fe(HS)3- + H[34S]- + D[34S]- + DS- = FeH[34S]D[34S]DS- + 3 HS- +Fe(HS)3- + H[34S]- + D[34S]- + TS- = FeH[34S]D[34S]TS- + 3 HS- +Fe(HS)3- + H[34S]- + D[34S]- + H[34S]- = FeH[34S]D[34S]H[34S]- + 3 HS- +Fe(HS)3- + H[34S]- + T[34S]- + HS- = FeH[34S]T[34S]HS- + 3 HS- +Fe(HS)3- + H[34S]- + T[34S]- + DS- = FeH[34S]T[34S]DS- + 3 HS- +Fe(HS)3- + H[34S]- + T[34S]- + H[34S]- = FeH[34S]T[34S]H[34S]- + 3 HS- +Fe(HS)3- + D[34S]- + HS- + HS- = FeD[34S]HSHS- + 3 HS- +Fe(HS)3- + D[34S]- + HS- + DS- = FeD[34S]HSDS- + 3 HS- +Fe(HS)3- + D[34S]- + HS- + TS- = FeD[34S]HSTS- + 3 HS- +Fe(HS)3- + D[34S]- + HS- + H[34S]- = FeD[34S]HSH[34S]- + 3 HS- +Fe(HS)3- + D[34S]- + HS- + D[34S]- = FeD[34S]HSD[34S]- + 3 HS- +Fe(HS)3- + D[34S]- + HS- + T[34S]- = FeD[34S]HST[34S]- + 3 HS- +Fe(HS)3- + D[34S]- + DS- + HS- = FeD[34S]DSHS- + 3 HS- +Fe(HS)3- + D[34S]- + DS- + TS- = FeD[34S]DSTS- + 3 HS- +Fe(HS)3- + D[34S]- + DS- + H[34S]- = FeD[34S]DSH[34S]- + 3 HS- +Fe(HS)3- + D[34S]- + TS- + HS- = FeD[34S]TSHS- + 3 HS- +Fe(HS)3- + D[34S]- + TS- + DS- = FeD[34S]TSDS- + 3 HS- +Fe(HS)3- + D[34S]- + TS- + H[34S]- = FeD[34S]TSH[34S]- + 3 HS- +Fe(HS)3- + D[34S]- + H[34S]- + HS- = FeD[34S]H[34S]HS- + 3 HS- +Fe(HS)3- + D[34S]- + H[34S]- + DS- = FeD[34S]H[34S]DS- + 3 HS- +Fe(HS)3- + D[34S]- + H[34S]- + TS- = FeD[34S]H[34S]TS- + 3 HS- +Fe(HS)3- + D[34S]- + H[34S]- + H[34S]- = FeD[34S]H[34S]H[34S]- + 3 HS- +Fe(HS)3- + D[34S]- + D[34S]- + HS- = FeD[34S]D[34S]HS- + 3 HS- +Fe(HS)3- + D[34S]- + T[34S]- + HS- = FeD[34S]T[34S]HS- + 3 HS- +Fe(HS)3- + T[34S]- + HS- + HS- = FeT[34S]HSHS- + 3 HS- +Fe(HS)3- + T[34S]- + HS- + DS- = FeT[34S]HSDS- + 3 HS- +Fe(HS)3- + T[34S]- + HS- + H[34S]- = FeT[34S]HSH[34S]- + 3 HS- +Fe(HS)3- + T[34S]- + HS- + D[34S]- = FeT[34S]HSD[34S]- + 3 HS- +Fe(HS)3- + T[34S]- + DS- + HS- = FeT[34S]DSHS- + 3 HS- +Fe(HS)3- + T[34S]- + DS- + DS- = FeT[34S]DSDS- + 3 HS- +Fe(HS)3- + T[34S]- + DS- + H[34S]- = FeT[34S]DSH[34S]- + 3 HS- +Fe(HS)3- + T[34S]- + H[34S]- + HS- = FeT[34S]H[34S]HS- + 3 HS- +Fe(HS)3- + T[34S]- + H[34S]- + DS- = FeT[34S]H[34S]DS- + 3 HS- +Fe(HS)3- + T[34S]- + H[34S]- + H[34S]- = FeT[34S]H[34S]H[34S]- + 3 HS- +Fe(HS)3- + T[34S]- + D[34S]- + HS- = FeT[34S]D[34S]HS- + 3 HS- # # Missing FeHPO4 reactions # @@ -5281,919 +5285,919 @@ FeOH+2 + [18O]T- = Fe[18O]T+2 + OH- # Added Fe(OH)2+ reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Fe(OH)2+ + OH- + OD- = FeOHOD+ + 2OH- -Fe(OH)2+ + OH- + OT- = FeOHOT+ + 2OH- -Fe(OH)2+ + OH- + [18O]H- = FeOH[18O]H+ + 2OH- -Fe(OH)2+ + OH- + [18O]D- = FeOH[18O]D+ + 2OH- -Fe(OH)2+ + OH- + [18O]T- = FeOH[18O]T+ + 2OH- -Fe(OH)2+ + OD- + OH- = FeODOH+ + 2OH- -Fe(OH)2+ + OD- + OD- = FeODOD+ + 2OH- -Fe(OH)2+ + OD- + OT- = FeODOT+ + 2OH- -Fe(OH)2+ + OD- + [18O]H- = FeOD[18O]H+ + 2OH- -Fe(OH)2+ + OD- + [18O]D- = FeOD[18O]D+ + 2OH- -Fe(OH)2+ + OD- + [18O]T- = FeOD[18O]T+ + 2OH- -Fe(OH)2+ + OT- + OH- = FeOTOH+ + 2OH- -Fe(OH)2+ + OT- + OD- = FeOTOD+ + 2OH- -Fe(OH)2+ + OT- + [18O]H- = FeOT[18O]H+ + 2OH- -Fe(OH)2+ + OT- + [18O]D- = FeOT[18O]D+ + 2OH- -Fe(OH)2+ + [18O]H- + OH- = Fe[18O]HOH+ + 2OH- -Fe(OH)2+ + [18O]H- + OD- = Fe[18O]HOD+ + 2OH- -Fe(OH)2+ + [18O]H- + OT- = Fe[18O]HOT+ + 2OH- -Fe(OH)2+ + [18O]H- + [18O]H- = Fe[18O]H[18O]H+ + 2OH- -Fe(OH)2+ + [18O]H- + [18O]D- = Fe[18O]H[18O]D+ + 2OH- -Fe(OH)2+ + [18O]H- + [18O]T- = Fe[18O]H[18O]T+ + 2OH- -Fe(OH)2+ + [18O]D- + OH- = Fe[18O]DOH+ + 2OH- -Fe(OH)2+ + [18O]D- + OD- = Fe[18O]DOD+ + 2OH- -Fe(OH)2+ + [18O]D- + OT- = Fe[18O]DOT+ + 2OH- -Fe(OH)2+ + [18O]D- + [18O]H- = Fe[18O]D[18O]H+ + 2OH- -Fe(OH)2+ + [18O]D- + [18O]D- = Fe[18O]D[18O]D+ + 2OH- -Fe(OH)2+ + [18O]D- + [18O]T- = Fe[18O]D[18O]T+ + 2OH- -Fe(OH)2+ + [18O]T- + OH- = Fe[18O]TOH+ + 2OH- -Fe(OH)2+ + [18O]T- + OD- = Fe[18O]TOD+ + 2OH- -Fe(OH)2+ + [18O]T- + [18O]H- = Fe[18O]T[18O]H+ + 2OH- -Fe(OH)2+ + [18O]T- + [18O]D- = Fe[18O]T[18O]D+ + 2OH- +Fe(OH)2+ + OH- + OD- = FeOHOD+ + 2 OH- +Fe(OH)2+ + OH- + OT- = FeOHOT+ + 2 OH- +Fe(OH)2+ + OH- + [18O]H- = FeOH[18O]H+ + 2 OH- +Fe(OH)2+ + OH- + [18O]D- = FeOH[18O]D+ + 2 OH- +Fe(OH)2+ + OH- + [18O]T- = FeOH[18O]T+ + 2 OH- +Fe(OH)2+ + OD- + OH- = FeODOH+ + 2 OH- +Fe(OH)2+ + OD- + OD- = FeODOD+ + 2 OH- +Fe(OH)2+ + OD- + OT- = FeODOT+ + 2 OH- +Fe(OH)2+ + OD- + [18O]H- = FeOD[18O]H+ + 2 OH- +Fe(OH)2+ + OD- + [18O]D- = FeOD[18O]D+ + 2 OH- +Fe(OH)2+ + OD- + [18O]T- = FeOD[18O]T+ + 2 OH- +Fe(OH)2+ + OT- + OH- = FeOTOH+ + 2 OH- +Fe(OH)2+ + OT- + OD- = FeOTOD+ + 2 OH- +Fe(OH)2+ + OT- + [18O]H- = FeOT[18O]H+ + 2 OH- +Fe(OH)2+ + OT- + [18O]D- = FeOT[18O]D+ + 2 OH- +Fe(OH)2+ + [18O]H- + OH- = Fe[18O]HOH+ + 2 OH- +Fe(OH)2+ + [18O]H- + OD- = Fe[18O]HOD+ + 2 OH- +Fe(OH)2+ + [18O]H- + OT- = Fe[18O]HOT+ + 2 OH- +Fe(OH)2+ + [18O]H- + [18O]H- = Fe[18O]H[18O]H+ + 2 OH- +Fe(OH)2+ + [18O]H- + [18O]D- = Fe[18O]H[18O]D+ + 2 OH- +Fe(OH)2+ + [18O]H- + [18O]T- = Fe[18O]H[18O]T+ + 2 OH- +Fe(OH)2+ + [18O]D- + OH- = Fe[18O]DOH+ + 2 OH- +Fe(OH)2+ + [18O]D- + OD- = Fe[18O]DOD+ + 2 OH- +Fe(OH)2+ + [18O]D- + OT- = Fe[18O]DOT+ + 2 OH- +Fe(OH)2+ + [18O]D- + [18O]H- = Fe[18O]D[18O]H+ + 2 OH- +Fe(OH)2+ + [18O]D- + [18O]D- = Fe[18O]D[18O]D+ + 2 OH- +Fe(OH)2+ + [18O]D- + [18O]T- = Fe[18O]D[18O]T+ + 2 OH- +Fe(OH)2+ + [18O]T- + OH- = Fe[18O]TOH+ + 2 OH- +Fe(OH)2+ + [18O]T- + OD- = Fe[18O]TOD+ + 2 OH- +Fe(OH)2+ + [18O]T- + [18O]H- = Fe[18O]T[18O]H+ + 2 OH- +Fe(OH)2+ + [18O]T- + [18O]D- = Fe[18O]T[18O]D+ + 2 OH- # # Added Fe(OH)3 reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Fe(OH)3 + OH- + OH- + OD- = FeOHOHOD + 3OH- -Fe(OH)3 + OH- + OH- + OT- = FeOHOHOT + 3OH- -Fe(OH)3 + OH- + OH- + [18O]H- = FeOHOH[18O]H + 3OH- -Fe(OH)3 + OH- + OH- + [18O]D- = FeOHOH[18O]D + 3OH- -Fe(OH)3 + OH- + OH- + [18O]T- = FeOHOH[18O]T + 3OH- -Fe(OH)3 + OH- + OD- + OH- = FeOHODOH + 3OH- -Fe(OH)3 + OH- + OD- + OD- = FeOHODOD + 3OH- -Fe(OH)3 + OH- + OD- + OT- = FeOHODOT + 3OH- -Fe(OH)3 + OH- + OD- + [18O]H- = FeOHOD[18O]H + 3OH- -Fe(OH)3 + OH- + OD- + [18O]D- = FeOHOD[18O]D + 3OH- -Fe(OH)3 + OH- + OD- + [18O]T- = FeOHOD[18O]T + 3OH- -Fe(OH)3 + OH- + OT- + OH- = FeOHOTOH + 3OH- -Fe(OH)3 + OH- + OT- + OD- = FeOHOTOD + 3OH- -Fe(OH)3 + OH- + OT- + [18O]H- = FeOHOT[18O]H + 3OH- -Fe(OH)3 + OH- + OT- + [18O]D- = FeOHOT[18O]D + 3OH- -Fe(OH)3 + OH- + [18O]H- + OH- = FeOH[18O]HOH + 3OH- -Fe(OH)3 + OH- + [18O]H- + OD- = FeOH[18O]HOD + 3OH- -Fe(OH)3 + OH- + [18O]H- + OT- = FeOH[18O]HOT + 3OH- -Fe(OH)3 + OH- + [18O]H- + [18O]H- = FeOH[18O]H[18O]H + 3OH- -Fe(OH)3 + OH- + [18O]H- + [18O]D- = FeOH[18O]H[18O]D + 3OH- -Fe(OH)3 + OH- + [18O]H- + [18O]T- = FeOH[18O]H[18O]T + 3OH- -Fe(OH)3 + OH- + [18O]D- + OH- = FeOH[18O]DOH + 3OH- -Fe(OH)3 + OH- + [18O]D- + OD- = FeOH[18O]DOD + 3OH- -Fe(OH)3 + OH- + [18O]D- + OT- = FeOH[18O]DOT + 3OH- -Fe(OH)3 + OH- + [18O]D- + [18O]H- = FeOH[18O]D[18O]H + 3OH- -Fe(OH)3 + OH- + [18O]D- + [18O]D- = FeOH[18O]D[18O]D + 3OH- -Fe(OH)3 + OH- + [18O]D- + [18O]T- = FeOH[18O]D[18O]T + 3OH- -Fe(OH)3 + OH- + [18O]T- + OH- = FeOH[18O]TOH + 3OH- -Fe(OH)3 + OH- + [18O]T- + OD- = FeOH[18O]TOD + 3OH- -Fe(OH)3 + OH- + [18O]T- + [18O]H- = FeOH[18O]T[18O]H + 3OH- -Fe(OH)3 + OH- + [18O]T- + [18O]D- = FeOH[18O]T[18O]D + 3OH- -Fe(OH)3 + OD- + OH- + OH- = FeODOHOH + 3OH- -Fe(OH)3 + OD- + OH- + OD- = FeODOHOD + 3OH- -Fe(OH)3 + OD- + OH- + OT- = FeODOHOT + 3OH- -Fe(OH)3 + OD- + OH- + [18O]H- = FeODOH[18O]H + 3OH- -Fe(OH)3 + OD- + OH- + [18O]D- = FeODOH[18O]D + 3OH- -Fe(OH)3 + OD- + OH- + [18O]T- = FeODOH[18O]T + 3OH- -Fe(OH)3 + OD- + OD- + OH- = FeODODOH + 3OH- -Fe(OH)3 + OD- + OD- + OT- = FeODODOT + 3OH- -Fe(OH)3 + OD- + OD- + [18O]H- = FeODOD[18O]H + 3OH- -Fe(OH)3 + OD- + OD- + [18O]T- = FeODOD[18O]T + 3OH- -Fe(OH)3 + OD- + OT- + OH- = FeODOTOH + 3OH- -Fe(OH)3 + OD- + OT- + OD- = FeODOTOD + 3OH- -Fe(OH)3 + OD- + OT- + [18O]H- = FeODOT[18O]H + 3OH- -Fe(OH)3 + OD- + OT- + [18O]D- = FeODOT[18O]D + 3OH- -Fe(OH)3 + OD- + [18O]H- + OH- = FeOD[18O]HOH + 3OH- -Fe(OH)3 + OD- + [18O]H- + OD- = FeOD[18O]HOD + 3OH- -Fe(OH)3 + OD- + [18O]H- + OT- = FeOD[18O]HOT + 3OH- -Fe(OH)3 + OD- + [18O]H- + [18O]H- = FeOD[18O]H[18O]H + 3OH- -Fe(OH)3 + OD- + [18O]H- + [18O]D- = FeOD[18O]H[18O]D + 3OH- -Fe(OH)3 + OD- + [18O]H- + [18O]T- = FeOD[18O]H[18O]T + 3OH- -Fe(OH)3 + OD- + [18O]D- + OH- = FeOD[18O]DOH + 3OH- -Fe(OH)3 + OD- + [18O]D- + OT- = FeOD[18O]DOT + 3OH- -Fe(OH)3 + OD- + [18O]D- + [18O]H- = FeOD[18O]D[18O]H + 3OH- -Fe(OH)3 + OD- + [18O]T- + OH- = FeOD[18O]TOH + 3OH- -Fe(OH)3 + OD- + [18O]T- + OD- = FeOD[18O]TOD + 3OH- -Fe(OH)3 + OD- + [18O]T- + [18O]H- = FeOD[18O]T[18O]H + 3OH- -Fe(OH)3 + OT- + OH- + OH- = FeOTOHOH + 3OH- -Fe(OH)3 + OT- + OH- + OD- = FeOTOHOD + 3OH- -Fe(OH)3 + OT- + OH- + [18O]H- = FeOTOH[18O]H + 3OH- -Fe(OH)3 + OT- + OH- + [18O]D- = FeOTOH[18O]D + 3OH- -Fe(OH)3 + OT- + OD- + OH- = FeOTODOH + 3OH- -Fe(OH)3 + OT- + OD- + OD- = FeOTODOD + 3OH- -Fe(OH)3 + OT- + OD- + [18O]H- = FeOTOD[18O]H + 3OH- -Fe(OH)3 + OT- + OD- + [18O]D- = FeOTOD[18O]D + 3OH- -Fe(OH)3 + OT- + [18O]H- + OH- = FeOT[18O]HOH + 3OH- -Fe(OH)3 + OT- + [18O]H- + OD- = FeOT[18O]HOD + 3OH- -Fe(OH)3 + OT- + [18O]H- + [18O]H- = FeOT[18O]H[18O]H + 3OH- -Fe(OH)3 + OT- + [18O]H- + [18O]D- = FeOT[18O]H[18O]D + 3OH- -Fe(OH)3 + OT- + [18O]D- + OH- = FeOT[18O]DOH + 3OH- -Fe(OH)3 + OT- + [18O]D- + OD- = FeOT[18O]DOD + 3OH- -Fe(OH)3 + OT- + [18O]D- + [18O]H- = FeOT[18O]D[18O]H + 3OH- -Fe(OH)3 + [18O]H- + OH- + OH- = Fe[18O]HOHOH + 3OH- -Fe(OH)3 + [18O]H- + OH- + OD- = Fe[18O]HOHOD + 3OH- -Fe(OH)3 + [18O]H- + OH- + OT- = Fe[18O]HOHOT + 3OH- -Fe(OH)3 + [18O]H- + OH- + [18O]H- = Fe[18O]HOH[18O]H + 3OH- -Fe(OH)3 + [18O]H- + OH- + [18O]D- = Fe[18O]HOH[18O]D + 3OH- -Fe(OH)3 + [18O]H- + OH- + [18O]T- = Fe[18O]HOH[18O]T + 3OH- -Fe(OH)3 + [18O]H- + OD- + OH- = Fe[18O]HODOH + 3OH- -Fe(OH)3 + [18O]H- + OD- + OD- = Fe[18O]HODOD + 3OH- -Fe(OH)3 + [18O]H- + OD- + OT- = Fe[18O]HODOT + 3OH- -Fe(OH)3 + [18O]H- + OD- + [18O]H- = Fe[18O]HOD[18O]H + 3OH- -Fe(OH)3 + [18O]H- + OD- + [18O]D- = Fe[18O]HOD[18O]D + 3OH- -Fe(OH)3 + [18O]H- + OD- + [18O]T- = Fe[18O]HOD[18O]T + 3OH- -Fe(OH)3 + [18O]H- + OT- + OH- = Fe[18O]HOTOH + 3OH- -Fe(OH)3 + [18O]H- + OT- + OD- = Fe[18O]HOTOD + 3OH- -Fe(OH)3 + [18O]H- + OT- + [18O]H- = Fe[18O]HOT[18O]H + 3OH- -Fe(OH)3 + [18O]H- + OT- + [18O]D- = Fe[18O]HOT[18O]D + 3OH- -Fe(OH)3 + [18O]H- + [18O]H- + OH- = Fe[18O]H[18O]HOH + 3OH- -Fe(OH)3 + [18O]H- + [18O]H- + OD- = Fe[18O]H[18O]HOD + 3OH- -Fe(OH)3 + [18O]H- + [18O]H- + OT- = Fe[18O]H[18O]HOT + 3OH- -Fe(OH)3 + [18O]H- + [18O]D- + OH- = Fe[18O]H[18O]DOH + 3OH- -Fe(OH)3 + [18O]H- + [18O]D- + OD- = Fe[18O]H[18O]DOD + 3OH- -Fe(OH)3 + [18O]H- + [18O]D- + OT- = Fe[18O]H[18O]DOT + 3OH- -Fe(OH)3 + [18O]H- + [18O]T- + OH- = Fe[18O]H[18O]TOH + 3OH- -Fe(OH)3 + [18O]H- + [18O]T- + OD- = Fe[18O]H[18O]TOD + 3OH- -Fe(OH)3 + [18O]D- + OH- + OH- = Fe[18O]DOHOH + 3OH- -Fe(OH)3 + [18O]D- + OH- + OD- = Fe[18O]DOHOD + 3OH- -Fe(OH)3 + [18O]D- + OH- + OT- = Fe[18O]DOHOT + 3OH- -Fe(OH)3 + [18O]D- + OH- + [18O]H- = Fe[18O]DOH[18O]H + 3OH- -Fe(OH)3 + [18O]D- + OH- + [18O]D- = Fe[18O]DOH[18O]D + 3OH- -Fe(OH)3 + [18O]D- + OH- + [18O]T- = Fe[18O]DOH[18O]T + 3OH- -Fe(OH)3 + [18O]D- + OD- + OH- = Fe[18O]DODOH + 3OH- -Fe(OH)3 + [18O]D- + OD- + OT- = Fe[18O]DODOT + 3OH- -Fe(OH)3 + [18O]D- + OD- + [18O]H- = Fe[18O]DOD[18O]H + 3OH- -Fe(OH)3 + [18O]D- + OT- + OH- = Fe[18O]DOTOH + 3OH- -Fe(OH)3 + [18O]D- + OT- + OD- = Fe[18O]DOTOD + 3OH- -Fe(OH)3 + [18O]D- + OT- + [18O]H- = Fe[18O]DOT[18O]H + 3OH- -Fe(OH)3 + [18O]D- + [18O]H- + OH- = Fe[18O]D[18O]HOH + 3OH- -Fe(OH)3 + [18O]D- + [18O]H- + OD- = Fe[18O]D[18O]HOD + 3OH- -Fe(OH)3 + [18O]D- + [18O]H- + OT- = Fe[18O]D[18O]HOT + 3OH- -Fe(OH)3 + [18O]D- + [18O]D- + OH- = Fe[18O]D[18O]DOH + 3OH- -Fe(OH)3 + [18O]D- + [18O]T- + OH- = Fe[18O]D[18O]TOH + 3OH- -Fe(OH)3 + [18O]T- + OH- + OH- = Fe[18O]TOHOH + 3OH- -Fe(OH)3 + [18O]T- + OH- + OD- = Fe[18O]TOHOD + 3OH- -Fe(OH)3 + [18O]T- + OH- + [18O]H- = Fe[18O]TOH[18O]H + 3OH- -Fe(OH)3 + [18O]T- + OH- + [18O]D- = Fe[18O]TOH[18O]D + 3OH- -Fe(OH)3 + [18O]T- + OD- + OH- = Fe[18O]TODOH + 3OH- -Fe(OH)3 + [18O]T- + OD- + OD- = Fe[18O]TODOD + 3OH- -Fe(OH)3 + [18O]T- + OD- + [18O]H- = Fe[18O]TOD[18O]H + 3OH- -Fe(OH)3 + [18O]T- + [18O]H- + OH- = Fe[18O]T[18O]HOH + 3OH- -Fe(OH)3 + [18O]T- + [18O]H- + OD- = Fe[18O]T[18O]HOD + 3OH- -Fe(OH)3 + [18O]T- + [18O]D- + OH- = Fe[18O]T[18O]DOH + 3OH- +Fe(OH)3 + OH- + OH- + OD- = FeOHOHOD + 3 OH- +Fe(OH)3 + OH- + OH- + OT- = FeOHOHOT + 3 OH- +Fe(OH)3 + OH- + OH- + [18O]H- = FeOHOH[18O]H + 3 OH- +Fe(OH)3 + OH- + OH- + [18O]D- = FeOHOH[18O]D + 3 OH- +Fe(OH)3 + OH- + OH- + [18O]T- = FeOHOH[18O]T + 3 OH- +Fe(OH)3 + OH- + OD- + OH- = FeOHODOH + 3 OH- +Fe(OH)3 + OH- + OD- + OD- = FeOHODOD + 3 OH- +Fe(OH)3 + OH- + OD- + OT- = FeOHODOT + 3 OH- +Fe(OH)3 + OH- + OD- + [18O]H- = FeOHOD[18O]H + 3 OH- +Fe(OH)3 + OH- + OD- + [18O]D- = FeOHOD[18O]D + 3 OH- +Fe(OH)3 + OH- + OD- + [18O]T- = FeOHOD[18O]T + 3 OH- +Fe(OH)3 + OH- + OT- + OH- = FeOHOTOH + 3 OH- +Fe(OH)3 + OH- + OT- + OD- = FeOHOTOD + 3 OH- +Fe(OH)3 + OH- + OT- + [18O]H- = FeOHOT[18O]H + 3 OH- +Fe(OH)3 + OH- + OT- + [18O]D- = FeOHOT[18O]D + 3 OH- +Fe(OH)3 + OH- + [18O]H- + OH- = FeOH[18O]HOH + 3 OH- +Fe(OH)3 + OH- + [18O]H- + OD- = FeOH[18O]HOD + 3 OH- +Fe(OH)3 + OH- + [18O]H- + OT- = FeOH[18O]HOT + 3 OH- +Fe(OH)3 + OH- + [18O]H- + [18O]H- = FeOH[18O]H[18O]H + 3 OH- +Fe(OH)3 + OH- + [18O]H- + [18O]D- = FeOH[18O]H[18O]D + 3 OH- +Fe(OH)3 + OH- + [18O]H- + [18O]T- = FeOH[18O]H[18O]T + 3 OH- +Fe(OH)3 + OH- + [18O]D- + OH- = FeOH[18O]DOH + 3 OH- +Fe(OH)3 + OH- + [18O]D- + OD- = FeOH[18O]DOD + 3 OH- +Fe(OH)3 + OH- + [18O]D- + OT- = FeOH[18O]DOT + 3 OH- +Fe(OH)3 + OH- + [18O]D- + [18O]H- = FeOH[18O]D[18O]H + 3 OH- +Fe(OH)3 + OH- + [18O]D- + [18O]D- = FeOH[18O]D[18O]D + 3 OH- +Fe(OH)3 + OH- + [18O]D- + [18O]T- = FeOH[18O]D[18O]T + 3 OH- +Fe(OH)3 + OH- + [18O]T- + OH- = FeOH[18O]TOH + 3 OH- +Fe(OH)3 + OH- + [18O]T- + OD- = FeOH[18O]TOD + 3 OH- +Fe(OH)3 + OH- + [18O]T- + [18O]H- = FeOH[18O]T[18O]H + 3 OH- +Fe(OH)3 + OH- + [18O]T- + [18O]D- = FeOH[18O]T[18O]D + 3 OH- +Fe(OH)3 + OD- + OH- + OH- = FeODOHOH + 3 OH- +Fe(OH)3 + OD- + OH- + OD- = FeODOHOD + 3 OH- +Fe(OH)3 + OD- + OH- + OT- = FeODOHOT + 3 OH- +Fe(OH)3 + OD- + OH- + [18O]H- = FeODOH[18O]H + 3 OH- +Fe(OH)3 + OD- + OH- + [18O]D- = FeODOH[18O]D + 3 OH- +Fe(OH)3 + OD- + OH- + [18O]T- = FeODOH[18O]T + 3 OH- +Fe(OH)3 + OD- + OD- + OH- = FeODODOH + 3 OH- +Fe(OH)3 + OD- + OD- + OT- = FeODODOT + 3 OH- +Fe(OH)3 + OD- + OD- + [18O]H- = FeODOD[18O]H + 3 OH- +Fe(OH)3 + OD- + OD- + [18O]T- = FeODOD[18O]T + 3 OH- +Fe(OH)3 + OD- + OT- + OH- = FeODOTOH + 3 OH- +Fe(OH)3 + OD- + OT- + OD- = FeODOTOD + 3 OH- +Fe(OH)3 + OD- + OT- + [18O]H- = FeODOT[18O]H + 3 OH- +Fe(OH)3 + OD- + OT- + [18O]D- = FeODOT[18O]D + 3 OH- +Fe(OH)3 + OD- + [18O]H- + OH- = FeOD[18O]HOH + 3 OH- +Fe(OH)3 + OD- + [18O]H- + OD- = FeOD[18O]HOD + 3 OH- +Fe(OH)3 + OD- + [18O]H- + OT- = FeOD[18O]HOT + 3 OH- +Fe(OH)3 + OD- + [18O]H- + [18O]H- = FeOD[18O]H[18O]H + 3 OH- +Fe(OH)3 + OD- + [18O]H- + [18O]D- = FeOD[18O]H[18O]D + 3 OH- +Fe(OH)3 + OD- + [18O]H- + [18O]T- = FeOD[18O]H[18O]T + 3 OH- +Fe(OH)3 + OD- + [18O]D- + OH- = FeOD[18O]DOH + 3 OH- +Fe(OH)3 + OD- + [18O]D- + OT- = FeOD[18O]DOT + 3 OH- +Fe(OH)3 + OD- + [18O]D- + [18O]H- = FeOD[18O]D[18O]H + 3 OH- +Fe(OH)3 + OD- + [18O]T- + OH- = FeOD[18O]TOH + 3 OH- +Fe(OH)3 + OD- + [18O]T- + OD- = FeOD[18O]TOD + 3 OH- +Fe(OH)3 + OD- + [18O]T- + [18O]H- = FeOD[18O]T[18O]H + 3 OH- +Fe(OH)3 + OT- + OH- + OH- = FeOTOHOH + 3 OH- +Fe(OH)3 + OT- + OH- + OD- = FeOTOHOD + 3 OH- +Fe(OH)3 + OT- + OH- + [18O]H- = FeOTOH[18O]H + 3 OH- +Fe(OH)3 + OT- + OH- + [18O]D- = FeOTOH[18O]D + 3 OH- +Fe(OH)3 + OT- + OD- + OH- = FeOTODOH + 3 OH- +Fe(OH)3 + OT- + OD- + OD- = FeOTODOD + 3 OH- +Fe(OH)3 + OT- + OD- + [18O]H- = FeOTOD[18O]H + 3 OH- +Fe(OH)3 + OT- + OD- + [18O]D- = FeOTOD[18O]D + 3 OH- +Fe(OH)3 + OT- + [18O]H- + OH- = FeOT[18O]HOH + 3 OH- +Fe(OH)3 + OT- + [18O]H- + OD- = FeOT[18O]HOD + 3 OH- +Fe(OH)3 + OT- + [18O]H- + [18O]H- = FeOT[18O]H[18O]H + 3 OH- +Fe(OH)3 + OT- + [18O]H- + [18O]D- = FeOT[18O]H[18O]D + 3 OH- +Fe(OH)3 + OT- + [18O]D- + OH- = FeOT[18O]DOH + 3 OH- +Fe(OH)3 + OT- + [18O]D- + OD- = FeOT[18O]DOD + 3 OH- +Fe(OH)3 + OT- + [18O]D- + [18O]H- = FeOT[18O]D[18O]H + 3 OH- +Fe(OH)3 + [18O]H- + OH- + OH- = Fe[18O]HOHOH + 3 OH- +Fe(OH)3 + [18O]H- + OH- + OD- = Fe[18O]HOHOD + 3 OH- +Fe(OH)3 + [18O]H- + OH- + OT- = Fe[18O]HOHOT + 3 OH- +Fe(OH)3 + [18O]H- + OH- + [18O]H- = Fe[18O]HOH[18O]H + 3 OH- +Fe(OH)3 + [18O]H- + OH- + [18O]D- = Fe[18O]HOH[18O]D + 3 OH- +Fe(OH)3 + [18O]H- + OH- + [18O]T- = Fe[18O]HOH[18O]T + 3 OH- +Fe(OH)3 + [18O]H- + OD- + OH- = Fe[18O]HODOH + 3 OH- +Fe(OH)3 + [18O]H- + OD- + OD- = Fe[18O]HODOD + 3 OH- +Fe(OH)3 + [18O]H- + OD- + OT- = Fe[18O]HODOT + 3 OH- +Fe(OH)3 + [18O]H- + OD- + [18O]H- = Fe[18O]HOD[18O]H + 3 OH- +Fe(OH)3 + [18O]H- + OD- + [18O]D- = Fe[18O]HOD[18O]D + 3 OH- +Fe(OH)3 + [18O]H- + OD- + [18O]T- = Fe[18O]HOD[18O]T + 3 OH- +Fe(OH)3 + [18O]H- + OT- + OH- = Fe[18O]HOTOH + 3 OH- +Fe(OH)3 + [18O]H- + OT- + OD- = Fe[18O]HOTOD + 3 OH- +Fe(OH)3 + [18O]H- + OT- + [18O]H- = Fe[18O]HOT[18O]H + 3 OH- +Fe(OH)3 + [18O]H- + OT- + [18O]D- = Fe[18O]HOT[18O]D + 3 OH- +Fe(OH)3 + [18O]H- + [18O]H- + OH- = Fe[18O]H[18O]HOH + 3 OH- +Fe(OH)3 + [18O]H- + [18O]H- + OD- = Fe[18O]H[18O]HOD + 3 OH- +Fe(OH)3 + [18O]H- + [18O]H- + OT- = Fe[18O]H[18O]HOT + 3 OH- +Fe(OH)3 + [18O]H- + [18O]D- + OH- = Fe[18O]H[18O]DOH + 3 OH- +Fe(OH)3 + [18O]H- + [18O]D- + OD- = Fe[18O]H[18O]DOD + 3 OH- +Fe(OH)3 + [18O]H- + [18O]D- + OT- = Fe[18O]H[18O]DOT + 3 OH- +Fe(OH)3 + [18O]H- + [18O]T- + OH- = Fe[18O]H[18O]TOH + 3 OH- +Fe(OH)3 + [18O]H- + [18O]T- + OD- = Fe[18O]H[18O]TOD + 3 OH- +Fe(OH)3 + [18O]D- + OH- + OH- = Fe[18O]DOHOH + 3 OH- +Fe(OH)3 + [18O]D- + OH- + OD- = Fe[18O]DOHOD + 3 OH- +Fe(OH)3 + [18O]D- + OH- + OT- = Fe[18O]DOHOT + 3 OH- +Fe(OH)3 + [18O]D- + OH- + [18O]H- = Fe[18O]DOH[18O]H + 3 OH- +Fe(OH)3 + [18O]D- + OH- + [18O]D- = Fe[18O]DOH[18O]D + 3 OH- +Fe(OH)3 + [18O]D- + OH- + [18O]T- = Fe[18O]DOH[18O]T + 3 OH- +Fe(OH)3 + [18O]D- + OD- + OH- = Fe[18O]DODOH + 3 OH- +Fe(OH)3 + [18O]D- + OD- + OT- = Fe[18O]DODOT + 3 OH- +Fe(OH)3 + [18O]D- + OD- + [18O]H- = Fe[18O]DOD[18O]H + 3 OH- +Fe(OH)3 + [18O]D- + OT- + OH- = Fe[18O]DOTOH + 3 OH- +Fe(OH)3 + [18O]D- + OT- + OD- = Fe[18O]DOTOD + 3 OH- +Fe(OH)3 + [18O]D- + OT- + [18O]H- = Fe[18O]DOT[18O]H + 3 OH- +Fe(OH)3 + [18O]D- + [18O]H- + OH- = Fe[18O]D[18O]HOH + 3 OH- +Fe(OH)3 + [18O]D- + [18O]H- + OD- = Fe[18O]D[18O]HOD + 3 OH- +Fe(OH)3 + [18O]D- + [18O]H- + OT- = Fe[18O]D[18O]HOT + 3 OH- +Fe(OH)3 + [18O]D- + [18O]D- + OH- = Fe[18O]D[18O]DOH + 3 OH- +Fe(OH)3 + [18O]D- + [18O]T- + OH- = Fe[18O]D[18O]TOH + 3 OH- +Fe(OH)3 + [18O]T- + OH- + OH- = Fe[18O]TOHOH + 3 OH- +Fe(OH)3 + [18O]T- + OH- + OD- = Fe[18O]TOHOD + 3 OH- +Fe(OH)3 + [18O]T- + OH- + [18O]H- = Fe[18O]TOH[18O]H + 3 OH- +Fe(OH)3 + [18O]T- + OH- + [18O]D- = Fe[18O]TOH[18O]D + 3 OH- +Fe(OH)3 + [18O]T- + OD- + OH- = Fe[18O]TODOH + 3 OH- +Fe(OH)3 + [18O]T- + OD- + OD- = Fe[18O]TODOD + 3 OH- +Fe(OH)3 + [18O]T- + OD- + [18O]H- = Fe[18O]TOD[18O]H + 3 OH- +Fe(OH)3 + [18O]T- + [18O]H- + OH- = Fe[18O]T[18O]HOH + 3 OH- +Fe(OH)3 + [18O]T- + [18O]H- + OD- = Fe[18O]T[18O]HOD + 3 OH- +Fe(OH)3 + [18O]T- + [18O]D- + OH- = Fe[18O]T[18O]DOH + 3 OH- # # Added Fe(OH)4- reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Fe(OH)4- + OH- + OH- + OH- + OD- = FeOHOHOHOD- + 4OH- -Fe(OH)4- + OH- + OH- + OH- + OT- = FeOHOHOHOT- + 4OH- -Fe(OH)4- + OH- + OH- + OH- + [18O]H- = FeOHOHOH[18O]H- + 4OH- -Fe(OH)4- + OH- + OH- + OH- + [18O]D- = FeOHOHOH[18O]D- + 4OH- -Fe(OH)4- + OH- + OH- + OH- + [18O]T- = FeOHOHOH[18O]T- + 4OH- -Fe(OH)4- + OH- + OH- + OD- + OH- = FeOHOHODOH- + 4OH- -Fe(OH)4- + OH- + OH- + OD- + OD- = FeOHOHODOD- + 4OH- -Fe(OH)4- + OH- + OH- + OD- + OT- = FeOHOHODOT- + 4OH- -Fe(OH)4- + OH- + OH- + OD- + [18O]H- = FeOHOHOD[18O]H- + 4OH- -Fe(OH)4- + OH- + OH- + OD- + [18O]D- = FeOHOHOD[18O]D- + 4OH- -Fe(OH)4- + OH- + OH- + OD- + [18O]T- = FeOHOHOD[18O]T- + 4OH- -Fe(OH)4- + OH- + OH- + OT- + OH- = FeOHOHOTOH- + 4OH- -Fe(OH)4- + OH- + OH- + OT- + OD- = FeOHOHOTOD- + 4OH- -Fe(OH)4- + OH- + OH- + OT- + [18O]H- = FeOHOHOT[18O]H- + 4OH- -Fe(OH)4- + OH- + OH- + OT- + [18O]D- = FeOHOHOT[18O]D- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]H- + OH- = FeOHOH[18O]HOH- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]H- + OD- = FeOHOH[18O]HOD- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]H- + OT- = FeOHOH[18O]HOT- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]H- + [18O]H- = FeOHOH[18O]H[18O]H- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]H- + [18O]D- = FeOHOH[18O]H[18O]D- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]H- + [18O]T- = FeOHOH[18O]H[18O]T- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]D- + OH- = FeOHOH[18O]DOH- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]D- + OD- = FeOHOH[18O]DOD- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]D- + OT- = FeOHOH[18O]DOT- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]D- + [18O]H- = FeOHOH[18O]D[18O]H- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]D- + [18O]D- = FeOHOH[18O]D[18O]D- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]D- + [18O]T- = FeOHOH[18O]D[18O]T- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]T- + OH- = FeOHOH[18O]TOH- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]T- + OD- = FeOHOH[18O]TOD- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]T- + [18O]H- = FeOHOH[18O]T[18O]H- + 4OH- -Fe(OH)4- + OH- + OH- + [18O]T- + [18O]D- = FeOHOH[18O]T[18O]D- + 4OH- -Fe(OH)4- + OH- + OD- + OH- + OH- = FeOHODOHOH- + 4OH- -Fe(OH)4- + OH- + OD- + OH- + OD- = FeOHODOHOD- + 4OH- -Fe(OH)4- + OH- + OD- + OH- + OT- = FeOHODOHOT- + 4OH- -Fe(OH)4- + OH- + OD- + OH- + [18O]H- = FeOHODOH[18O]H- + 4OH- -Fe(OH)4- + OH- + OD- + OH- + [18O]D- = FeOHODOH[18O]D- + 4OH- -Fe(OH)4- + OH- + OD- + OH- + [18O]T- = FeOHODOH[18O]T- + 4OH- -Fe(OH)4- + OH- + OD- + OD- + OH- = FeOHODODOH- + 4OH- -Fe(OH)4- + OH- + OD- + OD- + OT- = FeOHODODOT- + 4OH- -Fe(OH)4- + OH- + OD- + OD- + [18O]H- = FeOHODOD[18O]H- + 4OH- -Fe(OH)4- + OH- + OD- + OD- + [18O]T- = FeOHODOD[18O]T- + 4OH- -Fe(OH)4- + OH- + OD- + OT- + OH- = FeOHODOTOH- + 4OH- -Fe(OH)4- + OH- + OD- + OT- + OD- = FeOHODOTOD- + 4OH- -Fe(OH)4- + OH- + OD- + OT- + [18O]H- = FeOHODOT[18O]H- + 4OH- -Fe(OH)4- + OH- + OD- + OT- + [18O]D- = FeOHODOT[18O]D- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]H- + OH- = FeOHOD[18O]HOH- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]H- + OD- = FeOHOD[18O]HOD- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]H- + OT- = FeOHOD[18O]HOT- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]H- + [18O]H- = FeOHOD[18O]H[18O]H- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]H- + [18O]D- = FeOHOD[18O]H[18O]D- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]H- + [18O]T- = FeOHOD[18O]H[18O]T- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]D- + OH- = FeOHOD[18O]DOH- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]D- + OT- = FeOHOD[18O]DOT- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]D- + [18O]H- = FeOHOD[18O]D[18O]H- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]T- + OH- = FeOHOD[18O]TOH- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]T- + OD- = FeOHOD[18O]TOD- + 4OH- -Fe(OH)4- + OH- + OD- + [18O]T- + [18O]H- = FeOHOD[18O]T[18O]H- + 4OH- -Fe(OH)4- + OH- + OT- + OH- + OH- = FeOHOTOHOH- + 4OH- -Fe(OH)4- + OH- + OT- + OH- + OD- = FeOHOTOHOD- + 4OH- -Fe(OH)4- + OH- + OT- + OH- + [18O]H- = FeOHOTOH[18O]H- + 4OH- -Fe(OH)4- + OH- + OT- + OH- + [18O]D- = FeOHOTOH[18O]D- + 4OH- -Fe(OH)4- + OH- + OT- + OD- + OH- = FeOHOTODOH- + 4OH- -Fe(OH)4- + OH- + OT- + OD- + OD- = FeOHOTODOD- + 4OH- -Fe(OH)4- + OH- + OT- + OD- + [18O]H- = FeOHOTOD[18O]H- + 4OH- -Fe(OH)4- + OH- + OT- + OD- + [18O]D- = FeOHOTOD[18O]D- + 4OH- -Fe(OH)4- + OH- + OT- + [18O]H- + OH- = FeOHOT[18O]HOH- + 4OH- -Fe(OH)4- + OH- + OT- + [18O]H- + OD- = FeOHOT[18O]HOD- + 4OH- -Fe(OH)4- + OH- + OT- + [18O]H- + [18O]H- = FeOHOT[18O]H[18O]H- + 4OH- -Fe(OH)4- + OH- + OT- + [18O]H- + [18O]D- = FeOHOT[18O]H[18O]D- + 4OH- -Fe(OH)4- + OH- + OT- + [18O]D- + OH- = FeOHOT[18O]DOH- + 4OH- -Fe(OH)4- + OH- + OT- + [18O]D- + OD- = FeOHOT[18O]DOD- + 4OH- -Fe(OH)4- + OH- + OT- + [18O]D- + [18O]H- = FeOHOT[18O]D[18O]H- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OH- + OH- = FeOH[18O]HOHOH- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OH- + OD- = FeOH[18O]HOHOD- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OH- + OT- = FeOH[18O]HOHOT- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OH- + [18O]H- = FeOH[18O]HOH[18O]H- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OH- + [18O]D- = FeOH[18O]HOH[18O]D- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OH- + [18O]T- = FeOH[18O]HOH[18O]T- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OD- + OH- = FeOH[18O]HODOH- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OD- + OD- = FeOH[18O]HODOD- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OD- + OT- = FeOH[18O]HODOT- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OD- + [18O]H- = FeOH[18O]HOD[18O]H- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OD- + [18O]D- = FeOH[18O]HOD[18O]D- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OD- + [18O]T- = FeOH[18O]HOD[18O]T- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OT- + OH- = FeOH[18O]HOTOH- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OT- + OD- = FeOH[18O]HOTOD- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OT- + [18O]H- = FeOH[18O]HOT[18O]H- + 4OH- -Fe(OH)4- + OH- + [18O]H- + OT- + [18O]D- = FeOH[18O]HOT[18O]D- + 4OH- -Fe(OH)4- + OH- + [18O]H- + [18O]H- + OH- = FeOH[18O]H[18O]HOH- + 4OH- -Fe(OH)4- + OH- + [18O]H- + [18O]H- + OD- = FeOH[18O]H[18O]HOD- + 4OH- -Fe(OH)4- + OH- + [18O]H- + [18O]H- + OT- = FeOH[18O]H[18O]HOT- + 4OH- -Fe(OH)4- + OH- + [18O]H- + [18O]D- + OH- = FeOH[18O]H[18O]DOH- + 4OH- -Fe(OH)4- + OH- + [18O]H- + [18O]D- + OD- = FeOH[18O]H[18O]DOD- + 4OH- -Fe(OH)4- + OH- + [18O]H- + [18O]D- + OT- = FeOH[18O]H[18O]DOT- + 4OH- -Fe(OH)4- + OH- + [18O]H- + [18O]T- + OH- = FeOH[18O]H[18O]TOH- + 4OH- -Fe(OH)4- + OH- + [18O]H- + [18O]T- + OD- = FeOH[18O]H[18O]TOD- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OH- + OH- = FeOH[18O]DOHOH- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OH- + OD- = FeOH[18O]DOHOD- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OH- + OT- = FeOH[18O]DOHOT- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OH- + [18O]H- = FeOH[18O]DOH[18O]H- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OH- + [18O]D- = FeOH[18O]DOH[18O]D- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OH- + [18O]T- = FeOH[18O]DOH[18O]T- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OD- + OH- = FeOH[18O]DODOH- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OD- + OT- = FeOH[18O]DODOT- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OD- + [18O]H- = FeOH[18O]DOD[18O]H- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OT- + OH- = FeOH[18O]DOTOH- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OT- + OD- = FeOH[18O]DOTOD- + 4OH- -Fe(OH)4- + OH- + [18O]D- + OT- + [18O]H- = FeOH[18O]DOT[18O]H- + 4OH- -Fe(OH)4- + OH- + [18O]D- + [18O]H- + OH- = FeOH[18O]D[18O]HOH- + 4OH- -Fe(OH)4- + OH- + [18O]D- + [18O]H- + OD- = FeOH[18O]D[18O]HOD- + 4OH- -Fe(OH)4- + OH- + [18O]D- + [18O]H- + OT- = FeOH[18O]D[18O]HOT- + 4OH- -Fe(OH)4- + OH- + [18O]D- + [18O]D- + OH- = FeOH[18O]D[18O]DOH- + 4OH- -Fe(OH)4- + OH- + [18O]D- + [18O]T- + OH- = FeOH[18O]D[18O]TOH- + 4OH- -Fe(OH)4- + OH- + [18O]T- + OH- + OH- = FeOH[18O]TOHOH- + 4OH- -Fe(OH)4- + OH- + [18O]T- + OH- + OD- = FeOH[18O]TOHOD- + 4OH- -Fe(OH)4- + OH- + [18O]T- + OH- + [18O]H- = FeOH[18O]TOH[18O]H- + 4OH- -Fe(OH)4- + OH- + [18O]T- + OH- + [18O]D- = FeOH[18O]TOH[18O]D- + 4OH- -Fe(OH)4- + OH- + [18O]T- + OD- + OH- = FeOH[18O]TODOH- + 4OH- -Fe(OH)4- + OH- + [18O]T- + OD- + OD- = FeOH[18O]TODOD- + 4OH- -Fe(OH)4- + OH- + [18O]T- + OD- + [18O]H- = FeOH[18O]TOD[18O]H- + 4OH- -Fe(OH)4- + OH- + [18O]T- + [18O]H- + OH- = FeOH[18O]T[18O]HOH- + 4OH- -Fe(OH)4- + OH- + [18O]T- + [18O]H- + OD- = FeOH[18O]T[18O]HOD- + 4OH- -Fe(OH)4- + OH- + [18O]T- + [18O]D- + OH- = FeOH[18O]T[18O]DOH- + 4OH- -Fe(OH)4- + OD- + OH- + OH- + OH- = FeODOHOHOH- + 4OH- -Fe(OH)4- + OD- + OH- + OH- + OD- = FeODOHOHOD- + 4OH- -Fe(OH)4- + OD- + OH- + OH- + OT- = FeODOHOHOT- + 4OH- -Fe(OH)4- + OD- + OH- + OH- + [18O]H- = FeODOHOH[18O]H- + 4OH- -Fe(OH)4- + OD- + OH- + OH- + [18O]D- = FeODOHOH[18O]D- + 4OH- -Fe(OH)4- + OD- + OH- + OH- + [18O]T- = FeODOHOH[18O]T- + 4OH- -Fe(OH)4- + OD- + OH- + OD- + OH- = FeODOHODOH- + 4OH- -Fe(OH)4- + OD- + OH- + OD- + OT- = FeODOHODOT- + 4OH- -Fe(OH)4- + OD- + OH- + OD- + [18O]H- = FeODOHOD[18O]H- + 4OH- -Fe(OH)4- + OD- + OH- + OD- + [18O]T- = FeODOHOD[18O]T- + 4OH- -Fe(OH)4- + OD- + OH- + OT- + OH- = FeODOHOTOH- + 4OH- -Fe(OH)4- + OD- + OH- + OT- + OD- = FeODOHOTOD- + 4OH- -Fe(OH)4- + OD- + OH- + OT- + [18O]H- = FeODOHOT[18O]H- + 4OH- -Fe(OH)4- + OD- + OH- + OT- + [18O]D- = FeODOHOT[18O]D- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]H- + OH- = FeODOH[18O]HOH- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]H- + OD- = FeODOH[18O]HOD- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]H- + OT- = FeODOH[18O]HOT- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]H- + [18O]H- = FeODOH[18O]H[18O]H- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]H- + [18O]D- = FeODOH[18O]H[18O]D- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]H- + [18O]T- = FeODOH[18O]H[18O]T- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]D- + OH- = FeODOH[18O]DOH- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]D- + OT- = FeODOH[18O]DOT- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]D- + [18O]H- = FeODOH[18O]D[18O]H- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]T- + OH- = FeODOH[18O]TOH- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]T- + OD- = FeODOH[18O]TOD- + 4OH- -Fe(OH)4- + OD- + OH- + [18O]T- + [18O]H- = FeODOH[18O]T[18O]H- + 4OH- -Fe(OH)4- + OD- + OD- + OH- + OH- = FeODODOHOH- + 4OH- -Fe(OH)4- + OD- + OD- + OH- + OT- = FeODODOHOT- + 4OH- -Fe(OH)4- + OD- + OD- + OH- + [18O]H- = FeODODOH[18O]H- + 4OH- -Fe(OH)4- + OD- + OD- + OH- + [18O]T- = FeODODOH[18O]T- + 4OH- -Fe(OH)4- + OD- + OD- + OT- + OH- = FeODODOTOH- + 4OH- -Fe(OH)4- + OD- + OD- + OT- + [18O]H- = FeODODOT[18O]H- + 4OH- -Fe(OH)4- + OD- + OD- + [18O]H- + OH- = FeODOD[18O]HOH- + 4OH- -Fe(OH)4- + OD- + OD- + [18O]H- + OT- = FeODOD[18O]HOT- + 4OH- -Fe(OH)4- + OD- + OD- + [18O]H- + [18O]H- = FeODOD[18O]H[18O]H- + 4OH- -Fe(OH)4- + OD- + OD- + [18O]T- + OH- = FeODOD[18O]TOH- + 4OH- -Fe(OH)4- + OD- + OT- + OH- + OH- = FeODOTOHOH- + 4OH- -Fe(OH)4- + OD- + OT- + OH- + OD- = FeODOTOHOD- + 4OH- -Fe(OH)4- + OD- + OT- + OH- + [18O]H- = FeODOTOH[18O]H- + 4OH- -Fe(OH)4- + OD- + OT- + OH- + [18O]D- = FeODOTOH[18O]D- + 4OH- -Fe(OH)4- + OD- + OT- + OD- + OH- = FeODOTODOH- + 4OH- -Fe(OH)4- + OD- + OT- + OD- + [18O]H- = FeODOTOD[18O]H- + 4OH- -Fe(OH)4- + OD- + OT- + [18O]H- + OH- = FeODOT[18O]HOH- + 4OH- -Fe(OH)4- + OD- + OT- + [18O]H- + OD- = FeODOT[18O]HOD- + 4OH- -Fe(OH)4- + OD- + OT- + [18O]H- + [18O]H- = FeODOT[18O]H[18O]H- + 4OH- -Fe(OH)4- + OD- + OT- + [18O]D- + OH- = FeODOT[18O]DOH- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OH- + OH- = FeOD[18O]HOHOH- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OH- + OD- = FeOD[18O]HOHOD- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OH- + OT- = FeOD[18O]HOHOT- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OH- + [18O]H- = FeOD[18O]HOH[18O]H- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OH- + [18O]D- = FeOD[18O]HOH[18O]D- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OH- + [18O]T- = FeOD[18O]HOH[18O]T- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OD- + OH- = FeOD[18O]HODOH- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OD- + OT- = FeOD[18O]HODOT- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OD- + [18O]H- = FeOD[18O]HOD[18O]H- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OT- + OH- = FeOD[18O]HOTOH- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OT- + OD- = FeOD[18O]HOTOD- + 4OH- -Fe(OH)4- + OD- + [18O]H- + OT- + [18O]H- = FeOD[18O]HOT[18O]H- + 4OH- -Fe(OH)4- + OD- + [18O]H- + [18O]H- + OH- = FeOD[18O]H[18O]HOH- + 4OH- -Fe(OH)4- + OD- + [18O]H- + [18O]H- + OD- = FeOD[18O]H[18O]HOD- + 4OH- -Fe(OH)4- + OD- + [18O]H- + [18O]H- + OT- = FeOD[18O]H[18O]HOT- + 4OH- -Fe(OH)4- + OD- + [18O]H- + [18O]D- + OH- = FeOD[18O]H[18O]DOH- + 4OH- -Fe(OH)4- + OD- + [18O]H- + [18O]T- + OH- = FeOD[18O]H[18O]TOH- + 4OH- -Fe(OH)4- + OD- + [18O]D- + OH- + OH- = FeOD[18O]DOHOH- + 4OH- -Fe(OH)4- + OD- + [18O]D- + OH- + OT- = FeOD[18O]DOHOT- + 4OH- -Fe(OH)4- + OD- + [18O]D- + OH- + [18O]H- = FeOD[18O]DOH[18O]H- + 4OH- -Fe(OH)4- + OD- + [18O]D- + OT- + OH- = FeOD[18O]DOTOH- + 4OH- -Fe(OH)4- + OD- + [18O]D- + [18O]H- + OH- = FeOD[18O]D[18O]HOH- + 4OH- -Fe(OH)4- + OD- + [18O]T- + OH- + OH- = FeOD[18O]TOHOH- + 4OH- -Fe(OH)4- + OD- + [18O]T- + OH- + OD- = FeOD[18O]TOHOD- + 4OH- -Fe(OH)4- + OD- + [18O]T- + OH- + [18O]H- = FeOD[18O]TOH[18O]H- + 4OH- -Fe(OH)4- + OD- + [18O]T- + OD- + OH- = FeOD[18O]TODOH- + 4OH- -Fe(OH)4- + OD- + [18O]T- + [18O]H- + OH- = FeOD[18O]T[18O]HOH- + 4OH- -Fe(OH)4- + OT- + OH- + OH- + OH- = FeOTOHOHOH- + 4OH- -Fe(OH)4- + OT- + OH- + OH- + OD- = FeOTOHOHOD- + 4OH- -Fe(OH)4- + OT- + OH- + OH- + [18O]H- = FeOTOHOH[18O]H- + 4OH- -Fe(OH)4- + OT- + OH- + OH- + [18O]D- = FeOTOHOH[18O]D- + 4OH- -Fe(OH)4- + OT- + OH- + OD- + OH- = FeOTOHODOH- + 4OH- -Fe(OH)4- + OT- + OH- + OD- + OD- = FeOTOHODOD- + 4OH- -Fe(OH)4- + OT- + OH- + OD- + [18O]H- = FeOTOHOD[18O]H- + 4OH- -Fe(OH)4- + OT- + OH- + OD- + [18O]D- = FeOTOHOD[18O]D- + 4OH- -Fe(OH)4- + OT- + OH- + [18O]H- + OH- = FeOTOH[18O]HOH- + 4OH- -Fe(OH)4- + OT- + OH- + [18O]H- + OD- = FeOTOH[18O]HOD- + 4OH- -Fe(OH)4- + OT- + OH- + [18O]H- + [18O]H- = FeOTOH[18O]H[18O]H- + 4OH- -Fe(OH)4- + OT- + OH- + [18O]H- + [18O]D- = FeOTOH[18O]H[18O]D- + 4OH- -Fe(OH)4- + OT- + OH- + [18O]D- + OH- = FeOTOH[18O]DOH- + 4OH- -Fe(OH)4- + OT- + OH- + [18O]D- + OD- = FeOTOH[18O]DOD- + 4OH- -Fe(OH)4- + OT- + OH- + [18O]D- + [18O]H- = FeOTOH[18O]D[18O]H- + 4OH- -Fe(OH)4- + OT- + OD- + OH- + OH- = FeOTODOHOH- + 4OH- -Fe(OH)4- + OT- + OD- + OH- + OD- = FeOTODOHOD- + 4OH- -Fe(OH)4- + OT- + OD- + OH- + [18O]H- = FeOTODOH[18O]H- + 4OH- -Fe(OH)4- + OT- + OD- + OH- + [18O]D- = FeOTODOH[18O]D- + 4OH- -Fe(OH)4- + OT- + OD- + OD- + OH- = FeOTODODOH- + 4OH- -Fe(OH)4- + OT- + OD- + OD- + [18O]H- = FeOTODOD[18O]H- + 4OH- -Fe(OH)4- + OT- + OD- + [18O]H- + OH- = FeOTOD[18O]HOH- + 4OH- -Fe(OH)4- + OT- + OD- + [18O]H- + OD- = FeOTOD[18O]HOD- + 4OH- -Fe(OH)4- + OT- + OD- + [18O]H- + [18O]H- = FeOTOD[18O]H[18O]H- + 4OH- -Fe(OH)4- + OT- + OD- + [18O]D- + OH- = FeOTOD[18O]DOH- + 4OH- -Fe(OH)4- + OT- + [18O]H- + OH- + OH- = FeOT[18O]HOHOH- + 4OH- -Fe(OH)4- + OT- + [18O]H- + OH- + OD- = FeOT[18O]HOHOD- + 4OH- -Fe(OH)4- + OT- + [18O]H- + OH- + [18O]H- = FeOT[18O]HOH[18O]H- + 4OH- -Fe(OH)4- + OT- + [18O]H- + OH- + [18O]D- = FeOT[18O]HOH[18O]D- + 4OH- -Fe(OH)4- + OT- + [18O]H- + OD- + OH- = FeOT[18O]HODOH- + 4OH- -Fe(OH)4- + OT- + [18O]H- + OD- + OD- = FeOT[18O]HODOD- + 4OH- -Fe(OH)4- + OT- + [18O]H- + OD- + [18O]H- = FeOT[18O]HOD[18O]H- + 4OH- -Fe(OH)4- + OT- + [18O]H- + [18O]H- + OH- = FeOT[18O]H[18O]HOH- + 4OH- -Fe(OH)4- + OT- + [18O]H- + [18O]H- + OD- = FeOT[18O]H[18O]HOD- + 4OH- -Fe(OH)4- + OT- + [18O]H- + [18O]D- + OH- = FeOT[18O]H[18O]DOH- + 4OH- -Fe(OH)4- + OT- + [18O]D- + OH- + OH- = FeOT[18O]DOHOH- + 4OH- -Fe(OH)4- + OT- + [18O]D- + OH- + OD- = FeOT[18O]DOHOD- + 4OH- -Fe(OH)4- + OT- + [18O]D- + OH- + [18O]H- = FeOT[18O]DOH[18O]H- + 4OH- -Fe(OH)4- + OT- + [18O]D- + OD- + OH- = FeOT[18O]DODOH- + 4OH- -Fe(OH)4- + OT- + [18O]D- + [18O]H- + OH- = FeOT[18O]D[18O]HOH- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OH- + OH- = Fe[18O]HOHOHOH- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OH- + OD- = Fe[18O]HOHOHOD- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OH- + OT- = Fe[18O]HOHOHOT- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OH- + [18O]H- = Fe[18O]HOHOH[18O]H- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OH- + [18O]D- = Fe[18O]HOHOH[18O]D- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OH- + [18O]T- = Fe[18O]HOHOH[18O]T- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OD- + OH- = Fe[18O]HOHODOH- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OD- + OD- = Fe[18O]HOHODOD- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OD- + OT- = Fe[18O]HOHODOT- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OD- + [18O]H- = Fe[18O]HOHOD[18O]H- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OD- + [18O]D- = Fe[18O]HOHOD[18O]D- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OD- + [18O]T- = Fe[18O]HOHOD[18O]T- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OT- + OH- = Fe[18O]HOHOTOH- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OT- + OD- = Fe[18O]HOHOTOD- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OT- + [18O]H- = Fe[18O]HOHOT[18O]H- + 4OH- -Fe(OH)4- + [18O]H- + OH- + OT- + [18O]D- = Fe[18O]HOHOT[18O]D- + 4OH- -Fe(OH)4- + [18O]H- + OH- + [18O]H- + OH- = Fe[18O]HOH[18O]HOH- + 4OH- -Fe(OH)4- + [18O]H- + OH- + [18O]H- + OD- = Fe[18O]HOH[18O]HOD- + 4OH- -Fe(OH)4- + [18O]H- + OH- + [18O]H- + OT- = Fe[18O]HOH[18O]HOT- + 4OH- -Fe(OH)4- + [18O]H- + OH- + [18O]D- + OH- = Fe[18O]HOH[18O]DOH- + 4OH- -Fe(OH)4- + [18O]H- + OH- + [18O]D- + OD- = Fe[18O]HOH[18O]DOD- + 4OH- -Fe(OH)4- + [18O]H- + OH- + [18O]D- + OT- = Fe[18O]HOH[18O]DOT- + 4OH- -Fe(OH)4- + [18O]H- + OH- + [18O]T- + OH- = Fe[18O]HOH[18O]TOH- + 4OH- -Fe(OH)4- + [18O]H- + OH- + [18O]T- + OD- = Fe[18O]HOH[18O]TOD- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OH- + OH- = Fe[18O]HODOHOH- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OH- + OD- = Fe[18O]HODOHOD- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OH- + OT- = Fe[18O]HODOHOT- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OH- + [18O]H- = Fe[18O]HODOH[18O]H- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OH- + [18O]D- = Fe[18O]HODOH[18O]D- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OH- + [18O]T- = Fe[18O]HODOH[18O]T- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OD- + OH- = Fe[18O]HODODOH- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OD- + OT- = Fe[18O]HODODOT- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OD- + [18O]H- = Fe[18O]HODOD[18O]H- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OT- + OH- = Fe[18O]HODOTOH- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OT- + OD- = Fe[18O]HODOTOD- + 4OH- -Fe(OH)4- + [18O]H- + OD- + OT- + [18O]H- = Fe[18O]HODOT[18O]H- + 4OH- -Fe(OH)4- + [18O]H- + OD- + [18O]H- + OH- = Fe[18O]HOD[18O]HOH- + 4OH- -Fe(OH)4- + [18O]H- + OD- + [18O]H- + OD- = Fe[18O]HOD[18O]HOD- + 4OH- -Fe(OH)4- + [18O]H- + OD- + [18O]H- + OT- = Fe[18O]HOD[18O]HOT- + 4OH- -Fe(OH)4- + [18O]H- + OD- + [18O]D- + OH- = Fe[18O]HOD[18O]DOH- + 4OH- -Fe(OH)4- + [18O]H- + OD- + [18O]T- + OH- = Fe[18O]HOD[18O]TOH- + 4OH- -Fe(OH)4- + [18O]H- + OT- + OH- + OH- = Fe[18O]HOTOHOH- + 4OH- -Fe(OH)4- + [18O]H- + OT- + OH- + OD- = Fe[18O]HOTOHOD- + 4OH- -Fe(OH)4- + [18O]H- + OT- + OH- + [18O]H- = Fe[18O]HOTOH[18O]H- + 4OH- -Fe(OH)4- + [18O]H- + OT- + OH- + [18O]D- = Fe[18O]HOTOH[18O]D- + 4OH- -Fe(OH)4- + [18O]H- + OT- + OD- + OH- = Fe[18O]HOTODOH- + 4OH- -Fe(OH)4- + [18O]H- + OT- + OD- + OD- = Fe[18O]HOTODOD- + 4OH- -Fe(OH)4- + [18O]H- + OT- + OD- + [18O]H- = Fe[18O]HOTOD[18O]H- + 4OH- -Fe(OH)4- + [18O]H- + OT- + [18O]H- + OH- = Fe[18O]HOT[18O]HOH- + 4OH- -Fe(OH)4- + [18O]H- + OT- + [18O]H- + OD- = Fe[18O]HOT[18O]HOD- + 4OH- -Fe(OH)4- + [18O]H- + OT- + [18O]D- + OH- = Fe[18O]HOT[18O]DOH- + 4OH- -Fe(OH)4- + [18O]H- + [18O]H- + OH- + OH- = Fe[18O]H[18O]HOHOH- + 4OH- -Fe(OH)4- + [18O]H- + [18O]H- + OH- + OD- = Fe[18O]H[18O]HOHOD- + 4OH- -Fe(OH)4- + [18O]H- + [18O]H- + OH- + OT- = Fe[18O]H[18O]HOHOT- + 4OH- -Fe(OH)4- + [18O]H- + [18O]H- + OD- + OH- = Fe[18O]H[18O]HODOH- + 4OH- -Fe(OH)4- + [18O]H- + [18O]H- + OD- + OD- = Fe[18O]H[18O]HODOD- + 4OH- -Fe(OH)4- + [18O]H- + [18O]H- + OD- + OT- = Fe[18O]H[18O]HODOT- + 4OH- -Fe(OH)4- + [18O]H- + [18O]H- + OT- + OH- = Fe[18O]H[18O]HOTOH- + 4OH- -Fe(OH)4- + [18O]H- + [18O]H- + OT- + OD- = Fe[18O]H[18O]HOTOD- + 4OH- -Fe(OH)4- + [18O]H- + [18O]D- + OH- + OH- = Fe[18O]H[18O]DOHOH- + 4OH- -Fe(OH)4- + [18O]H- + [18O]D- + OH- + OD- = Fe[18O]H[18O]DOHOD- + 4OH- -Fe(OH)4- + [18O]H- + [18O]D- + OH- + OT- = Fe[18O]H[18O]DOHOT- + 4OH- -Fe(OH)4- + [18O]H- + [18O]D- + OD- + OH- = Fe[18O]H[18O]DODOH- + 4OH- -Fe(OH)4- + [18O]H- + [18O]D- + OT- + OH- = Fe[18O]H[18O]DOTOH- + 4OH- -Fe(OH)4- + [18O]H- + [18O]T- + OH- + OH- = Fe[18O]H[18O]TOHOH- + 4OH- -Fe(OH)4- + [18O]H- + [18O]T- + OH- + OD- = Fe[18O]H[18O]TOHOD- + 4OH- -Fe(OH)4- + [18O]H- + [18O]T- + OD- + OH- = Fe[18O]H[18O]TODOH- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OH- + OH- = Fe[18O]DOHOHOH- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OH- + OD- = Fe[18O]DOHOHOD- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OH- + OT- = Fe[18O]DOHOHOT- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OH- + [18O]H- = Fe[18O]DOHOH[18O]H- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OH- + [18O]D- = Fe[18O]DOHOH[18O]D- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OH- + [18O]T- = Fe[18O]DOHOH[18O]T- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OD- + OH- = Fe[18O]DOHODOH- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OD- + OT- = Fe[18O]DOHODOT- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OD- + [18O]H- = Fe[18O]DOHOD[18O]H- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OT- + OH- = Fe[18O]DOHOTOH- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OT- + OD- = Fe[18O]DOHOTOD- + 4OH- -Fe(OH)4- + [18O]D- + OH- + OT- + [18O]H- = Fe[18O]DOHOT[18O]H- + 4OH- -Fe(OH)4- + [18O]D- + OH- + [18O]H- + OH- = Fe[18O]DOH[18O]HOH- + 4OH- -Fe(OH)4- + [18O]D- + OH- + [18O]H- + OD- = Fe[18O]DOH[18O]HOD- + 4OH- -Fe(OH)4- + [18O]D- + OH- + [18O]H- + OT- = Fe[18O]DOH[18O]HOT- + 4OH- -Fe(OH)4- + [18O]D- + OH- + [18O]D- + OH- = Fe[18O]DOH[18O]DOH- + 4OH- -Fe(OH)4- + [18O]D- + OH- + [18O]T- + OH- = Fe[18O]DOH[18O]TOH- + 4OH- -Fe(OH)4- + [18O]D- + OD- + OH- + OH- = Fe[18O]DODOHOH- + 4OH- -Fe(OH)4- + [18O]D- + OD- + OH- + OT- = Fe[18O]DODOHOT- + 4OH- -Fe(OH)4- + [18O]D- + OD- + OH- + [18O]H- = Fe[18O]DODOH[18O]H- + 4OH- -Fe(OH)4- + [18O]D- + OD- + OT- + OH- = Fe[18O]DODOTOH- + 4OH- -Fe(OH)4- + [18O]D- + OD- + [18O]H- + OH- = Fe[18O]DOD[18O]HOH- + 4OH- -Fe(OH)4- + [18O]D- + OT- + OH- + OH- = Fe[18O]DOTOHOH- + 4OH- -Fe(OH)4- + [18O]D- + OT- + OH- + OD- = Fe[18O]DOTOHOD- + 4OH- -Fe(OH)4- + [18O]D- + OT- + OH- + [18O]H- = Fe[18O]DOTOH[18O]H- + 4OH- -Fe(OH)4- + [18O]D- + OT- + OD- + OH- = Fe[18O]DOTODOH- + 4OH- -Fe(OH)4- + [18O]D- + OT- + [18O]H- + OH- = Fe[18O]DOT[18O]HOH- + 4OH- -Fe(OH)4- + [18O]D- + [18O]H- + OH- + OH- = Fe[18O]D[18O]HOHOH- + 4OH- -Fe(OH)4- + [18O]D- + [18O]H- + OH- + OD- = Fe[18O]D[18O]HOHOD- + 4OH- -Fe(OH)4- + [18O]D- + [18O]H- + OH- + OT- = Fe[18O]D[18O]HOHOT- + 4OH- -Fe(OH)4- + [18O]D- + [18O]H- + OD- + OH- = Fe[18O]D[18O]HODOH- + 4OH- -Fe(OH)4- + [18O]D- + [18O]H- + OT- + OH- = Fe[18O]D[18O]HOTOH- + 4OH- -Fe(OH)4- + [18O]D- + [18O]D- + OH- + OH- = Fe[18O]D[18O]DOHOH- + 4OH- -Fe(OH)4- + [18O]D- + [18O]T- + OH- + OH- = Fe[18O]D[18O]TOHOH- + 4OH- -Fe(OH)4- + [18O]T- + OH- + OH- + OH- = Fe[18O]TOHOHOH- + 4OH- -Fe(OH)4- + [18O]T- + OH- + OH- + OD- = Fe[18O]TOHOHOD- + 4OH- -Fe(OH)4- + [18O]T- + OH- + OH- + [18O]H- = Fe[18O]TOHOH[18O]H- + 4OH- -Fe(OH)4- + [18O]T- + OH- + OH- + [18O]D- = Fe[18O]TOHOH[18O]D- + 4OH- -Fe(OH)4- + [18O]T- + OH- + OD- + OH- = Fe[18O]TOHODOH- + 4OH- -Fe(OH)4- + [18O]T- + OH- + OD- + OD- = Fe[18O]TOHODOD- + 4OH- -Fe(OH)4- + [18O]T- + OH- + OD- + [18O]H- = Fe[18O]TOHOD[18O]H- + 4OH- -Fe(OH)4- + [18O]T- + OH- + [18O]H- + OH- = Fe[18O]TOH[18O]HOH- + 4OH- -Fe(OH)4- + [18O]T- + OH- + [18O]H- + OD- = Fe[18O]TOH[18O]HOD- + 4OH- -Fe(OH)4- + [18O]T- + OH- + [18O]D- + OH- = Fe[18O]TOH[18O]DOH- + 4OH- -Fe(OH)4- + [18O]T- + OD- + OH- + OH- = Fe[18O]TODOHOH- + 4OH- -Fe(OH)4- + [18O]T- + OD- + OH- + OD- = Fe[18O]TODOHOD- + 4OH- -Fe(OH)4- + [18O]T- + OD- + OH- + [18O]H- = Fe[18O]TODOH[18O]H- + 4OH- -Fe(OH)4- + [18O]T- + OD- + OD- + OH- = Fe[18O]TODODOH- + 4OH- -Fe(OH)4- + [18O]T- + OD- + [18O]H- + OH- = Fe[18O]TOD[18O]HOH- + 4OH- -Fe(OH)4- + [18O]T- + [18O]H- + OH- + OH- = Fe[18O]T[18O]HOHOH- + 4OH- -Fe(OH)4- + [18O]T- + [18O]H- + OH- + OD- = Fe[18O]T[18O]HOHOD- + 4OH- -Fe(OH)4- + [18O]T- + [18O]H- + OD- + OH- = Fe[18O]T[18O]HODOH- + 4OH- -Fe(OH)4- + [18O]T- + [18O]D- + OH- + OH- = Fe[18O]T[18O]DOHOH- + 4OH- +Fe(OH)4- + OH- + OH- + OH- + OD- = FeOHOHOHOD- + 4 OH- +Fe(OH)4- + OH- + OH- + OH- + OT- = FeOHOHOHOT- + 4 OH- +Fe(OH)4- + OH- + OH- + OH- + [18O]H- = FeOHOHOH[18O]H- + 4 OH- +Fe(OH)4- + OH- + OH- + OH- + [18O]D- = FeOHOHOH[18O]D- + 4 OH- +Fe(OH)4- + OH- + OH- + OH- + [18O]T- = FeOHOHOH[18O]T- + 4 OH- +Fe(OH)4- + OH- + OH- + OD- + OH- = FeOHOHODOH- + 4 OH- +Fe(OH)4- + OH- + OH- + OD- + OD- = FeOHOHODOD- + 4 OH- +Fe(OH)4- + OH- + OH- + OD- + OT- = FeOHOHODOT- + 4 OH- +Fe(OH)4- + OH- + OH- + OD- + [18O]H- = FeOHOHOD[18O]H- + 4 OH- +Fe(OH)4- + OH- + OH- + OD- + [18O]D- = FeOHOHOD[18O]D- + 4 OH- +Fe(OH)4- + OH- + OH- + OD- + [18O]T- = FeOHOHOD[18O]T- + 4 OH- +Fe(OH)4- + OH- + OH- + OT- + OH- = FeOHOHOTOH- + 4 OH- +Fe(OH)4- + OH- + OH- + OT- + OD- = FeOHOHOTOD- + 4 OH- +Fe(OH)4- + OH- + OH- + OT- + [18O]H- = FeOHOHOT[18O]H- + 4 OH- +Fe(OH)4- + OH- + OH- + OT- + [18O]D- = FeOHOHOT[18O]D- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]H- + OH- = FeOHOH[18O]HOH- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]H- + OD- = FeOHOH[18O]HOD- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]H- + OT- = FeOHOH[18O]HOT- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]H- + [18O]H- = FeOHOH[18O]H[18O]H- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]H- + [18O]D- = FeOHOH[18O]H[18O]D- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]H- + [18O]T- = FeOHOH[18O]H[18O]T- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]D- + OH- = FeOHOH[18O]DOH- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]D- + OD- = FeOHOH[18O]DOD- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]D- + OT- = FeOHOH[18O]DOT- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]D- + [18O]H- = FeOHOH[18O]D[18O]H- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]D- + [18O]D- = FeOHOH[18O]D[18O]D- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]D- + [18O]T- = FeOHOH[18O]D[18O]T- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]T- + OH- = FeOHOH[18O]TOH- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]T- + OD- = FeOHOH[18O]TOD- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]T- + [18O]H- = FeOHOH[18O]T[18O]H- + 4 OH- +Fe(OH)4- + OH- + OH- + [18O]T- + [18O]D- = FeOHOH[18O]T[18O]D- + 4 OH- +Fe(OH)4- + OH- + OD- + OH- + OH- = FeOHODOHOH- + 4 OH- +Fe(OH)4- + OH- + OD- + OH- + OD- = FeOHODOHOD- + 4 OH- +Fe(OH)4- + OH- + OD- + OH- + OT- = FeOHODOHOT- + 4 OH- +Fe(OH)4- + OH- + OD- + OH- + [18O]H- = FeOHODOH[18O]H- + 4 OH- +Fe(OH)4- + OH- + OD- + OH- + [18O]D- = FeOHODOH[18O]D- + 4 OH- +Fe(OH)4- + OH- + OD- + OH- + [18O]T- = FeOHODOH[18O]T- + 4 OH- +Fe(OH)4- + OH- + OD- + OD- + OH- = FeOHODODOH- + 4 OH- +Fe(OH)4- + OH- + OD- + OD- + OT- = FeOHODODOT- + 4 OH- +Fe(OH)4- + OH- + OD- + OD- + [18O]H- = FeOHODOD[18O]H- + 4 OH- +Fe(OH)4- + OH- + OD- + OD- + [18O]T- = FeOHODOD[18O]T- + 4 OH- +Fe(OH)4- + OH- + OD- + OT- + OH- = FeOHODOTOH- + 4 OH- +Fe(OH)4- + OH- + OD- + OT- + OD- = FeOHODOTOD- + 4 OH- +Fe(OH)4- + OH- + OD- + OT- + [18O]H- = FeOHODOT[18O]H- + 4 OH- +Fe(OH)4- + OH- + OD- + OT- + [18O]D- = FeOHODOT[18O]D- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]H- + OH- = FeOHOD[18O]HOH- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]H- + OD- = FeOHOD[18O]HOD- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]H- + OT- = FeOHOD[18O]HOT- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]H- + [18O]H- = FeOHOD[18O]H[18O]H- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]H- + [18O]D- = FeOHOD[18O]H[18O]D- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]H- + [18O]T- = FeOHOD[18O]H[18O]T- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]D- + OH- = FeOHOD[18O]DOH- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]D- + OT- = FeOHOD[18O]DOT- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]D- + [18O]H- = FeOHOD[18O]D[18O]H- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]T- + OH- = FeOHOD[18O]TOH- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]T- + OD- = FeOHOD[18O]TOD- + 4 OH- +Fe(OH)4- + OH- + OD- + [18O]T- + [18O]H- = FeOHOD[18O]T[18O]H- + 4 OH- +Fe(OH)4- + OH- + OT- + OH- + OH- = FeOHOTOHOH- + 4 OH- +Fe(OH)4- + OH- + OT- + OH- + OD- = FeOHOTOHOD- + 4 OH- +Fe(OH)4- + OH- + OT- + OH- + [18O]H- = FeOHOTOH[18O]H- + 4 OH- +Fe(OH)4- + OH- + OT- + OH- + [18O]D- = FeOHOTOH[18O]D- + 4 OH- +Fe(OH)4- + OH- + OT- + OD- + OH- = FeOHOTODOH- + 4 OH- +Fe(OH)4- + OH- + OT- + OD- + OD- = FeOHOTODOD- + 4 OH- +Fe(OH)4- + OH- + OT- + OD- + [18O]H- = FeOHOTOD[18O]H- + 4 OH- +Fe(OH)4- + OH- + OT- + OD- + [18O]D- = FeOHOTOD[18O]D- + 4 OH- +Fe(OH)4- + OH- + OT- + [18O]H- + OH- = FeOHOT[18O]HOH- + 4 OH- +Fe(OH)4- + OH- + OT- + [18O]H- + OD- = FeOHOT[18O]HOD- + 4 OH- +Fe(OH)4- + OH- + OT- + [18O]H- + [18O]H- = FeOHOT[18O]H[18O]H- + 4 OH- +Fe(OH)4- + OH- + OT- + [18O]H- + [18O]D- = FeOHOT[18O]H[18O]D- + 4 OH- +Fe(OH)4- + OH- + OT- + [18O]D- + OH- = FeOHOT[18O]DOH- + 4 OH- +Fe(OH)4- + OH- + OT- + [18O]D- + OD- = FeOHOT[18O]DOD- + 4 OH- +Fe(OH)4- + OH- + OT- + [18O]D- + [18O]H- = FeOHOT[18O]D[18O]H- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OH- + OH- = FeOH[18O]HOHOH- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OH- + OD- = FeOH[18O]HOHOD- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OH- + OT- = FeOH[18O]HOHOT- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OH- + [18O]H- = FeOH[18O]HOH[18O]H- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OH- + [18O]D- = FeOH[18O]HOH[18O]D- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OH- + [18O]T- = FeOH[18O]HOH[18O]T- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OD- + OH- = FeOH[18O]HODOH- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OD- + OD- = FeOH[18O]HODOD- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OD- + OT- = FeOH[18O]HODOT- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OD- + [18O]H- = FeOH[18O]HOD[18O]H- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OD- + [18O]D- = FeOH[18O]HOD[18O]D- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OD- + [18O]T- = FeOH[18O]HOD[18O]T- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OT- + OH- = FeOH[18O]HOTOH- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OT- + OD- = FeOH[18O]HOTOD- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OT- + [18O]H- = FeOH[18O]HOT[18O]H- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + OT- + [18O]D- = FeOH[18O]HOT[18O]D- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + [18O]H- + OH- = FeOH[18O]H[18O]HOH- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + [18O]H- + OD- = FeOH[18O]H[18O]HOD- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + [18O]H- + OT- = FeOH[18O]H[18O]HOT- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + [18O]D- + OH- = FeOH[18O]H[18O]DOH- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + [18O]D- + OD- = FeOH[18O]H[18O]DOD- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + [18O]D- + OT- = FeOH[18O]H[18O]DOT- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + [18O]T- + OH- = FeOH[18O]H[18O]TOH- + 4 OH- +Fe(OH)4- + OH- + [18O]H- + [18O]T- + OD- = FeOH[18O]H[18O]TOD- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OH- + OH- = FeOH[18O]DOHOH- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OH- + OD- = FeOH[18O]DOHOD- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OH- + OT- = FeOH[18O]DOHOT- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OH- + [18O]H- = FeOH[18O]DOH[18O]H- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OH- + [18O]D- = FeOH[18O]DOH[18O]D- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OH- + [18O]T- = FeOH[18O]DOH[18O]T- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OD- + OH- = FeOH[18O]DODOH- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OD- + OT- = FeOH[18O]DODOT- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OD- + [18O]H- = FeOH[18O]DOD[18O]H- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OT- + OH- = FeOH[18O]DOTOH- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OT- + OD- = FeOH[18O]DOTOD- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + OT- + [18O]H- = FeOH[18O]DOT[18O]H- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + [18O]H- + OH- = FeOH[18O]D[18O]HOH- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + [18O]H- + OD- = FeOH[18O]D[18O]HOD- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + [18O]H- + OT- = FeOH[18O]D[18O]HOT- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + [18O]D- + OH- = FeOH[18O]D[18O]DOH- + 4 OH- +Fe(OH)4- + OH- + [18O]D- + [18O]T- + OH- = FeOH[18O]D[18O]TOH- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + OH- + OH- = FeOH[18O]TOHOH- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + OH- + OD- = FeOH[18O]TOHOD- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + OH- + [18O]H- = FeOH[18O]TOH[18O]H- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + OH- + [18O]D- = FeOH[18O]TOH[18O]D- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + OD- + OH- = FeOH[18O]TODOH- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + OD- + OD- = FeOH[18O]TODOD- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + OD- + [18O]H- = FeOH[18O]TOD[18O]H- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + [18O]H- + OH- = FeOH[18O]T[18O]HOH- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + [18O]H- + OD- = FeOH[18O]T[18O]HOD- + 4 OH- +Fe(OH)4- + OH- + [18O]T- + [18O]D- + OH- = FeOH[18O]T[18O]DOH- + 4 OH- +Fe(OH)4- + OD- + OH- + OH- + OH- = FeODOHOHOH- + 4 OH- +Fe(OH)4- + OD- + OH- + OH- + OD- = FeODOHOHOD- + 4 OH- +Fe(OH)4- + OD- + OH- + OH- + OT- = FeODOHOHOT- + 4 OH- +Fe(OH)4- + OD- + OH- + OH- + [18O]H- = FeODOHOH[18O]H- + 4 OH- +Fe(OH)4- + OD- + OH- + OH- + [18O]D- = FeODOHOH[18O]D- + 4 OH- +Fe(OH)4- + OD- + OH- + OH- + [18O]T- = FeODOHOH[18O]T- + 4 OH- +Fe(OH)4- + OD- + OH- + OD- + OH- = FeODOHODOH- + 4 OH- +Fe(OH)4- + OD- + OH- + OD- + OT- = FeODOHODOT- + 4 OH- +Fe(OH)4- + OD- + OH- + OD- + [18O]H- = FeODOHOD[18O]H- + 4 OH- +Fe(OH)4- + OD- + OH- + OD- + [18O]T- = FeODOHOD[18O]T- + 4 OH- +Fe(OH)4- + OD- + OH- + OT- + OH- = FeODOHOTOH- + 4 OH- +Fe(OH)4- + OD- + OH- + OT- + OD- = FeODOHOTOD- + 4 OH- +Fe(OH)4- + OD- + OH- + OT- + [18O]H- = FeODOHOT[18O]H- + 4 OH- +Fe(OH)4- + OD- + OH- + OT- + [18O]D- = FeODOHOT[18O]D- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]H- + OH- = FeODOH[18O]HOH- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]H- + OD- = FeODOH[18O]HOD- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]H- + OT- = FeODOH[18O]HOT- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]H- + [18O]H- = FeODOH[18O]H[18O]H- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]H- + [18O]D- = FeODOH[18O]H[18O]D- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]H- + [18O]T- = FeODOH[18O]H[18O]T- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]D- + OH- = FeODOH[18O]DOH- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]D- + OT- = FeODOH[18O]DOT- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]D- + [18O]H- = FeODOH[18O]D[18O]H- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]T- + OH- = FeODOH[18O]TOH- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]T- + OD- = FeODOH[18O]TOD- + 4 OH- +Fe(OH)4- + OD- + OH- + [18O]T- + [18O]H- = FeODOH[18O]T[18O]H- + 4 OH- +Fe(OH)4- + OD- + OD- + OH- + OH- = FeODODOHOH- + 4 OH- +Fe(OH)4- + OD- + OD- + OH- + OT- = FeODODOHOT- + 4 OH- +Fe(OH)4- + OD- + OD- + OH- + [18O]H- = FeODODOH[18O]H- + 4 OH- +Fe(OH)4- + OD- + OD- + OH- + [18O]T- = FeODODOH[18O]T- + 4 OH- +Fe(OH)4- + OD- + OD- + OT- + OH- = FeODODOTOH- + 4 OH- +Fe(OH)4- + OD- + OD- + OT- + [18O]H- = FeODODOT[18O]H- + 4 OH- +Fe(OH)4- + OD- + OD- + [18O]H- + OH- = FeODOD[18O]HOH- + 4 OH- +Fe(OH)4- + OD- + OD- + [18O]H- + OT- = FeODOD[18O]HOT- + 4 OH- +Fe(OH)4- + OD- + OD- + [18O]H- + [18O]H- = FeODOD[18O]H[18O]H- + 4 OH- +Fe(OH)4- + OD- + OD- + [18O]T- + OH- = FeODOD[18O]TOH- + 4 OH- +Fe(OH)4- + OD- + OT- + OH- + OH- = FeODOTOHOH- + 4 OH- +Fe(OH)4- + OD- + OT- + OH- + OD- = FeODOTOHOD- + 4 OH- +Fe(OH)4- + OD- + OT- + OH- + [18O]H- = FeODOTOH[18O]H- + 4 OH- +Fe(OH)4- + OD- + OT- + OH- + [18O]D- = FeODOTOH[18O]D- + 4 OH- +Fe(OH)4- + OD- + OT- + OD- + OH- = FeODOTODOH- + 4 OH- +Fe(OH)4- + OD- + OT- + OD- + [18O]H- = FeODOTOD[18O]H- + 4 OH- +Fe(OH)4- + OD- + OT- + [18O]H- + OH- = FeODOT[18O]HOH- + 4 OH- +Fe(OH)4- + OD- + OT- + [18O]H- + OD- = FeODOT[18O]HOD- + 4 OH- +Fe(OH)4- + OD- + OT- + [18O]H- + [18O]H- = FeODOT[18O]H[18O]H- + 4 OH- +Fe(OH)4- + OD- + OT- + [18O]D- + OH- = FeODOT[18O]DOH- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OH- + OH- = FeOD[18O]HOHOH- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OH- + OD- = FeOD[18O]HOHOD- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OH- + OT- = FeOD[18O]HOHOT- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OH- + [18O]H- = FeOD[18O]HOH[18O]H- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OH- + [18O]D- = FeOD[18O]HOH[18O]D- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OH- + [18O]T- = FeOD[18O]HOH[18O]T- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OD- + OH- = FeOD[18O]HODOH- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OD- + OT- = FeOD[18O]HODOT- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OD- + [18O]H- = FeOD[18O]HOD[18O]H- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OT- + OH- = FeOD[18O]HOTOH- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OT- + OD- = FeOD[18O]HOTOD- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + OT- + [18O]H- = FeOD[18O]HOT[18O]H- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + [18O]H- + OH- = FeOD[18O]H[18O]HOH- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + [18O]H- + OD- = FeOD[18O]H[18O]HOD- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + [18O]H- + OT- = FeOD[18O]H[18O]HOT- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + [18O]D- + OH- = FeOD[18O]H[18O]DOH- + 4 OH- +Fe(OH)4- + OD- + [18O]H- + [18O]T- + OH- = FeOD[18O]H[18O]TOH- + 4 OH- +Fe(OH)4- + OD- + [18O]D- + OH- + OH- = FeOD[18O]DOHOH- + 4 OH- +Fe(OH)4- + OD- + [18O]D- + OH- + OT- = FeOD[18O]DOHOT- + 4 OH- +Fe(OH)4- + OD- + [18O]D- + OH- + [18O]H- = FeOD[18O]DOH[18O]H- + 4 OH- +Fe(OH)4- + OD- + [18O]D- + OT- + OH- = FeOD[18O]DOTOH- + 4 OH- +Fe(OH)4- + OD- + [18O]D- + [18O]H- + OH- = FeOD[18O]D[18O]HOH- + 4 OH- +Fe(OH)4- + OD- + [18O]T- + OH- + OH- = FeOD[18O]TOHOH- + 4 OH- +Fe(OH)4- + OD- + [18O]T- + OH- + OD- = FeOD[18O]TOHOD- + 4 OH- +Fe(OH)4- + OD- + [18O]T- + OH- + [18O]H- = FeOD[18O]TOH[18O]H- + 4 OH- +Fe(OH)4- + OD- + [18O]T- + OD- + OH- = FeOD[18O]TODOH- + 4 OH- +Fe(OH)4- + OD- + [18O]T- + [18O]H- + OH- = FeOD[18O]T[18O]HOH- + 4 OH- +Fe(OH)4- + OT- + OH- + OH- + OH- = FeOTOHOHOH- + 4 OH- +Fe(OH)4- + OT- + OH- + OH- + OD- = FeOTOHOHOD- + 4 OH- +Fe(OH)4- + OT- + OH- + OH- + [18O]H- = FeOTOHOH[18O]H- + 4 OH- +Fe(OH)4- + OT- + OH- + OH- + [18O]D- = FeOTOHOH[18O]D- + 4 OH- +Fe(OH)4- + OT- + OH- + OD- + OH- = FeOTOHODOH- + 4 OH- +Fe(OH)4- + OT- + OH- + OD- + OD- = FeOTOHODOD- + 4 OH- +Fe(OH)4- + OT- + OH- + OD- + [18O]H- = FeOTOHOD[18O]H- + 4 OH- +Fe(OH)4- + OT- + OH- + OD- + [18O]D- = FeOTOHOD[18O]D- + 4 OH- +Fe(OH)4- + OT- + OH- + [18O]H- + OH- = FeOTOH[18O]HOH- + 4 OH- +Fe(OH)4- + OT- + OH- + [18O]H- + OD- = FeOTOH[18O]HOD- + 4 OH- +Fe(OH)4- + OT- + OH- + [18O]H- + [18O]H- = FeOTOH[18O]H[18O]H- + 4 OH- +Fe(OH)4- + OT- + OH- + [18O]H- + [18O]D- = FeOTOH[18O]H[18O]D- + 4 OH- +Fe(OH)4- + OT- + OH- + [18O]D- + OH- = FeOTOH[18O]DOH- + 4 OH- +Fe(OH)4- + OT- + OH- + [18O]D- + OD- = FeOTOH[18O]DOD- + 4 OH- +Fe(OH)4- + OT- + OH- + [18O]D- + [18O]H- = FeOTOH[18O]D[18O]H- + 4 OH- +Fe(OH)4- + OT- + OD- + OH- + OH- = FeOTODOHOH- + 4 OH- +Fe(OH)4- + OT- + OD- + OH- + OD- = FeOTODOHOD- + 4 OH- +Fe(OH)4- + OT- + OD- + OH- + [18O]H- = FeOTODOH[18O]H- + 4 OH- +Fe(OH)4- + OT- + OD- + OH- + [18O]D- = FeOTODOH[18O]D- + 4 OH- +Fe(OH)4- + OT- + OD- + OD- + OH- = FeOTODODOH- + 4 OH- +Fe(OH)4- + OT- + OD- + OD- + [18O]H- = FeOTODOD[18O]H- + 4 OH- +Fe(OH)4- + OT- + OD- + [18O]H- + OH- = FeOTOD[18O]HOH- + 4 OH- +Fe(OH)4- + OT- + OD- + [18O]H- + OD- = FeOTOD[18O]HOD- + 4 OH- +Fe(OH)4- + OT- + OD- + [18O]H- + [18O]H- = FeOTOD[18O]H[18O]H- + 4 OH- +Fe(OH)4- + OT- + OD- + [18O]D- + OH- = FeOTOD[18O]DOH- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + OH- + OH- = FeOT[18O]HOHOH- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + OH- + OD- = FeOT[18O]HOHOD- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + OH- + [18O]H- = FeOT[18O]HOH[18O]H- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + OH- + [18O]D- = FeOT[18O]HOH[18O]D- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + OD- + OH- = FeOT[18O]HODOH- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + OD- + OD- = FeOT[18O]HODOD- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + OD- + [18O]H- = FeOT[18O]HOD[18O]H- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + [18O]H- + OH- = FeOT[18O]H[18O]HOH- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + [18O]H- + OD- = FeOT[18O]H[18O]HOD- + 4 OH- +Fe(OH)4- + OT- + [18O]H- + [18O]D- + OH- = FeOT[18O]H[18O]DOH- + 4 OH- +Fe(OH)4- + OT- + [18O]D- + OH- + OH- = FeOT[18O]DOHOH- + 4 OH- +Fe(OH)4- + OT- + [18O]D- + OH- + OD- = FeOT[18O]DOHOD- + 4 OH- +Fe(OH)4- + OT- + [18O]D- + OH- + [18O]H- = FeOT[18O]DOH[18O]H- + 4 OH- +Fe(OH)4- + OT- + [18O]D- + OD- + OH- = FeOT[18O]DODOH- + 4 OH- +Fe(OH)4- + OT- + [18O]D- + [18O]H- + OH- = FeOT[18O]D[18O]HOH- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OH- + OH- = Fe[18O]HOHOHOH- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OH- + OD- = Fe[18O]HOHOHOD- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OH- + OT- = Fe[18O]HOHOHOT- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OH- + [18O]H- = Fe[18O]HOHOH[18O]H- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OH- + [18O]D- = Fe[18O]HOHOH[18O]D- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OH- + [18O]T- = Fe[18O]HOHOH[18O]T- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OD- + OH- = Fe[18O]HOHODOH- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OD- + OD- = Fe[18O]HOHODOD- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OD- + OT- = Fe[18O]HOHODOT- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OD- + [18O]H- = Fe[18O]HOHOD[18O]H- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OD- + [18O]D- = Fe[18O]HOHOD[18O]D- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OD- + [18O]T- = Fe[18O]HOHOD[18O]T- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OT- + OH- = Fe[18O]HOHOTOH- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OT- + OD- = Fe[18O]HOHOTOD- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OT- + [18O]H- = Fe[18O]HOHOT[18O]H- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + OT- + [18O]D- = Fe[18O]HOHOT[18O]D- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + [18O]H- + OH- = Fe[18O]HOH[18O]HOH- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + [18O]H- + OD- = Fe[18O]HOH[18O]HOD- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + [18O]H- + OT- = Fe[18O]HOH[18O]HOT- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + [18O]D- + OH- = Fe[18O]HOH[18O]DOH- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + [18O]D- + OD- = Fe[18O]HOH[18O]DOD- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + [18O]D- + OT- = Fe[18O]HOH[18O]DOT- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + [18O]T- + OH- = Fe[18O]HOH[18O]TOH- + 4 OH- +Fe(OH)4- + [18O]H- + OH- + [18O]T- + OD- = Fe[18O]HOH[18O]TOD- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OH- + OH- = Fe[18O]HODOHOH- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OH- + OD- = Fe[18O]HODOHOD- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OH- + OT- = Fe[18O]HODOHOT- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OH- + [18O]H- = Fe[18O]HODOH[18O]H- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OH- + [18O]D- = Fe[18O]HODOH[18O]D- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OH- + [18O]T- = Fe[18O]HODOH[18O]T- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OD- + OH- = Fe[18O]HODODOH- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OD- + OT- = Fe[18O]HODODOT- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OD- + [18O]H- = Fe[18O]HODOD[18O]H- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OT- + OH- = Fe[18O]HODOTOH- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OT- + OD- = Fe[18O]HODOTOD- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + OT- + [18O]H- = Fe[18O]HODOT[18O]H- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + [18O]H- + OH- = Fe[18O]HOD[18O]HOH- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + [18O]H- + OD- = Fe[18O]HOD[18O]HOD- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + [18O]H- + OT- = Fe[18O]HOD[18O]HOT- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + [18O]D- + OH- = Fe[18O]HOD[18O]DOH- + 4 OH- +Fe(OH)4- + [18O]H- + OD- + [18O]T- + OH- = Fe[18O]HOD[18O]TOH- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + OH- + OH- = Fe[18O]HOTOHOH- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + OH- + OD- = Fe[18O]HOTOHOD- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + OH- + [18O]H- = Fe[18O]HOTOH[18O]H- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + OH- + [18O]D- = Fe[18O]HOTOH[18O]D- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + OD- + OH- = Fe[18O]HOTODOH- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + OD- + OD- = Fe[18O]HOTODOD- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + OD- + [18O]H- = Fe[18O]HOTOD[18O]H- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + [18O]H- + OH- = Fe[18O]HOT[18O]HOH- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + [18O]H- + OD- = Fe[18O]HOT[18O]HOD- + 4 OH- +Fe(OH)4- + [18O]H- + OT- + [18O]D- + OH- = Fe[18O]HOT[18O]DOH- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]H- + OH- + OH- = Fe[18O]H[18O]HOHOH- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]H- + OH- + OD- = Fe[18O]H[18O]HOHOD- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]H- + OH- + OT- = Fe[18O]H[18O]HOHOT- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]H- + OD- + OH- = Fe[18O]H[18O]HODOH- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]H- + OD- + OD- = Fe[18O]H[18O]HODOD- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]H- + OD- + OT- = Fe[18O]H[18O]HODOT- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]H- + OT- + OH- = Fe[18O]H[18O]HOTOH- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]H- + OT- + OD- = Fe[18O]H[18O]HOTOD- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]D- + OH- + OH- = Fe[18O]H[18O]DOHOH- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]D- + OH- + OD- = Fe[18O]H[18O]DOHOD- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]D- + OH- + OT- = Fe[18O]H[18O]DOHOT- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]D- + OD- + OH- = Fe[18O]H[18O]DODOH- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]D- + OT- + OH- = Fe[18O]H[18O]DOTOH- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]T- + OH- + OH- = Fe[18O]H[18O]TOHOH- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]T- + OH- + OD- = Fe[18O]H[18O]TOHOD- + 4 OH- +Fe(OH)4- + [18O]H- + [18O]T- + OD- + OH- = Fe[18O]H[18O]TODOH- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OH- + OH- = Fe[18O]DOHOHOH- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OH- + OD- = Fe[18O]DOHOHOD- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OH- + OT- = Fe[18O]DOHOHOT- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OH- + [18O]H- = Fe[18O]DOHOH[18O]H- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OH- + [18O]D- = Fe[18O]DOHOH[18O]D- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OH- + [18O]T- = Fe[18O]DOHOH[18O]T- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OD- + OH- = Fe[18O]DOHODOH- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OD- + OT- = Fe[18O]DOHODOT- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OD- + [18O]H- = Fe[18O]DOHOD[18O]H- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OT- + OH- = Fe[18O]DOHOTOH- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OT- + OD- = Fe[18O]DOHOTOD- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + OT- + [18O]H- = Fe[18O]DOHOT[18O]H- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + [18O]H- + OH- = Fe[18O]DOH[18O]HOH- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + [18O]H- + OD- = Fe[18O]DOH[18O]HOD- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + [18O]H- + OT- = Fe[18O]DOH[18O]HOT- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + [18O]D- + OH- = Fe[18O]DOH[18O]DOH- + 4 OH- +Fe(OH)4- + [18O]D- + OH- + [18O]T- + OH- = Fe[18O]DOH[18O]TOH- + 4 OH- +Fe(OH)4- + [18O]D- + OD- + OH- + OH- = Fe[18O]DODOHOH- + 4 OH- +Fe(OH)4- + [18O]D- + OD- + OH- + OT- = Fe[18O]DODOHOT- + 4 OH- +Fe(OH)4- + [18O]D- + OD- + OH- + [18O]H- = Fe[18O]DODOH[18O]H- + 4 OH- +Fe(OH)4- + [18O]D- + OD- + OT- + OH- = Fe[18O]DODOTOH- + 4 OH- +Fe(OH)4- + [18O]D- + OD- + [18O]H- + OH- = Fe[18O]DOD[18O]HOH- + 4 OH- +Fe(OH)4- + [18O]D- + OT- + OH- + OH- = Fe[18O]DOTOHOH- + 4 OH- +Fe(OH)4- + [18O]D- + OT- + OH- + OD- = Fe[18O]DOTOHOD- + 4 OH- +Fe(OH)4- + [18O]D- + OT- + OH- + [18O]H- = Fe[18O]DOTOH[18O]H- + 4 OH- +Fe(OH)4- + [18O]D- + OT- + OD- + OH- = Fe[18O]DOTODOH- + 4 OH- +Fe(OH)4- + [18O]D- + OT- + [18O]H- + OH- = Fe[18O]DOT[18O]HOH- + 4 OH- +Fe(OH)4- + [18O]D- + [18O]H- + OH- + OH- = Fe[18O]D[18O]HOHOH- + 4 OH- +Fe(OH)4- + [18O]D- + [18O]H- + OH- + OD- = Fe[18O]D[18O]HOHOD- + 4 OH- +Fe(OH)4- + [18O]D- + [18O]H- + OH- + OT- = Fe[18O]D[18O]HOHOT- + 4 OH- +Fe(OH)4- + [18O]D- + [18O]H- + OD- + OH- = Fe[18O]D[18O]HODOH- + 4 OH- +Fe(OH)4- + [18O]D- + [18O]H- + OT- + OH- = Fe[18O]D[18O]HOTOH- + 4 OH- +Fe(OH)4- + [18O]D- + [18O]D- + OH- + OH- = Fe[18O]D[18O]DOHOH- + 4 OH- +Fe(OH)4- + [18O]D- + [18O]T- + OH- + OH- = Fe[18O]D[18O]TOHOH- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + OH- + OH- = Fe[18O]TOHOHOH- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + OH- + OD- = Fe[18O]TOHOHOD- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + OH- + [18O]H- = Fe[18O]TOHOH[18O]H- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + OH- + [18O]D- = Fe[18O]TOHOH[18O]D- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + OD- + OH- = Fe[18O]TOHODOH- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + OD- + OD- = Fe[18O]TOHODOD- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + OD- + [18O]H- = Fe[18O]TOHOD[18O]H- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + [18O]H- + OH- = Fe[18O]TOH[18O]HOH- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + [18O]H- + OD- = Fe[18O]TOH[18O]HOD- + 4 OH- +Fe(OH)4- + [18O]T- + OH- + [18O]D- + OH- = Fe[18O]TOH[18O]DOH- + 4 OH- +Fe(OH)4- + [18O]T- + OD- + OH- + OH- = Fe[18O]TODOHOH- + 4 OH- +Fe(OH)4- + [18O]T- + OD- + OH- + OD- = Fe[18O]TODOHOD- + 4 OH- +Fe(OH)4- + [18O]T- + OD- + OH- + [18O]H- = Fe[18O]TODOH[18O]H- + 4 OH- +Fe(OH)4- + [18O]T- + OD- + OD- + OH- = Fe[18O]TODODOH- + 4 OH- +Fe(OH)4- + [18O]T- + OD- + [18O]H- + OH- = Fe[18O]TOD[18O]HOH- + 4 OH- +Fe(OH)4- + [18O]T- + [18O]H- + OH- + OH- = Fe[18O]T[18O]HOHOH- + 4 OH- +Fe(OH)4- + [18O]T- + [18O]H- + OH- + OD- = Fe[18O]T[18O]HOHOD- + 4 OH- +Fe(OH)4- + [18O]T- + [18O]H- + OD- + OH- = Fe[18O]T[18O]HODOH- + 4 OH- +Fe(OH)4- + [18O]T- + [18O]D- + OH- + OH- = Fe[18O]T[18O]DOHOH- + 4 OH- # # Added Fe2(OH)2+4 reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Fe2(OH)2+4 + OH- + OD- = Fe2OHOD+4 + 2OH- -Fe2(OH)2+4 + OH- + OT- = Fe2OHOT+4 + 2OH- -Fe2(OH)2+4 + OH- + [18O]H- = Fe2OH[18O]H+4 + 2OH- -Fe2(OH)2+4 + OH- + [18O]D- = Fe2OH[18O]D+4 + 2OH- -Fe2(OH)2+4 + OH- + [18O]T- = Fe2OH[18O]T+4 + 2OH- -Fe2(OH)2+4 + OD- + OH- = Fe2ODOH+4 + 2OH- -Fe2(OH)2+4 + OD- + OD- = Fe2ODOD+4 + 2OH- -Fe2(OH)2+4 + OD- + OT- = Fe2ODOT+4 + 2OH- -Fe2(OH)2+4 + OD- + [18O]H- = Fe2OD[18O]H+4 + 2OH- -Fe2(OH)2+4 + OD- + [18O]D- = Fe2OD[18O]D+4 + 2OH- -Fe2(OH)2+4 + OD- + [18O]T- = Fe2OD[18O]T+4 + 2OH- -Fe2(OH)2+4 + OT- + OH- = Fe2OTOH+4 + 2OH- -Fe2(OH)2+4 + OT- + OD- = Fe2OTOD+4 + 2OH- -Fe2(OH)2+4 + OT- + [18O]H- = Fe2OT[18O]H+4 + 2OH- -Fe2(OH)2+4 + OT- + [18O]D- = Fe2OT[18O]D+4 + 2OH- -Fe2(OH)2+4 + [18O]H- + OH- = Fe2[18O]HOH+4 + 2OH- -Fe2(OH)2+4 + [18O]H- + OD- = Fe2[18O]HOD+4 + 2OH- -Fe2(OH)2+4 + [18O]H- + OT- = Fe2[18O]HOT+4 + 2OH- -Fe2(OH)2+4 + [18O]H- + [18O]H- = Fe2[18O]H[18O]H+4 + 2OH- -Fe2(OH)2+4 + [18O]H- + [18O]D- = Fe2[18O]H[18O]D+4 + 2OH- -Fe2(OH)2+4 + [18O]H- + [18O]T- = Fe2[18O]H[18O]T+4 + 2OH- -Fe2(OH)2+4 + [18O]D- + OH- = Fe2[18O]DOH+4 + 2OH- -Fe2(OH)2+4 + [18O]D- + OD- = Fe2[18O]DOD+4 + 2OH- -Fe2(OH)2+4 + [18O]D- + OT- = Fe2[18O]DOT+4 + 2OH- -Fe2(OH)2+4 + [18O]D- + [18O]H- = Fe2[18O]D[18O]H+4 + 2OH- -Fe2(OH)2+4 + [18O]D- + [18O]D- = Fe2[18O]D[18O]D+4 + 2OH- -Fe2(OH)2+4 + [18O]D- + [18O]T- = Fe2[18O]D[18O]T+4 + 2OH- -Fe2(OH)2+4 + [18O]T- + OH- = Fe2[18O]TOH+4 + 2OH- -Fe2(OH)2+4 + [18O]T- + OD- = Fe2[18O]TOD+4 + 2OH- -Fe2(OH)2+4 + [18O]T- + [18O]H- = Fe2[18O]T[18O]H+4 + 2OH- -Fe2(OH)2+4 + [18O]T- + [18O]D- = Fe2[18O]T[18O]D+4 + 2OH- +Fe2(OH)2+4 + OH- + OD- = Fe2OHOD+4 + 2 OH- +Fe2(OH)2+4 + OH- + OT- = Fe2OHOT+4 + 2 OH- +Fe2(OH)2+4 + OH- + [18O]H- = Fe2OH[18O]H+4 + 2 OH- +Fe2(OH)2+4 + OH- + [18O]D- = Fe2OH[18O]D+4 + 2 OH- +Fe2(OH)2+4 + OH- + [18O]T- = Fe2OH[18O]T+4 + 2 OH- +Fe2(OH)2+4 + OD- + OH- = Fe2ODOH+4 + 2 OH- +Fe2(OH)2+4 + OD- + OD- = Fe2ODOD+4 + 2 OH- +Fe2(OH)2+4 + OD- + OT- = Fe2ODOT+4 + 2 OH- +Fe2(OH)2+4 + OD- + [18O]H- = Fe2OD[18O]H+4 + 2 OH- +Fe2(OH)2+4 + OD- + [18O]D- = Fe2OD[18O]D+4 + 2 OH- +Fe2(OH)2+4 + OD- + [18O]T- = Fe2OD[18O]T+4 + 2 OH- +Fe2(OH)2+4 + OT- + OH- = Fe2OTOH+4 + 2 OH- +Fe2(OH)2+4 + OT- + OD- = Fe2OTOD+4 + 2 OH- +Fe2(OH)2+4 + OT- + [18O]H- = Fe2OT[18O]H+4 + 2 OH- +Fe2(OH)2+4 + OT- + [18O]D- = Fe2OT[18O]D+4 + 2 OH- +Fe2(OH)2+4 + [18O]H- + OH- = Fe2[18O]HOH+4 + 2 OH- +Fe2(OH)2+4 + [18O]H- + OD- = Fe2[18O]HOD+4 + 2 OH- +Fe2(OH)2+4 + [18O]H- + OT- = Fe2[18O]HOT+4 + 2 OH- +Fe2(OH)2+4 + [18O]H- + [18O]H- = Fe2[18O]H[18O]H+4 + 2 OH- +Fe2(OH)2+4 + [18O]H- + [18O]D- = Fe2[18O]H[18O]D+4 + 2 OH- +Fe2(OH)2+4 + [18O]H- + [18O]T- = Fe2[18O]H[18O]T+4 + 2 OH- +Fe2(OH)2+4 + [18O]D- + OH- = Fe2[18O]DOH+4 + 2 OH- +Fe2(OH)2+4 + [18O]D- + OD- = Fe2[18O]DOD+4 + 2 OH- +Fe2(OH)2+4 + [18O]D- + OT- = Fe2[18O]DOT+4 + 2 OH- +Fe2(OH)2+4 + [18O]D- + [18O]H- = Fe2[18O]D[18O]H+4 + 2 OH- +Fe2(OH)2+4 + [18O]D- + [18O]D- = Fe2[18O]D[18O]D+4 + 2 OH- +Fe2(OH)2+4 + [18O]D- + [18O]T- = Fe2[18O]D[18O]T+4 + 2 OH- +Fe2(OH)2+4 + [18O]T- + OH- = Fe2[18O]TOH+4 + 2 OH- +Fe2(OH)2+4 + [18O]T- + OD- = Fe2[18O]TOD+4 + 2 OH- +Fe2(OH)2+4 + [18O]T- + [18O]H- = Fe2[18O]T[18O]H+4 + 2 OH- +Fe2(OH)2+4 + [18O]T- + [18O]D- = Fe2[18O]T[18O]D+4 + 2 OH- # # Added Fe3(OH)4+5 reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Fe3(OH)4+5 + OH- + OH- + OH- + OD- = Fe3OHOHOHOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OH- + OT- = Fe3OHOHOHOT+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OH- + [18O]H- = Fe3OHOHOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OH- + [18O]D- = Fe3OHOHOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OH- + [18O]T- = Fe3OHOHOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OD- + OH- = Fe3OHOHODOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OD- + OD- = Fe3OHOHODOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OD- + OT- = Fe3OHOHODOT+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OD- + [18O]H- = Fe3OHOHOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OD- + [18O]D- = Fe3OHOHOD[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OD- + [18O]T- = Fe3OHOHOD[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OT- + OH- = Fe3OHOHOTOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OT- + OD- = Fe3OHOHOTOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OT- + [18O]H- = Fe3OHOHOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + OT- + [18O]D- = Fe3OHOHOT[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]H- + OH- = Fe3OHOH[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]H- + OD- = Fe3OHOH[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]H- + OT- = Fe3OHOH[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]H- = Fe3OHOH[18O]H[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]D- = Fe3OHOH[18O]H[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]T- = Fe3OHOH[18O]H[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]D- + OH- = Fe3OHOH[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]D- + OD- = Fe3OHOH[18O]DOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]D- + OT- = Fe3OHOH[18O]DOT+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]H- = Fe3OHOH[18O]D[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]D- = Fe3OHOH[18O]D[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]T- = Fe3OHOH[18O]D[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]T- + OH- = Fe3OHOH[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]T- + OD- = Fe3OHOH[18O]TOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]T- + [18O]H- = Fe3OHOH[18O]T[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OH- + [18O]T- + [18O]D- = Fe3OHOH[18O]T[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OH- + OH- = Fe3OHODOHOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OH- + OD- = Fe3OHODOHOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OH- + OT- = Fe3OHODOHOT+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OH- + [18O]H- = Fe3OHODOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OH- + [18O]D- = Fe3OHODOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OH- + [18O]T- = Fe3OHODOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OD- + OH- = Fe3OHODODOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OD- + OT- = Fe3OHODODOT+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OD- + [18O]H- = Fe3OHODOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OD- + [18O]T- = Fe3OHODOD[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OT- + OH- = Fe3OHODOTOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OT- + OD- = Fe3OHODOTOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OT- + [18O]H- = Fe3OHODOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + OT- + [18O]D- = Fe3OHODOT[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]H- + OH- = Fe3OHOD[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]H- + OD- = Fe3OHOD[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]H- + OT- = Fe3OHOD[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]H- = Fe3OHOD[18O]H[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]D- = Fe3OHOD[18O]H[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]T- = Fe3OHOD[18O]H[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]D- + OH- = Fe3OHOD[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]D- + OT- = Fe3OHOD[18O]DOT+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]D- + [18O]H- = Fe3OHOD[18O]D[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]T- + OH- = Fe3OHOD[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]T- + OD- = Fe3OHOD[18O]TOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OD- + [18O]T- + [18O]H- = Fe3OHOD[18O]T[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + OH- + OH- = Fe3OHOTOHOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + OH- + OD- = Fe3OHOTOHOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + OH- + [18O]H- = Fe3OHOTOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + OH- + [18O]D- = Fe3OHOTOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + OD- + OH- = Fe3OHOTODOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + OD- + OD- = Fe3OHOTODOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + OD- + [18O]H- = Fe3OHOTOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + OD- + [18O]D- = Fe3OHOTOD[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + [18O]H- + OH- = Fe3OHOT[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + [18O]H- + OD- = Fe3OHOT[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + [18O]H- + [18O]H- = Fe3OHOT[18O]H[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + [18O]H- + [18O]D- = Fe3OHOT[18O]H[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + [18O]D- + OH- = Fe3OHOT[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + [18O]D- + OD- = Fe3OHOT[18O]DOD+5 + 4OH- -Fe3(OH)4+5 + OH- + OT- + [18O]D- + [18O]H- = Fe3OHOT[18O]D[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OH- + OH- = Fe3OH[18O]HOHOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OH- + OD- = Fe3OH[18O]HOHOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OH- + OT- = Fe3OH[18O]HOHOT+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]H- = Fe3OH[18O]HOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]D- = Fe3OH[18O]HOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]T- = Fe3OH[18O]HOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OD- + OH- = Fe3OH[18O]HODOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OD- + OD- = Fe3OH[18O]HODOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OD- + OT- = Fe3OH[18O]HODOT+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]H- = Fe3OH[18O]HOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]D- = Fe3OH[18O]HOD[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]T- = Fe3OH[18O]HOD[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OT- + OH- = Fe3OH[18O]HOTOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OT- + OD- = Fe3OH[18O]HOTOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OT- + [18O]H- = Fe3OH[18O]HOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + OT- + [18O]D- = Fe3OH[18O]HOT[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OH- = Fe3OH[18O]H[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OD- = Fe3OH[18O]H[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OT- = Fe3OH[18O]H[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OH- = Fe3OH[18O]H[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OD- = Fe3OH[18O]H[18O]DOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OT- = Fe3OH[18O]H[18O]DOT+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + [18O]T- + OH- = Fe3OH[18O]H[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]H- + [18O]T- + OD- = Fe3OH[18O]H[18O]TOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OH- + OH- = Fe3OH[18O]DOHOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OH- + OD- = Fe3OH[18O]DOHOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OH- + OT- = Fe3OH[18O]DOHOT+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]H- = Fe3OH[18O]DOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]D- = Fe3OH[18O]DOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]T- = Fe3OH[18O]DOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OD- + OH- = Fe3OH[18O]DODOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OD- + OT- = Fe3OH[18O]DODOT+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OD- + [18O]H- = Fe3OH[18O]DOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OT- + OH- = Fe3OH[18O]DOTOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OT- + OD- = Fe3OH[18O]DOTOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + OT- + [18O]H- = Fe3OH[18O]DOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OH- = Fe3OH[18O]D[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OD- = Fe3OH[18O]D[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OT- = Fe3OH[18O]D[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + [18O]D- + OH- = Fe3OH[18O]D[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]D- + [18O]T- + OH- = Fe3OH[18O]D[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + OH- + OH- = Fe3OH[18O]TOHOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + OH- + OD- = Fe3OH[18O]TOHOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + OH- + [18O]H- = Fe3OH[18O]TOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + OH- + [18O]D- = Fe3OH[18O]TOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + OD- + OH- = Fe3OH[18O]TODOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + OD- + OD- = Fe3OH[18O]TODOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + OD- + [18O]H- = Fe3OH[18O]TOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + [18O]H- + OH- = Fe3OH[18O]T[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + [18O]H- + OD- = Fe3OH[18O]T[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OH- + [18O]T- + [18O]D- + OH- = Fe3OH[18O]T[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OH- + OH- = Fe3ODOHOHOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OH- + OD- = Fe3ODOHOHOD+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OH- + OT- = Fe3ODOHOHOT+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OH- + [18O]H- = Fe3ODOHOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OH- + [18O]D- = Fe3ODOHOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OH- + [18O]T- = Fe3ODOHOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OD- + OH- = Fe3ODOHODOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OD- + OT- = Fe3ODOHODOT+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OD- + [18O]H- = Fe3ODOHOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OD- + [18O]T- = Fe3ODOHOD[18O]T+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OT- + OH- = Fe3ODOHOTOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OT- + OD- = Fe3ODOHOTOD+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OT- + [18O]H- = Fe3ODOHOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + OT- + [18O]D- = Fe3ODOHOT[18O]D+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]H- + OH- = Fe3ODOH[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]H- + OD- = Fe3ODOH[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]H- + OT- = Fe3ODOH[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]H- = Fe3ODOH[18O]H[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]D- = Fe3ODOH[18O]H[18O]D+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]T- = Fe3ODOH[18O]H[18O]T+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]D- + OH- = Fe3ODOH[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]D- + OT- = Fe3ODOH[18O]DOT+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]D- + [18O]H- = Fe3ODOH[18O]D[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]T- + OH- = Fe3ODOH[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]T- + OD- = Fe3ODOH[18O]TOD+5 + 4OH- -Fe3(OH)4+5 + OD- + OH- + [18O]T- + [18O]H- = Fe3ODOH[18O]T[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + OH- + OH- = Fe3ODODOHOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + OH- + OT- = Fe3ODODOHOT+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + OH- + [18O]H- = Fe3ODODOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + OH- + [18O]T- = Fe3ODODOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + OT- + OH- = Fe3ODODOTOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + OT- + [18O]H- = Fe3ODODOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + [18O]H- + OH- = Fe3ODOD[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + [18O]H- + OT- = Fe3ODOD[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + [18O]H- + [18O]H- = Fe3ODOD[18O]H[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OD- + [18O]T- + OH- = Fe3ODOD[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + OH- + OH- = Fe3ODOTOHOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + OH- + OD- = Fe3ODOTOHOD+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + OH- + [18O]H- = Fe3ODOTOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + OH- + [18O]D- = Fe3ODOTOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + OD- + OH- = Fe3ODOTODOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + OD- + [18O]H- = Fe3ODOTOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + [18O]H- + OH- = Fe3ODOT[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + [18O]H- + OD- = Fe3ODOT[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + [18O]H- + [18O]H- = Fe3ODOT[18O]H[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + OT- + [18O]D- + OH- = Fe3ODOT[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OH- + OH- = Fe3OD[18O]HOHOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OH- + OD- = Fe3OD[18O]HOHOD+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OH- + OT- = Fe3OD[18O]HOHOT+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]H- = Fe3OD[18O]HOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]D- = Fe3OD[18O]HOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]T- = Fe3OD[18O]HOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OD- + OH- = Fe3OD[18O]HODOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OD- + OT- = Fe3OD[18O]HODOT+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OD- + [18O]H- = Fe3OD[18O]HOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OT- + OH- = Fe3OD[18O]HOTOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OT- + OD- = Fe3OD[18O]HOTOD+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + OT- + [18O]H- = Fe3OD[18O]HOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OH- = Fe3OD[18O]H[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OD- = Fe3OD[18O]H[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OT- = Fe3OD[18O]H[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + [18O]D- + OH- = Fe3OD[18O]H[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]H- + [18O]T- + OH- = Fe3OD[18O]H[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]D- + OH- + OH- = Fe3OD[18O]DOHOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]D- + OH- + OT- = Fe3OD[18O]DOHOT+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]D- + OH- + [18O]H- = Fe3OD[18O]DOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]D- + OT- + OH- = Fe3OD[18O]DOTOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]D- + [18O]H- + OH- = Fe3OD[18O]D[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]T- + OH- + OH- = Fe3OD[18O]TOHOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]T- + OH- + OD- = Fe3OD[18O]TOHOD+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]T- + OH- + [18O]H- = Fe3OD[18O]TOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]T- + OD- + OH- = Fe3OD[18O]TODOH+5 + 4OH- -Fe3(OH)4+5 + OD- + [18O]T- + [18O]H- + OH- = Fe3OD[18O]T[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + OH- + OH- = Fe3OTOHOHOH+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + OH- + OD- = Fe3OTOHOHOD+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + OH- + [18O]H- = Fe3OTOHOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + OH- + [18O]D- = Fe3OTOHOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + OD- + OH- = Fe3OTOHODOH+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + OD- + OD- = Fe3OTOHODOD+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + OD- + [18O]H- = Fe3OTOHOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + OD- + [18O]D- = Fe3OTOHOD[18O]D+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + [18O]H- + OH- = Fe3OTOH[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + [18O]H- + OD- = Fe3OTOH[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + [18O]H- + [18O]H- = Fe3OTOH[18O]H[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + [18O]H- + [18O]D- = Fe3OTOH[18O]H[18O]D+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + [18O]D- + OH- = Fe3OTOH[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + [18O]D- + OD- = Fe3OTOH[18O]DOD+5 + 4OH- -Fe3(OH)4+5 + OT- + OH- + [18O]D- + [18O]H- = Fe3OTOH[18O]D[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + OH- + OH- = Fe3OTODOHOH+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + OH- + OD- = Fe3OTODOHOD+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + OH- + [18O]H- = Fe3OTODOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + OH- + [18O]D- = Fe3OTODOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + OD- + OH- = Fe3OTODODOH+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + OD- + [18O]H- = Fe3OTODOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + [18O]H- + OH- = Fe3OTOD[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + [18O]H- + OD- = Fe3OTOD[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + [18O]H- + [18O]H- = Fe3OTOD[18O]H[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + OD- + [18O]D- + OH- = Fe3OTOD[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + OH- + OH- = Fe3OT[18O]HOHOH+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + OH- + OD- = Fe3OT[18O]HOHOD+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + OH- + [18O]H- = Fe3OT[18O]HOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + OH- + [18O]D- = Fe3OT[18O]HOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + OD- + OH- = Fe3OT[18O]HODOH+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + OD- + OD- = Fe3OT[18O]HODOD+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + OD- + [18O]H- = Fe3OT[18O]HOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + [18O]H- + OH- = Fe3OT[18O]H[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + [18O]H- + OD- = Fe3OT[18O]H[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]H- + [18O]D- + OH- = Fe3OT[18O]H[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]D- + OH- + OH- = Fe3OT[18O]DOHOH+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]D- + OH- + OD- = Fe3OT[18O]DOHOD+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]D- + OH- + [18O]H- = Fe3OT[18O]DOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]D- + OD- + OH- = Fe3OT[18O]DODOH+5 + 4OH- -Fe3(OH)4+5 + OT- + [18O]D- + [18O]H- + OH- = Fe3OT[18O]D[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OH- + OH- = Fe3[18O]HOHOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OH- + OD- = Fe3[18O]HOHOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OH- + OT- = Fe3[18O]HOHOHOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]H- = Fe3[18O]HOHOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]D- = Fe3[18O]HOHOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]T- = Fe3[18O]HOHOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OD- + OH- = Fe3[18O]HOHODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OD- + OD- = Fe3[18O]HOHODOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OD- + OT- = Fe3[18O]HOHODOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]H- = Fe3[18O]HOHOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]D- = Fe3[18O]HOHOD[18O]D+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]T- = Fe3[18O]HOHOD[18O]T+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OT- + OH- = Fe3[18O]HOHOTOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OT- + OD- = Fe3[18O]HOHOTOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OT- + [18O]H- = Fe3[18O]HOHOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + OT- + [18O]D- = Fe3[18O]HOHOT[18O]D+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OH- = Fe3[18O]HOH[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OD- = Fe3[18O]HOH[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OT- = Fe3[18O]HOH[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OH- = Fe3[18O]HOH[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OD- = Fe3[18O]HOH[18O]DOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OT- = Fe3[18O]HOH[18O]DOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + [18O]T- + OH- = Fe3[18O]HOH[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OH- + [18O]T- + OD- = Fe3[18O]HOH[18O]TOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OH- + OH- = Fe3[18O]HODOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OH- + OD- = Fe3[18O]HODOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OH- + OT- = Fe3[18O]HODOHOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]H- = Fe3[18O]HODOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]D- = Fe3[18O]HODOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]T- = Fe3[18O]HODOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OD- + OH- = Fe3[18O]HODODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OD- + OT- = Fe3[18O]HODODOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OD- + [18O]H- = Fe3[18O]HODOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OT- + OH- = Fe3[18O]HODOTOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OT- + OD- = Fe3[18O]HODOTOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + OT- + [18O]H- = Fe3[18O]HODOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OH- = Fe3[18O]HOD[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OD- = Fe3[18O]HOD[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OT- = Fe3[18O]HOD[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + [18O]D- + OH- = Fe3[18O]HOD[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OD- + [18O]T- + OH- = Fe3[18O]HOD[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + OH- + OH- = Fe3[18O]HOTOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + OH- + OD- = Fe3[18O]HOTOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + OH- + [18O]H- = Fe3[18O]HOTOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + OH- + [18O]D- = Fe3[18O]HOTOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + OD- + OH- = Fe3[18O]HOTODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + OD- + OD- = Fe3[18O]HOTODOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + OD- + [18O]H- = Fe3[18O]HOTOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + [18O]H- + OH- = Fe3[18O]HOT[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + [18O]H- + OD- = Fe3[18O]HOT[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + OT- + [18O]D- + OH- = Fe3[18O]HOT[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OH- = Fe3[18O]H[18O]HOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OD- = Fe3[18O]H[18O]HOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OT- = Fe3[18O]H[18O]HOHOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OH- = Fe3[18O]H[18O]HODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OD- = Fe3[18O]H[18O]HODOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OT- = Fe3[18O]H[18O]HODOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]H- + OT- + OH- = Fe3[18O]H[18O]HOTOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]H- + OT- + OD- = Fe3[18O]H[18O]HOTOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OH- = Fe3[18O]H[18O]DOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OD- = Fe3[18O]H[18O]DOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OT- = Fe3[18O]H[18O]DOHOT+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]D- + OD- + OH- = Fe3[18O]H[18O]DODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]D- + OT- + OH- = Fe3[18O]H[18O]DOTOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]T- + OH- + OH- = Fe3[18O]H[18O]TOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]T- + OH- + OD- = Fe3[18O]H[18O]TOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]H- + [18O]T- + OD- + OH- = Fe3[18O]H[18O]TODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OH- + OH- = Fe3[18O]DOHOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OH- + OD- = Fe3[18O]DOHOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OH- + OT- = Fe3[18O]DOHOHOT+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]H- = Fe3[18O]DOHOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]D- = Fe3[18O]DOHOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]T- = Fe3[18O]DOHOH[18O]T+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OD- + OH- = Fe3[18O]DOHODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OD- + OT- = Fe3[18O]DOHODOT+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OD- + [18O]H- = Fe3[18O]DOHOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OT- + OH- = Fe3[18O]DOHOTOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OT- + OD- = Fe3[18O]DOHOTOD+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + OT- + [18O]H- = Fe3[18O]DOHOT[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OH- = Fe3[18O]DOH[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OD- = Fe3[18O]DOH[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OT- = Fe3[18O]DOH[18O]HOT+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + [18O]D- + OH- = Fe3[18O]DOH[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OH- + [18O]T- + OH- = Fe3[18O]DOH[18O]TOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OD- + OH- + OH- = Fe3[18O]DODOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OD- + OH- + OT- = Fe3[18O]DODOHOT+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OD- + OH- + [18O]H- = Fe3[18O]DODOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OD- + OT- + OH- = Fe3[18O]DODOTOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OD- + [18O]H- + OH- = Fe3[18O]DOD[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OT- + OH- + OH- = Fe3[18O]DOTOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OT- + OH- + OD- = Fe3[18O]DOTOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OT- + OH- + [18O]H- = Fe3[18O]DOTOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OT- + OD- + OH- = Fe3[18O]DOTODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + OT- + [18O]H- + OH- = Fe3[18O]DOT[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OH- = Fe3[18O]D[18O]HOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OD- = Fe3[18O]D[18O]HOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OT- = Fe3[18O]D[18O]HOHOT+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + [18O]H- + OD- + OH- = Fe3[18O]D[18O]HODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + [18O]H- + OT- + OH- = Fe3[18O]D[18O]HOTOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + [18O]D- + OH- + OH- = Fe3[18O]D[18O]DOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]D- + [18O]T- + OH- + OH- = Fe3[18O]D[18O]TOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + OH- + OH- = Fe3[18O]TOHOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + OH- + OD- = Fe3[18O]TOHOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + OH- + [18O]H- = Fe3[18O]TOHOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + OH- + [18O]D- = Fe3[18O]TOHOH[18O]D+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + OD- + OH- = Fe3[18O]TOHODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + OD- + OD- = Fe3[18O]TOHODOD+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + OD- + [18O]H- = Fe3[18O]TOHOD[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + [18O]H- + OH- = Fe3[18O]TOH[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + [18O]H- + OD- = Fe3[18O]TOH[18O]HOD+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OH- + [18O]D- + OH- = Fe3[18O]TOH[18O]DOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OD- + OH- + OH- = Fe3[18O]TODOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OD- + OH- + OD- = Fe3[18O]TODOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OD- + OH- + [18O]H- = Fe3[18O]TODOH[18O]H+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OD- + OD- + OH- = Fe3[18O]TODODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + OD- + [18O]H- + OH- = Fe3[18O]TOD[18O]HOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + [18O]H- + OH- + OH- = Fe3[18O]T[18O]HOHOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + [18O]H- + OH- + OD- = Fe3[18O]T[18O]HOHOD+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + [18O]H- + OD- + OH- = Fe3[18O]T[18O]HODOH+5 + 4OH- -Fe3(OH)4+5 + [18O]T- + [18O]D- + OH- + OH- = Fe3[18O]T[18O]DOHOH+5 + 4OH- +Fe3(OH)4+5 + OH- + OH- + OH- + OD- = Fe3OHOHOHOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OH- + OT- = Fe3OHOHOHOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OH- + [18O]H- = Fe3OHOHOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OH- + [18O]D- = Fe3OHOHOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OH- + [18O]T- = Fe3OHOHOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OD- + OH- = Fe3OHOHODOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OD- + OD- = Fe3OHOHODOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OD- + OT- = Fe3OHOHODOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OD- + [18O]H- = Fe3OHOHOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OD- + [18O]D- = Fe3OHOHOD[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OD- + [18O]T- = Fe3OHOHOD[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OT- + OH- = Fe3OHOHOTOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OT- + OD- = Fe3OHOHOTOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OT- + [18O]H- = Fe3OHOHOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + OT- + [18O]D- = Fe3OHOHOT[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]H- + OH- = Fe3OHOH[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]H- + OD- = Fe3OHOH[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]H- + OT- = Fe3OHOH[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]H- = Fe3OHOH[18O]H[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]D- = Fe3OHOH[18O]H[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]H- + [18O]T- = Fe3OHOH[18O]H[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]D- + OH- = Fe3OHOH[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]D- + OD- = Fe3OHOH[18O]DOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]D- + OT- = Fe3OHOH[18O]DOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]H- = Fe3OHOH[18O]D[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]D- = Fe3OHOH[18O]D[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]D- + [18O]T- = Fe3OHOH[18O]D[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]T- + OH- = Fe3OHOH[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]T- + OD- = Fe3OHOH[18O]TOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]T- + [18O]H- = Fe3OHOH[18O]T[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OH- + [18O]T- + [18O]D- = Fe3OHOH[18O]T[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OH- + OH- = Fe3OHODOHOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OH- + OD- = Fe3OHODOHOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OH- + OT- = Fe3OHODOHOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OH- + [18O]H- = Fe3OHODOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OH- + [18O]D- = Fe3OHODOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OH- + [18O]T- = Fe3OHODOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OD- + OH- = Fe3OHODODOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OD- + OT- = Fe3OHODODOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OD- + [18O]H- = Fe3OHODOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OD- + [18O]T- = Fe3OHODOD[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OT- + OH- = Fe3OHODOTOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OT- + OD- = Fe3OHODOTOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OT- + [18O]H- = Fe3OHODOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + OT- + [18O]D- = Fe3OHODOT[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]H- + OH- = Fe3OHOD[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]H- + OD- = Fe3OHOD[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]H- + OT- = Fe3OHOD[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]H- = Fe3OHOD[18O]H[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]D- = Fe3OHOD[18O]H[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]H- + [18O]T- = Fe3OHOD[18O]H[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]D- + OH- = Fe3OHOD[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]D- + OT- = Fe3OHOD[18O]DOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]D- + [18O]H- = Fe3OHOD[18O]D[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]T- + OH- = Fe3OHOD[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]T- + OD- = Fe3OHOD[18O]TOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OD- + [18O]T- + [18O]H- = Fe3OHOD[18O]T[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + OH- + OH- = Fe3OHOTOHOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + OH- + OD- = Fe3OHOTOHOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + OH- + [18O]H- = Fe3OHOTOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + OH- + [18O]D- = Fe3OHOTOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + OD- + OH- = Fe3OHOTODOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + OD- + OD- = Fe3OHOTODOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + OD- + [18O]H- = Fe3OHOTOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + OD- + [18O]D- = Fe3OHOTOD[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + [18O]H- + OH- = Fe3OHOT[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + [18O]H- + OD- = Fe3OHOT[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + [18O]H- + [18O]H- = Fe3OHOT[18O]H[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + [18O]H- + [18O]D- = Fe3OHOT[18O]H[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + [18O]D- + OH- = Fe3OHOT[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + [18O]D- + OD- = Fe3OHOT[18O]DOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + OT- + [18O]D- + [18O]H- = Fe3OHOT[18O]D[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OH- + OH- = Fe3OH[18O]HOHOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OH- + OD- = Fe3OH[18O]HOHOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OH- + OT- = Fe3OH[18O]HOHOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]H- = Fe3OH[18O]HOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]D- = Fe3OH[18O]HOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OH- + [18O]T- = Fe3OH[18O]HOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OD- + OH- = Fe3OH[18O]HODOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OD- + OD- = Fe3OH[18O]HODOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OD- + OT- = Fe3OH[18O]HODOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]H- = Fe3OH[18O]HOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]D- = Fe3OH[18O]HOD[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OD- + [18O]T- = Fe3OH[18O]HOD[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OT- + OH- = Fe3OH[18O]HOTOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OT- + OD- = Fe3OH[18O]HOTOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OT- + [18O]H- = Fe3OH[18O]HOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + OT- + [18O]D- = Fe3OH[18O]HOT[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OH- = Fe3OH[18O]H[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OD- = Fe3OH[18O]H[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + [18O]H- + OT- = Fe3OH[18O]H[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OH- = Fe3OH[18O]H[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OD- = Fe3OH[18O]H[18O]DOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + [18O]D- + OT- = Fe3OH[18O]H[18O]DOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + [18O]T- + OH- = Fe3OH[18O]H[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]H- + [18O]T- + OD- = Fe3OH[18O]H[18O]TOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OH- + OH- = Fe3OH[18O]DOHOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OH- + OD- = Fe3OH[18O]DOHOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OH- + OT- = Fe3OH[18O]DOHOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]H- = Fe3OH[18O]DOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]D- = Fe3OH[18O]DOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OH- + [18O]T- = Fe3OH[18O]DOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OD- + OH- = Fe3OH[18O]DODOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OD- + OT- = Fe3OH[18O]DODOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OD- + [18O]H- = Fe3OH[18O]DOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OT- + OH- = Fe3OH[18O]DOTOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OT- + OD- = Fe3OH[18O]DOTOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + OT- + [18O]H- = Fe3OH[18O]DOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OH- = Fe3OH[18O]D[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OD- = Fe3OH[18O]D[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + [18O]H- + OT- = Fe3OH[18O]D[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + [18O]D- + OH- = Fe3OH[18O]D[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]D- + [18O]T- + OH- = Fe3OH[18O]D[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + OH- + OH- = Fe3OH[18O]TOHOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + OH- + OD- = Fe3OH[18O]TOHOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + OH- + [18O]H- = Fe3OH[18O]TOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + OH- + [18O]D- = Fe3OH[18O]TOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + OD- + OH- = Fe3OH[18O]TODOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + OD- + OD- = Fe3OH[18O]TODOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + OD- + [18O]H- = Fe3OH[18O]TOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + [18O]H- + OH- = Fe3OH[18O]T[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + [18O]H- + OD- = Fe3OH[18O]T[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OH- + [18O]T- + [18O]D- + OH- = Fe3OH[18O]T[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OH- + OH- = Fe3ODOHOHOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OH- + OD- = Fe3ODOHOHOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OH- + OT- = Fe3ODOHOHOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OH- + [18O]H- = Fe3ODOHOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OH- + [18O]D- = Fe3ODOHOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OH- + [18O]T- = Fe3ODOHOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OD- + OH- = Fe3ODOHODOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OD- + OT- = Fe3ODOHODOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OD- + [18O]H- = Fe3ODOHOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OD- + [18O]T- = Fe3ODOHOD[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OT- + OH- = Fe3ODOHOTOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OT- + OD- = Fe3ODOHOTOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OT- + [18O]H- = Fe3ODOHOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + OT- + [18O]D- = Fe3ODOHOT[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]H- + OH- = Fe3ODOH[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]H- + OD- = Fe3ODOH[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]H- + OT- = Fe3ODOH[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]H- = Fe3ODOH[18O]H[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]D- = Fe3ODOH[18O]H[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]H- + [18O]T- = Fe3ODOH[18O]H[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]D- + OH- = Fe3ODOH[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]D- + OT- = Fe3ODOH[18O]DOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]D- + [18O]H- = Fe3ODOH[18O]D[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]T- + OH- = Fe3ODOH[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]T- + OD- = Fe3ODOH[18O]TOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + OH- + [18O]T- + [18O]H- = Fe3ODOH[18O]T[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + OH- + OH- = Fe3ODODOHOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + OH- + OT- = Fe3ODODOHOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + OH- + [18O]H- = Fe3ODODOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + OH- + [18O]T- = Fe3ODODOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + OT- + OH- = Fe3ODODOTOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + OT- + [18O]H- = Fe3ODODOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + [18O]H- + OH- = Fe3ODOD[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + [18O]H- + OT- = Fe3ODOD[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + [18O]H- + [18O]H- = Fe3ODOD[18O]H[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OD- + [18O]T- + OH- = Fe3ODOD[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + OH- + OH- = Fe3ODOTOHOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + OH- + OD- = Fe3ODOTOHOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + OH- + [18O]H- = Fe3ODOTOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + OH- + [18O]D- = Fe3ODOTOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + OD- + OH- = Fe3ODOTODOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + OD- + [18O]H- = Fe3ODOTOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + [18O]H- + OH- = Fe3ODOT[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + [18O]H- + OD- = Fe3ODOT[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + [18O]H- + [18O]H- = Fe3ODOT[18O]H[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + OT- + [18O]D- + OH- = Fe3ODOT[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OH- + OH- = Fe3OD[18O]HOHOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OH- + OD- = Fe3OD[18O]HOHOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OH- + OT- = Fe3OD[18O]HOHOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]H- = Fe3OD[18O]HOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]D- = Fe3OD[18O]HOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OH- + [18O]T- = Fe3OD[18O]HOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OD- + OH- = Fe3OD[18O]HODOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OD- + OT- = Fe3OD[18O]HODOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OD- + [18O]H- = Fe3OD[18O]HOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OT- + OH- = Fe3OD[18O]HOTOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OT- + OD- = Fe3OD[18O]HOTOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + OT- + [18O]H- = Fe3OD[18O]HOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OH- = Fe3OD[18O]H[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OD- = Fe3OD[18O]H[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + [18O]H- + OT- = Fe3OD[18O]H[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + [18O]D- + OH- = Fe3OD[18O]H[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]H- + [18O]T- + OH- = Fe3OD[18O]H[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]D- + OH- + OH- = Fe3OD[18O]DOHOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]D- + OH- + OT- = Fe3OD[18O]DOHOT+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]D- + OH- + [18O]H- = Fe3OD[18O]DOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]D- + OT- + OH- = Fe3OD[18O]DOTOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]D- + [18O]H- + OH- = Fe3OD[18O]D[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]T- + OH- + OH- = Fe3OD[18O]TOHOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]T- + OH- + OD- = Fe3OD[18O]TOHOD+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]T- + OH- + [18O]H- = Fe3OD[18O]TOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]T- + OD- + OH- = Fe3OD[18O]TODOH+5 + 4 OH- +Fe3(OH)4+5 + OD- + [18O]T- + [18O]H- + OH- = Fe3OD[18O]T[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + OH- + OH- = Fe3OTOHOHOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + OH- + OD- = Fe3OTOHOHOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + OH- + [18O]H- = Fe3OTOHOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + OH- + [18O]D- = Fe3OTOHOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + OD- + OH- = Fe3OTOHODOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + OD- + OD- = Fe3OTOHODOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + OD- + [18O]H- = Fe3OTOHOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + OD- + [18O]D- = Fe3OTOHOD[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + [18O]H- + OH- = Fe3OTOH[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + [18O]H- + OD- = Fe3OTOH[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + [18O]H- + [18O]H- = Fe3OTOH[18O]H[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + [18O]H- + [18O]D- = Fe3OTOH[18O]H[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + [18O]D- + OH- = Fe3OTOH[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + [18O]D- + OD- = Fe3OTOH[18O]DOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + OH- + [18O]D- + [18O]H- = Fe3OTOH[18O]D[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + OH- + OH- = Fe3OTODOHOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + OH- + OD- = Fe3OTODOHOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + OH- + [18O]H- = Fe3OTODOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + OH- + [18O]D- = Fe3OTODOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + OD- + OH- = Fe3OTODODOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + OD- + [18O]H- = Fe3OTODOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + [18O]H- + OH- = Fe3OTOD[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + [18O]H- + OD- = Fe3OTOD[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + [18O]H- + [18O]H- = Fe3OTOD[18O]H[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + OD- + [18O]D- + OH- = Fe3OTOD[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + OH- + OH- = Fe3OT[18O]HOHOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + OH- + OD- = Fe3OT[18O]HOHOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + OH- + [18O]H- = Fe3OT[18O]HOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + OH- + [18O]D- = Fe3OT[18O]HOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + OD- + OH- = Fe3OT[18O]HODOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + OD- + OD- = Fe3OT[18O]HODOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + OD- + [18O]H- = Fe3OT[18O]HOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + [18O]H- + OH- = Fe3OT[18O]H[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + [18O]H- + OD- = Fe3OT[18O]H[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]H- + [18O]D- + OH- = Fe3OT[18O]H[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]D- + OH- + OH- = Fe3OT[18O]DOHOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]D- + OH- + OD- = Fe3OT[18O]DOHOD+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]D- + OH- + [18O]H- = Fe3OT[18O]DOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]D- + OD- + OH- = Fe3OT[18O]DODOH+5 + 4 OH- +Fe3(OH)4+5 + OT- + [18O]D- + [18O]H- + OH- = Fe3OT[18O]D[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OH- + OH- = Fe3[18O]HOHOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OH- + OD- = Fe3[18O]HOHOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OH- + OT- = Fe3[18O]HOHOHOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]H- = Fe3[18O]HOHOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]D- = Fe3[18O]HOHOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OH- + [18O]T- = Fe3[18O]HOHOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OD- + OH- = Fe3[18O]HOHODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OD- + OD- = Fe3[18O]HOHODOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OD- + OT- = Fe3[18O]HOHODOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]H- = Fe3[18O]HOHOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]D- = Fe3[18O]HOHOD[18O]D+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OD- + [18O]T- = Fe3[18O]HOHOD[18O]T+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OT- + OH- = Fe3[18O]HOHOTOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OT- + OD- = Fe3[18O]HOHOTOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OT- + [18O]H- = Fe3[18O]HOHOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + OT- + [18O]D- = Fe3[18O]HOHOT[18O]D+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OH- = Fe3[18O]HOH[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OD- = Fe3[18O]HOH[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + [18O]H- + OT- = Fe3[18O]HOH[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OH- = Fe3[18O]HOH[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OD- = Fe3[18O]HOH[18O]DOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + [18O]D- + OT- = Fe3[18O]HOH[18O]DOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + [18O]T- + OH- = Fe3[18O]HOH[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OH- + [18O]T- + OD- = Fe3[18O]HOH[18O]TOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OH- + OH- = Fe3[18O]HODOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OH- + OD- = Fe3[18O]HODOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OH- + OT- = Fe3[18O]HODOHOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]H- = Fe3[18O]HODOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]D- = Fe3[18O]HODOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OH- + [18O]T- = Fe3[18O]HODOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OD- + OH- = Fe3[18O]HODODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OD- + OT- = Fe3[18O]HODODOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OD- + [18O]H- = Fe3[18O]HODOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OT- + OH- = Fe3[18O]HODOTOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OT- + OD- = Fe3[18O]HODOTOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + OT- + [18O]H- = Fe3[18O]HODOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OH- = Fe3[18O]HOD[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OD- = Fe3[18O]HOD[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + [18O]H- + OT- = Fe3[18O]HOD[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + [18O]D- + OH- = Fe3[18O]HOD[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OD- + [18O]T- + OH- = Fe3[18O]HOD[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + OH- + OH- = Fe3[18O]HOTOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + OH- + OD- = Fe3[18O]HOTOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + OH- + [18O]H- = Fe3[18O]HOTOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + OH- + [18O]D- = Fe3[18O]HOTOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + OD- + OH- = Fe3[18O]HOTODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + OD- + OD- = Fe3[18O]HOTODOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + OD- + [18O]H- = Fe3[18O]HOTOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + [18O]H- + OH- = Fe3[18O]HOT[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + [18O]H- + OD- = Fe3[18O]HOT[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + OT- + [18O]D- + OH- = Fe3[18O]HOT[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OH- = Fe3[18O]H[18O]HOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OD- = Fe3[18O]H[18O]HOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]H- + OH- + OT- = Fe3[18O]H[18O]HOHOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OH- = Fe3[18O]H[18O]HODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OD- = Fe3[18O]H[18O]HODOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]H- + OD- + OT- = Fe3[18O]H[18O]HODOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]H- + OT- + OH- = Fe3[18O]H[18O]HOTOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]H- + OT- + OD- = Fe3[18O]H[18O]HOTOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OH- = Fe3[18O]H[18O]DOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OD- = Fe3[18O]H[18O]DOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]D- + OH- + OT- = Fe3[18O]H[18O]DOHOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]D- + OD- + OH- = Fe3[18O]H[18O]DODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]D- + OT- + OH- = Fe3[18O]H[18O]DOTOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]T- + OH- + OH- = Fe3[18O]H[18O]TOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]T- + OH- + OD- = Fe3[18O]H[18O]TOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]H- + [18O]T- + OD- + OH- = Fe3[18O]H[18O]TODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OH- + OH- = Fe3[18O]DOHOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OH- + OD- = Fe3[18O]DOHOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OH- + OT- = Fe3[18O]DOHOHOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]H- = Fe3[18O]DOHOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]D- = Fe3[18O]DOHOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OH- + [18O]T- = Fe3[18O]DOHOH[18O]T+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OD- + OH- = Fe3[18O]DOHODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OD- + OT- = Fe3[18O]DOHODOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OD- + [18O]H- = Fe3[18O]DOHOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OT- + OH- = Fe3[18O]DOHOTOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OT- + OD- = Fe3[18O]DOHOTOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + OT- + [18O]H- = Fe3[18O]DOHOT[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OH- = Fe3[18O]DOH[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OD- = Fe3[18O]DOH[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + [18O]H- + OT- = Fe3[18O]DOH[18O]HOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + [18O]D- + OH- = Fe3[18O]DOH[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OH- + [18O]T- + OH- = Fe3[18O]DOH[18O]TOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OD- + OH- + OH- = Fe3[18O]DODOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OD- + OH- + OT- = Fe3[18O]DODOHOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OD- + OH- + [18O]H- = Fe3[18O]DODOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OD- + OT- + OH- = Fe3[18O]DODOTOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OD- + [18O]H- + OH- = Fe3[18O]DOD[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OT- + OH- + OH- = Fe3[18O]DOTOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OT- + OH- + OD- = Fe3[18O]DOTOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OT- + OH- + [18O]H- = Fe3[18O]DOTOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OT- + OD- + OH- = Fe3[18O]DOTODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + OT- + [18O]H- + OH- = Fe3[18O]DOT[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OH- = Fe3[18O]D[18O]HOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OD- = Fe3[18O]D[18O]HOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + [18O]H- + OH- + OT- = Fe3[18O]D[18O]HOHOT+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + [18O]H- + OD- + OH- = Fe3[18O]D[18O]HODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + [18O]H- + OT- + OH- = Fe3[18O]D[18O]HOTOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + [18O]D- + OH- + OH- = Fe3[18O]D[18O]DOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]D- + [18O]T- + OH- + OH- = Fe3[18O]D[18O]TOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + OH- + OH- = Fe3[18O]TOHOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + OH- + OD- = Fe3[18O]TOHOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + OH- + [18O]H- = Fe3[18O]TOHOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + OH- + [18O]D- = Fe3[18O]TOHOH[18O]D+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + OD- + OH- = Fe3[18O]TOHODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + OD- + OD- = Fe3[18O]TOHODOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + OD- + [18O]H- = Fe3[18O]TOHOD[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + [18O]H- + OH- = Fe3[18O]TOH[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + [18O]H- + OD- = Fe3[18O]TOH[18O]HOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OH- + [18O]D- + OH- = Fe3[18O]TOH[18O]DOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OD- + OH- + OH- = Fe3[18O]TODOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OD- + OH- + OD- = Fe3[18O]TODOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OD- + OH- + [18O]H- = Fe3[18O]TODOH[18O]H+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OD- + OD- + OH- = Fe3[18O]TODODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + OD- + [18O]H- + OH- = Fe3[18O]TOD[18O]HOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + [18O]H- + OH- + OH- = Fe3[18O]T[18O]HOHOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + [18O]H- + OH- + OD- = Fe3[18O]T[18O]HOHOD+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + [18O]H- + OD- + OH- = Fe3[18O]T[18O]HODOH+5 + 4 OH- +Fe3(OH)4+5 + [18O]T- + [18O]D- + OH- + OH- = Fe3[18O]T[18O]DOHOH+5 + 4 OH- # # Added FeSO4+ reactions 16Dec09 # @@ -6210,9 +6214,9 @@ FeHSO4+2 + T[34S]O4- = FeT[34S]O4+2 + HSO4- # Added Fe(SO4)2- reactions 16Dec09 # Revised 17Dec09 # -Fe(SO4)2- + SO4-2 + [34S]O4-2 = FeSO4[34S]O4- + 2SO4-2 -Fe(SO4)2- + [34S]O4-2 + SO4-2 = Fe[34S]O4SO4- + 2SO4-2 -Fe(SO4)2- + [34S]O4-2 + [34S]O4-2 = Fe[34S]O4[34S]O4- + 2SO4-2 +Fe(SO4)2- + SO4-2 + [34S]O4-2 = FeSO4[34S]O4- + 2 SO4-2 +Fe(SO4)2- + [34S]O4-2 + SO4-2 = Fe[34S]O4SO4- + 2 SO4-2 +Fe(SO4)2- + [34S]O4-2 + [34S]O4-2 = Fe[34S]O4[34S]O4- + 2 SO4-2 # # Missing FeHPO4+ reactions # @@ -6231,524 +6235,524 @@ AlOH+2 + [18O]T- = Al[18O]T+2 + OH- # Added Al(OH)2+ reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Al(OH)2+ + OH- + OD- = AlOHOD+ + 2OH- -Al(OH)2+ + OH- + OT- = AlOHOT+ + 2OH- -Al(OH)2+ + OH- + [18O]H- = AlOH[18O]H+ + 2OH- -Al(OH)2+ + OH- + [18O]D- = AlOH[18O]D+ + 2OH- -Al(OH)2+ + OH- + [18O]T- = AlOH[18O]T+ + 2OH- -Al(OH)2+ + OD- + OH- = AlODOH+ + 2OH- -Al(OH)2+ + OD- + OD- = AlODOD+ + 2OH- -Al(OH)2+ + OD- + OT- = AlODOT+ + 2OH- -Al(OH)2+ + OD- + [18O]H- = AlOD[18O]H+ + 2OH- -Al(OH)2+ + OD- + [18O]D- = AlOD[18O]D+ + 2OH- -Al(OH)2+ + OD- + [18O]T- = AlOD[18O]T+ + 2OH- -Al(OH)2+ + OT- + OH- = AlOTOH+ + 2OH- -Al(OH)2+ + OT- + OD- = AlOTOD+ + 2OH- -Al(OH)2+ + OT- + [18O]H- = AlOT[18O]H+ + 2OH- -Al(OH)2+ + OT- + [18O]D- = AlOT[18O]D+ + 2OH- -Al(OH)2+ + [18O]H- + OH- = Al[18O]HOH+ + 2OH- -Al(OH)2+ + [18O]H- + OD- = Al[18O]HOD+ + 2OH- -Al(OH)2+ + [18O]H- + OT- = Al[18O]HOT+ + 2OH- -Al(OH)2+ + [18O]H- + [18O]H- = Al[18O]H[18O]H+ + 2OH- -Al(OH)2+ + [18O]H- + [18O]D- = Al[18O]H[18O]D+ + 2OH- -Al(OH)2+ + [18O]H- + [18O]T- = Al[18O]H[18O]T+ + 2OH- -Al(OH)2+ + [18O]D- + OH- = Al[18O]DOH+ + 2OH- -Al(OH)2+ + [18O]D- + OD- = Al[18O]DOD+ + 2OH- -Al(OH)2+ + [18O]D- + OT- = Al[18O]DOT+ + 2OH- -Al(OH)2+ + [18O]D- + [18O]H- = Al[18O]D[18O]H+ + 2OH- -Al(OH)2+ + [18O]D- + [18O]D- = Al[18O]D[18O]D+ + 2OH- -Al(OH)2+ + [18O]D- + [18O]T- = Al[18O]D[18O]T+ + 2OH- -Al(OH)2+ + [18O]T- + OH- = Al[18O]TOH+ + 2OH- -Al(OH)2+ + [18O]T- + OD- = Al[18O]TOD+ + 2OH- -Al(OH)2+ + [18O]T- + [18O]H- = Al[18O]T[18O]H+ + 2OH- -Al(OH)2+ + [18O]T- + [18O]D- = Al[18O]T[18O]D+ + 2OH- +Al(OH)2+ + OH- + OD- = AlOHOD+ + 2 OH- +Al(OH)2+ + OH- + OT- = AlOHOT+ + 2 OH- +Al(OH)2+ + OH- + [18O]H- = AlOH[18O]H+ + 2 OH- +Al(OH)2+ + OH- + [18O]D- = AlOH[18O]D+ + 2 OH- +Al(OH)2+ + OH- + [18O]T- = AlOH[18O]T+ + 2 OH- +Al(OH)2+ + OD- + OH- = AlODOH+ + 2 OH- +Al(OH)2+ + OD- + OD- = AlODOD+ + 2 OH- +Al(OH)2+ + OD- + OT- = AlODOT+ + 2 OH- +Al(OH)2+ + OD- + [18O]H- = AlOD[18O]H+ + 2 OH- +Al(OH)2+ + OD- + [18O]D- = AlOD[18O]D+ + 2 OH- +Al(OH)2+ + OD- + [18O]T- = AlOD[18O]T+ + 2 OH- +Al(OH)2+ + OT- + OH- = AlOTOH+ + 2 OH- +Al(OH)2+ + OT- + OD- = AlOTOD+ + 2 OH- +Al(OH)2+ + OT- + [18O]H- = AlOT[18O]H+ + 2 OH- +Al(OH)2+ + OT- + [18O]D- = AlOT[18O]D+ + 2 OH- +Al(OH)2+ + [18O]H- + OH- = Al[18O]HOH+ + 2 OH- +Al(OH)2+ + [18O]H- + OD- = Al[18O]HOD+ + 2 OH- +Al(OH)2+ + [18O]H- + OT- = Al[18O]HOT+ + 2 OH- +Al(OH)2+ + [18O]H- + [18O]H- = Al[18O]H[18O]H+ + 2 OH- +Al(OH)2+ + [18O]H- + [18O]D- = Al[18O]H[18O]D+ + 2 OH- +Al(OH)2+ + [18O]H- + [18O]T- = Al[18O]H[18O]T+ + 2 OH- +Al(OH)2+ + [18O]D- + OH- = Al[18O]DOH+ + 2 OH- +Al(OH)2+ + [18O]D- + OD- = Al[18O]DOD+ + 2 OH- +Al(OH)2+ + [18O]D- + OT- = Al[18O]DOT+ + 2 OH- +Al(OH)2+ + [18O]D- + [18O]H- = Al[18O]D[18O]H+ + 2 OH- +Al(OH)2+ + [18O]D- + [18O]D- = Al[18O]D[18O]D+ + 2 OH- +Al(OH)2+ + [18O]D- + [18O]T- = Al[18O]D[18O]T+ + 2 OH- +Al(OH)2+ + [18O]T- + OH- = Al[18O]TOH+ + 2 OH- +Al(OH)2+ + [18O]T- + OD- = Al[18O]TOD+ + 2 OH- +Al(OH)2+ + [18O]T- + [18O]H- = Al[18O]T[18O]H+ + 2 OH- +Al(OH)2+ + [18O]T- + [18O]D- = Al[18O]T[18O]D+ + 2 OH- # # Added Al(OH)3 reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Al(OH)3 + OH- + OH- + OD- = AlOHOHOD + 3OH- -Al(OH)3 + OH- + OH- + OT- = AlOHOHOT + 3OH- -Al(OH)3 + OH- + OH- + [18O]H- = AlOHOH[18O]H + 3OH- -Al(OH)3 + OH- + OH- + [18O]D- = AlOHOH[18O]D + 3OH- -Al(OH)3 + OH- + OH- + [18O]T- = AlOHOH[18O]T + 3OH- -Al(OH)3 + OH- + OD- + OH- = AlOHODOH + 3OH- -Al(OH)3 + OH- + OD- + OD- = AlOHODOD + 3OH- -Al(OH)3 + OH- + OD- + OT- = AlOHODOT + 3OH- -Al(OH)3 + OH- + OD- + [18O]H- = AlOHOD[18O]H + 3OH- -Al(OH)3 + OH- + OD- + [18O]D- = AlOHOD[18O]D + 3OH- -Al(OH)3 + OH- + OD- + [18O]T- = AlOHOD[18O]T + 3OH- -Al(OH)3 + OH- + OT- + OH- = AlOHOTOH + 3OH- -Al(OH)3 + OH- + OT- + OD- = AlOHOTOD + 3OH- -Al(OH)3 + OH- + OT- + [18O]H- = AlOHOT[18O]H + 3OH- -Al(OH)3 + OH- + OT- + [18O]D- = AlOHOT[18O]D + 3OH- -Al(OH)3 + OH- + [18O]H- + OH- = AlOH[18O]HOH + 3OH- -Al(OH)3 + OH- + [18O]H- + OD- = AlOH[18O]HOD + 3OH- -Al(OH)3 + OH- + [18O]H- + OT- = AlOH[18O]HOT + 3OH- -Al(OH)3 + OH- + [18O]H- + [18O]H- = AlOH[18O]H[18O]H + 3OH- -Al(OH)3 + OH- + [18O]H- + [18O]D- = AlOH[18O]H[18O]D + 3OH- -Al(OH)3 + OH- + [18O]H- + [18O]T- = AlOH[18O]H[18O]T + 3OH- -Al(OH)3 + OH- + [18O]D- + OH- = AlOH[18O]DOH + 3OH- -Al(OH)3 + OH- + [18O]D- + OD- = AlOH[18O]DOD + 3OH- -Al(OH)3 + OH- + [18O]D- + OT- = AlOH[18O]DOT + 3OH- -Al(OH)3 + OH- + [18O]D- + [18O]H- = AlOH[18O]D[18O]H + 3OH- -Al(OH)3 + OH- + [18O]D- + [18O]D- = AlOH[18O]D[18O]D + 3OH- -Al(OH)3 + OH- + [18O]D- + [18O]T- = AlOH[18O]D[18O]T + 3OH- -Al(OH)3 + OH- + [18O]T- + OH- = AlOH[18O]TOH + 3OH- -Al(OH)3 + OH- + [18O]T- + OD- = AlOH[18O]TOD + 3OH- -Al(OH)3 + OH- + [18O]T- + [18O]H- = AlOH[18O]T[18O]H + 3OH- -Al(OH)3 + OH- + [18O]T- + [18O]D- = AlOH[18O]T[18O]D + 3OH- -Al(OH)3 + OD- + OH- + OH- = AlODOHOH + 3OH- -Al(OH)3 + OD- + OH- + OD- = AlODOHOD + 3OH- -Al(OH)3 + OD- + OH- + OT- = AlODOHOT + 3OH- -Al(OH)3 + OD- + OH- + [18O]H- = AlODOH[18O]H + 3OH- -Al(OH)3 + OD- + OH- + [18O]D- = AlODOH[18O]D + 3OH- -Al(OH)3 + OD- + OH- + [18O]T- = AlODOH[18O]T + 3OH- -Al(OH)3 + OD- + OD- + OH- = AlODODOH + 3OH- -Al(OH)3 + OD- + OD- + OT- = AlODODOT + 3OH- -Al(OH)3 + OD- + OD- + [18O]H- = AlODOD[18O]H + 3OH- -Al(OH)3 + OD- + OD- + [18O]T- = AlODOD[18O]T + 3OH- -Al(OH)3 + OD- + OT- + OH- = AlODOTOH + 3OH- -Al(OH)3 + OD- + OT- + OD- = AlODOTOD + 3OH- -Al(OH)3 + OD- + OT- + [18O]H- = AlODOT[18O]H + 3OH- -Al(OH)3 + OD- + OT- + [18O]D- = AlODOT[18O]D + 3OH- -Al(OH)3 + OD- + [18O]H- + OH- = AlOD[18O]HOH + 3OH- -Al(OH)3 + OD- + [18O]H- + OD- = AlOD[18O]HOD + 3OH- -Al(OH)3 + OD- + [18O]H- + OT- = AlOD[18O]HOT + 3OH- -Al(OH)3 + OD- + [18O]H- + [18O]H- = AlOD[18O]H[18O]H + 3OH- -Al(OH)3 + OD- + [18O]H- + [18O]D- = AlOD[18O]H[18O]D + 3OH- -Al(OH)3 + OD- + [18O]H- + [18O]T- = AlOD[18O]H[18O]T + 3OH- -Al(OH)3 + OD- + [18O]D- + OH- = AlOD[18O]DOH + 3OH- -Al(OH)3 + OD- + [18O]D- + OT- = AlOD[18O]DOT + 3OH- -Al(OH)3 + OD- + [18O]D- + [18O]H- = AlOD[18O]D[18O]H + 3OH- -Al(OH)3 + OD- + [18O]T- + OH- = AlOD[18O]TOH + 3OH- -Al(OH)3 + OD- + [18O]T- + OD- = AlOD[18O]TOD + 3OH- -Al(OH)3 + OD- + [18O]T- + [18O]H- = AlOD[18O]T[18O]H + 3OH- -Al(OH)3 + OT- + OH- + OH- = AlOTOHOH + 3OH- -Al(OH)3 + OT- + OH- + OD- = AlOTOHOD + 3OH- -Al(OH)3 + OT- + OH- + [18O]H- = AlOTOH[18O]H + 3OH- -Al(OH)3 + OT- + OH- + [18O]D- = AlOTOH[18O]D + 3OH- -Al(OH)3 + OT- + OD- + OH- = AlOTODOH + 3OH- -Al(OH)3 + OT- + OD- + OD- = AlOTODOD + 3OH- -Al(OH)3 + OT- + OD- + [18O]H- = AlOTOD[18O]H + 3OH- -Al(OH)3 + OT- + OD- + [18O]D- = AlOTOD[18O]D + 3OH- -Al(OH)3 + OT- + [18O]H- + OH- = AlOT[18O]HOH + 3OH- -Al(OH)3 + OT- + [18O]H- + OD- = AlOT[18O]HOD + 3OH- -Al(OH)3 + OT- + [18O]H- + [18O]H- = AlOT[18O]H[18O]H + 3OH- -Al(OH)3 + OT- + [18O]H- + [18O]D- = AlOT[18O]H[18O]D + 3OH- -Al(OH)3 + OT- + [18O]D- + OH- = AlOT[18O]DOH + 3OH- -Al(OH)3 + OT- + [18O]D- + OD- = AlOT[18O]DOD + 3OH- -Al(OH)3 + OT- + [18O]D- + [18O]H- = AlOT[18O]D[18O]H + 3OH- -Al(OH)3 + [18O]H- + OH- + OH- = Al[18O]HOHOH + 3OH- -Al(OH)3 + [18O]H- + OH- + OD- = Al[18O]HOHOD + 3OH- -Al(OH)3 + [18O]H- + OH- + OT- = Al[18O]HOHOT + 3OH- -Al(OH)3 + [18O]H- + OH- + [18O]H- = Al[18O]HOH[18O]H + 3OH- -Al(OH)3 + [18O]H- + OH- + [18O]D- = Al[18O]HOH[18O]D + 3OH- -Al(OH)3 + [18O]H- + OH- + [18O]T- = Al[18O]HOH[18O]T + 3OH- -Al(OH)3 + [18O]H- + OD- + OH- = Al[18O]HODOH + 3OH- -Al(OH)3 + [18O]H- + OD- + OD- = Al[18O]HODOD + 3OH- -Al(OH)3 + [18O]H- + OD- + OT- = Al[18O]HODOT + 3OH- -Al(OH)3 + [18O]H- + OD- + [18O]H- = Al[18O]HOD[18O]H + 3OH- -Al(OH)3 + [18O]H- + OD- + [18O]D- = Al[18O]HOD[18O]D + 3OH- -Al(OH)3 + [18O]H- + OD- + [18O]T- = Al[18O]HOD[18O]T + 3OH- -Al(OH)3 + [18O]H- + OT- + OH- = Al[18O]HOTOH + 3OH- -Al(OH)3 + [18O]H- + OT- + OD- = Al[18O]HOTOD + 3OH- -Al(OH)3 + [18O]H- + OT- + [18O]H- = Al[18O]HOT[18O]H + 3OH- -Al(OH)3 + [18O]H- + OT- + [18O]D- = Al[18O]HOT[18O]D + 3OH- -Al(OH)3 + [18O]H- + [18O]H- + OH- = Al[18O]H[18O]HOH + 3OH- -Al(OH)3 + [18O]H- + [18O]H- + OD- = Al[18O]H[18O]HOD + 3OH- -Al(OH)3 + [18O]H- + [18O]H- + OT- = Al[18O]H[18O]HOT + 3OH- -Al(OH)3 + [18O]H- + [18O]D- + OH- = Al[18O]H[18O]DOH + 3OH- -Al(OH)3 + [18O]H- + [18O]D- + OD- = Al[18O]H[18O]DOD + 3OH- -Al(OH)3 + [18O]H- + [18O]D- + OT- = Al[18O]H[18O]DOT + 3OH- -Al(OH)3 + [18O]H- + [18O]T- + OH- = Al[18O]H[18O]TOH + 3OH- -Al(OH)3 + [18O]H- + [18O]T- + OD- = Al[18O]H[18O]TOD + 3OH- -Al(OH)3 + [18O]D- + OH- + OH- = Al[18O]DOHOH + 3OH- -Al(OH)3 + [18O]D- + OH- + OD- = Al[18O]DOHOD + 3OH- -Al(OH)3 + [18O]D- + OH- + OT- = Al[18O]DOHOT + 3OH- -Al(OH)3 + [18O]D- + OH- + [18O]H- = Al[18O]DOH[18O]H + 3OH- -Al(OH)3 + [18O]D- + OH- + [18O]D- = Al[18O]DOH[18O]D + 3OH- -Al(OH)3 + [18O]D- + OH- + [18O]T- = Al[18O]DOH[18O]T + 3OH- -Al(OH)3 + [18O]D- + OD- + OH- = Al[18O]DODOH + 3OH- -Al(OH)3 + [18O]D- + OD- + OT- = Al[18O]DODOT + 3OH- -Al(OH)3 + [18O]D- + OD- + [18O]H- = Al[18O]DOD[18O]H + 3OH- -Al(OH)3 + [18O]D- + OT- + OH- = Al[18O]DOTOH + 3OH- -Al(OH)3 + [18O]D- + OT- + OD- = Al[18O]DOTOD + 3OH- -Al(OH)3 + [18O]D- + OT- + [18O]H- = Al[18O]DOT[18O]H + 3OH- -Al(OH)3 + [18O]D- + [18O]H- + OH- = Al[18O]D[18O]HOH + 3OH- -Al(OH)3 + [18O]D- + [18O]H- + OD- = Al[18O]D[18O]HOD + 3OH- -Al(OH)3 + [18O]D- + [18O]H- + OT- = Al[18O]D[18O]HOT + 3OH- -Al(OH)3 + [18O]D- + [18O]D- + OH- = Al[18O]D[18O]DOH + 3OH- -Al(OH)3 + [18O]D- + [18O]T- + OH- = Al[18O]D[18O]TOH + 3OH- -Al(OH)3 + [18O]T- + OH- + OH- = Al[18O]TOHOH + 3OH- -Al(OH)3 + [18O]T- + OH- + OD- = Al[18O]TOHOD + 3OH- -Al(OH)3 + [18O]T- + OH- + [18O]H- = Al[18O]TOH[18O]H + 3OH- -Al(OH)3 + [18O]T- + OH- + [18O]D- = Al[18O]TOH[18O]D + 3OH- -Al(OH)3 + [18O]T- + OD- + OH- = Al[18O]TODOH + 3OH- -Al(OH)3 + [18O]T- + OD- + OD- = Al[18O]TODOD + 3OH- -Al(OH)3 + [18O]T- + OD- + [18O]H- = Al[18O]TOD[18O]H + 3OH- -Al(OH)3 + [18O]T- + [18O]H- + OH- = Al[18O]T[18O]HOH + 3OH- -Al(OH)3 + [18O]T- + [18O]H- + OD- = Al[18O]T[18O]HOD + 3OH- -Al(OH)3 + [18O]T- + [18O]D- + OH- = Al[18O]T[18O]DOH + 3OH- +Al(OH)3 + OH- + OH- + OD- = AlOHOHOD + 3 OH- +Al(OH)3 + OH- + OH- + OT- = AlOHOHOT + 3 OH- +Al(OH)3 + OH- + OH- + [18O]H- = AlOHOH[18O]H + 3 OH- +Al(OH)3 + OH- + OH- + [18O]D- = AlOHOH[18O]D + 3 OH- +Al(OH)3 + OH- + OH- + [18O]T- = AlOHOH[18O]T + 3 OH- +Al(OH)3 + OH- + OD- + OH- = AlOHODOH + 3 OH- +Al(OH)3 + OH- + OD- + OD- = AlOHODOD + 3 OH- +Al(OH)3 + OH- + OD- + OT- = AlOHODOT + 3 OH- +Al(OH)3 + OH- + OD- + [18O]H- = AlOHOD[18O]H + 3 OH- +Al(OH)3 + OH- + OD- + [18O]D- = AlOHOD[18O]D + 3 OH- +Al(OH)3 + OH- + OD- + [18O]T- = AlOHOD[18O]T + 3 OH- +Al(OH)3 + OH- + OT- + OH- = AlOHOTOH + 3 OH- +Al(OH)3 + OH- + OT- + OD- = AlOHOTOD + 3 OH- +Al(OH)3 + OH- + OT- + [18O]H- = AlOHOT[18O]H + 3 OH- +Al(OH)3 + OH- + OT- + [18O]D- = AlOHOT[18O]D + 3 OH- +Al(OH)3 + OH- + [18O]H- + OH- = AlOH[18O]HOH + 3 OH- +Al(OH)3 + OH- + [18O]H- + OD- = AlOH[18O]HOD + 3 OH- +Al(OH)3 + OH- + [18O]H- + OT- = AlOH[18O]HOT + 3 OH- +Al(OH)3 + OH- + [18O]H- + [18O]H- = AlOH[18O]H[18O]H + 3 OH- +Al(OH)3 + OH- + [18O]H- + [18O]D- = AlOH[18O]H[18O]D + 3 OH- +Al(OH)3 + OH- + [18O]H- + [18O]T- = AlOH[18O]H[18O]T + 3 OH- +Al(OH)3 + OH- + [18O]D- + OH- = AlOH[18O]DOH + 3 OH- +Al(OH)3 + OH- + [18O]D- + OD- = AlOH[18O]DOD + 3 OH- +Al(OH)3 + OH- + [18O]D- + OT- = AlOH[18O]DOT + 3 OH- +Al(OH)3 + OH- + [18O]D- + [18O]H- = AlOH[18O]D[18O]H + 3 OH- +Al(OH)3 + OH- + [18O]D- + [18O]D- = AlOH[18O]D[18O]D + 3 OH- +Al(OH)3 + OH- + [18O]D- + [18O]T- = AlOH[18O]D[18O]T + 3 OH- +Al(OH)3 + OH- + [18O]T- + OH- = AlOH[18O]TOH + 3 OH- +Al(OH)3 + OH- + [18O]T- + OD- = AlOH[18O]TOD + 3 OH- +Al(OH)3 + OH- + [18O]T- + [18O]H- = AlOH[18O]T[18O]H + 3 OH- +Al(OH)3 + OH- + [18O]T- + [18O]D- = AlOH[18O]T[18O]D + 3 OH- +Al(OH)3 + OD- + OH- + OH- = AlODOHOH + 3 OH- +Al(OH)3 + OD- + OH- + OD- = AlODOHOD + 3 OH- +Al(OH)3 + OD- + OH- + OT- = AlODOHOT + 3 OH- +Al(OH)3 + OD- + OH- + [18O]H- = AlODOH[18O]H + 3 OH- +Al(OH)3 + OD- + OH- + [18O]D- = AlODOH[18O]D + 3 OH- +Al(OH)3 + OD- + OH- + [18O]T- = AlODOH[18O]T + 3 OH- +Al(OH)3 + OD- + OD- + OH- = AlODODOH + 3 OH- +Al(OH)3 + OD- + OD- + OT- = AlODODOT + 3 OH- +Al(OH)3 + OD- + OD- + [18O]H- = AlODOD[18O]H + 3 OH- +Al(OH)3 + OD- + OD- + [18O]T- = AlODOD[18O]T + 3 OH- +Al(OH)3 + OD- + OT- + OH- = AlODOTOH + 3 OH- +Al(OH)3 + OD- + OT- + OD- = AlODOTOD + 3 OH- +Al(OH)3 + OD- + OT- + [18O]H- = AlODOT[18O]H + 3 OH- +Al(OH)3 + OD- + OT- + [18O]D- = AlODOT[18O]D + 3 OH- +Al(OH)3 + OD- + [18O]H- + OH- = AlOD[18O]HOH + 3 OH- +Al(OH)3 + OD- + [18O]H- + OD- = AlOD[18O]HOD + 3 OH- +Al(OH)3 + OD- + [18O]H- + OT- = AlOD[18O]HOT + 3 OH- +Al(OH)3 + OD- + [18O]H- + [18O]H- = AlOD[18O]H[18O]H + 3 OH- +Al(OH)3 + OD- + [18O]H- + [18O]D- = AlOD[18O]H[18O]D + 3 OH- +Al(OH)3 + OD- + [18O]H- + [18O]T- = AlOD[18O]H[18O]T + 3 OH- +Al(OH)3 + OD- + [18O]D- + OH- = AlOD[18O]DOH + 3 OH- +Al(OH)3 + OD- + [18O]D- + OT- = AlOD[18O]DOT + 3 OH- +Al(OH)3 + OD- + [18O]D- + [18O]H- = AlOD[18O]D[18O]H + 3 OH- +Al(OH)3 + OD- + [18O]T- + OH- = AlOD[18O]TOH + 3 OH- +Al(OH)3 + OD- + [18O]T- + OD- = AlOD[18O]TOD + 3 OH- +Al(OH)3 + OD- + [18O]T- + [18O]H- = AlOD[18O]T[18O]H + 3 OH- +Al(OH)3 + OT- + OH- + OH- = AlOTOHOH + 3 OH- +Al(OH)3 + OT- + OH- + OD- = AlOTOHOD + 3 OH- +Al(OH)3 + OT- + OH- + [18O]H- = AlOTOH[18O]H + 3 OH- +Al(OH)3 + OT- + OH- + [18O]D- = AlOTOH[18O]D + 3 OH- +Al(OH)3 + OT- + OD- + OH- = AlOTODOH + 3 OH- +Al(OH)3 + OT- + OD- + OD- = AlOTODOD + 3 OH- +Al(OH)3 + OT- + OD- + [18O]H- = AlOTOD[18O]H + 3 OH- +Al(OH)3 + OT- + OD- + [18O]D- = AlOTOD[18O]D + 3 OH- +Al(OH)3 + OT- + [18O]H- + OH- = AlOT[18O]HOH + 3 OH- +Al(OH)3 + OT- + [18O]H- + OD- = AlOT[18O]HOD + 3 OH- +Al(OH)3 + OT- + [18O]H- + [18O]H- = AlOT[18O]H[18O]H + 3 OH- +Al(OH)3 + OT- + [18O]H- + [18O]D- = AlOT[18O]H[18O]D + 3 OH- +Al(OH)3 + OT- + [18O]D- + OH- = AlOT[18O]DOH + 3 OH- +Al(OH)3 + OT- + [18O]D- + OD- = AlOT[18O]DOD + 3 OH- +Al(OH)3 + OT- + [18O]D- + [18O]H- = AlOT[18O]D[18O]H + 3 OH- +Al(OH)3 + [18O]H- + OH- + OH- = Al[18O]HOHOH + 3 OH- +Al(OH)3 + [18O]H- + OH- + OD- = Al[18O]HOHOD + 3 OH- +Al(OH)3 + [18O]H- + OH- + OT- = Al[18O]HOHOT + 3 OH- +Al(OH)3 + [18O]H- + OH- + [18O]H- = Al[18O]HOH[18O]H + 3 OH- +Al(OH)3 + [18O]H- + OH- + [18O]D- = Al[18O]HOH[18O]D + 3 OH- +Al(OH)3 + [18O]H- + OH- + [18O]T- = Al[18O]HOH[18O]T + 3 OH- +Al(OH)3 + [18O]H- + OD- + OH- = Al[18O]HODOH + 3 OH- +Al(OH)3 + [18O]H- + OD- + OD- = Al[18O]HODOD + 3 OH- +Al(OH)3 + [18O]H- + OD- + OT- = Al[18O]HODOT + 3 OH- +Al(OH)3 + [18O]H- + OD- + [18O]H- = Al[18O]HOD[18O]H + 3 OH- +Al(OH)3 + [18O]H- + OD- + [18O]D- = Al[18O]HOD[18O]D + 3 OH- +Al(OH)3 + [18O]H- + OD- + [18O]T- = Al[18O]HOD[18O]T + 3 OH- +Al(OH)3 + [18O]H- + OT- + OH- = Al[18O]HOTOH + 3 OH- +Al(OH)3 + [18O]H- + OT- + OD- = Al[18O]HOTOD + 3 OH- +Al(OH)3 + [18O]H- + OT- + [18O]H- = Al[18O]HOT[18O]H + 3 OH- +Al(OH)3 + [18O]H- + OT- + [18O]D- = Al[18O]HOT[18O]D + 3 OH- +Al(OH)3 + [18O]H- + [18O]H- + OH- = Al[18O]H[18O]HOH + 3 OH- +Al(OH)3 + [18O]H- + [18O]H- + OD- = Al[18O]H[18O]HOD + 3 OH- +Al(OH)3 + [18O]H- + [18O]H- + OT- = Al[18O]H[18O]HOT + 3 OH- +Al(OH)3 + [18O]H- + [18O]D- + OH- = Al[18O]H[18O]DOH + 3 OH- +Al(OH)3 + [18O]H- + [18O]D- + OD- = Al[18O]H[18O]DOD + 3 OH- +Al(OH)3 + [18O]H- + [18O]D- + OT- = Al[18O]H[18O]DOT + 3 OH- +Al(OH)3 + [18O]H- + [18O]T- + OH- = Al[18O]H[18O]TOH + 3 OH- +Al(OH)3 + [18O]H- + [18O]T- + OD- = Al[18O]H[18O]TOD + 3 OH- +Al(OH)3 + [18O]D- + OH- + OH- = Al[18O]DOHOH + 3 OH- +Al(OH)3 + [18O]D- + OH- + OD- = Al[18O]DOHOD + 3 OH- +Al(OH)3 + [18O]D- + OH- + OT- = Al[18O]DOHOT + 3 OH- +Al(OH)3 + [18O]D- + OH- + [18O]H- = Al[18O]DOH[18O]H + 3 OH- +Al(OH)3 + [18O]D- + OH- + [18O]D- = Al[18O]DOH[18O]D + 3 OH- +Al(OH)3 + [18O]D- + OH- + [18O]T- = Al[18O]DOH[18O]T + 3 OH- +Al(OH)3 + [18O]D- + OD- + OH- = Al[18O]DODOH + 3 OH- +Al(OH)3 + [18O]D- + OD- + OT- = Al[18O]DODOT + 3 OH- +Al(OH)3 + [18O]D- + OD- + [18O]H- = Al[18O]DOD[18O]H + 3 OH- +Al(OH)3 + [18O]D- + OT- + OH- = Al[18O]DOTOH + 3 OH- +Al(OH)3 + [18O]D- + OT- + OD- = Al[18O]DOTOD + 3 OH- +Al(OH)3 + [18O]D- + OT- + [18O]H- = Al[18O]DOT[18O]H + 3 OH- +Al(OH)3 + [18O]D- + [18O]H- + OH- = Al[18O]D[18O]HOH + 3 OH- +Al(OH)3 + [18O]D- + [18O]H- + OD- = Al[18O]D[18O]HOD + 3 OH- +Al(OH)3 + [18O]D- + [18O]H- + OT- = Al[18O]D[18O]HOT + 3 OH- +Al(OH)3 + [18O]D- + [18O]D- + OH- = Al[18O]D[18O]DOH + 3 OH- +Al(OH)3 + [18O]D- + [18O]T- + OH- = Al[18O]D[18O]TOH + 3 OH- +Al(OH)3 + [18O]T- + OH- + OH- = Al[18O]TOHOH + 3 OH- +Al(OH)3 + [18O]T- + OH- + OD- = Al[18O]TOHOD + 3 OH- +Al(OH)3 + [18O]T- + OH- + [18O]H- = Al[18O]TOH[18O]H + 3 OH- +Al(OH)3 + [18O]T- + OH- + [18O]D- = Al[18O]TOH[18O]D + 3 OH- +Al(OH)3 + [18O]T- + OD- + OH- = Al[18O]TODOH + 3 OH- +Al(OH)3 + [18O]T- + OD- + OD- = Al[18O]TODOD + 3 OH- +Al(OH)3 + [18O]T- + OD- + [18O]H- = Al[18O]TOD[18O]H + 3 OH- +Al(OH)3 + [18O]T- + [18O]H- + OH- = Al[18O]T[18O]HOH + 3 OH- +Al(OH)3 + [18O]T- + [18O]H- + OD- = Al[18O]T[18O]HOD + 3 OH- +Al(OH)3 + [18O]T- + [18O]D- + OH- = Al[18O]T[18O]DOH + 3 OH- # # Added Al(OH)4- reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Al(OH)4- + OH- + OH- + OH- + OD- = AlOHOHOHOD- + 4OH- -Al(OH)4- + OH- + OH- + OH- + OT- = AlOHOHOHOT- + 4OH- -Al(OH)4- + OH- + OH- + OH- + [18O]H- = AlOHOHOH[18O]H- + 4OH- -Al(OH)4- + OH- + OH- + OH- + [18O]D- = AlOHOHOH[18O]D- + 4OH- -Al(OH)4- + OH- + OH- + OH- + [18O]T- = AlOHOHOH[18O]T- + 4OH- -Al(OH)4- + OH- + OH- + OD- + OH- = AlOHOHODOH- + 4OH- -Al(OH)4- + OH- + OH- + OD- + OD- = AlOHOHODOD- + 4OH- -Al(OH)4- + OH- + OH- + OD- + OT- = AlOHOHODOT- + 4OH- -Al(OH)4- + OH- + OH- + OD- + [18O]H- = AlOHOHOD[18O]H- + 4OH- -Al(OH)4- + OH- + OH- + OD- + [18O]D- = AlOHOHOD[18O]D- + 4OH- -Al(OH)4- + OH- + OH- + OD- + [18O]T- = AlOHOHOD[18O]T- + 4OH- -Al(OH)4- + OH- + OH- + OT- + OH- = AlOHOHOTOH- + 4OH- -Al(OH)4- + OH- + OH- + OT- + OD- = AlOHOHOTOD- + 4OH- -Al(OH)4- + OH- + OH- + OT- + [18O]H- = AlOHOHOT[18O]H- + 4OH- -Al(OH)4- + OH- + OH- + OT- + [18O]D- = AlOHOHOT[18O]D- + 4OH- -Al(OH)4- + OH- + OH- + [18O]H- + OH- = AlOHOH[18O]HOH- + 4OH- -Al(OH)4- + OH- + OH- + [18O]H- + OD- = AlOHOH[18O]HOD- + 4OH- -Al(OH)4- + OH- + OH- + [18O]H- + OT- = AlOHOH[18O]HOT- + 4OH- -Al(OH)4- + OH- + OH- + [18O]H- + [18O]H- = AlOHOH[18O]H[18O]H- + 4OH- -Al(OH)4- + OH- + OH- + [18O]H- + [18O]D- = AlOHOH[18O]H[18O]D- + 4OH- -Al(OH)4- + OH- + OH- + [18O]H- + [18O]T- = AlOHOH[18O]H[18O]T- + 4OH- -Al(OH)4- + OH- + OH- + [18O]D- + OH- = AlOHOH[18O]DOH- + 4OH- -Al(OH)4- + OH- + OH- + [18O]D- + OD- = AlOHOH[18O]DOD- + 4OH- -Al(OH)4- + OH- + OH- + [18O]D- + OT- = AlOHOH[18O]DOT- + 4OH- -Al(OH)4- + OH- + OH- + [18O]D- + [18O]H- = AlOHOH[18O]D[18O]H- + 4OH- -Al(OH)4- + OH- + OH- + [18O]D- + [18O]D- = AlOHOH[18O]D[18O]D- + 4OH- -Al(OH)4- + OH- + OH- + [18O]D- + [18O]T- = AlOHOH[18O]D[18O]T- + 4OH- -Al(OH)4- + OH- + OH- + [18O]T- + OH- = AlOHOH[18O]TOH- + 4OH- -Al(OH)4- + OH- + OH- + [18O]T- + OD- = AlOHOH[18O]TOD- + 4OH- -Al(OH)4- + OH- + OH- + [18O]T- + [18O]H- = AlOHOH[18O]T[18O]H- + 4OH- -Al(OH)4- + OH- + OH- + [18O]T- + [18O]D- = AlOHOH[18O]T[18O]D- + 4OH- -Al(OH)4- + OH- + OD- + OH- + OH- = AlOHODOHOH- + 4OH- -Al(OH)4- + OH- + OD- + OH- + OD- = AlOHODOHOD- + 4OH- -Al(OH)4- + OH- + OD- + OH- + OT- = AlOHODOHOT- + 4OH- -Al(OH)4- + OH- + OD- + OH- + [18O]H- = AlOHODOH[18O]H- + 4OH- -Al(OH)4- + OH- + OD- + OH- + [18O]D- = AlOHODOH[18O]D- + 4OH- -Al(OH)4- + OH- + OD- + OH- + [18O]T- = AlOHODOH[18O]T- + 4OH- -Al(OH)4- + OH- + OD- + OD- + OH- = AlOHODODOH- + 4OH- -Al(OH)4- + OH- + OD- + OD- + OT- = AlOHODODOT- + 4OH- -Al(OH)4- + OH- + OD- + OD- + [18O]H- = AlOHODOD[18O]H- + 4OH- -Al(OH)4- + OH- + OD- + OD- + [18O]T- = AlOHODOD[18O]T- + 4OH- -Al(OH)4- + OH- + OD- + OT- + OH- = AlOHODOTOH- + 4OH- -Al(OH)4- + OH- + OD- + OT- + OD- = AlOHODOTOD- + 4OH- -Al(OH)4- + OH- + OD- + OT- + [18O]H- = AlOHODOT[18O]H- + 4OH- -Al(OH)4- + OH- + OD- + OT- + [18O]D- = AlOHODOT[18O]D- + 4OH- -Al(OH)4- + OH- + OD- + [18O]H- + OH- = AlOHOD[18O]HOH- + 4OH- -Al(OH)4- + OH- + OD- + [18O]H- + OD- = AlOHOD[18O]HOD- + 4OH- -Al(OH)4- + OH- + OD- + [18O]H- + OT- = AlOHOD[18O]HOT- + 4OH- -Al(OH)4- + OH- + OD- + [18O]H- + [18O]H- = AlOHOD[18O]H[18O]H- + 4OH- -Al(OH)4- + OH- + OD- + [18O]H- + [18O]D- = AlOHOD[18O]H[18O]D- + 4OH- -Al(OH)4- + OH- + OD- + [18O]H- + [18O]T- = AlOHOD[18O]H[18O]T- + 4OH- -Al(OH)4- + OH- + OD- + [18O]D- + OH- = AlOHOD[18O]DOH- + 4OH- -Al(OH)4- + OH- + OD- + [18O]D- + OT- = AlOHOD[18O]DOT- + 4OH- -Al(OH)4- + OH- + OD- + [18O]D- + [18O]H- = AlOHOD[18O]D[18O]H- + 4OH- -Al(OH)4- + OH- + OD- + [18O]T- + OH- = AlOHOD[18O]TOH- + 4OH- -Al(OH)4- + OH- + OD- + [18O]T- + OD- = AlOHOD[18O]TOD- + 4OH- -Al(OH)4- + OH- + OD- + [18O]T- + [18O]H- = AlOHOD[18O]T[18O]H- + 4OH- -Al(OH)4- + OH- + OT- + OH- + OH- = AlOHOTOHOH- + 4OH- -Al(OH)4- + OH- + OT- + OH- + OD- = AlOHOTOHOD- + 4OH- -Al(OH)4- + OH- + OT- + OH- + [18O]H- = AlOHOTOH[18O]H- + 4OH- -Al(OH)4- + OH- + OT- + OH- + [18O]D- = AlOHOTOH[18O]D- + 4OH- -Al(OH)4- + OH- + OT- + OD- + OH- = AlOHOTODOH- + 4OH- -Al(OH)4- + OH- + OT- + OD- + OD- = AlOHOTODOD- + 4OH- -Al(OH)4- + OH- + OT- + OD- + [18O]H- = AlOHOTOD[18O]H- + 4OH- -Al(OH)4- + OH- + OT- + OD- + [18O]D- = AlOHOTOD[18O]D- + 4OH- -Al(OH)4- + OH- + OT- + [18O]H- + OH- = AlOHOT[18O]HOH- + 4OH- -Al(OH)4- + OH- + OT- + [18O]H- + OD- = AlOHOT[18O]HOD- + 4OH- -Al(OH)4- + OH- + OT- + [18O]H- + [18O]H- = AlOHOT[18O]H[18O]H- + 4OH- -Al(OH)4- + OH- + OT- + [18O]H- + [18O]D- = AlOHOT[18O]H[18O]D- + 4OH- -Al(OH)4- + OH- + OT- + [18O]D- + OH- = AlOHOT[18O]DOH- + 4OH- -Al(OH)4- + OH- + OT- + [18O]D- + OD- = AlOHOT[18O]DOD- + 4OH- -Al(OH)4- + OH- + OT- + [18O]D- + [18O]H- = AlOHOT[18O]D[18O]H- + 4OH- -Al(OH)4- + OH- + [18O]H- + OH- + OH- = AlOH[18O]HOHOH- + 4OH- -Al(OH)4- + OH- + [18O]H- + OH- + OD- = AlOH[18O]HOHOD- + 4OH- -Al(OH)4- + OH- + [18O]H- + OH- + OT- = AlOH[18O]HOHOT- + 4OH- -Al(OH)4- + OH- + [18O]H- + OH- + [18O]H- = AlOH[18O]HOH[18O]H- + 4OH- -Al(OH)4- + OH- + [18O]H- + OH- + [18O]D- = AlOH[18O]HOH[18O]D- + 4OH- -Al(OH)4- + OH- + [18O]H- + OH- + [18O]T- = AlOH[18O]HOH[18O]T- + 4OH- -Al(OH)4- + OH- + [18O]H- + OD- + OH- = AlOH[18O]HODOH- + 4OH- -Al(OH)4- + OH- + [18O]H- + OD- + OD- = AlOH[18O]HODOD- + 4OH- -Al(OH)4- + OH- + [18O]H- + OD- + OT- = AlOH[18O]HODOT- + 4OH- -Al(OH)4- + OH- + [18O]H- + OD- + [18O]H- = AlOH[18O]HOD[18O]H- + 4OH- -Al(OH)4- + OH- + [18O]H- + OD- + [18O]D- = AlOH[18O]HOD[18O]D- + 4OH- -Al(OH)4- + OH- + [18O]H- + OD- + [18O]T- = AlOH[18O]HOD[18O]T- + 4OH- -Al(OH)4- + OH- + [18O]H- + OT- + OH- = AlOH[18O]HOTOH- + 4OH- -Al(OH)4- + OH- + [18O]H- + OT- + OD- = AlOH[18O]HOTOD- + 4OH- -Al(OH)4- + OH- + [18O]H- + OT- + [18O]H- = AlOH[18O]HOT[18O]H- + 4OH- -Al(OH)4- + OH- + [18O]H- + OT- + [18O]D- = AlOH[18O]HOT[18O]D- + 4OH- -Al(OH)4- + OH- + [18O]H- + [18O]H- + OH- = AlOH[18O]H[18O]HOH- + 4OH- -Al(OH)4- + OH- + [18O]H- + [18O]H- + OD- = AlOH[18O]H[18O]HOD- + 4OH- -Al(OH)4- + OH- + [18O]H- + [18O]H- + OT- = AlOH[18O]H[18O]HOT- + 4OH- -Al(OH)4- + OH- + [18O]H- + [18O]D- + OH- = AlOH[18O]H[18O]DOH- + 4OH- -Al(OH)4- + OH- + [18O]H- + [18O]D- + OD- = AlOH[18O]H[18O]DOD- + 4OH- -Al(OH)4- + OH- + [18O]H- + [18O]D- + OT- = AlOH[18O]H[18O]DOT- + 4OH- -Al(OH)4- + OH- + [18O]H- + [18O]T- + OH- = AlOH[18O]H[18O]TOH- + 4OH- -Al(OH)4- + OH- + [18O]H- + [18O]T- + OD- = AlOH[18O]H[18O]TOD- + 4OH- -Al(OH)4- + OH- + [18O]D- + OH- + OH- = AlOH[18O]DOHOH- + 4OH- -Al(OH)4- + OH- + [18O]D- + OH- + OD- = AlOH[18O]DOHOD- + 4OH- -Al(OH)4- + OH- + [18O]D- + OH- + OT- = AlOH[18O]DOHOT- + 4OH- -Al(OH)4- + OH- + [18O]D- + OH- + [18O]H- = AlOH[18O]DOH[18O]H- + 4OH- -Al(OH)4- + OH- + [18O]D- + OH- + [18O]D- = AlOH[18O]DOH[18O]D- + 4OH- -Al(OH)4- + OH- + [18O]D- + OH- + [18O]T- = AlOH[18O]DOH[18O]T- + 4OH- -Al(OH)4- + OH- + [18O]D- + OD- + OH- = AlOH[18O]DODOH- + 4OH- -Al(OH)4- + OH- + [18O]D- + OD- + OT- = AlOH[18O]DODOT- + 4OH- -Al(OH)4- + OH- + [18O]D- + OD- + [18O]H- = AlOH[18O]DOD[18O]H- + 4OH- -Al(OH)4- + OH- + [18O]D- + OT- + OH- = AlOH[18O]DOTOH- + 4OH- -Al(OH)4- + OH- + [18O]D- + OT- + OD- = AlOH[18O]DOTOD- + 4OH- -Al(OH)4- + OH- + [18O]D- + OT- + [18O]H- = AlOH[18O]DOT[18O]H- + 4OH- -Al(OH)4- + OH- + [18O]D- + [18O]H- + OH- = AlOH[18O]D[18O]HOH- + 4OH- -Al(OH)4- + OH- + [18O]D- + [18O]H- + OD- = AlOH[18O]D[18O]HOD- + 4OH- -Al(OH)4- + OH- + [18O]D- + [18O]H- + OT- = AlOH[18O]D[18O]HOT- + 4OH- -Al(OH)4- + OH- + [18O]D- + [18O]D- + OH- = AlOH[18O]D[18O]DOH- + 4OH- -Al(OH)4- + OH- + [18O]D- + [18O]T- + OH- = AlOH[18O]D[18O]TOH- + 4OH- -Al(OH)4- + OH- + [18O]T- + OH- + OH- = AlOH[18O]TOHOH- + 4OH- -Al(OH)4- + OH- + [18O]T- + OH- + OD- = AlOH[18O]TOHOD- + 4OH- -Al(OH)4- + OH- + [18O]T- + OH- + [18O]H- = AlOH[18O]TOH[18O]H- + 4OH- -Al(OH)4- + OH- + [18O]T- + OH- + [18O]D- = AlOH[18O]TOH[18O]D- + 4OH- -Al(OH)4- + OH- + [18O]T- + OD- + OH- = AlOH[18O]TODOH- + 4OH- -Al(OH)4- + OH- + [18O]T- + OD- + OD- = AlOH[18O]TODOD- + 4OH- -Al(OH)4- + OH- + [18O]T- + OD- + [18O]H- = AlOH[18O]TOD[18O]H- + 4OH- -Al(OH)4- + OH- + [18O]T- + [18O]H- + OH- = AlOH[18O]T[18O]HOH- + 4OH- -Al(OH)4- + OH- + [18O]T- + [18O]H- + OD- = AlOH[18O]T[18O]HOD- + 4OH- -Al(OH)4- + OH- + [18O]T- + [18O]D- + OH- = AlOH[18O]T[18O]DOH- + 4OH- -Al(OH)4- + OD- + OH- + OH- + OH- = AlODOHOHOH- + 4OH- -Al(OH)4- + OD- + OH- + OH- + OD- = AlODOHOHOD- + 4OH- -Al(OH)4- + OD- + OH- + OH- + OT- = AlODOHOHOT- + 4OH- -Al(OH)4- + OD- + OH- + OH- + [18O]H- = AlODOHOH[18O]H- + 4OH- -Al(OH)4- + OD- + OH- + OH- + [18O]D- = AlODOHOH[18O]D- + 4OH- -Al(OH)4- + OD- + OH- + OH- + [18O]T- = AlODOHOH[18O]T- + 4OH- -Al(OH)4- + OD- + OH- + OD- + OH- = AlODOHODOH- + 4OH- -Al(OH)4- + OD- + OH- + OD- + OT- = AlODOHODOT- + 4OH- -Al(OH)4- + OD- + OH- + OD- + [18O]H- = AlODOHOD[18O]H- + 4OH- -Al(OH)4- + OD- + OH- + OD- + [18O]T- = AlODOHOD[18O]T- + 4OH- -Al(OH)4- + OD- + OH- + OT- + OH- = AlODOHOTOH- + 4OH- -Al(OH)4- + OD- + OH- + OT- + OD- = AlODOHOTOD- + 4OH- -Al(OH)4- + OD- + OH- + OT- + [18O]H- = AlODOHOT[18O]H- + 4OH- -Al(OH)4- + OD- + OH- + OT- + [18O]D- = AlODOHOT[18O]D- + 4OH- -Al(OH)4- + OD- + OH- + [18O]H- + OH- = AlODOH[18O]HOH- + 4OH- -Al(OH)4- + OD- + OH- + [18O]H- + OD- = AlODOH[18O]HOD- + 4OH- -Al(OH)4- + OD- + OH- + [18O]H- + OT- = AlODOH[18O]HOT- + 4OH- -Al(OH)4- + OD- + OH- + [18O]H- + [18O]H- = AlODOH[18O]H[18O]H- + 4OH- -Al(OH)4- + OD- + OH- + [18O]H- + [18O]D- = AlODOH[18O]H[18O]D- + 4OH- -Al(OH)4- + OD- + OH- + [18O]H- + [18O]T- = AlODOH[18O]H[18O]T- + 4OH- -Al(OH)4- + OD- + OH- + [18O]D- + OH- = AlODOH[18O]DOH- + 4OH- -Al(OH)4- + OD- + OH- + [18O]D- + OT- = AlODOH[18O]DOT- + 4OH- -Al(OH)4- + OD- + OH- + [18O]D- + [18O]H- = AlODOH[18O]D[18O]H- + 4OH- -Al(OH)4- + OD- + OH- + [18O]T- + OH- = AlODOH[18O]TOH- + 4OH- -Al(OH)4- + OD- + OH- + [18O]T- + OD- = AlODOH[18O]TOD- + 4OH- -Al(OH)4- + OD- + OH- + [18O]T- + [18O]H- = AlODOH[18O]T[18O]H- + 4OH- -Al(OH)4- + OD- + OD- + OH- + OH- = AlODODOHOH- + 4OH- -Al(OH)4- + OD- + OD- + OH- + OT- = AlODODOHOT- + 4OH- -Al(OH)4- + OD- + OD- + OH- + [18O]H- = AlODODOH[18O]H- + 4OH- -Al(OH)4- + OD- + OD- + OH- + [18O]T- = AlODODOH[18O]T- + 4OH- -Al(OH)4- + OD- + OD- + OT- + OH- = AlODODOTOH- + 4OH- -Al(OH)4- + OD- + OD- + OT- + [18O]H- = AlODODOT[18O]H- + 4OH- -Al(OH)4- + OD- + OD- + [18O]H- + OH- = AlODOD[18O]HOH- + 4OH- -Al(OH)4- + OD- + OD- + [18O]H- + OT- = AlODOD[18O]HOT- + 4OH- -Al(OH)4- + OD- + OD- + [18O]H- + [18O]H- = AlODOD[18O]H[18O]H- + 4OH- -Al(OH)4- + OD- + OD- + [18O]T- + OH- = AlODOD[18O]TOH- + 4OH- -Al(OH)4- + OD- + OT- + OH- + OH- = AlODOTOHOH- + 4OH- -Al(OH)4- + OD- + OT- + OH- + OD- = AlODOTOHOD- + 4OH- -Al(OH)4- + OD- + OT- + OH- + [18O]H- = AlODOTOH[18O]H- + 4OH- -Al(OH)4- + OD- + OT- + OH- + [18O]D- = AlODOTOH[18O]D- + 4OH- -Al(OH)4- + OD- + OT- + OD- + OH- = AlODOTODOH- + 4OH- -Al(OH)4- + OD- + OT- + OD- + [18O]H- = AlODOTOD[18O]H- + 4OH- -Al(OH)4- + OD- + OT- + [18O]H- + OH- = AlODOT[18O]HOH- + 4OH- -Al(OH)4- + OD- + OT- + [18O]H- + OD- = AlODOT[18O]HOD- + 4OH- -Al(OH)4- + OD- + OT- + [18O]H- + [18O]H- = AlODOT[18O]H[18O]H- + 4OH- -Al(OH)4- + OD- + OT- + [18O]D- + OH- = AlODOT[18O]DOH- + 4OH- -Al(OH)4- + OD- + [18O]H- + OH- + OH- = AlOD[18O]HOHOH- + 4OH- -Al(OH)4- + OD- + [18O]H- + OH- + OD- = AlOD[18O]HOHOD- + 4OH- -Al(OH)4- + OD- + [18O]H- + OH- + OT- = AlOD[18O]HOHOT- + 4OH- -Al(OH)4- + OD- + [18O]H- + OH- + [18O]H- = AlOD[18O]HOH[18O]H- + 4OH- -Al(OH)4- + OD- + [18O]H- + OH- + [18O]D- = AlOD[18O]HOH[18O]D- + 4OH- -Al(OH)4- + OD- + [18O]H- + OH- + [18O]T- = AlOD[18O]HOH[18O]T- + 4OH- -Al(OH)4- + OD- + [18O]H- + OD- + OH- = AlOD[18O]HODOH- + 4OH- -Al(OH)4- + OD- + [18O]H- + OD- + OT- = AlOD[18O]HODOT- + 4OH- -Al(OH)4- + OD- + [18O]H- + OD- + [18O]H- = AlOD[18O]HOD[18O]H- + 4OH- -Al(OH)4- + OD- + [18O]H- + OT- + OH- = AlOD[18O]HOTOH- + 4OH- -Al(OH)4- + OD- + [18O]H- + OT- + OD- = AlOD[18O]HOTOD- + 4OH- -Al(OH)4- + OD- + [18O]H- + OT- + [18O]H- = AlOD[18O]HOT[18O]H- + 4OH- -Al(OH)4- + OD- + [18O]H- + [18O]H- + OH- = AlOD[18O]H[18O]HOH- + 4OH- -Al(OH)4- + OD- + [18O]H- + [18O]H- + OD- = AlOD[18O]H[18O]HOD- + 4OH- -Al(OH)4- + OD- + [18O]H- + [18O]H- + OT- = AlOD[18O]H[18O]HOT- + 4OH- -Al(OH)4- + OD- + [18O]H- + [18O]D- + OH- = AlOD[18O]H[18O]DOH- + 4OH- -Al(OH)4- + OD- + [18O]H- + [18O]T- + OH- = AlOD[18O]H[18O]TOH- + 4OH- -Al(OH)4- + OD- + [18O]D- + OH- + OH- = AlOD[18O]DOHOH- + 4OH- -Al(OH)4- + OD- + [18O]D- + OH- + OT- = AlOD[18O]DOHOT- + 4OH- -Al(OH)4- + OD- + [18O]D- + OH- + [18O]H- = AlOD[18O]DOH[18O]H- + 4OH- -Al(OH)4- + OD- + [18O]D- + OT- + OH- = AlOD[18O]DOTOH- + 4OH- -Al(OH)4- + OD- + [18O]D- + [18O]H- + OH- = AlOD[18O]D[18O]HOH- + 4OH- -Al(OH)4- + OD- + [18O]T- + OH- + OH- = AlOD[18O]TOHOH- + 4OH- -Al(OH)4- + OD- + [18O]T- + OH- + OD- = AlOD[18O]TOHOD- + 4OH- -Al(OH)4- + OD- + [18O]T- + OH- + [18O]H- = AlOD[18O]TOH[18O]H- + 4OH- -Al(OH)4- + OD- + [18O]T- + OD- + OH- = AlOD[18O]TODOH- + 4OH- -Al(OH)4- + OD- + [18O]T- + [18O]H- + OH- = AlOD[18O]T[18O]HOH- + 4OH- -Al(OH)4- + OT- + OH- + OH- + OH- = AlOTOHOHOH- + 4OH- -Al(OH)4- + OT- + OH- + OH- + OD- = AlOTOHOHOD- + 4OH- -Al(OH)4- + OT- + OH- + OH- + [18O]H- = AlOTOHOH[18O]H- + 4OH- -Al(OH)4- + OT- + OH- + OH- + [18O]D- = AlOTOHOH[18O]D- + 4OH- -Al(OH)4- + OT- + OH- + OD- + OH- = AlOTOHODOH- + 4OH- -Al(OH)4- + OT- + OH- + OD- + OD- = AlOTOHODOD- + 4OH- -Al(OH)4- + OT- + OH- + OD- + [18O]H- = AlOTOHOD[18O]H- + 4OH- -Al(OH)4- + OT- + OH- + OD- + [18O]D- = AlOTOHOD[18O]D- + 4OH- -Al(OH)4- + OT- + OH- + [18O]H- + OH- = AlOTOH[18O]HOH- + 4OH- -Al(OH)4- + OT- + OH- + [18O]H- + OD- = AlOTOH[18O]HOD- + 4OH- -Al(OH)4- + OT- + OH- + [18O]H- + [18O]H- = AlOTOH[18O]H[18O]H- + 4OH- -Al(OH)4- + OT- + OH- + [18O]H- + [18O]D- = AlOTOH[18O]H[18O]D- + 4OH- -Al(OH)4- + OT- + OH- + [18O]D- + OH- = AlOTOH[18O]DOH- + 4OH- -Al(OH)4- + OT- + OH- + [18O]D- + OD- = AlOTOH[18O]DOD- + 4OH- -Al(OH)4- + OT- + OH- + [18O]D- + [18O]H- = AlOTOH[18O]D[18O]H- + 4OH- -Al(OH)4- + OT- + OD- + OH- + OH- = AlOTODOHOH- + 4OH- -Al(OH)4- + OT- + OD- + OH- + OD- = AlOTODOHOD- + 4OH- -Al(OH)4- + OT- + OD- + OH- + [18O]H- = AlOTODOH[18O]H- + 4OH- -Al(OH)4- + OT- + OD- + OH- + [18O]D- = AlOTODOH[18O]D- + 4OH- -Al(OH)4- + OT- + OD- + OD- + OH- = AlOTODODOH- + 4OH- -Al(OH)4- + OT- + OD- + OD- + [18O]H- = AlOTODOD[18O]H- + 4OH- -Al(OH)4- + OT- + OD- + [18O]H- + OH- = AlOTOD[18O]HOH- + 4OH- -Al(OH)4- + OT- + OD- + [18O]H- + OD- = AlOTOD[18O]HOD- + 4OH- -Al(OH)4- + OT- + OD- + [18O]H- + [18O]H- = AlOTOD[18O]H[18O]H- + 4OH- -Al(OH)4- + OT- + OD- + [18O]D- + OH- = AlOTOD[18O]DOH- + 4OH- -Al(OH)4- + OT- + [18O]H- + OH- + OH- = AlOT[18O]HOHOH- + 4OH- -Al(OH)4- + OT- + [18O]H- + OH- + OD- = AlOT[18O]HOHOD- + 4OH- -Al(OH)4- + OT- + [18O]H- + OH- + [18O]H- = AlOT[18O]HOH[18O]H- + 4OH- -Al(OH)4- + OT- + [18O]H- + OH- + [18O]D- = AlOT[18O]HOH[18O]D- + 4OH- -Al(OH)4- + OT- + [18O]H- + OD- + OH- = AlOT[18O]HODOH- + 4OH- -Al(OH)4- + OT- + [18O]H- + OD- + OD- = AlOT[18O]HODOD- + 4OH- -Al(OH)4- + OT- + [18O]H- + OD- + [18O]H- = AlOT[18O]HOD[18O]H- + 4OH- -Al(OH)4- + OT- + [18O]H- + [18O]H- + OH- = AlOT[18O]H[18O]HOH- + 4OH- -Al(OH)4- + OT- + [18O]H- + [18O]H- + OD- = AlOT[18O]H[18O]HOD- + 4OH- -Al(OH)4- + OT- + [18O]H- + [18O]D- + OH- = AlOT[18O]H[18O]DOH- + 4OH- -Al(OH)4- + OT- + [18O]D- + OH- + OH- = AlOT[18O]DOHOH- + 4OH- -Al(OH)4- + OT- + [18O]D- + OH- + OD- = AlOT[18O]DOHOD- + 4OH- -Al(OH)4- + OT- + [18O]D- + OH- + [18O]H- = AlOT[18O]DOH[18O]H- + 4OH- -Al(OH)4- + OT- + [18O]D- + OD- + OH- = AlOT[18O]DODOH- + 4OH- -Al(OH)4- + OT- + [18O]D- + [18O]H- + OH- = AlOT[18O]D[18O]HOH- + 4OH- -Al(OH)4- + [18O]H- + OH- + OH- + OH- = Al[18O]HOHOHOH- + 4OH- -Al(OH)4- + [18O]H- + OH- + OH- + OD- = Al[18O]HOHOHOD- + 4OH- -Al(OH)4- + [18O]H- + OH- + OH- + OT- = Al[18O]HOHOHOT- + 4OH- -Al(OH)4- + [18O]H- + OH- + OH- + [18O]H- = Al[18O]HOHOH[18O]H- + 4OH- -Al(OH)4- + [18O]H- + OH- + OH- + [18O]D- = Al[18O]HOHOH[18O]D- + 4OH- -Al(OH)4- + [18O]H- + OH- + OH- + [18O]T- = Al[18O]HOHOH[18O]T- + 4OH- -Al(OH)4- + [18O]H- + OH- + OD- + OH- = Al[18O]HOHODOH- + 4OH- -Al(OH)4- + [18O]H- + OH- + OD- + OD- = Al[18O]HOHODOD- + 4OH- -Al(OH)4- + [18O]H- + OH- + OD- + OT- = Al[18O]HOHODOT- + 4OH- -Al(OH)4- + [18O]H- + OH- + OD- + [18O]H- = Al[18O]HOHOD[18O]H- + 4OH- -Al(OH)4- + [18O]H- + OH- + OD- + [18O]D- = Al[18O]HOHOD[18O]D- + 4OH- -Al(OH)4- + [18O]H- + OH- + OD- + [18O]T- = Al[18O]HOHOD[18O]T- + 4OH- -Al(OH)4- + [18O]H- + OH- + OT- + OH- = Al[18O]HOHOTOH- + 4OH- -Al(OH)4- + [18O]H- + OH- + OT- + OD- = Al[18O]HOHOTOD- + 4OH- -Al(OH)4- + [18O]H- + OH- + OT- + [18O]H- = Al[18O]HOHOT[18O]H- + 4OH- -Al(OH)4- + [18O]H- + OH- + OT- + [18O]D- = Al[18O]HOHOT[18O]D- + 4OH- -Al(OH)4- + [18O]H- + OH- + [18O]H- + OH- = Al[18O]HOH[18O]HOH- + 4OH- -Al(OH)4- + [18O]H- + OH- + [18O]H- + OD- = Al[18O]HOH[18O]HOD- + 4OH- -Al(OH)4- + [18O]H- + OH- + [18O]H- + OT- = Al[18O]HOH[18O]HOT- + 4OH- -Al(OH)4- + [18O]H- + OH- + [18O]D- + OH- = Al[18O]HOH[18O]DOH- + 4OH- -Al(OH)4- + [18O]H- + OH- + [18O]D- + OD- = Al[18O]HOH[18O]DOD- + 4OH- -Al(OH)4- + [18O]H- + OH- + [18O]D- + OT- = Al[18O]HOH[18O]DOT- + 4OH- -Al(OH)4- + [18O]H- + OH- + [18O]T- + OH- = Al[18O]HOH[18O]TOH- + 4OH- -Al(OH)4- + [18O]H- + OH- + [18O]T- + OD- = Al[18O]HOH[18O]TOD- + 4OH- -Al(OH)4- + [18O]H- + OD- + OH- + OH- = Al[18O]HODOHOH- + 4OH- -Al(OH)4- + [18O]H- + OD- + OH- + OD- = Al[18O]HODOHOD- + 4OH- -Al(OH)4- + [18O]H- + OD- + OH- + OT- = Al[18O]HODOHOT- + 4OH- -Al(OH)4- + [18O]H- + OD- + OH- + [18O]H- = Al[18O]HODOH[18O]H- + 4OH- -Al(OH)4- + [18O]H- + OD- + OH- + [18O]D- = Al[18O]HODOH[18O]D- + 4OH- -Al(OH)4- + [18O]H- + OD- + OH- + [18O]T- = Al[18O]HODOH[18O]T- + 4OH- -Al(OH)4- + [18O]H- + OD- + OD- + OH- = Al[18O]HODODOH- + 4OH- -Al(OH)4- + [18O]H- + OD- + OD- + OT- = Al[18O]HODODOT- + 4OH- -Al(OH)4- + [18O]H- + OD- + OD- + [18O]H- = Al[18O]HODOD[18O]H- + 4OH- -Al(OH)4- + [18O]H- + OD- + OT- + OH- = Al[18O]HODOTOH- + 4OH- -Al(OH)4- + [18O]H- + OD- + OT- + OD- = Al[18O]HODOTOD- + 4OH- -Al(OH)4- + [18O]H- + OD- + OT- + [18O]H- = Al[18O]HODOT[18O]H- + 4OH- -Al(OH)4- + [18O]H- + OD- + [18O]H- + OH- = Al[18O]HOD[18O]HOH- + 4OH- -Al(OH)4- + [18O]H- + OD- + [18O]H- + OD- = Al[18O]HOD[18O]HOD- + 4OH- -Al(OH)4- + [18O]H- + OD- + [18O]H- + OT- = Al[18O]HOD[18O]HOT- + 4OH- -Al(OH)4- + [18O]H- + OD- + [18O]D- + OH- = Al[18O]HOD[18O]DOH- + 4OH- -Al(OH)4- + [18O]H- + OD- + [18O]T- + OH- = Al[18O]HOD[18O]TOH- + 4OH- -Al(OH)4- + [18O]H- + OT- + OH- + OH- = Al[18O]HOTOHOH- + 4OH- -Al(OH)4- + [18O]H- + OT- + OH- + OD- = Al[18O]HOTOHOD- + 4OH- -Al(OH)4- + [18O]H- + OT- + OH- + [18O]H- = Al[18O]HOTOH[18O]H- + 4OH- -Al(OH)4- + [18O]H- + OT- + OH- + [18O]D- = Al[18O]HOTOH[18O]D- + 4OH- -Al(OH)4- + [18O]H- + OT- + OD- + OH- = Al[18O]HOTODOH- + 4OH- -Al(OH)4- + [18O]H- + OT- + OD- + OD- = Al[18O]HOTODOD- + 4OH- -Al(OH)4- + [18O]H- + OT- + OD- + [18O]H- = Al[18O]HOTOD[18O]H- + 4OH- -Al(OH)4- + [18O]H- + OT- + [18O]H- + OH- = Al[18O]HOT[18O]HOH- + 4OH- -Al(OH)4- + [18O]H- + OT- + [18O]H- + OD- = Al[18O]HOT[18O]HOD- + 4OH- -Al(OH)4- + [18O]H- + OT- + [18O]D- + OH- = Al[18O]HOT[18O]DOH- + 4OH- -Al(OH)4- + [18O]H- + [18O]H- + OH- + OH- = Al[18O]H[18O]HOHOH- + 4OH- -Al(OH)4- + [18O]H- + [18O]H- + OH- + OD- = Al[18O]H[18O]HOHOD- + 4OH- -Al(OH)4- + [18O]H- + [18O]H- + OH- + OT- = Al[18O]H[18O]HOHOT- + 4OH- -Al(OH)4- + [18O]H- + [18O]H- + OD- + OH- = Al[18O]H[18O]HODOH- + 4OH- -Al(OH)4- + [18O]H- + [18O]H- + OD- + OD- = Al[18O]H[18O]HODOD- + 4OH- -Al(OH)4- + [18O]H- + [18O]H- + OD- + OT- = Al[18O]H[18O]HODOT- + 4OH- -Al(OH)4- + [18O]H- + [18O]H- + OT- + OH- = Al[18O]H[18O]HOTOH- + 4OH- -Al(OH)4- + [18O]H- + [18O]H- + OT- + OD- = Al[18O]H[18O]HOTOD- + 4OH- -Al(OH)4- + [18O]H- + [18O]D- + OH- + OH- = Al[18O]H[18O]DOHOH- + 4OH- -Al(OH)4- + [18O]H- + [18O]D- + OH- + OD- = Al[18O]H[18O]DOHOD- + 4OH- -Al(OH)4- + [18O]H- + [18O]D- + OH- + OT- = Al[18O]H[18O]DOHOT- + 4OH- -Al(OH)4- + [18O]H- + [18O]D- + OD- + OH- = Al[18O]H[18O]DODOH- + 4OH- -Al(OH)4- + [18O]H- + [18O]D- + OT- + OH- = Al[18O]H[18O]DOTOH- + 4OH- -Al(OH)4- + [18O]H- + [18O]T- + OH- + OH- = Al[18O]H[18O]TOHOH- + 4OH- -Al(OH)4- + [18O]H- + [18O]T- + OH- + OD- = Al[18O]H[18O]TOHOD- + 4OH- -Al(OH)4- + [18O]H- + [18O]T- + OD- + OH- = Al[18O]H[18O]TODOH- + 4OH- -Al(OH)4- + [18O]D- + OH- + OH- + OH- = Al[18O]DOHOHOH- + 4OH- -Al(OH)4- + [18O]D- + OH- + OH- + OD- = Al[18O]DOHOHOD- + 4OH- -Al(OH)4- + [18O]D- + OH- + OH- + OT- = Al[18O]DOHOHOT- + 4OH- -Al(OH)4- + [18O]D- + OH- + OH- + [18O]H- = Al[18O]DOHOH[18O]H- + 4OH- -Al(OH)4- + [18O]D- + OH- + OH- + [18O]D- = Al[18O]DOHOH[18O]D- + 4OH- -Al(OH)4- + [18O]D- + OH- + OH- + [18O]T- = Al[18O]DOHOH[18O]T- + 4OH- -Al(OH)4- + [18O]D- + OH- + OD- + OH- = Al[18O]DOHODOH- + 4OH- -Al(OH)4- + [18O]D- + OH- + OD- + OT- = Al[18O]DOHODOT- + 4OH- -Al(OH)4- + [18O]D- + OH- + OD- + [18O]H- = Al[18O]DOHOD[18O]H- + 4OH- -Al(OH)4- + [18O]D- + OH- + OT- + OH- = Al[18O]DOHOTOH- + 4OH- -Al(OH)4- + [18O]D- + OH- + OT- + OD- = Al[18O]DOHOTOD- + 4OH- -Al(OH)4- + [18O]D- + OH- + OT- + [18O]H- = Al[18O]DOHOT[18O]H- + 4OH- -Al(OH)4- + [18O]D- + OH- + [18O]H- + OH- = Al[18O]DOH[18O]HOH- + 4OH- -Al(OH)4- + [18O]D- + OH- + [18O]H- + OD- = Al[18O]DOH[18O]HOD- + 4OH- -Al(OH)4- + [18O]D- + OH- + [18O]H- + OT- = Al[18O]DOH[18O]HOT- + 4OH- -Al(OH)4- + [18O]D- + OH- + [18O]D- + OH- = Al[18O]DOH[18O]DOH- + 4OH- -Al(OH)4- + [18O]D- + OH- + [18O]T- + OH- = Al[18O]DOH[18O]TOH- + 4OH- -Al(OH)4- + [18O]D- + OD- + OH- + OH- = Al[18O]DODOHOH- + 4OH- -Al(OH)4- + [18O]D- + OD- + OH- + OT- = Al[18O]DODOHOT- + 4OH- -Al(OH)4- + [18O]D- + OD- + OH- + [18O]H- = Al[18O]DODOH[18O]H- + 4OH- -Al(OH)4- + [18O]D- + OD- + OT- + OH- = Al[18O]DODOTOH- + 4OH- -Al(OH)4- + [18O]D- + OD- + [18O]H- + OH- = Al[18O]DOD[18O]HOH- + 4OH- -Al(OH)4- + [18O]D- + OT- + OH- + OH- = Al[18O]DOTOHOH- + 4OH- -Al(OH)4- + [18O]D- + OT- + OH- + OD- = Al[18O]DOTOHOD- + 4OH- -Al(OH)4- + [18O]D- + OT- + OH- + [18O]H- = Al[18O]DOTOH[18O]H- + 4OH- -Al(OH)4- + [18O]D- + OT- + OD- + OH- = Al[18O]DOTODOH- + 4OH- -Al(OH)4- + [18O]D- + OT- + [18O]H- + OH- = Al[18O]DOT[18O]HOH- + 4OH- -Al(OH)4- + [18O]D- + [18O]H- + OH- + OH- = Al[18O]D[18O]HOHOH- + 4OH- -Al(OH)4- + [18O]D- + [18O]H- + OH- + OD- = Al[18O]D[18O]HOHOD- + 4OH- -Al(OH)4- + [18O]D- + [18O]H- + OH- + OT- = Al[18O]D[18O]HOHOT- + 4OH- -Al(OH)4- + [18O]D- + [18O]H- + OD- + OH- = Al[18O]D[18O]HODOH- + 4OH- -Al(OH)4- + [18O]D- + [18O]H- + OT- + OH- = Al[18O]D[18O]HOTOH- + 4OH- -Al(OH)4- + [18O]D- + [18O]D- + OH- + OH- = Al[18O]D[18O]DOHOH- + 4OH- -Al(OH)4- + [18O]D- + [18O]T- + OH- + OH- = Al[18O]D[18O]TOHOH- + 4OH- -Al(OH)4- + [18O]T- + OH- + OH- + OH- = Al[18O]TOHOHOH- + 4OH- -Al(OH)4- + [18O]T- + OH- + OH- + OD- = Al[18O]TOHOHOD- + 4OH- -Al(OH)4- + [18O]T- + OH- + OH- + [18O]H- = Al[18O]TOHOH[18O]H- + 4OH- -Al(OH)4- + [18O]T- + OH- + OH- + [18O]D- = Al[18O]TOHOH[18O]D- + 4OH- -Al(OH)4- + [18O]T- + OH- + OD- + OH- = Al[18O]TOHODOH- + 4OH- -Al(OH)4- + [18O]T- + OH- + OD- + OD- = Al[18O]TOHODOD- + 4OH- -Al(OH)4- + [18O]T- + OH- + OD- + [18O]H- = Al[18O]TOHOD[18O]H- + 4OH- -Al(OH)4- + [18O]T- + OH- + [18O]H- + OH- = Al[18O]TOH[18O]HOH- + 4OH- -Al(OH)4- + [18O]T- + OH- + [18O]H- + OD- = Al[18O]TOH[18O]HOD- + 4OH- -Al(OH)4- + [18O]T- + OH- + [18O]D- + OH- = Al[18O]TOH[18O]DOH- + 4OH- -Al(OH)4- + [18O]T- + OD- + OH- + OH- = Al[18O]TODOHOH- + 4OH- -Al(OH)4- + [18O]T- + OD- + OH- + OD- = Al[18O]TODOHOD- + 4OH- -Al(OH)4- + [18O]T- + OD- + OH- + [18O]H- = Al[18O]TODOH[18O]H- + 4OH- -Al(OH)4- + [18O]T- + OD- + OD- + OH- = Al[18O]TODODOH- + 4OH- -Al(OH)4- + [18O]T- + OD- + [18O]H- + OH- = Al[18O]TOD[18O]HOH- + 4OH- -Al(OH)4- + [18O]T- + [18O]H- + OH- + OH- = Al[18O]T[18O]HOHOH- + 4OH- -Al(OH)4- + [18O]T- + [18O]H- + OH- + OD- = Al[18O]T[18O]HOHOD- + 4OH- -Al(OH)4- + [18O]T- + [18O]H- + OD- + OH- = Al[18O]T[18O]HODOH- + 4OH- -Al(OH)4- + [18O]T- + [18O]D- + OH- + OH- = Al[18O]T[18O]DOHOH- + 4OH- +Al(OH)4- + OH- + OH- + OH- + OD- = AlOHOHOHOD- + 4 OH- +Al(OH)4- + OH- + OH- + OH- + OT- = AlOHOHOHOT- + 4 OH- +Al(OH)4- + OH- + OH- + OH- + [18O]H- = AlOHOHOH[18O]H- + 4 OH- +Al(OH)4- + OH- + OH- + OH- + [18O]D- = AlOHOHOH[18O]D- + 4 OH- +Al(OH)4- + OH- + OH- + OH- + [18O]T- = AlOHOHOH[18O]T- + 4 OH- +Al(OH)4- + OH- + OH- + OD- + OH- = AlOHOHODOH- + 4 OH- +Al(OH)4- + OH- + OH- + OD- + OD- = AlOHOHODOD- + 4 OH- +Al(OH)4- + OH- + OH- + OD- + OT- = AlOHOHODOT- + 4 OH- +Al(OH)4- + OH- + OH- + OD- + [18O]H- = AlOHOHOD[18O]H- + 4 OH- +Al(OH)4- + OH- + OH- + OD- + [18O]D- = AlOHOHOD[18O]D- + 4 OH- +Al(OH)4- + OH- + OH- + OD- + [18O]T- = AlOHOHOD[18O]T- + 4 OH- +Al(OH)4- + OH- + OH- + OT- + OH- = AlOHOHOTOH- + 4 OH- +Al(OH)4- + OH- + OH- + OT- + OD- = AlOHOHOTOD- + 4 OH- +Al(OH)4- + OH- + OH- + OT- + [18O]H- = AlOHOHOT[18O]H- + 4 OH- +Al(OH)4- + OH- + OH- + OT- + [18O]D- = AlOHOHOT[18O]D- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]H- + OH- = AlOHOH[18O]HOH- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]H- + OD- = AlOHOH[18O]HOD- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]H- + OT- = AlOHOH[18O]HOT- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]H- + [18O]H- = AlOHOH[18O]H[18O]H- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]H- + [18O]D- = AlOHOH[18O]H[18O]D- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]H- + [18O]T- = AlOHOH[18O]H[18O]T- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]D- + OH- = AlOHOH[18O]DOH- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]D- + OD- = AlOHOH[18O]DOD- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]D- + OT- = AlOHOH[18O]DOT- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]D- + [18O]H- = AlOHOH[18O]D[18O]H- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]D- + [18O]D- = AlOHOH[18O]D[18O]D- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]D- + [18O]T- = AlOHOH[18O]D[18O]T- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]T- + OH- = AlOHOH[18O]TOH- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]T- + OD- = AlOHOH[18O]TOD- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]T- + [18O]H- = AlOHOH[18O]T[18O]H- + 4 OH- +Al(OH)4- + OH- + OH- + [18O]T- + [18O]D- = AlOHOH[18O]T[18O]D- + 4 OH- +Al(OH)4- + OH- + OD- + OH- + OH- = AlOHODOHOH- + 4 OH- +Al(OH)4- + OH- + OD- + OH- + OD- = AlOHODOHOD- + 4 OH- +Al(OH)4- + OH- + OD- + OH- + OT- = AlOHODOHOT- + 4 OH- +Al(OH)4- + OH- + OD- + OH- + [18O]H- = AlOHODOH[18O]H- + 4 OH- +Al(OH)4- + OH- + OD- + OH- + [18O]D- = AlOHODOH[18O]D- + 4 OH- +Al(OH)4- + OH- + OD- + OH- + [18O]T- = AlOHODOH[18O]T- + 4 OH- +Al(OH)4- + OH- + OD- + OD- + OH- = AlOHODODOH- + 4 OH- +Al(OH)4- + OH- + OD- + OD- + OT- = AlOHODODOT- + 4 OH- +Al(OH)4- + OH- + OD- + OD- + [18O]H- = AlOHODOD[18O]H- + 4 OH- +Al(OH)4- + OH- + OD- + OD- + [18O]T- = AlOHODOD[18O]T- + 4 OH- +Al(OH)4- + OH- + OD- + OT- + OH- = AlOHODOTOH- + 4 OH- +Al(OH)4- + OH- + OD- + OT- + OD- = AlOHODOTOD- + 4 OH- +Al(OH)4- + OH- + OD- + OT- + [18O]H- = AlOHODOT[18O]H- + 4 OH- +Al(OH)4- + OH- + OD- + OT- + [18O]D- = AlOHODOT[18O]D- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]H- + OH- = AlOHOD[18O]HOH- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]H- + OD- = AlOHOD[18O]HOD- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]H- + OT- = AlOHOD[18O]HOT- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]H- + [18O]H- = AlOHOD[18O]H[18O]H- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]H- + [18O]D- = AlOHOD[18O]H[18O]D- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]H- + [18O]T- = AlOHOD[18O]H[18O]T- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]D- + OH- = AlOHOD[18O]DOH- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]D- + OT- = AlOHOD[18O]DOT- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]D- + [18O]H- = AlOHOD[18O]D[18O]H- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]T- + OH- = AlOHOD[18O]TOH- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]T- + OD- = AlOHOD[18O]TOD- + 4 OH- +Al(OH)4- + OH- + OD- + [18O]T- + [18O]H- = AlOHOD[18O]T[18O]H- + 4 OH- +Al(OH)4- + OH- + OT- + OH- + OH- = AlOHOTOHOH- + 4 OH- +Al(OH)4- + OH- + OT- + OH- + OD- = AlOHOTOHOD- + 4 OH- +Al(OH)4- + OH- + OT- + OH- + [18O]H- = AlOHOTOH[18O]H- + 4 OH- +Al(OH)4- + OH- + OT- + OH- + [18O]D- = AlOHOTOH[18O]D- + 4 OH- +Al(OH)4- + OH- + OT- + OD- + OH- = AlOHOTODOH- + 4 OH- +Al(OH)4- + OH- + OT- + OD- + OD- = AlOHOTODOD- + 4 OH- +Al(OH)4- + OH- + OT- + OD- + [18O]H- = AlOHOTOD[18O]H- + 4 OH- +Al(OH)4- + OH- + OT- + OD- + [18O]D- = AlOHOTOD[18O]D- + 4 OH- +Al(OH)4- + OH- + OT- + [18O]H- + OH- = AlOHOT[18O]HOH- + 4 OH- +Al(OH)4- + OH- + OT- + [18O]H- + OD- = AlOHOT[18O]HOD- + 4 OH- +Al(OH)4- + OH- + OT- + [18O]H- + [18O]H- = AlOHOT[18O]H[18O]H- + 4 OH- +Al(OH)4- + OH- + OT- + [18O]H- + [18O]D- = AlOHOT[18O]H[18O]D- + 4 OH- +Al(OH)4- + OH- + OT- + [18O]D- + OH- = AlOHOT[18O]DOH- + 4 OH- +Al(OH)4- + OH- + OT- + [18O]D- + OD- = AlOHOT[18O]DOD- + 4 OH- +Al(OH)4- + OH- + OT- + [18O]D- + [18O]H- = AlOHOT[18O]D[18O]H- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OH- + OH- = AlOH[18O]HOHOH- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OH- + OD- = AlOH[18O]HOHOD- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OH- + OT- = AlOH[18O]HOHOT- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OH- + [18O]H- = AlOH[18O]HOH[18O]H- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OH- + [18O]D- = AlOH[18O]HOH[18O]D- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OH- + [18O]T- = AlOH[18O]HOH[18O]T- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OD- + OH- = AlOH[18O]HODOH- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OD- + OD- = AlOH[18O]HODOD- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OD- + OT- = AlOH[18O]HODOT- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OD- + [18O]H- = AlOH[18O]HOD[18O]H- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OD- + [18O]D- = AlOH[18O]HOD[18O]D- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OD- + [18O]T- = AlOH[18O]HOD[18O]T- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OT- + OH- = AlOH[18O]HOTOH- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OT- + OD- = AlOH[18O]HOTOD- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OT- + [18O]H- = AlOH[18O]HOT[18O]H- + 4 OH- +Al(OH)4- + OH- + [18O]H- + OT- + [18O]D- = AlOH[18O]HOT[18O]D- + 4 OH- +Al(OH)4- + OH- + [18O]H- + [18O]H- + OH- = AlOH[18O]H[18O]HOH- + 4 OH- +Al(OH)4- + OH- + [18O]H- + [18O]H- + OD- = AlOH[18O]H[18O]HOD- + 4 OH- +Al(OH)4- + OH- + [18O]H- + [18O]H- + OT- = AlOH[18O]H[18O]HOT- + 4 OH- +Al(OH)4- + OH- + [18O]H- + [18O]D- + OH- = AlOH[18O]H[18O]DOH- + 4 OH- +Al(OH)4- + OH- + [18O]H- + [18O]D- + OD- = AlOH[18O]H[18O]DOD- + 4 OH- +Al(OH)4- + OH- + [18O]H- + [18O]D- + OT- = AlOH[18O]H[18O]DOT- + 4 OH- +Al(OH)4- + OH- + [18O]H- + [18O]T- + OH- = AlOH[18O]H[18O]TOH- + 4 OH- +Al(OH)4- + OH- + [18O]H- + [18O]T- + OD- = AlOH[18O]H[18O]TOD- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OH- + OH- = AlOH[18O]DOHOH- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OH- + OD- = AlOH[18O]DOHOD- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OH- + OT- = AlOH[18O]DOHOT- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OH- + [18O]H- = AlOH[18O]DOH[18O]H- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OH- + [18O]D- = AlOH[18O]DOH[18O]D- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OH- + [18O]T- = AlOH[18O]DOH[18O]T- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OD- + OH- = AlOH[18O]DODOH- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OD- + OT- = AlOH[18O]DODOT- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OD- + [18O]H- = AlOH[18O]DOD[18O]H- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OT- + OH- = AlOH[18O]DOTOH- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OT- + OD- = AlOH[18O]DOTOD- + 4 OH- +Al(OH)4- + OH- + [18O]D- + OT- + [18O]H- = AlOH[18O]DOT[18O]H- + 4 OH- +Al(OH)4- + OH- + [18O]D- + [18O]H- + OH- = AlOH[18O]D[18O]HOH- + 4 OH- +Al(OH)4- + OH- + [18O]D- + [18O]H- + OD- = AlOH[18O]D[18O]HOD- + 4 OH- +Al(OH)4- + OH- + [18O]D- + [18O]H- + OT- = AlOH[18O]D[18O]HOT- + 4 OH- +Al(OH)4- + OH- + [18O]D- + [18O]D- + OH- = AlOH[18O]D[18O]DOH- + 4 OH- +Al(OH)4- + OH- + [18O]D- + [18O]T- + OH- = AlOH[18O]D[18O]TOH- + 4 OH- +Al(OH)4- + OH- + [18O]T- + OH- + OH- = AlOH[18O]TOHOH- + 4 OH- +Al(OH)4- + OH- + [18O]T- + OH- + OD- = AlOH[18O]TOHOD- + 4 OH- +Al(OH)4- + OH- + [18O]T- + OH- + [18O]H- = AlOH[18O]TOH[18O]H- + 4 OH- +Al(OH)4- + OH- + [18O]T- + OH- + [18O]D- = AlOH[18O]TOH[18O]D- + 4 OH- +Al(OH)4- + OH- + [18O]T- + OD- + OH- = AlOH[18O]TODOH- + 4 OH- +Al(OH)4- + OH- + [18O]T- + OD- + OD- = AlOH[18O]TODOD- + 4 OH- +Al(OH)4- + OH- + [18O]T- + OD- + [18O]H- = AlOH[18O]TOD[18O]H- + 4 OH- +Al(OH)4- + OH- + [18O]T- + [18O]H- + OH- = AlOH[18O]T[18O]HOH- + 4 OH- +Al(OH)4- + OH- + [18O]T- + [18O]H- + OD- = AlOH[18O]T[18O]HOD- + 4 OH- +Al(OH)4- + OH- + [18O]T- + [18O]D- + OH- = AlOH[18O]T[18O]DOH- + 4 OH- +Al(OH)4- + OD- + OH- + OH- + OH- = AlODOHOHOH- + 4 OH- +Al(OH)4- + OD- + OH- + OH- + OD- = AlODOHOHOD- + 4 OH- +Al(OH)4- + OD- + OH- + OH- + OT- = AlODOHOHOT- + 4 OH- +Al(OH)4- + OD- + OH- + OH- + [18O]H- = AlODOHOH[18O]H- + 4 OH- +Al(OH)4- + OD- + OH- + OH- + [18O]D- = AlODOHOH[18O]D- + 4 OH- +Al(OH)4- + OD- + OH- + OH- + [18O]T- = AlODOHOH[18O]T- + 4 OH- +Al(OH)4- + OD- + OH- + OD- + OH- = AlODOHODOH- + 4 OH- +Al(OH)4- + OD- + OH- + OD- + OT- = AlODOHODOT- + 4 OH- +Al(OH)4- + OD- + OH- + OD- + [18O]H- = AlODOHOD[18O]H- + 4 OH- +Al(OH)4- + OD- + OH- + OD- + [18O]T- = AlODOHOD[18O]T- + 4 OH- +Al(OH)4- + OD- + OH- + OT- + OH- = AlODOHOTOH- + 4 OH- +Al(OH)4- + OD- + OH- + OT- + OD- = AlODOHOTOD- + 4 OH- +Al(OH)4- + OD- + OH- + OT- + [18O]H- = AlODOHOT[18O]H- + 4 OH- +Al(OH)4- + OD- + OH- + OT- + [18O]D- = AlODOHOT[18O]D- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]H- + OH- = AlODOH[18O]HOH- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]H- + OD- = AlODOH[18O]HOD- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]H- + OT- = AlODOH[18O]HOT- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]H- + [18O]H- = AlODOH[18O]H[18O]H- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]H- + [18O]D- = AlODOH[18O]H[18O]D- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]H- + [18O]T- = AlODOH[18O]H[18O]T- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]D- + OH- = AlODOH[18O]DOH- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]D- + OT- = AlODOH[18O]DOT- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]D- + [18O]H- = AlODOH[18O]D[18O]H- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]T- + OH- = AlODOH[18O]TOH- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]T- + OD- = AlODOH[18O]TOD- + 4 OH- +Al(OH)4- + OD- + OH- + [18O]T- + [18O]H- = AlODOH[18O]T[18O]H- + 4 OH- +Al(OH)4- + OD- + OD- + OH- + OH- = AlODODOHOH- + 4 OH- +Al(OH)4- + OD- + OD- + OH- + OT- = AlODODOHOT- + 4 OH- +Al(OH)4- + OD- + OD- + OH- + [18O]H- = AlODODOH[18O]H- + 4 OH- +Al(OH)4- + OD- + OD- + OH- + [18O]T- = AlODODOH[18O]T- + 4 OH- +Al(OH)4- + OD- + OD- + OT- + OH- = AlODODOTOH- + 4 OH- +Al(OH)4- + OD- + OD- + OT- + [18O]H- = AlODODOT[18O]H- + 4 OH- +Al(OH)4- + OD- + OD- + [18O]H- + OH- = AlODOD[18O]HOH- + 4 OH- +Al(OH)4- + OD- + OD- + [18O]H- + OT- = AlODOD[18O]HOT- + 4 OH- +Al(OH)4- + OD- + OD- + [18O]H- + [18O]H- = AlODOD[18O]H[18O]H- + 4 OH- +Al(OH)4- + OD- + OD- + [18O]T- + OH- = AlODOD[18O]TOH- + 4 OH- +Al(OH)4- + OD- + OT- + OH- + OH- = AlODOTOHOH- + 4 OH- +Al(OH)4- + OD- + OT- + OH- + OD- = AlODOTOHOD- + 4 OH- +Al(OH)4- + OD- + OT- + OH- + [18O]H- = AlODOTOH[18O]H- + 4 OH- +Al(OH)4- + OD- + OT- + OH- + [18O]D- = AlODOTOH[18O]D- + 4 OH- +Al(OH)4- + OD- + OT- + OD- + OH- = AlODOTODOH- + 4 OH- +Al(OH)4- + OD- + OT- + OD- + [18O]H- = AlODOTOD[18O]H- + 4 OH- +Al(OH)4- + OD- + OT- + [18O]H- + OH- = AlODOT[18O]HOH- + 4 OH- +Al(OH)4- + OD- + OT- + [18O]H- + OD- = AlODOT[18O]HOD- + 4 OH- +Al(OH)4- + OD- + OT- + [18O]H- + [18O]H- = AlODOT[18O]H[18O]H- + 4 OH- +Al(OH)4- + OD- + OT- + [18O]D- + OH- = AlODOT[18O]DOH- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OH- + OH- = AlOD[18O]HOHOH- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OH- + OD- = AlOD[18O]HOHOD- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OH- + OT- = AlOD[18O]HOHOT- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OH- + [18O]H- = AlOD[18O]HOH[18O]H- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OH- + [18O]D- = AlOD[18O]HOH[18O]D- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OH- + [18O]T- = AlOD[18O]HOH[18O]T- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OD- + OH- = AlOD[18O]HODOH- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OD- + OT- = AlOD[18O]HODOT- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OD- + [18O]H- = AlOD[18O]HOD[18O]H- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OT- + OH- = AlOD[18O]HOTOH- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OT- + OD- = AlOD[18O]HOTOD- + 4 OH- +Al(OH)4- + OD- + [18O]H- + OT- + [18O]H- = AlOD[18O]HOT[18O]H- + 4 OH- +Al(OH)4- + OD- + [18O]H- + [18O]H- + OH- = AlOD[18O]H[18O]HOH- + 4 OH- +Al(OH)4- + OD- + [18O]H- + [18O]H- + OD- = AlOD[18O]H[18O]HOD- + 4 OH- +Al(OH)4- + OD- + [18O]H- + [18O]H- + OT- = AlOD[18O]H[18O]HOT- + 4 OH- +Al(OH)4- + OD- + [18O]H- + [18O]D- + OH- = AlOD[18O]H[18O]DOH- + 4 OH- +Al(OH)4- + OD- + [18O]H- + [18O]T- + OH- = AlOD[18O]H[18O]TOH- + 4 OH- +Al(OH)4- + OD- + [18O]D- + OH- + OH- = AlOD[18O]DOHOH- + 4 OH- +Al(OH)4- + OD- + [18O]D- + OH- + OT- = AlOD[18O]DOHOT- + 4 OH- +Al(OH)4- + OD- + [18O]D- + OH- + [18O]H- = AlOD[18O]DOH[18O]H- + 4 OH- +Al(OH)4- + OD- + [18O]D- + OT- + OH- = AlOD[18O]DOTOH- + 4 OH- +Al(OH)4- + OD- + [18O]D- + [18O]H- + OH- = AlOD[18O]D[18O]HOH- + 4 OH- +Al(OH)4- + OD- + [18O]T- + OH- + OH- = AlOD[18O]TOHOH- + 4 OH- +Al(OH)4- + OD- + [18O]T- + OH- + OD- = AlOD[18O]TOHOD- + 4 OH- +Al(OH)4- + OD- + [18O]T- + OH- + [18O]H- = AlOD[18O]TOH[18O]H- + 4 OH- +Al(OH)4- + OD- + [18O]T- + OD- + OH- = AlOD[18O]TODOH- + 4 OH- +Al(OH)4- + OD- + [18O]T- + [18O]H- + OH- = AlOD[18O]T[18O]HOH- + 4 OH- +Al(OH)4- + OT- + OH- + OH- + OH- = AlOTOHOHOH- + 4 OH- +Al(OH)4- + OT- + OH- + OH- + OD- = AlOTOHOHOD- + 4 OH- +Al(OH)4- + OT- + OH- + OH- + [18O]H- = AlOTOHOH[18O]H- + 4 OH- +Al(OH)4- + OT- + OH- + OH- + [18O]D- = AlOTOHOH[18O]D- + 4 OH- +Al(OH)4- + OT- + OH- + OD- + OH- = AlOTOHODOH- + 4 OH- +Al(OH)4- + OT- + OH- + OD- + OD- = AlOTOHODOD- + 4 OH- +Al(OH)4- + OT- + OH- + OD- + [18O]H- = AlOTOHOD[18O]H- + 4 OH- +Al(OH)4- + OT- + OH- + OD- + [18O]D- = AlOTOHOD[18O]D- + 4 OH- +Al(OH)4- + OT- + OH- + [18O]H- + OH- = AlOTOH[18O]HOH- + 4 OH- +Al(OH)4- + OT- + OH- + [18O]H- + OD- = AlOTOH[18O]HOD- + 4 OH- +Al(OH)4- + OT- + OH- + [18O]H- + [18O]H- = AlOTOH[18O]H[18O]H- + 4 OH- +Al(OH)4- + OT- + OH- + [18O]H- + [18O]D- = AlOTOH[18O]H[18O]D- + 4 OH- +Al(OH)4- + OT- + OH- + [18O]D- + OH- = AlOTOH[18O]DOH- + 4 OH- +Al(OH)4- + OT- + OH- + [18O]D- + OD- = AlOTOH[18O]DOD- + 4 OH- +Al(OH)4- + OT- + OH- + [18O]D- + [18O]H- = AlOTOH[18O]D[18O]H- + 4 OH- +Al(OH)4- + OT- + OD- + OH- + OH- = AlOTODOHOH- + 4 OH- +Al(OH)4- + OT- + OD- + OH- + OD- = AlOTODOHOD- + 4 OH- +Al(OH)4- + OT- + OD- + OH- + [18O]H- = AlOTODOH[18O]H- + 4 OH- +Al(OH)4- + OT- + OD- + OH- + [18O]D- = AlOTODOH[18O]D- + 4 OH- +Al(OH)4- + OT- + OD- + OD- + OH- = AlOTODODOH- + 4 OH- +Al(OH)4- + OT- + OD- + OD- + [18O]H- = AlOTODOD[18O]H- + 4 OH- +Al(OH)4- + OT- + OD- + [18O]H- + OH- = AlOTOD[18O]HOH- + 4 OH- +Al(OH)4- + OT- + OD- + [18O]H- + OD- = AlOTOD[18O]HOD- + 4 OH- +Al(OH)4- + OT- + OD- + [18O]H- + [18O]H- = AlOTOD[18O]H[18O]H- + 4 OH- +Al(OH)4- + OT- + OD- + [18O]D- + OH- = AlOTOD[18O]DOH- + 4 OH- +Al(OH)4- + OT- + [18O]H- + OH- + OH- = AlOT[18O]HOHOH- + 4 OH- +Al(OH)4- + OT- + [18O]H- + OH- + OD- = AlOT[18O]HOHOD- + 4 OH- +Al(OH)4- + OT- + [18O]H- + OH- + [18O]H- = AlOT[18O]HOH[18O]H- + 4 OH- +Al(OH)4- + OT- + [18O]H- + OH- + [18O]D- = AlOT[18O]HOH[18O]D- + 4 OH- +Al(OH)4- + OT- + [18O]H- + OD- + OH- = AlOT[18O]HODOH- + 4 OH- +Al(OH)4- + OT- + [18O]H- + OD- + OD- = AlOT[18O]HODOD- + 4 OH- +Al(OH)4- + OT- + [18O]H- + OD- + [18O]H- = AlOT[18O]HOD[18O]H- + 4 OH- +Al(OH)4- + OT- + [18O]H- + [18O]H- + OH- = AlOT[18O]H[18O]HOH- + 4 OH- +Al(OH)4- + OT- + [18O]H- + [18O]H- + OD- = AlOT[18O]H[18O]HOD- + 4 OH- +Al(OH)4- + OT- + [18O]H- + [18O]D- + OH- = AlOT[18O]H[18O]DOH- + 4 OH- +Al(OH)4- + OT- + [18O]D- + OH- + OH- = AlOT[18O]DOHOH- + 4 OH- +Al(OH)4- + OT- + [18O]D- + OH- + OD- = AlOT[18O]DOHOD- + 4 OH- +Al(OH)4- + OT- + [18O]D- + OH- + [18O]H- = AlOT[18O]DOH[18O]H- + 4 OH- +Al(OH)4- + OT- + [18O]D- + OD- + OH- = AlOT[18O]DODOH- + 4 OH- +Al(OH)4- + OT- + [18O]D- + [18O]H- + OH- = AlOT[18O]D[18O]HOH- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OH- + OH- = Al[18O]HOHOHOH- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OH- + OD- = Al[18O]HOHOHOD- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OH- + OT- = Al[18O]HOHOHOT- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OH- + [18O]H- = Al[18O]HOHOH[18O]H- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OH- + [18O]D- = Al[18O]HOHOH[18O]D- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OH- + [18O]T- = Al[18O]HOHOH[18O]T- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OD- + OH- = Al[18O]HOHODOH- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OD- + OD- = Al[18O]HOHODOD- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OD- + OT- = Al[18O]HOHODOT- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OD- + [18O]H- = Al[18O]HOHOD[18O]H- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OD- + [18O]D- = Al[18O]HOHOD[18O]D- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OD- + [18O]T- = Al[18O]HOHOD[18O]T- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OT- + OH- = Al[18O]HOHOTOH- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OT- + OD- = Al[18O]HOHOTOD- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OT- + [18O]H- = Al[18O]HOHOT[18O]H- + 4 OH- +Al(OH)4- + [18O]H- + OH- + OT- + [18O]D- = Al[18O]HOHOT[18O]D- + 4 OH- +Al(OH)4- + [18O]H- + OH- + [18O]H- + OH- = Al[18O]HOH[18O]HOH- + 4 OH- +Al(OH)4- + [18O]H- + OH- + [18O]H- + OD- = Al[18O]HOH[18O]HOD- + 4 OH- +Al(OH)4- + [18O]H- + OH- + [18O]H- + OT- = Al[18O]HOH[18O]HOT- + 4 OH- +Al(OH)4- + [18O]H- + OH- + [18O]D- + OH- = Al[18O]HOH[18O]DOH- + 4 OH- +Al(OH)4- + [18O]H- + OH- + [18O]D- + OD- = Al[18O]HOH[18O]DOD- + 4 OH- +Al(OH)4- + [18O]H- + OH- + [18O]D- + OT- = Al[18O]HOH[18O]DOT- + 4 OH- +Al(OH)4- + [18O]H- + OH- + [18O]T- + OH- = Al[18O]HOH[18O]TOH- + 4 OH- +Al(OH)4- + [18O]H- + OH- + [18O]T- + OD- = Al[18O]HOH[18O]TOD- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OH- + OH- = Al[18O]HODOHOH- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OH- + OD- = Al[18O]HODOHOD- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OH- + OT- = Al[18O]HODOHOT- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OH- + [18O]H- = Al[18O]HODOH[18O]H- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OH- + [18O]D- = Al[18O]HODOH[18O]D- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OH- + [18O]T- = Al[18O]HODOH[18O]T- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OD- + OH- = Al[18O]HODODOH- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OD- + OT- = Al[18O]HODODOT- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OD- + [18O]H- = Al[18O]HODOD[18O]H- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OT- + OH- = Al[18O]HODOTOH- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OT- + OD- = Al[18O]HODOTOD- + 4 OH- +Al(OH)4- + [18O]H- + OD- + OT- + [18O]H- = Al[18O]HODOT[18O]H- + 4 OH- +Al(OH)4- + [18O]H- + OD- + [18O]H- + OH- = Al[18O]HOD[18O]HOH- + 4 OH- +Al(OH)4- + [18O]H- + OD- + [18O]H- + OD- = Al[18O]HOD[18O]HOD- + 4 OH- +Al(OH)4- + [18O]H- + OD- + [18O]H- + OT- = Al[18O]HOD[18O]HOT- + 4 OH- +Al(OH)4- + [18O]H- + OD- + [18O]D- + OH- = Al[18O]HOD[18O]DOH- + 4 OH- +Al(OH)4- + [18O]H- + OD- + [18O]T- + OH- = Al[18O]HOD[18O]TOH- + 4 OH- +Al(OH)4- + [18O]H- + OT- + OH- + OH- = Al[18O]HOTOHOH- + 4 OH- +Al(OH)4- + [18O]H- + OT- + OH- + OD- = Al[18O]HOTOHOD- + 4 OH- +Al(OH)4- + [18O]H- + OT- + OH- + [18O]H- = Al[18O]HOTOH[18O]H- + 4 OH- +Al(OH)4- + [18O]H- + OT- + OH- + [18O]D- = Al[18O]HOTOH[18O]D- + 4 OH- +Al(OH)4- + [18O]H- + OT- + OD- + OH- = Al[18O]HOTODOH- + 4 OH- +Al(OH)4- + [18O]H- + OT- + OD- + OD- = Al[18O]HOTODOD- + 4 OH- +Al(OH)4- + [18O]H- + OT- + OD- + [18O]H- = Al[18O]HOTOD[18O]H- + 4 OH- +Al(OH)4- + [18O]H- + OT- + [18O]H- + OH- = Al[18O]HOT[18O]HOH- + 4 OH- +Al(OH)4- + [18O]H- + OT- + [18O]H- + OD- = Al[18O]HOT[18O]HOD- + 4 OH- +Al(OH)4- + [18O]H- + OT- + [18O]D- + OH- = Al[18O]HOT[18O]DOH- + 4 OH- +Al(OH)4- + [18O]H- + [18O]H- + OH- + OH- = Al[18O]H[18O]HOHOH- + 4 OH- +Al(OH)4- + [18O]H- + [18O]H- + OH- + OD- = Al[18O]H[18O]HOHOD- + 4 OH- +Al(OH)4- + [18O]H- + [18O]H- + OH- + OT- = Al[18O]H[18O]HOHOT- + 4 OH- +Al(OH)4- + [18O]H- + [18O]H- + OD- + OH- = Al[18O]H[18O]HODOH- + 4 OH- +Al(OH)4- + [18O]H- + [18O]H- + OD- + OD- = Al[18O]H[18O]HODOD- + 4 OH- +Al(OH)4- + [18O]H- + [18O]H- + OD- + OT- = Al[18O]H[18O]HODOT- + 4 OH- +Al(OH)4- + [18O]H- + [18O]H- + OT- + OH- = Al[18O]H[18O]HOTOH- + 4 OH- +Al(OH)4- + [18O]H- + [18O]H- + OT- + OD- = Al[18O]H[18O]HOTOD- + 4 OH- +Al(OH)4- + [18O]H- + [18O]D- + OH- + OH- = Al[18O]H[18O]DOHOH- + 4 OH- +Al(OH)4- + [18O]H- + [18O]D- + OH- + OD- = Al[18O]H[18O]DOHOD- + 4 OH- +Al(OH)4- + [18O]H- + [18O]D- + OH- + OT- = Al[18O]H[18O]DOHOT- + 4 OH- +Al(OH)4- + [18O]H- + [18O]D- + OD- + OH- = Al[18O]H[18O]DODOH- + 4 OH- +Al(OH)4- + [18O]H- + [18O]D- + OT- + OH- = Al[18O]H[18O]DOTOH- + 4 OH- +Al(OH)4- + [18O]H- + [18O]T- + OH- + OH- = Al[18O]H[18O]TOHOH- + 4 OH- +Al(OH)4- + [18O]H- + [18O]T- + OH- + OD- = Al[18O]H[18O]TOHOD- + 4 OH- +Al(OH)4- + [18O]H- + [18O]T- + OD- + OH- = Al[18O]H[18O]TODOH- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OH- + OH- = Al[18O]DOHOHOH- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OH- + OD- = Al[18O]DOHOHOD- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OH- + OT- = Al[18O]DOHOHOT- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OH- + [18O]H- = Al[18O]DOHOH[18O]H- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OH- + [18O]D- = Al[18O]DOHOH[18O]D- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OH- + [18O]T- = Al[18O]DOHOH[18O]T- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OD- + OH- = Al[18O]DOHODOH- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OD- + OT- = Al[18O]DOHODOT- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OD- + [18O]H- = Al[18O]DOHOD[18O]H- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OT- + OH- = Al[18O]DOHOTOH- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OT- + OD- = Al[18O]DOHOTOD- + 4 OH- +Al(OH)4- + [18O]D- + OH- + OT- + [18O]H- = Al[18O]DOHOT[18O]H- + 4 OH- +Al(OH)4- + [18O]D- + OH- + [18O]H- + OH- = Al[18O]DOH[18O]HOH- + 4 OH- +Al(OH)4- + [18O]D- + OH- + [18O]H- + OD- = Al[18O]DOH[18O]HOD- + 4 OH- +Al(OH)4- + [18O]D- + OH- + [18O]H- + OT- = Al[18O]DOH[18O]HOT- + 4 OH- +Al(OH)4- + [18O]D- + OH- + [18O]D- + OH- = Al[18O]DOH[18O]DOH- + 4 OH- +Al(OH)4- + [18O]D- + OH- + [18O]T- + OH- = Al[18O]DOH[18O]TOH- + 4 OH- +Al(OH)4- + [18O]D- + OD- + OH- + OH- = Al[18O]DODOHOH- + 4 OH- +Al(OH)4- + [18O]D- + OD- + OH- + OT- = Al[18O]DODOHOT- + 4 OH- +Al(OH)4- + [18O]D- + OD- + OH- + [18O]H- = Al[18O]DODOH[18O]H- + 4 OH- +Al(OH)4- + [18O]D- + OD- + OT- + OH- = Al[18O]DODOTOH- + 4 OH- +Al(OH)4- + [18O]D- + OD- + [18O]H- + OH- = Al[18O]DOD[18O]HOH- + 4 OH- +Al(OH)4- + [18O]D- + OT- + OH- + OH- = Al[18O]DOTOHOH- + 4 OH- +Al(OH)4- + [18O]D- + OT- + OH- + OD- = Al[18O]DOTOHOD- + 4 OH- +Al(OH)4- + [18O]D- + OT- + OH- + [18O]H- = Al[18O]DOTOH[18O]H- + 4 OH- +Al(OH)4- + [18O]D- + OT- + OD- + OH- = Al[18O]DOTODOH- + 4 OH- +Al(OH)4- + [18O]D- + OT- + [18O]H- + OH- = Al[18O]DOT[18O]HOH- + 4 OH- +Al(OH)4- + [18O]D- + [18O]H- + OH- + OH- = Al[18O]D[18O]HOHOH- + 4 OH- +Al(OH)4- + [18O]D- + [18O]H- + OH- + OD- = Al[18O]D[18O]HOHOD- + 4 OH- +Al(OH)4- + [18O]D- + [18O]H- + OH- + OT- = Al[18O]D[18O]HOHOT- + 4 OH- +Al(OH)4- + [18O]D- + [18O]H- + OD- + OH- = Al[18O]D[18O]HODOH- + 4 OH- +Al(OH)4- + [18O]D- + [18O]H- + OT- + OH- = Al[18O]D[18O]HOTOH- + 4 OH- +Al(OH)4- + [18O]D- + [18O]D- + OH- + OH- = Al[18O]D[18O]DOHOH- + 4 OH- +Al(OH)4- + [18O]D- + [18O]T- + OH- + OH- = Al[18O]D[18O]TOHOH- + 4 OH- +Al(OH)4- + [18O]T- + OH- + OH- + OH- = Al[18O]TOHOHOH- + 4 OH- +Al(OH)4- + [18O]T- + OH- + OH- + OD- = Al[18O]TOHOHOD- + 4 OH- +Al(OH)4- + [18O]T- + OH- + OH- + [18O]H- = Al[18O]TOHOH[18O]H- + 4 OH- +Al(OH)4- + [18O]T- + OH- + OH- + [18O]D- = Al[18O]TOHOH[18O]D- + 4 OH- +Al(OH)4- + [18O]T- + OH- + OD- + OH- = Al[18O]TOHODOH- + 4 OH- +Al(OH)4- + [18O]T- + OH- + OD- + OD- = Al[18O]TOHODOD- + 4 OH- +Al(OH)4- + [18O]T- + OH- + OD- + [18O]H- = Al[18O]TOHOD[18O]H- + 4 OH- +Al(OH)4- + [18O]T- + OH- + [18O]H- + OH- = Al[18O]TOH[18O]HOH- + 4 OH- +Al(OH)4- + [18O]T- + OH- + [18O]H- + OD- = Al[18O]TOH[18O]HOD- + 4 OH- +Al(OH)4- + [18O]T- + OH- + [18O]D- + OH- = Al[18O]TOH[18O]DOH- + 4 OH- +Al(OH)4- + [18O]T- + OD- + OH- + OH- = Al[18O]TODOHOH- + 4 OH- +Al(OH)4- + [18O]T- + OD- + OH- + OD- = Al[18O]TODOHOD- + 4 OH- +Al(OH)4- + [18O]T- + OD- + OH- + [18O]H- = Al[18O]TODOH[18O]H- + 4 OH- +Al(OH)4- + [18O]T- + OD- + OD- + OH- = Al[18O]TODODOH- + 4 OH- +Al(OH)4- + [18O]T- + OD- + [18O]H- + OH- = Al[18O]TOD[18O]HOH- + 4 OH- +Al(OH)4- + [18O]T- + [18O]H- + OH- + OH- = Al[18O]T[18O]HOHOH- + 4 OH- +Al(OH)4- + [18O]T- + [18O]H- + OH- + OD- = Al[18O]T[18O]HOHOD- + 4 OH- +Al(OH)4- + [18O]T- + [18O]H- + OD- + OH- = Al[18O]T[18O]HODOH- + 4 OH- +Al(OH)4- + [18O]T- + [18O]D- + OH- + OH- = Al[18O]T[18O]DOHOH- + 4 OH- # # Added AlSO4+ reactions 16Dec09 # @@ -6757,9 +6761,9 @@ AlSO4+ + [34S]O4-2 = Al[34S]O4+ + SO4-2 # Added Al(SO4)2- reactions 16Dec09 # Revised 17Dec09, limited the number of species # -Al(SO4)2- + SO4-2 + [34S]O4-2 = AlSO4[34S]O4- + 2SO4-2 -Al(SO4)2- + [34S]O4-2 + SO4-2 = Al[34S]O4SO4- + 2SO4-2 -Al(SO4)2- + [34S]O4-2 + [34S]O4-2 = Al[34S]O4[34S]O4- + 2SO4-2 +Al(SO4)2- + SO4-2 + [34S]O4-2 = AlSO4[34S]O4- + 2 SO4-2 +Al(SO4)2- + [34S]O4-2 + SO4-2 = Al[34S]O4SO4- + 2 SO4-2 +Al(SO4)2- + [34S]O4-2 + [34S]O4-2 = Al[34S]O4[34S]O4- + 2 SO4-2 # # Added AlHSO4+2 reactions 16Dec09 # @@ -6789,47 +6793,47 @@ PHASES # HDO(g) HDO(g) + H2O(l) = H2O(g) + HDO(aq) - -add_logk Log_alpha_D_H2O(g)/H2O(l) -1.0 + -add_logk Log_alpha_D_H2O(g)/H2O(l) -1 HTO(g) HTO(g) + H2O(l) = H2O(g) + HTO(aq) - -add_logk Log_alpha_T_H2O(g)/H2O(l) -1.0 + -add_logk Log_alpha_T_H2O(g)/H2O(l) -1 DTO(g) DTO(g) + H2O(g) = HDO(g) + HTO(g) - log_k 0.301029995663 # log10(2) + log_k 0.301029995663 # log10(2) D2O(g) - D2O(g) + H2O(g) = 2HDO(g) - log_k 0.602059991327962396 # log10(4) + D2O(g) + H2O(g) = 2 HDO(g) + log_k 0.602059991327962396 # log10(4) T2O(g) - T2O(g) + H2O(g) = 2HTO(g) - log_k 0.602059991327962396 # log10(4) + T2O(g) + H2O(g) = 2 HTO(g) + log_k 0.602059991327962396 # log10(4) H2[18O](g) H2[18O](g) + H2O(l) = H2O(g) + H2[18O](aq) - -add_logk Log_alpha_18O_H2O(g)/H2O(l) -1.0 + -add_logk Log_alpha_18O_H2O(g)/H2O(l) -1 HD[18O](g) HD[18O](g) + H2O(g) = HDO(g) + H2[18O](g) - log_k 0.0 + log_k 0 HT[18O](g) HT[18O](g) + H2O(g) = HTO(g) + H2[18O](g) - log_k 0.0 + log_k 0 D2[18O](g) D2[18O](g) + H2O(g) = D2O(g) + H2[18O](g) - log_k 0.0 + log_k 0 T2[18O](g) T2[18O](g) + H2O(g) = T2O(g) + H2[18O](g) - log_k 0.0 + log_k 0 DT[18O](g) DT[18O](g) + H2O(g) = DTO(g) + H2[18O](g) - log_k 0.0 + log_k 0 # # O2 gas - O2 aqueous # last update March 20, 2006 @@ -6839,11 +6843,11 @@ DT[18O](g) O[18O](g) O[18O](g) + H2O(l) = O2(g) + H2[18O](aq) ## symmetry K ?? - -add_logk Log_alpha_18O_O2(g)/H2O(l) -1.0 + -add_logk Log_alpha_18O_O2(g)/H2O(l) -1 [18O]2(g) - [18O]2(g) + O2(g) = 2O[18O](g) - log_k 0.602059991327962396 # log10(4) + [18O]2(g) + O2(g) = 2 O[18O](g) + log_k 0.602059991327962396 # log10(4) # # H2 gas - H2 aqueous # last update March 20, 2006 @@ -6852,23 +6856,23 @@ O[18O](g) # HD(g) HD(g) + H2O(l) = H2(g) + HDO(aq) - -add_logk Log_alpha_D_H2(g)/H2O(l) -1.0 + -add_logk Log_alpha_D_H2(g)/H2O(l) -1 HT(g) HT(g) + H2O(l) = H2(g) + HTO(aq) - -add_logk Log_alpha_T_H2(g)/H2O(l) -1.0 + -add_logk Log_alpha_T_H2(g)/H2O(l) -1 D2(g) - D2(g) + H2(g) = 2HD(g) - log_k 0.602059991327962396 # log10(4) - + D2(g) + H2(g) = 2 HD(g) + log_k 0.602059991327962396 # log10(4) + T2(g) - T2(g) + H2(g) = 2HT(g) - log_k 0.602059991327962396 # log10(4) + T2(g) + H2(g) = 2 HT(g) + log_k 0.602059991327962396 # log10(4) DT(g) DT(g) + H2(g) = HD(g) + HT(g) - log_k 0.301029995663 # log10(2) + log_k 0.301029995663 # log10(2) # # CO2 gas - CO2 aqueous # last update March 20, 2006 @@ -6877,36 +6881,36 @@ DT(g) # CO[18O](g) CO[18O](g) + H2O(l) = H2[18O](aq) + CO2(g) - log_k -0.301029995663 # -log10(2) - -add_logk Log_alpha_18O_CO2(g)/H2O(l) -1.0 + log_k -0.301029995663 # -log10(2) + -add_logk Log_alpha_18O_CO2(g)/H2O(l) -1 C[18O]2(g) - C[18O]2(g) + CO2(g) = 2CO[18O](g) - log_k 0.602059991327962396 # log10(4) + C[18O]2(g) + CO2(g) = 2 CO[18O](g) + log_k 0.602059991327962396 # log10(4) [13C]O2(g) [13C]O2(g) + CO2(aq) = [13C]O2(aq) + CO2(g) - -add_logk Log_alpha_13C_CO2(g)/CO2(aq) -1.0 + -add_logk Log_alpha_13C_CO2(g)/CO2(aq) -1 [13C]O[18O](g) [13C]O[18O](g) + CO2(g) = [13C]O2(g) + CO[18O](g) - log_k 0 + log_k 0 [13C][18O]2(g) [13C][18O]2(g) + CO2(g) = C[18O]2(g) + [13C]O2(g) - log_k 0 + log_k 0 [14C]O2(g) [14C]O2(g) + CO2(aq) = [14C]O2(aq) + CO2(g) - -add_logk Log_alpha_14C_CO2(g)/CO2(aq) -1.0 + -add_logk Log_alpha_14C_CO2(g)/CO2(aq) -1 [14C]O[18O](g) [14C]O[18O](g) + CO2(g) = [14C]O2(g) + CO[18O](g) - log_k 0 + log_k 0 [14C][18O]2(g) - [14C][18O]2(g) + CO2(g) = [14C]O2(g) + C[18O]2(g) - log_k 0 + [14C][18O]2(g) + CO2(g) = [14C]O2(g) + C[18O]2(g) + log_k 0 # # Calcite # last update Feb 13, 2006 @@ -6914,63 +6918,63 @@ C[18O]2(g) # Checked September 19, 2006 # CaCO2[18O](s) - CaCO2[18O](s) + H2O(l) = H2[18O](aq) + Calcite(s) - log_k -0.477121254719 # -log10(3) ??? - -add_logk Log_alpha_18O_Calcite/H2O(l) -1.0 + CaCO2[18O](s) + H2O(l) = H2[18O](aq) + Calcite(s) + log_k -0.477121254719 # -log10(3) ??? + -add_logk Log_alpha_18O_Calcite/H2O(l) -1 CaCO[18O]2(s) - CaCO[18O]2(s) + Calcite(s) = 2CaCO2[18O](s) - log_k 0.477121254719 # log10(3) + CaCO[18O]2(s) + Calcite(s) = 2 CaCO2[18O](s) + log_k 0.477121254719 # log10(3) CaC[18O]3(s) - CaC[18O]3(s) + 2Calcite(s) = 3CaCO2[18O](s) - log_k 1.431363764158 # log10(27) + CaC[18O]3(s) + 2 Calcite(s) = 3 CaCO2[18O](s) + log_k 1.431363764158 # log10(27) Ca[13C]O3(s) Ca[13C]O3(s) + CO2 = [13C]O2 + Calcite(s) - -add_logk Log_alpha_13C_Calcite/CO2(aq) -1.0 + -add_logk Log_alpha_13C_Calcite/CO2(aq) -1 Ca[13C]O2[18O](s) Ca[13C]O2[18O](s) + Calcite(s) = Ca[13C]O3(s) + CaCO2[18O](s) - log_k 0 + log_k 0 Ca[13C]O[18O]2(s) Ca[13C]O[18O]2(s) + Calcite(s) = Ca[13C]O3(s) + CaCO[18O]2(s) - log_k 0 + log_k 0 Ca[13C][18O]3(s) Ca[13C][18O]3(s) + Calcite(s) = Ca[13C]O3(s) + CaC[18O]3(s) - log_k 0 + log_k 0 Ca[14C]O3(s) Ca[14C]O3(s) + CO2 = Calcite(s) + [14C]O2 - -add_logk Log_alpha_14C_Calcite/CO2(aq) -1.0 + -add_logk Log_alpha_14C_Calcite/CO2(aq) -1 Ca[14C]O2[18O](s) Ca[14C]O2[18O](s) + Calcite(s) = Ca[14C]O3(s) + CaCO2[18O](s) - log_k 0 + log_k 0 Ca[14C]O[18O]2(s) Ca[14C]O[18O]2(s) + Calcite(s) = Ca[14C]O3(s) + CaCO[18O]2(s) - log_k 0 + log_k 0 Ca[14C][18O]3(s) Ca[14C][18O]3(s) + Calcite(s) = Ca[14C]O3(s) + CaC[18O]3(s) - log_k 0 + log_k 0 # # Pyrite, March 20, 2006 # Update September 28, 2006 # Checked September 28, 2006 -# +# Pyrite_FeS[34S] FeS[34S](s) + HS- = Pyrite(s) + H[34S]- - -add_logk Log_alpha_34S_Pyrite/HS- -1.0 + -add_logk Log_alpha_34S_Pyrite/HS- -1 Pyrite_Fe[34S]S Fe[34S]S(s) = Pyrite_FeS[34S](s) Pyrite_Fe[34S]2 - Fe[34S]2(s) + Pyrite(s) = 2Pyrite_FeS[34S](s) + Fe[34S]2(s) + Pyrite(s) = 2 Pyrite_FeS[34S](s) # # CH4 reactions # last update March 20, 2006 @@ -6979,53 +6983,53 @@ Pyrite_Fe[34S]2 # CH3D(g) CH3D(g) + H2O(l) = CH4(g) + HDO(aq) - log_k -0.301029995663 # -log10(2) ??? - -add_logk Log_alpha_D_CH4(g)/H2O(l) -1.0 + log_k -0.301029995663 # -log10(2) ??? + -add_logk Log_alpha_D_CH4(g)/H2O(l) -1 CH2D2(g) - CH2D2(g) + CH4(g) = 2CH3D(g) - log_k 0.42596873227228 # log10(8/3) + CH2D2(g) + CH4(g) = 2 CH3D(g) + log_k 0.42596873227228 # log10(8/3) CHD3(g) - CHD3(g) + 2CH4(g) = 3CH3D(g) - log_k 1.20411998265 # log10(16) + CHD3(g) + 2 CH4(g) = 3 CH3D(g) + log_k 1.20411998265 # log10(16) CD4(g) - CD4(g) + 3CH4(g) = 4CH3D(g) - log_k 2.408239965311 # log10(256) + CD4(g) + 3 CH4(g) = 4 CH3D(g) + log_k 2.408239965311 # log10(256) CH3T(g) CH3T(g) + H2O(l) = CH4(g) + HTO(aq) - log_k -0.301029995663 # -log10(2) ??? - -add_logk Log_alpha_T_CH4(g)/H2O(l) -1.0 + log_k -0.301029995663 # -log10(2) ??? + -add_logk Log_alpha_T_CH4(g)/H2O(l) -1 CH2T2(g) - CH2T2(g) + CH4(g) = 2CH3T(g) - log_k 0.42596873227228 # log10(8/3) + CH2T2(g) + CH4(g) = 2 CH3T(g) + log_k 0.42596873227228 # log10(8/3) CHT3(g) - CHT3(g) + 2CH4(g) = 3CH3T(g) - log_k 1.20411998265 # log10(16) + CHT3(g) + 2 CH4(g) = 3 CH3T(g) + log_k 1.20411998265 # log10(16) CT4(g) - CT4(g) + 3CH4(g) = 4CH3T(g) - log_k 2.408239965311 # log10(256) + CT4(g) + 3 CH4(g) = 4 CH3T(g) + log_k 2.408239965311 # log10(256) CD3T(g) CD3T(g) + CH4(g) = CHD3(g) + CH3T(g) - log_k 0.602059991327962396 # log10(4) + log_k 0.602059991327962396 # log10(4) CD2T2(g) CD2T2(g) + CH4(g) = CH2D2(g) + CH2T2(g) - log_k 0.7781512503836 # log10(6) + log_k 0.7781512503836 # log10(6) CDT3(g) CDT3(g) + CH4(g) = CHT3(g) + CH3D(g) - log_k 0.602059991327962396 # log10(4) + log_k 0.602059991327962396 # log10(4) [13C]H4(g) [13C]H4(g) + CO2(aq) = [13C]O2(aq) + CH4(g) - -add_logk Log_alpha_13C_CH4(g)/CO2(aq) -1.0 + -add_logk Log_alpha_13C_CH4(g)/CO2(aq) -1 [13C]H3D(g) [13C]H3D(g) + CH4(g) = CH3D(g) + [13C]H4(g) @@ -7056,50 +7060,50 @@ CDT3(g) [13C]D2T2(g) [13C]D2T2(g) + CH4(g) = CD2T2(g) + [13C]H4(g) - + [13C]DT3(g) [13C]DT3(g) + CH4(g) = CDT3(g) + [13C]H4(g) - + [13C]T4(g) [13C]T4(g) + CH4(g) = CT4(g) + [13C]H4(g) - + [14C]H4(g) [14C]H4(g) + CO2(aq) = [14C]O2(aq) + CH4(g) - -add_logk Log_alpha_14C_CH4(g)/CO2(aq) -1.0 - + -add_logk Log_alpha_14C_CH4(g)/CO2(aq) -1 + [14C]H3D(g) [14C]H3D(g) + CH4(g) = CH3D(g) + [14C]H4(g) - + [14C]H2D2(g) [14C]H2D2(g) + CH4(g) = CH2D2(g) + [14C]H4(g) - + [14C]HD3(g) [14C]HD3(g) + CH4(g) = CHD3(g) + [14C]H4(g) [14C]D4(g) [14C]D4(g) + CH4(g) = CD4(g) + [14C]H4(g) - + [14C]H3T(g) [14C]H3T(g) + CH4(g) = CH3T(g) + [14C]H4(g) - + [14C]H2T2(g) [14C]H2T2(g) + CH4(g) = CH2T2(g) + [14C]H4(g) - + [14C]HT3(g) [14C]HT3(g) + CH4(g) = CHT3(g) + [14C]H4(g) - + [14C]T4(g) [14C]T4(g) + CH4(g) = CT4(g) + [14C]H4(g) - + [14C]D3T(g) [14C]D3T(g) + CH4(g) = CD3T(g) + [14C]H4(g) - + [14C]D2T2(g) [14C]D2T2(g) + CH4(g) = CD2T2(g) + [14C]H4(g) - + [14C]DT3(g) [14C]DT3(g) + CH4(g) = CDT3(g) + [14C]H4(g) - + [14C]T4(g) [14C]T4(g) + CH4(g) = CT4(g) + [14C]H4(g) # @@ -7109,27 +7113,27 @@ CDT3(g) # HDS(g) HDS(g) + H2S(aq) = HDS(aq) + H2S(g) - -add_logk Log_alpha_D_H2S(g)/H2S(aq) -1.0 + -add_logk Log_alpha_D_H2S(g)/H2S(aq) -1 D2S(g) - D2S(g) + H2S(g) = 2HDS(g) - log_k 0.602059991327962396 # log10(4) + D2S(g) + H2S(g) = 2 HDS(g) + log_k 0.602059991327962396 # log10(4) HTS(g) HTS(g) + H2S(aq) = HTS(aq) + H2S(g) - -add_logk Log_alpha_T_H2S(g)/H2S(aq) -1.0 + -add_logk Log_alpha_T_H2S(g)/H2S(aq) -1 T2S(g) - T2S(g) + H2S(g) = 2HTS(g) - log_k 0.602059991327962396 # log10(4) + T2S(g) + H2S(g) = 2 HTS(g) + log_k 0.602059991327962396 # log10(4) DTS(g) DTS(g) + H2S(g) = HDS(g) + HTS(g) - log_k 0.301029995663 # log10(2) + log_k 0.301029995663 # log10(2) H2[34S](g) H2[34S](g) + H2S(aq) = H2[34S](aq) + H2S(g) - -add_logk Log_alpha_34S_H2S(g)/H2S(aq) -1.0 + -add_logk Log_alpha_34S_H2S(g)/H2S(aq) -1 HD[34S](g) HD[34S](g) + H2S(g) = HDS(g) + H2[34S](g) @@ -7151,60 +7155,60 @@ DT[34S](g) # Ca[34S]O4:2H2O Ca[34S]O4:2H2O + SO4-2 = [34S]O4-2 + Gypsum(s) - -add_logk Log_alpha_34S_Gypsum/SO4-2 -1.0 + -add_logk Log_alpha_34S_Gypsum/SO4-2 -1 Ca[34S]O4 Ca[34S]O4 + SO4-2 = [34S]O4-2 + Anhydrite(s) - -add_logk Log_alpha_34S_Anhydrite/SO4-2 -1.0 + -add_logk Log_alpha_34S_Anhydrite/SO4-2 -1 # # Nitrogen phases # Checked September 19, 2006 # N[15N](g) N[15N](g) + N2(aq) = N[15N](aq) + N2(g) - -add_logk Log_alpha_15N_N2(g)/N2(aq) -1.0 + -add_logk Log_alpha_15N_N2(g)/N2(aq) -1 [15N]2(g) - [15N]2(g) + N2(g) = 2N[15N](g) - log_k 0.602059991327962396 # log10(4) + [15N]2(g) + N2(g) = 2 N[15N](g) + log_k 0.602059991327962396 # log10(4) NH2D(g) NH2D(g) + H2O(l) = NH3(g) + HDO(aq) ## symmetry K?? - -add_logk Log_alpha_D_NH3(g)/H2O(l) -1.0 + -add_logk Log_alpha_D_NH3(g)/H2O(l) -1 NHD2(g) - NHD2(g) + NH3(g) = 2NH2D(g) - log_k 0.477121254719 # log10(3) + NHD2(g) + NH3(g) = 2 NH2D(g) + log_k 0.477121254719 # log10(3) ND3(g) - ND3(g) + 2NH3(g) = 3NH2D(g) - -logk 1.431363764158 # log10(27) + ND3(g) + 2 NH3(g) = 3 NH2D(g) + -logk 1.431363764158 # log10(27) NH2T(g) NH2T(g) + H2O(l) = NH3(g) + HTO(aq) ## symmetry K?? - -add_logk Log_alpha_T_NH3(g)/H2O(l) -1.0 + -add_logk Log_alpha_T_NH3(g)/H2O(l) -1 NHT2(g) - NHT2(g) + NH3(g) = 2NH2T(g) - log_k 0.477121254719 # log10(3) + NHT2(g) + NH3(g) = 2 NH2T(g) + log_k 0.477121254719 # log10(3) NT3(g) - NT3(g) + 2NH3(g) = 3NH2T(g) - -logk 1.431363764158 # log10(27) + NT3(g) + 2 NH3(g) = 3 NH2T(g) + -logk 1.431363764158 # log10(27) ND2T(g) ND2T(g) + NH3(g) = NHD2(g) + NH2T(g) - log_k 0.477121254719 # log10(3) + log_k 0.477121254719 # log10(3) NDT2(g) NDT2(g) + NH3(g) = NH2D(g) + NHT2(g) - log_k 0.477121254719 # log10(3) + log_k 0.477121254719 # log10(3) [15N]H3(g) [15N]H3(g) + NH3(aq) = [15N]H3(aq) + NH3(g) - -add_logk Log_alpha_15N_NH3(g)/NH3(aq) -1.0 + -add_logk Log_alpha_15N_NH3(g)/NH3(aq) -1 [15N]H2D(g) [15N]H2D(g) + NH3(g) = NH2D(g) + [15N]H3(g) diff --git a/database/llnl.dat b/database/llnl.dat index 0c1904c4f..64b2c231c 100644 --- a/database/llnl.dat +++ b/database/llnl.dat @@ -1,8 +1,12 @@ +# File 1 = C:\GitPrograms\phreeqc3-1\database\llnl.dat, 17/05/2024 14:23, 19306 lines, 776949 bytes, md5=efbcb7244fbe9063e0020cf5d1e00458 +# Created 17 May 2024 14:30:38 +# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "llnl.dat" + # $Id: llnl.dat 12758 2017-08-01 22:09:36Z dlpark $ #Data are from 'thermo.com.V8.R6.230' prepared by Jim Johnson at #Lawrence Livermore National Laboratory, in Geochemist's Workbench #format. Converted to Phreeqc format by Greg Anderson with help from -#David Parkhurst. A few organic species have been omitted. +#David Parkhurst. A few organic species have been omitted. #Delta H of reaction calculated from Delta H of formations given in #thermo.com.V8.R6.230 (8 Mar 2000). @@ -17,34 +21,34 @@ LLNL_AQUEOUS_MODEL_PARAMETERS -temperatures - 0.0100 25.0000 60.0000 100.0000 - 150.0000 200.0000 250.0000 300.0000 + 0.01 25 60 100 + 150 200 250 300 #debye huckel a (adh) -dh_a - 0.4939 0.5114 0.5465 0.5995 - 0.6855 0.7994 0.9593 1.2180 + 0.4939 0.5114 0.5465 0.5995 + 0.6855 0.7994 0.9593 1.218 #debye huckel b (bdh) -dh_b - 0.3253 0.3288 0.3346 0.3421 - 0.3525 0.3639 0.3766 0.3925 + 0.3253 0.3288 0.3346 0.3421 + 0.3525 0.3639 0.3766 0.3925 -bdot - 0.0374 0.0410 0.0438 0.0460 - 0.0470 0.0470 0.0340 0.0000 + 0.0374 0.041 0.0438 0.046 + 0.047 0.047 0.034 0 #cco2 (coefficients for the Drummond (1981) polynomial) -co2_coefs - -1.0312 0.0012806 - 255.9 0.4445 + -1.0312 0.0012806 + 255.9 0.4445 -0.001606 NAMED_EXPRESSIONS # -# formation of O2 from H2O -# 2H2O = O2 + 4H+ + 4e- +# formation of O2 from H2O +# 2H2O = O2 + 4H+ + 4e- # Log_K_O2 - log_k -85.9951 - -delta_H 559.543 kJ/mol # Calculated enthalpy of reaction O2 + log_k -85.9951 + -delta_H 559.543 kJ/mol # Calculated enthalpy of reaction O2 # Enthalpy of formation: -2.9 kcal/mol - -analytic 38.0229 7.99407E-03 -2.7655e+004 -1.4506e+001 199838.45 + -analytic 38.0229 7.99407E-3 -2.7655e+4 -1.4506e+1 199838.45 # Range: 0-300 @@ -52,792 +56,792 @@ SOLUTION_MASTER_SPECIES #element species alk gfw_formula element_gfw -Acetate HAcetate 0.0 Acetate 59. -Ag Ag+ 0.0 Ag 107.8682 -Ag(1) Ag+ 0 Ag -Ag(2) Ag+2 0 Ag -Al Al+3 0.0 Al 26.9815 -Alkalinity HCO3- 1.0 Ca0.5(CO3)0.5 50.05 -Am Am+3 0.0 Am 243.0000 -Am(+2) Am+2 0.0 Am -Am(+3) Am+3 0.0 Am -Am(+4) Am+4 0.0 Am -Am(+5) AmO2+ 0.0 Am -Am(+6) AmO2+2 0.0 Am -Ar Ar 0.0 Ar 39.948 -As H2AsO4- 0.0 As 74.9216 -As(-3) AsH3 0.0 As -As(+3) H2AsO3- 0.0 As -As(+5) H2AsO4- 0.0 As -Au Au+ 0.0 Au 196.9665 -Au(+1) Au+ 0.0 Au -Au(+3) Au+3 0.0 Au +Acetate HAcetate 0 Acetate 59 +Ag Ag+ 0 Ag 107.8682 +Ag(1) Ag+ 0 Ag +Ag(2) Ag+2 0 Ag +Al Al+3 0 Al 26.9815 +Alkalinity HCO3- 1 Ca0.5(CO3)0.5 50.05 +Am Am+3 0 Am 243 +Am(+2) Am+2 0 Am +Am(+3) Am+3 0 Am +Am(+4) Am+4 0 Am +Am(+5) AmO2+ 0 Am +Am(+6) AmO2+2 0 Am +Ar Ar 0 Ar 39.948 +As H2AsO4- 0 As 74.9216 +As(-3) AsH3 0 As +As(+3) H2AsO3- 0 As +As(+5) H2AsO4- 0 As +Au Au+ 0 Au 196.9665 +Au(+1) Au+ 0 Au +Au(+3) Au+3 0 Au #B H3BO3 0.0 B 10.811 -B B(OH)3 0.0 B 10.811 -B(3) B(OH)3 0 B -B(-5) BH4- 0 B -Ba Ba+2 0.0 Ba 137.3270 -Be Be+2 0.0 Be 9.0122 -Br Br- 0.0 Br 79.904 -Br(-03) Br3- 0 Br -Br(-1) Br- 0 Br -Br(0) Br2 0 Br -Br(1) BrO- 0 Br -Br(5) BrO3- 0 Br -Br(7) BrO4- 0 Br -C(-4) CH4 0.0 CH4 -C(-3) C2H6 0.0 C2H6 -C(-2) C2H4 0.0 C2H4 -C HCO3- 1.0 HCO3 12.0110 -C(+2) CO 0 C -C(+4) HCO3- 1.0 HCO3 -Ca Ca+2 0.0 Ca 40.078 -Cyanide Cyanide- 1.0 CN 26. -Cd Cd+2 0.0 Cd 112.411 -Ce Ce+3 0.0 Ce 140.115 -Ce(+2) Ce+2 0.0 Ce -Ce(+3) Ce+3 0.0 Ce -Ce(+4) Ce+4 0.0 Ce -Cl Cl- 0.0 Cl 35.4527 -Cl(-1) Cl- 0 Cl -Cl(1) ClO- 0 Cl -Cl(3) ClO2- 0 Cl -Cl(5) ClO3- 0 Cl -Cl(7) ClO4- 0 Cl -Co Co+2 0.0 Co 58.9332 -Co(+2) Co+2 0.0 Co -Co(+3) Co+3 0.0 Co -Cr CrO4-2 0.0 CrO4-2 51.9961 -Cr(+2) Cr+2 0.0 Cr -Cr(+3) Cr+3 0.0 Cr -Cr(+5) CrO4-3 0.0 Cr -Cr(+6) CrO4-2 0.0 Cr -Cs Cs+ 0.0 Cs 132.9054 -Cu Cu+2 0.0 Cu 63.546 -Cu(+1) Cu+1 0.0 Cu -Cu(+2) Cu+2 0.0 Cu -Dy Dy+3 0.0 Dy 162.50 -Dy(+2) Dy+2 0.0 Dy -Dy(+3) Dy+3 0.0 Dy -E e- 0.0 0.0 0.0 -Er Er+3 0.0 Er 167.26 -Er(+2) Er+2 0.0 Er -Er(+3) Er+3 0.0 Er -Ethylene Ethylene 0.0 Ethylene 28.0536 -Eu Eu+3 0.0 Eu 151.965 -Eu(+2) Eu+2 0.0 Eu -Eu(+3) Eu+3 0.0 Eu -F F- 0.0 F 18.9984 -Fe Fe+2 0.0 Fe 55.847 -Fe(+2) Fe+2 0.0 Fe -Fe(+3) Fe+3 -2.0 Fe -Ga Ga+3 0.0 Ga 69.723 -Gd Gd+3 0.0 Gd 157.25 -Gd(+2) Gd+2 0.0 Gd -Gd(+3) Gd+3 0.0 Gd -H H+ -1. H 1.0079 -H(0) H2 0.0 H -H(+1) H+ -1. 0.0 -He He 0.0 He 4.0026 -He(0) He 0.0 He -Hf Hf+4 0.0 Hf 178.49 -Hg Hg+2 0.0 Hg 200.59 -Hg(+1) Hg2+2 0.0 Hg -Hg(+2) Hg+2 0.0 Hg -Ho Ho+3 0.0 Ho 164.9303 -Ho(+2) Ho+2 0.0 Ho -Ho(+3) Ho+3 0.0 Ho -I I- 0.0 I 126.9045 -I(-03) I3- 0 I -I(-1) I- 0.0 I -I(+1) IO- 0.0 I -I(+5) IO3- 0.0 I -I(+7) IO4- 0.0 I -In In+3 0.0 In 114.82 -K K+ 0.0 K 39.0983 -Kr Kr 0.0 Kr 83.80 -Kr(0) Kr 0.0 Kr -La La+3 0.0 La 138.9055 -La(2) La+2 0 La -La(3) La+3 0 La -Li Li+ 0.0 Li 6.9410 -Lu Lu+3 0.0 Lu 174.967 -Mg Mg+2 0.0 Mg 24.305 -Mn Mn+2 0.0 Mn 54.938 -Mn(+2) Mn+2 0.0 Mn -Mn(+3) Mn+3 0.0 Mn -Mn(+6) MnO4-2 0 Mn -Mn(+7) MnO4- 0 Mn -Mo MoO4-2 0.0 Mo 95.94 -N NH3 1.0 N 14.0067 -N(-3) NH3 1.0 N -N(-03) N3- 0.0 N -N(0) N2 0.0 N -N(+3) NO2- 0.0 N -N(+5) NO3- 0.0 N -Na Na+ 0.0 Na 22.9898 -Nd Nd+3 0.0 Nd 144.24 -Nd(+2) Nd+2 0.0 Nd -Nd(+3) Nd+3 0.0 Nd -Ne Ne 0.0 Ne 20.1797 +B B(OH)3 0 B 10.811 +B(3) B(OH)3 0 B +B(-5) BH4- 0 B +Ba Ba+2 0 Ba 137.327 +Be Be+2 0 Be 9.0122 +Br Br- 0 Br 79.904 +Br(-03) Br3- 0 Br +Br(-1) Br- 0 Br +Br(0) Br2 0 Br +Br(1) BrO- 0 Br +Br(5) BrO3- 0 Br +Br(7) BrO4- 0 Br +C(-4) CH4 0 CH4 +C(-3) C2H6 0 C2H6 +C(-2) C2H4 0 C2H4 +C HCO3- 1 HCO3 12.011 +C(+2) CO 0 C +C(+4) HCO3- 1 HCO3 +Ca Ca+2 0 Ca 40.078 +Cyanide Cyanide- 1 CN 26 +Cd Cd+2 0 Cd 112.411 +Ce Ce+3 0 Ce 140.115 +Ce(+2) Ce+2 0 Ce +Ce(+3) Ce+3 0 Ce +Ce(+4) Ce+4 0 Ce +Cl Cl- 0 Cl 35.4527 +Cl(-1) Cl- 0 Cl +Cl(1) ClO- 0 Cl +Cl(3) ClO2- 0 Cl +Cl(5) ClO3- 0 Cl +Cl(7) ClO4- 0 Cl +Co Co+2 0 Co 58.9332 +Co(+2) Co+2 0 Co +Co(+3) Co+3 0 Co +Cr CrO4-2 0 CrO4-2 51.9961 +Cr(+2) Cr+2 0 Cr +Cr(+3) Cr+3 0 Cr +Cr(+5) CrO4-3 0 Cr +Cr(+6) CrO4-2 0 Cr +Cs Cs+ 0 Cs 132.9054 +Cu Cu+2 0 Cu 63.546 +Cu(+1) Cu+1 0 Cu +Cu(+2) Cu+2 0 Cu +Dy Dy+3 0 Dy 162.5 +Dy(+2) Dy+2 0 Dy +Dy(+3) Dy+3 0 Dy +E e- 1 0 0 +Er Er+3 0 Er 167.26 +Er(+2) Er+2 0 Er +Er(+3) Er+3 0 Er +Ethylene Ethylene 0 Ethylene 28.0536 +Eu Eu+3 0 Eu 151.965 +Eu(+2) Eu+2 0 Eu +Eu(+3) Eu+3 0 Eu +F F- 0 F 18.9984 +Fe Fe+2 0 Fe 55.847 +Fe(+2) Fe+2 0 Fe +Fe(+3) Fe+3 -2 Fe +Ga Ga+3 0 Ga 69.723 +Gd Gd+3 0 Gd 157.25 +Gd(+2) Gd+2 0 Gd +Gd(+3) Gd+3 0 Gd +H H+ -1 H 1.0079 +H(0) H2 0 H +H(+1) H+ -1 0 +He He 0 He 4.0026 +He(0) He 0 He +Hf Hf+4 0 Hf 178.49 +Hg Hg+2 0 Hg 200.59 +Hg(+1) Hg2+2 0 Hg +Hg(+2) Hg+2 0 Hg +Ho Ho+3 0 Ho 164.9303 +Ho(+2) Ho+2 0 Ho +Ho(+3) Ho+3 0 Ho +I I- 0 I 126.9045 +I(-03) I3- 0 I +I(-1) I- 0 I +I(+1) IO- 0 I +I(+5) IO3- 0 I +I(+7) IO4- 0 I +In In+3 0 In 114.82 +K K+ 0 K 39.0983 +Kr Kr 0 Kr 83.8 +Kr(0) Kr 0 Kr +La La+3 0 La 138.9055 +La(2) La+2 0 La +La(3) La+3 0 La +Li Li+ 0 Li 6.941 +Lu Lu+3 0 Lu 174.967 +Mg Mg+2 0 Mg 24.305 +Mn Mn+2 0 Mn 54.938 +Mn(+2) Mn+2 0 Mn +Mn(+3) Mn+3 0 Mn +Mn(+6) MnO4-2 0 Mn +Mn(+7) MnO4- 0 Mn +Mo MoO4-2 0 Mo 95.94 +N NH3 1 N 14.0067 +N(-3) NH3 1 N +N(-03) N3- 0 N +N(0) N2 0 N +N(+3) NO2- 0 N +N(+5) NO3- 0 N +Na Na+ 0 Na 22.9898 +Nd Nd+3 0 Nd 144.24 +Nd(+2) Nd+2 0 Nd +Nd(+3) Nd+3 0 Nd +Ne Ne 0 Ne 20.1797 #Ne(0) Ne 0.0 Ne -Ni Ni+2 0.0 Ni 58.69 -Np Np+4 0.0 Np 237.048 -Np(+3) Np+3 0.0 Np -Np(+4) Np+4 0.0 Np -Np(+5) NpO2+ 0.0 Np -Np(+6) NpO2+2 0.0 Np -O H2O 0.0 O 15.994 -O(-2) H2O 0.0 0.0 -O(0) O2 0.0 O +Ni Ni+2 0 Ni 58.69 +Np Np+4 0 Np 237.048 +Np(+3) Np+3 0 Np +Np(+4) Np+4 0 Np +Np(+5) NpO2+ 0 Np +Np(+6) NpO2+2 0 Np +O H2O 0 O 15.994 +O(-2) H2O 0 0 +O(0) O2 0 O O_phthalate O_phthalate-2 0 1 1 -P HPO4-2 2.0 P 30.9738 -P(-3) PH4+ 0 P -P(5) HPO4-2 2.0 P -Pb Pb+2 0.0 Pb 207.20 -Pb(+2) Pb+2 0.0 Pb -Pb(+4) Pb+4 0.0 Pb -Pd Pd+2 0.0 Pd 106.42 -Pm Pm+3 0.0 Pm 147.00 -Pm(+2) Pm+2 0.0 Pm -Pm(+3) Pm+3 0.0 Pm -Pr Pr+3 0.0 Pr 140.9076 -Pr(+2) Pr+2 0.0 Pr -Pr(+3) Pr+3 0.0 Pr -Pu Pu+4 0.0 Pu 244.00 -Pu(+3) Pu+3 0.0 Pu -Pu(+4) Pu+4 0.0 Pu -Pu(+5) PuO2+ 0.0 Pu -Pu(+6) PuO2+2 0.0 Pu -Ra Ra+2 0.0 Ra 226.025 -Rb Rb+ 0.0 Rb 85.4678 -Re ReO4- 0.0 Re 186.207 -Rn Rn 0.0 Rn 222.00 -Ru RuO4-2 0.0 Ru 101.07 -Ru(+2) Ru+2 0.0 Ru -Ru(+3) Ru+3 0.0 Ru -Ru(+4) Ru(OH)2+2 0.0 Ru -Ru(+6) RuO4-2 0.0 Ru -Ru(+7) RuO4- 0.0 Ru -Ru(+8) RuO4 0.0 Ru -S SO4-2 0.0 SO4 32.066 -S(-2) HS- 1.0 S -S(+2) S2O3-2 0.0 S -S(+3) S2O4-2 0.0 S -S(+4) SO3-2 0.0 S -S(+5) S2O5-2 0.0 S -S(+6) SO4-2 0.0 SO4 -S(+7) S2O8-2 0.0 S -S(+8) HSO5- 0.0 S -Sb Sb(OH)3 0.0 Sb 121.75 -Sc Sc+3 0.0 Sc 44.9559 -Se SeO3-2 0.0 Se 78.96 -Se(-2) HSe- 0.0 Se -Se(+4) SeO3-2 0.0 Se -Se(+6) SeO4-2 0.0 Se -Si SiO2 0.0 SiO2 28.0855 -Sm Sm+3 0.0 Sm 150.36 -Sm(+2) Sm+2 0.0 Sm -Sm(+3) Sm+3 0.0 Sm -Sn Sn+2 0.0 Sn 118.71 -Sn(+2) Sn+2 0.0 Sn -Sn(+4) Sn+4 0.0 Sn -Sr Sr+2 0.0 Sr 87.62 -Tb Tb+3 0.0 Tb 158.9253 -Tb(+2) Tb+2 0.0 Tb -Tb(+3) Tb+3 0.0 Tb -Tc TcO4- 0.0 Tc 98.00 -Tc(+3) Tc+3 0.0 Tc -Tc(+4) TcO+2 0.0 Tc -Tc(+5) TcO4-3 0.0 Tc -Tc(+6) TcO4-2 0.0 Tc -Tc(+7) TcO4- 0.0 Tc -Thiocyanate Thiocyanate- 0.0 SCN 58. -Th Th+4 0.0 Th 232.0381 -Ti Ti(OH)4 0.0 Ti 47.88 -Tl Tl+ 0.0 Tl 204.3833 -Tl(+1) Tl+ 0.0 Tl -Tl(+3) Tl+3 0.0 Tl -Tm Tm+3 0.0 Tm 168.9342 -Tm(+2) Tm+2 0.0 Tm -Tm(+3) Tm+3 0.0 Tm -U UO2+2 0.0 U 238.0289 -U(+3) U+3 0.0 U -U(+4) U+4 0.0 U -U(+5) UO2+ 0.0 U -U(+6) UO2+2 0.0 U -V VO+2 0.0 V 50.9415 -V(+3) V+3 0.0 V -V(+4) VO+2 0.0 V -V(+5) VO2+ 0.0 V -W WO4-2 0.0 W 183.85 -Xe Xe 0.0 Xe 131.29 -Xe(0) Xe 0.0 Xe -Y Y+3 0.0 Y 88.9059 -Yb Yb+3 0.0 Yb 173.04 -Yb(+2) Yb+2 0.0 Yb -Yb(+3) Yb+3 0.0 Yb -Zn Zn+2 0.0 Zn 65.39 -Zr Zr(OH)2+2 0.0 Zr 91.224 +P HPO4-2 2 P 30.9738 +P(-3) PH4+ 0 P +P(5) HPO4-2 2 P +Pb Pb+2 0 Pb 207.2 +Pb(+2) Pb+2 0 Pb +Pb(+4) Pb+4 0 Pb +Pd Pd+2 0 Pd 106.42 +Pm Pm+3 0 Pm 147 +Pm(+2) Pm+2 0 Pm +Pm(+3) Pm+3 0 Pm +Pr Pr+3 0 Pr 140.9076 +Pr(+2) Pr+2 0 Pr +Pr(+3) Pr+3 0 Pr +Pu Pu+4 0 Pu 244 +Pu(+3) Pu+3 0 Pu +Pu(+4) Pu+4 0 Pu +Pu(+5) PuO2+ 0 Pu +Pu(+6) PuO2+2 0 Pu +Ra Ra+2 0 Ra 226.025 +Rb Rb+ 0 Rb 85.4678 +Re ReO4- 0 Re 186.207 +Rn Rn 0 Rn 222 +Ru RuO4-2 0 Ru 101.07 +Ru(+2) Ru+2 0 Ru +Ru(+3) Ru+3 0 Ru +Ru(+4) Ru(OH)2+2 0 Ru +Ru(+6) RuO4-2 0 Ru +Ru(+7) RuO4- 0 Ru +Ru(+8) RuO4 0 Ru +S SO4-2 0 SO4 32.066 +S(-2) HS- 1 S +S(+2) S2O3-2 0 S +S(+3) S2O4-2 0 S +S(+4) SO3-2 0 S +S(+5) S2O5-2 0 S +S(+6) SO4-2 0 SO4 +S(+7) S2O8-2 0 S +S(+8) HSO5- 0 S +Sb Sb(OH)3 0 Sb 121.75 +Sc Sc+3 0 Sc 44.9559 +Se SeO3-2 0 Se 78.96 +Se(-2) HSe- 0 Se +Se(+4) SeO3-2 0 Se +Se(+6) SeO4-2 0 Se +Si SiO2 0 SiO2 28.0855 +Sm Sm+3 0 Sm 150.36 +Sm(+2) Sm+2 0 Sm +Sm(+3) Sm+3 0 Sm +Sn Sn+2 0 Sn 118.71 +Sn(+2) Sn+2 0 Sn +Sn(+4) Sn+4 0 Sn +Sr Sr+2 0 Sr 87.62 +Tb Tb+3 0 Tb 158.9253 +Tb(+2) Tb+2 0 Tb +Tb(+3) Tb+3 0 Tb +Tc TcO4- 0 Tc 98 +Tc(+3) Tc+3 0 Tc +Tc(+4) TcO+2 0 Tc +Tc(+5) TcO4-3 0 Tc +Tc(+6) TcO4-2 0 Tc +Tc(+7) TcO4- 0 Tc +Thiocyanate Thiocyanate- 0 SCN 58 +Th Th+4 0 Th 232.0381 +Ti Ti(OH)4 0 Ti 47.88 +Tl Tl+ 0 Tl 204.3833 +Tl(+1) Tl+ 0 Tl +Tl(+3) Tl+3 0 Tl +Tm Tm+3 0 Tm 168.9342 +Tm(+2) Tm+2 0 Tm +Tm(+3) Tm+3 0 Tm +U UO2+2 0 U 238.0289 +U(+3) U+3 0 U +U(+4) U+4 0 U +U(+5) UO2+ 0 U +U(+6) UO2+2 0 U +V VO+2 0 V 50.9415 +V(+3) V+3 0 V +V(+4) VO+2 0 V +V(+5) VO2+ 0 V +W WO4-2 0 W 183.85 +Xe Xe 0 Xe 131.29 +Xe(0) Xe 0 Xe +Y Y+3 0 Y 88.9059 +Yb Yb+3 0 Yb 173.04 +Yb(+2) Yb+2 0 Yb +Yb(+3) Yb+3 0 Yb +Zn Zn+2 0 Zn 65.39 +Zr Zr(OH)2+2 0 Zr 91.224 SOLUTION_SPECIES -HAcetate = HAcetate - -llnl_gamma 3.0000 +HAcetate = HAcetate + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction HAcetate + -delta_H 0 kJ/mol # Calculated enthalpy of reaction HAcetate # Enthalpy of formation: -116.1 kcal/mol -Ag+ = Ag+ - -llnl_gamma 2.5000 +Ag+ = Ag+ + -llnl_gamma 2.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ag+ + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ag+ # Enthalpy of formation: 25.275 kcal/mol -Al+3 = Al+3 - -llnl_gamma 9.0000 +Al+3 = Al+3 + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Al+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Al+3 # Enthalpy of formation: -128.681 kcal/mol -Am+3 = Am+3 - -llnl_gamma 5.0000 +Am+3 = Am+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Am+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Am+3 # Enthalpy of formation: -616.7 kJ/mol -Ar = Ar - -llnl_gamma 3.0000 +Ar = Ar + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ar + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ar # Enthalpy of formation: -2.87 kcal/mol -Au+ = Au+ - -llnl_gamma 4.0000 +Au+ = Au+ + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Au+ + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Au+ # Enthalpy of formation: 47.58 kcal/mol -B(OH)3 = B(OH)3 - -llnl_gamma 3.0000 +B(OH)3 = B(OH)3 + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction B(OH)3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction B(OH)3 # Enthalpy of formation: -256.82 kcal/mol -Ba+2 = Ba+2 - -llnl_gamma 5.0000 +Ba+2 = Ba+2 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ba+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ba+2 # Enthalpy of formation: -128.5 kcal/mol -Be+2 = Be+2 - -llnl_gamma 8.0000 +Be+2 = Be+2 + -llnl_gamma 8 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Be+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Be+2 # Enthalpy of formation: -91.5 kcal/mol -Br- = Br- - -llnl_gamma 3.0000 +Br- = Br- + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Br- + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Br- # Enthalpy of formation: -29.04 kcal/mol -Ca+2 = Ca+2 - -llnl_gamma 6.0000 +Ca+2 = Ca+2 + -llnl_gamma 6 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ca+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ca+2 # Enthalpy of formation: -129.8 kcal/mol -Cd+2 = Cd+2 - -llnl_gamma 5.0000 +Cd+2 = Cd+2 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cd+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cd+2 # Enthalpy of formation: -18.14 kcal/mol -Ce+3 = Ce+3 - -llnl_gamma 9.0000 +Ce+3 = Ce+3 + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ce+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ce+3 # Enthalpy of formation: -167.4 kcal/mol -Cl- = Cl- - -llnl_gamma 3.0000 +Cl- = Cl- + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cl- + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cl- # Enthalpy of formation: -39.933 kcal/mol -Co+2 = Co+2 - -llnl_gamma 6.0000 +Co+2 = Co+2 + -llnl_gamma 6 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Co+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Co+2 # Enthalpy of formation: -13.9 kcal/mol -CrO4-2 = CrO4-2 - -llnl_gamma 4.0000 +CrO4-2 = CrO4-2 + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction CrO4-2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction CrO4-2 # Enthalpy of formation: -210.6 kcal/mol -Cs+ = Cs+ - -llnl_gamma 2.5000 +Cs+ = Cs+ + -llnl_gamma 2.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cs+ + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cs+ # Enthalpy of formation: -61.67 kcal/mol -Cu+2 = Cu+2 - -llnl_gamma 6.0000 +Cu+2 = Cu+2 + -llnl_gamma 6 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cu+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Cu+2 # Enthalpy of formation: 15.7 kcal/mol -Dy+3 = Dy+3 - -llnl_gamma 5.0000 +Dy+3 = Dy+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Dy+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Dy+3 # Enthalpy of formation: -166.5 kcal/mol -e- = e- +e- = e- log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction e- + -delta_H 0 kJ/mol # Calculated enthalpy of reaction e- # Enthalpy of formation: -0 kJ/mol -Er+3 = Er+3 - -llnl_gamma 5.0000 +Er+3 = Er+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Er+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Er+3 # Enthalpy of formation: -168.5 kcal/mol -Ethylene = Ethylene - -llnl_gamma 3.0000 +Ethylene = Ethylene + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ethylene + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ethylene # Enthalpy of formation: 8.57 kcal/mol -Eu+3 = Eu+3 - -llnl_gamma 5.0000 +Eu+3 = Eu+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Eu+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Eu+3 # Enthalpy of formation: -144.7 kcal/mol -F- = F- - -llnl_gamma 3.5000 +F- = F- + -llnl_gamma 3.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction F- + -delta_H 0 kJ/mol # Calculated enthalpy of reaction F- # Enthalpy of formation: -80.15 kcal/mol -Fe+2 = Fe+2 - -llnl_gamma 6.0000 +Fe+2 = Fe+2 + -llnl_gamma 6 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Fe+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Fe+2 # Enthalpy of formation: -22.05 kcal/mol -Ga+3 = Ga+3 - -llnl_gamma 5.0000 +Ga+3 = Ga+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ga+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ga+3 # Enthalpy of formation: -50.6 kcal/mol -Gd+3 = Gd+3 - -llnl_gamma 5.0000 +Gd+3 = Gd+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Gd+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Gd+3 # Enthalpy of formation: -164.2 kcal/mol -H+ = H+ - -llnl_gamma 9.0000 +H+ = H+ + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction H+ + -delta_H 0 kJ/mol # Calculated enthalpy of reaction H+ # Enthalpy of formation: -0 kJ/mol -He = He - -llnl_gamma 3.0000 +He = He + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction He + -delta_H 0 kJ/mol # Calculated enthalpy of reaction He # Enthalpy of formation: -0.15 kcal/mol -H2AsO4- = H2AsO4- - -llnl_gamma 4.0000 +H2AsO4- = H2AsO4- + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction H2AsO4- + -delta_H 0 kJ/mol # Calculated enthalpy of reaction H2AsO4- # Enthalpy of formation: -217.39 kcal/mol -HCO3- = HCO3- - -llnl_gamma 4.0000 +HCO3- = HCO3- + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction HCO3- + -delta_H 0 kJ/mol # Calculated enthalpy of reaction HCO3- # Enthalpy of formation: -164.898 kcal/mol -HPO4-2 = HPO4-2 - -llnl_gamma 4.0000 +HPO4-2 = HPO4-2 + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction HPO4-2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction HPO4-2 # Enthalpy of formation: -308.815 kcal/mol -Hf+4 = Hf+4 +Hf+4 = Hf+4 log_k 0 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hf+4 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hf+4 # Enthalpy of formation: -0 kcal/mol -Hg+2 = Hg+2 - -llnl_gamma 5.0000 +Hg+2 = Hg+2 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Hg+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Hg+2 # Enthalpy of formation: 40.67 kcal/mol -Ho+3 = Ho+3 - -llnl_gamma 5.0000 +Ho+3 = Ho+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ho+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ho+3 # Enthalpy of formation: -169 kcal/mol -I- = I- - -llnl_gamma 3.0000 +I- = I- + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction I- + -delta_H 0 kJ/mol # Calculated enthalpy of reaction I- # Enthalpy of formation: -13.6 kcal/mol -In+3 = In+3 - -llnl_gamma 9.0000 +In+3 = In+3 + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction In+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction In+3 # Enthalpy of formation: -25 kcal/mol -K+ = K+ - -llnl_gamma 3.0000 +K+ = K+ + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction K+ + -delta_H 0 kJ/mol # Calculated enthalpy of reaction K+ # Enthalpy of formation: -60.27 kcal/mol -Kr = Kr - -llnl_gamma 3.0000 +Kr = Kr + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Kr + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Kr # Enthalpy of formation: -3.65 kcal/mol -La+3 = La+3 - -llnl_gamma 9.0000 +La+3 = La+3 + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction La+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction La+3 # Enthalpy of formation: -169.6 kcal/mol -Li+ = Li+ - -llnl_gamma 6.0000 +Li+ = Li+ + -llnl_gamma 6 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Li+ + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Li+ # Enthalpy of formation: -66.552 kcal/mol -Lu+3 = Lu+3 - -llnl_gamma 5.0000 +Lu+3 = Lu+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Lu+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Lu+3 # Enthalpy of formation: -167.9 kcal/mol -Mg+2 = Mg+2 - -llnl_gamma 8.0000 +Mg+2 = Mg+2 + -llnl_gamma 8 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Mg+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Mg+2 # Enthalpy of formation: -111.367 kcal/mol -Mn+2 = Mn+2 - -llnl_gamma 6.0000 +Mn+2 = Mn+2 + -llnl_gamma 6 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Mn+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Mn+2 # Enthalpy of formation: -52.724 kcal/mol -MoO4-2 = MoO4-2 - -llnl_gamma 4.5000 +MoO4-2 = MoO4-2 + -llnl_gamma 4.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction MoO4-2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction MoO4-2 # Enthalpy of formation: -238.5 kcal/mol -NH3 = NH3 - -llnl_gamma 3.0000 +NH3 = NH3 + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction NH3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction NH3 # Enthalpy of formation: -19.44 kcal/mol -Na+ = Na+ - -llnl_gamma 4.0000 +Na+ = Na+ + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Na+ + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Na+ # Enthalpy of formation: -57.433 kcal/mol -Nd+3 = Nd+3 - -llnl_gamma 9.0000 +Nd+3 = Nd+3 + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Nd+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Nd+3 # Enthalpy of formation: -166.5 kcal/mol -Ne = Ne - -llnl_gamma 3.0000 +Ne = Ne + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ne + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ne # Enthalpy of formation: -0.87 kcal/mol -Ni+2 = Ni+2 - -llnl_gamma 6.0000 +Ni+2 = Ni+2 + -llnl_gamma 6 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ni+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ni+2 # Enthalpy of formation: -12.9 kcal/mol -Np+4 = Np+4 - -llnl_gamma 5.5000 +Np+4 = Np+4 + -llnl_gamma 5.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Np+4 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Np+4 # Enthalpy of formation: -556.001 kJ/mol -H2O = H2O - -llnl_gamma 3.0000 - log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction H2O +H2O = H2O + -llnl_gamma 3 + log_k 0 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction H2O # Enthalpy of formation: -68.317 kcal/mol -O_phthalate-2 = O_phthalate-2 - -llnl_gamma 4.0000 +O_phthalate-2 = O_phthalate-2 + -llnl_gamma 4 log_k 0 - -delta_H 0 # Not possible to calculate enthalpy of reaction O_phthalate-2 + -delta_H 0 # Not possible to calculate enthalpy of reaction O_phthalate-2 # Enthalpy of formation: -0 kcal/mol -Pb+2 = Pb+2 - -llnl_gamma 4.5000 +Pb+2 = Pb+2 + -llnl_gamma 4.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pb+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pb+2 # Enthalpy of formation: 0.22 kcal/mol -Pd+2 = Pd+2 - -llnl_gamma 4.5000 +Pd+2 = Pd+2 + -llnl_gamma 4.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pd+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pd+2 # Enthalpy of formation: 42.08 kcal/mol -Pm+3 = Pm+3 +Pm+3 = Pm+3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pm+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pm+3 # Enthalpy of formation: -688 kJ/mol -Pr+3 = Pr+3 - -llnl_gamma 9.0000 +Pr+3 = Pr+3 + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pr+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pr+3 # Enthalpy of formation: -168.8 kcal/mol -Pu+4 = Pu+4 - -llnl_gamma 5.5000 +Pu+4 = Pu+4 + -llnl_gamma 5.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pu+4 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Pu+4 # Enthalpy of formation: -535.893 kJ/mol -Ra+2 = Ra+2 - -llnl_gamma 5.0000 +Ra+2 = Ra+2 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ra+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Ra+2 # Enthalpy of formation: -126.1 kcal/mol -Rb+ = Rb+ - -llnl_gamma 2.5000 +Rb+ = Rb+ + -llnl_gamma 2.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Rb+ + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Rb+ # Enthalpy of formation: -60.02 kcal/mol -ReO4- = ReO4- - -llnl_gamma 4.0000 +ReO4- = ReO4- + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction ReO4- + -delta_H 0 kJ/mol # Calculated enthalpy of reaction ReO4- # Enthalpy of formation: -188.2 kcal/mol -Rn = Rn - -llnl_gamma 3.0000 +Rn = Rn + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Rn + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Rn # Enthalpy of formation: -5 kcal/mol -RuO4-2 = RuO4-2 - -llnl_gamma 4.0000 +RuO4-2 = RuO4-2 + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction RuO4-2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction RuO4-2 # Enthalpy of formation: -457.075 kJ/mol -SO4-2 = SO4-2 - -llnl_gamma 4.0000 +SO4-2 = SO4-2 + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction SO4-2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction SO4-2 # Enthalpy of formation: -217.4 kcal/mol -Sb(OH)3 = Sb(OH)3 - -llnl_gamma 3.0000 +Sb(OH)3 = Sb(OH)3 + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sb(OH)3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sb(OH)3 # Enthalpy of formation: -773.789 kJ/mol -Sc+3 = Sc+3 - -llnl_gamma 9.0000 +Sc+3 = Sc+3 + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sc+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sc+3 # Enthalpy of formation: -146.8 kcal/mol -SeO3-2 = SeO3-2 - -llnl_gamma 4.0000 +SeO3-2 = SeO3-2 + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction SeO3-2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction SeO3-2 # Enthalpy of formation: -121.7 kcal/mol -SiO2 = SiO2 - -llnl_gamma 3.0000 +SiO2 = SiO2 + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction SiO2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction SiO2 # Enthalpy of formation: -209.775 kcal/mol -Sm+3 = Sm+3 - -llnl_gamma 9.0000 +Sm+3 = Sm+3 + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sm+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sm+3 # Enthalpy of formation: -165.2 kcal/mol -Sn+2 = Sn+2 - -llnl_gamma 6.0000 +Sn+2 = Sn+2 + -llnl_gamma 6 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sn+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sn+2 # Enthalpy of formation: -2.1 kcal/mol -Sr+2 = Sr+2 - -llnl_gamma 5.0000 +Sr+2 = Sr+2 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sr+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Sr+2 # Enthalpy of formation: -131.67 kcal/mol -Tb+3 = Tb+3 - -llnl_gamma 5.0000 +Tb+3 = Tb+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Tb+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Tb+3 # Enthalpy of formation: -166.9 kcal/mol -TcO4- = TcO4- - -llnl_gamma 4.0000 +TcO4- = TcO4- + -llnl_gamma 4 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction TcO4- + -delta_H 0 kJ/mol # Calculated enthalpy of reaction TcO4- # Enthalpy of formation: -716.269 kJ/mol -Th+4 = Th+4 - -llnl_gamma 11.0000 +Th+4 = Th+4 + -llnl_gamma 11 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Th+4 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Th+4 # Enthalpy of formation: -183.8 kcal/mol -Ti(OH)4 = Ti(OH)4 - -llnl_gamma 3.0000 +Ti(OH)4 = Ti(OH)4 + -llnl_gamma 3 log_k 0 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ti(OH)4 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ti(OH)4 # Enthalpy of formation: -0 kcal/mol -Tl+ = Tl+ - -llnl_gamma 2.5000 +Tl+ = Tl+ + -llnl_gamma 2.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Tl+ + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Tl+ # Enthalpy of formation: 1.28 kcal/mol -Tm+3 = Tm+3 - -llnl_gamma 5.0000 +Tm+3 = Tm+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Tm+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Tm+3 # Enthalpy of formation: -168.5 kcal/mol -UO2+2 = UO2+2 - -llnl_gamma 4.5000 +UO2+2 = UO2+2 + -llnl_gamma 4.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction UO2+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction UO2+2 # Enthalpy of formation: -1019 kJ/mol -VO+2 = VO+2 - -llnl_gamma 4.5000 +VO+2 = VO+2 + -llnl_gamma 4.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction VO+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction VO+2 # Enthalpy of formation: -116.3 kcal/mol -WO4-2 = WO4-2 - -llnl_gamma 5.0000 +WO4-2 = WO4-2 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction WO4-2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction WO4-2 # Enthalpy of formation: -257.1 kcal/mol -Xe = Xe - -llnl_gamma 3.0000 +Xe = Xe + -llnl_gamma 3 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Xe + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Xe # Enthalpy of formation: -4.51 kcal/mol -Y+3 = Y+3 - -llnl_gamma 9.0000 +Y+3 = Y+3 + -llnl_gamma 9 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Y+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Y+3 # Enthalpy of formation: -170.9 kcal/mol -Yb+3 = Yb+3 - -llnl_gamma 5.0000 +Yb+3 = Yb+3 + -llnl_gamma 5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Yb+3 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Yb+3 # Enthalpy of formation: -160.3 kcal/mol -Zn+2 = Zn+2 - -llnl_gamma 6.0000 +Zn+2 = Zn+2 + -llnl_gamma 6 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Zn+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Zn+2 # Enthalpy of formation: -36.66 kcal/mol -Zr(OH)2+2 = Zr(OH)2+2 - -llnl_gamma 4.5000 +Zr(OH)2+2 = Zr(OH)2+2 + -llnl_gamma 4.5 log_k 0 - -delta_H 0 kJ/mol # Calculated enthalpy of reaction Zr(OH)2+2 + -delta_H 0 kJ/mol # Calculated enthalpy of reaction Zr(OH)2+2 # Enthalpy of formation: -260.717 kcal/mol -2H2O = O2 + 4H+ + 4e- +2 H2O = O2 + 4 H+ + 4 e- -CO2_llnl_gamma - log_k -85.9951 - -delta_H 559.543 kJ/mol # Calculated enthalpy of reaction O2 + log_k -85.9951 + -delta_H 559.543 kJ/mol # Calculated enthalpy of reaction O2 # Enthalpy of formation: -2.9 kcal/mol - -analytic 38.0229 7.99407E-03 -2.7655e+004 -1.4506e+001 199838.45 + -analytic 38.0229 7.99407E-3 -2.7655e+4 -1.4506e+1 199838.45 # Range: 0-300 - 1.0000 SO4-- + 1.0000 H+ = HS- +2.0000 O2 - -llnl_gamma 3.5 - log_k -138.3169 - -delta_H 869.226 kJ/mol # Calculated enthalpy of reaction HS- + SO4-2 + H+ = HS- + 2 O2 + -llnl_gamma 3.5 + log_k -138.3169 + -delta_H 869.226 kJ/mol # Calculated enthalpy of reaction HS- # Enthalpy of formation: -3.85 kcal/mol - -analytic 2.6251e+001 3.9525e-002 -4.5443e+004 -1.1107e+001 3.1843e+005 + -analytic 2.6251e+1 3.9525e-2 -4.5443e+4 -1.1107e+1 3.1843e+5 # -Range: 0-300 - .5000 O2 + 2.0000 HS- = S2-- + H2O + .5 O2 + 2 HS- = S2-2 + H2O #2 HS- = S2-- +2 H+ + 2e- - -llnl_gamma 4.0 - log_k 33.2673 - -delta_H 0 # Not possible to calculate enthalpy of reaction S2-2 + -llnl_gamma 4 + log_k 33.2673 + -delta_H 0 # Not possible to calculate enthalpy of reaction S2-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.21730E+02 -0.12307E-02 0.10098E+05 -0.88813E+01 0.15757E+03 - -mass_balance S(-2)2 + -analytic 0.2173E+2 -0.12307E-2 0.10098E+5 -0.88813E+1 0.15757E+3 + -mass_balance S(-2)2 # -Range: 0-300 # -add_logk Log_K_O2 0.5 -2.0000 H+ + 2.0000 SO3-- = S2O3-- + O2 + H2O - -llnl_gamma 4.0 - log_k -40.2906 - -delta_H 0 # Not possible to calculate enthalpy of reaction S2O3-2 +2 H+ + 2 SO3-2 = S2O3-2 + O2 + H2O + -llnl_gamma 4 + log_k -40.2906 + -delta_H 0 # Not possible to calculate enthalpy of reaction S2O3-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.77679E+02 0.65761E-01 -0.15438E+05 -0.34651E+02 -0.24092E+03 + -analytic 0.77679E+2 0.65761E-1 -0.15438E+5 -0.34651E+2 -0.24092E+3 # -Range: 0-300 - 1.0000 H+ + 1.0000 Ag+ + 0.2500 O2 = Ag++ +0.5000 H2O - -llnl_gamma 4.5 - log_k -12.1244 - -delta_H 22.9764 kJ/mol # Calculated enthalpy of reaction Ag+2 + H+ + Ag+ + 0.25 O2 = Ag+2 + 0.5 H2O + -llnl_gamma 4.5 + log_k -12.1244 + -delta_H 22.9764 kJ/mol # Calculated enthalpy of reaction Ag+2 # Enthalpy of formation: 64.2 kcal/mol - -analytic -4.7312e+001 -1.5239e-002 -4.1954e+002 1.6622e+001 -6.5328e+000 + -analytic -4.7312e+1 -1.5239e-2 -4.1954e+2 1.6622e+1 -6.5328e+0 # -Range: 0-300 - 1.0000 Am+++ + 0.5000 H2O = Am++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -60.3792 - -delta_H 401.953 kJ/mol # Calculated enthalpy of reaction Am+2 + Am+3 + 0.5 H2O = Am+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -60.3792 + -delta_H 401.953 kJ/mol # Calculated enthalpy of reaction Am+2 # Enthalpy of formation: -354.633 kJ/mol - -analytic 1.4922e+001 3.5993e-003 -2.0987e+004 -2.4146e+000 -3.2749e+002 + -analytic 1.4922e+1 3.5993e-3 -2.0987e+4 -2.4146e+0 -3.2749e+2 # -Range: 0-300 - 1.0000 H+ + 1.0000 Am+++ + 0.2500 O2 = Am++++ +0.5000 H2O - -llnl_gamma 5.5 - log_k -22.7073 - -delta_H 70.8142 kJ/mol # Calculated enthalpy of reaction Am+4 + H+ + Am+3 + 0.25 O2 = Am+4 + 0.5 H2O + -llnl_gamma 5.5 + log_k -22.7073 + -delta_H 70.8142 kJ/mol # Calculated enthalpy of reaction Am+4 # Enthalpy of formation: -406 kJ/mol - -analytic -1.7460e+001 -2.2336e-003 -3.5139e+003 2.9102e+000 -5.4826e+001 + -analytic -1.746e+1 -2.2336e-3 -3.5139e+3 2.9102e+0 -5.4826e+1 # -Range: 0-300 - 1.0000 H2O + 1.0000 Am+++ + 0.5000 O2 = AmO2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -15.384 - -delta_H 104.345 kJ/mol # Calculated enthalpy of reaction AmO2+ + H2O + Am+3 + 0.5 O2 = AmO2+ + 2 H+ + -llnl_gamma 4 + log_k -15.384 + -delta_H 104.345 kJ/mol # Calculated enthalpy of reaction AmO2+ # Enthalpy of formation: -804.26 kJ/mol - -analytic 1.4110e+001 6.9728e-003 -4.2098e+003 -6.0936e+000 -2.1192e+005 + -analytic 1.411e+1 6.9728e-3 -4.2098e+3 -6.0936e+0 -2.1192e+5 # -Range: 0-300 - 1.0000 Am+++ + 0.7500 O2 + 0.5000 H2O = AmO2++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -20.862 - -delta_H 117.959 kJ/mol # Calculated enthalpy of reaction AmO2+2 + Am+3 + 0.75 O2 + 0.5 H2O = AmO2+2 + H+ + -llnl_gamma 4.5 + log_k -20.862 + -delta_H 117.959 kJ/mol # Calculated enthalpy of reaction AmO2+2 # Enthalpy of formation: -650.76 kJ/mol - -analytic 5.7163e+001 4.0278e-003 -8.4633e+003 -2.0550e+001 -1.3208e+002 + -analytic 5.7163e+1 4.0278e-3 -8.4633e+3 -2.055e+1 -1.3208e+2 # -Range: 0-300 - 1.0000 H2AsO4- + 1.0000 H+ = AsH3 +2.0000 O2 - -llnl_gamma 3.0 - log_k -155.1907 - -delta_H 931.183 kJ/mol # Calculated enthalpy of reaction AsH3 + H2AsO4- + H+ = AsH3 + 2 O2 + -llnl_gamma 3 + log_k -155.1907 + -delta_H 931.183 kJ/mol # Calculated enthalpy of reaction AsH3 # Enthalpy of formation: 10.968 kcal/mol - -analytic 2.8310e+002 9.6961e-002 -5.4830e+004 -1.1449e+002 -9.3119e+002 + -analytic 2.831e+2 9.6961e-2 -5.483e+4 -1.1449e+2 -9.3119e+2 # -Range: 0-200 - 2.0000 H+ + 1.0000 Au+ + 0.5000 O2 = Au+++ +1.0000 H2O - -llnl_gamma 5.0 - log_k -4.3506 - -delta_H -73.2911 kJ/mol # Calculated enthalpy of reaction Au+3 + 2 H+ + Au+ + 0.5 O2 = Au+3 + H2O + -llnl_gamma 5 + log_k -4.3506 + -delta_H -73.2911 kJ/mol # Calculated enthalpy of reaction Au+3 # Enthalpy of formation: 96.93 kcal/mol - -analytic -6.8661e+001 -2.6838e-002 4.4549e+003 2.3178e+001 6.9534e+001 + -analytic -6.8661e+1 -2.6838e-2 4.4549e+3 2.3178e+1 6.9534e+1 # -Range: 0-300 - 1.0000 H2O + 1.0000 B(OH)3 = BH4- +2.0000 O2 +1.0000 H+ - -llnl_gamma 4.0 - log_k -237.1028 - -delta_H 1384.24 kJ/mol # Calculated enthalpy of reaction BH4- + H2O + B(OH)3 = BH4- + 2 O2 + H+ + -llnl_gamma 4 + log_k -237.1028 + -delta_H 1384.24 kJ/mol # Calculated enthalpy of reaction BH4- # Enthalpy of formation: 48.131 kJ/mol - -analytic -7.4930e+001 -7.2794e-003 -6.9168e+004 2.9105e+001 -1.0793e+003 + -analytic -7.493e+1 -7.2794e-3 -6.9168e+4 2.9105e+1 -1.0793e+3 # -Range: 0-300 - 3.0000 Br- + 2.0000 H+ + 0.5000 O2 = Br3- +1.0000 H2O - -llnl_gamma 4.0 - log_k +7.0696 - -delta_H -45.6767 kJ/mol # Calculated enthalpy of reaction Br3- + 3 Br- + 2 H+ + 0.5 O2 = Br3- + H2O + -llnl_gamma 4 + log_k 7.0696 + -delta_H -45.6767 kJ/mol # Calculated enthalpy of reaction Br3- # Enthalpy of formation: -31.17 kcal/mol - -analytic 1.4899e+002 6.4017e-002 -3.3831e+002 -6.4596e+001 -5.3232e+000 + -analytic 1.4899e+2 6.4017e-2 -3.3831e+2 -6.4596e+1 -5.3232e+0 # -Range: 0-300 - 1.0000 Br- + 0.5000 O2 = BrO- - -llnl_gamma 4.0 - log_k -10.9167 - -delta_H 33.4302 kJ/mol # Calculated enthalpy of reaction BrO- + Br- + 0.5 O2 = BrO- + -llnl_gamma 4 + log_k -10.9167 + -delta_H 33.4302 kJ/mol # Calculated enthalpy of reaction BrO- # Enthalpy of formation: -22.5 kcal/mol - -analytic 5.4335e+001 1.9509e-003 -4.2860e+003 -2.0799e+001 -6.6896e+001 + -analytic 5.4335e+1 1.9509e-3 -4.286e+3 -2.0799e+1 -6.6896e+1 # -Range: 0-300 - 1.5000 O2 + 1.0000 Br- = BrO3- - -llnl_gamma 3.5 - log_k -17.1443 - -delta_H 72.6342 kJ/mol # Calculated enthalpy of reaction BrO3- + 1.5 O2 + Br- = BrO3- + -llnl_gamma 3.5 + log_k -17.1443 + -delta_H 72.6342 kJ/mol # Calculated enthalpy of reaction BrO3- # Enthalpy of formation: -16.03 kcal/mol - -analytic 3.7156e+001 -4.7855e-003 -4.6208e+003 -1.4136e+001 -2.1385e+005 + -analytic 3.7156e+1 -4.7855e-3 -4.6208e+3 -1.4136e+1 -2.1385e+5 # -Range: 0-300 - 2.0000 O2 + 1.0000 Br- = BrO4- - -llnl_gamma 4.0 - log_k -33.104 - -delta_H 158.741 kJ/mol # Calculated enthalpy of reaction BrO4- + 2 O2 + Br- = BrO4- + -llnl_gamma 4 + log_k -33.104 + -delta_H 158.741 kJ/mol # Calculated enthalpy of reaction BrO4- # Enthalpy of formation: 3.1 kcal/mol - -analytic 8.1393e+001 -2.3409e-003 -1.2290e+004 -2.9336e+001 -1.9180e+002 + -analytic 8.1393e+1 -2.3409e-3 -1.229e+4 -2.9336e+1 -1.918e+2 # -Range: 0-300 -# 1.0000 NH3 + 1.0000 HCO3- = CN- +2.0000 H2O +0.5000 O2 -# -llnl_gamma 3.0 +# 1.0000 NH3 + 1.0000 HCO3- = CN- +2.0000 H2O +0.5000 O2 +# -llnl_gamma 3.0 # log_k -56.0505 # -delta_H 344.151 kJ/mol # Calculated enthalpy of reaction CN- # # Enthalpy of formation: 36 kcal/mol @@ -845,493 +849,493 @@ Zr(OH)2+2 = Zr(OH)2+2 # # -Range: 0-300 Cyanide- = Cyanide- - log_k 0 + log_k 0 - H+ + HCO3- + H2O = CH4 + 2.0000 O2 - -llnl_gamma 3.0 - log_k -144.1412 - -delta_H 863.599 kJ/mol # Calculated enthalpy of reaction CH4 + H+ + HCO3- + H2O = CH4 + 2 O2 + -llnl_gamma 3 + log_k -144.1412 + -delta_H 863.599 kJ/mol # Calculated enthalpy of reaction CH4 # Enthalpy of formation: -21.01 kcal/mol - -analytic -0.41698E+02 0.36584E-01 -0.40675E+05 0.93479E+01 -0.63468E+03 + -analytic -0.41698E+2 0.36584E-1 -0.40675E+5 0.93479E+1 -0.63468E+3 # -Range: 0-300 - 2.0000 H+ + 2.0000 HCO3- + H2O = C2H6 + 3.5000 O2 - -llnl_gamma 3.0 - log_k -228.6072 - -delta_H 0 # Not possible to calculate enthalpy of reaction C2H6 + 2 H+ + 2 HCO3- + H2O = C2H6 + 3.5 O2 + -llnl_gamma 3 + log_k -228.6072 + -delta_H 0 # Not possible to calculate enthalpy of reaction C2H6 # Enthalpy of formation: -0 kcal/mol - -analytic -0.10777E+02 0.72105E-01 -0.67489E+05 -0.13915E+02 -0.10531E+04 + -analytic -0.10777E+2 0.72105E-1 -0.67489E+5 -0.13915E+2 -0.10531E+4 # -Range: 0-300 - 2.000 H+ + 2.0000 HCO3- = C2H4 + 3.0000 O2 - -llnl_gamma 3.0 - log_k -254.5034 - -delta_H 1446.6 kJ/mol # Calculated enthalpy of reaction C2H4 + 2 H+ + 2 HCO3- = C2H4 + 3 O2 + -llnl_gamma 3 + log_k -254.5034 + -delta_H 1446.6 kJ/mol # Calculated enthalpy of reaction C2H4 # Enthalpy of formation: 24.65 kcal/mol - -analytic -0.30329E+02 0.71187E-01 -0.73140E+05 0.00000E+00 0.00000E+00 + -analytic -0.30329E+2 0.71187E-1 -0.7314E+5 0E+0 0E+0 # -Range: 0-300 - 1.0000 HCO3- + 1.0000 H+ = CO +1.0000 H2O +0.5000 O2 - -llnl_gamma 3.0 - log_k -41.7002 - -delta_H 277.069 kJ/mol # Calculated enthalpy of reaction CO + HCO3- + H+ = CO + H2O + 0.5 O2 + -llnl_gamma 3 + log_k -41.7002 + -delta_H 277.069 kJ/mol # Calculated enthalpy of reaction CO # Enthalpy of formation: -28.91 kcal/mol - -analytic 1.0028e+002 4.6877e-002 -1.8062e+004 -4.0263e+001 3.8031e+005 + -analytic 1.0028e+2 4.6877e-2 -1.8062e+4 -4.0263e+1 3.8031e+5 # -Range: 0-300 - 1.0000 Ce+++ + 0.5000 H2O = Ce++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -83.6754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce+2 + Ce+3 + 0.5 H2O = Ce+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -83.6754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce+2 # Enthalpy of formation: -0 kcal/mol - - 1.0000 H+ + 1.0000 Ce+++ + 0.2500 O2 = Ce++++ +0.5000 H2O - -llnl_gamma 5.5 - log_k -7.9154 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce+4 + + H+ + Ce+3 + 0.25 O2 = Ce+4 + 0.5 H2O + -llnl_gamma 5.5 + log_k -7.9154 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce+4 # Enthalpy of formation: -0 kcal/mol - - 1.0000 Cl- + 0.5000 O2 = ClO- - -llnl_gamma 4.0 - log_k -15.1014 - -delta_H 66.0361 kJ/mol # Calculated enthalpy of reaction ClO- + + Cl- + 0.5 O2 = ClO- + -llnl_gamma 4 + log_k -15.1014 + -delta_H 66.0361 kJ/mol # Calculated enthalpy of reaction ClO- # Enthalpy of formation: -25.6 kcal/mol - -analytic 6.1314e+001 3.4812e-003 -6.0952e+003 -2.3043e+001 -9.5128e+001 + -analytic 6.1314e+1 3.4812e-3 -6.0952e+3 -2.3043e+1 -9.5128e+1 # -Range: 0-300 - 1.0000 O2 + 1.0000 Cl- = ClO2- - -llnl_gamma 4.0 - log_k -23.108 - -delta_H 112.688 kJ/mol # Calculated enthalpy of reaction ClO2- + O2 + Cl- = ClO2- + -llnl_gamma 4 + log_k -23.108 + -delta_H 112.688 kJ/mol # Calculated enthalpy of reaction ClO2- # Enthalpy of formation: -15.9 kcal/mol - -analytic 3.3638e+000 -6.1675e-003 -4.9726e+003 -2.0467e+000 -2.5769e+005 + -analytic 3.3638e+0 -6.1675e-3 -4.9726e+3 -2.0467e+0 -2.5769e+5 # -Range: 0-300 - 1.5000 O2 + 1.0000 Cl- = ClO3- - -llnl_gamma 3.5 - log_k -17.2608 - -delta_H 81.3077 kJ/mol # Calculated enthalpy of reaction ClO3- + 1.5 O2 + Cl- = ClO3- + -llnl_gamma 3.5 + log_k -17.2608 + -delta_H 81.3077 kJ/mol # Calculated enthalpy of reaction ClO3- # Enthalpy of formation: -24.85 kcal/mol - -analytic 2.8852e+001 -4.8281e-003 -4.6779e+003 -1.0772e+001 -2.0783e+005 + -analytic 2.8852e+1 -4.8281e-3 -4.6779e+3 -1.0772e+1 -2.0783e+5 # -Range: 0-300 - 2.0000 O2 + 1.0000 Cl- = ClO4- - -llnl_gamma 3.5 - log_k -15.7091 - -delta_H 62.0194 kJ/mol # Calculated enthalpy of reaction ClO4- + 2 O2 + Cl- = ClO4- + -llnl_gamma 3.5 + log_k -15.7091 + -delta_H 62.0194 kJ/mol # Calculated enthalpy of reaction ClO4- # Enthalpy of formation: -30.91 kcal/mol - -analytic 7.0280e+001 -6.8927e-005 -5.5690e+003 -2.6446e+001 -1.6596e+005 + -analytic 7.028e+1 -6.8927e-5 -5.569e+3 -2.6446e+1 -1.6596e+5 # -Range: 0-300 - 1.0000 H+ + 1.0000 Co++ + 0.2500 O2 = Co+++ +0.5000 H2O - -llnl_gamma 5.0 - log_k -11.4845 - -delta_H 10.3198 kJ/mol # Calculated enthalpy of reaction Co+3 + H+ + Co+2 + 0.25 O2 = Co+3 + 0.5 H2O + -llnl_gamma 5 + log_k -11.4845 + -delta_H 10.3198 kJ/mol # Calculated enthalpy of reaction Co+3 # Enthalpy of formation: 22 kcal/mol - -analytic -2.2827e+001 -1.2222e-002 -7.2117e+002 7.0306e+000 -1.1247e+001 + -analytic -2.2827e+1 -1.2222e-2 -7.2117e+2 7.0306e+0 -1.1247e+1 # -Range: 0-300 - 4.0000 H+ + 1.0000 CrO4-- = Cr++ +2.0000 H2O +1.0000 O2 - -llnl_gamma 4.5 - log_k -21.6373 - -delta_H 153.829 kJ/mol # Calculated enthalpy of reaction Cr+2 + 4 H+ + CrO4-2 = Cr+2 + 2 H2O + O2 + -llnl_gamma 4.5 + log_k -21.6373 + -delta_H 153.829 kJ/mol # Calculated enthalpy of reaction Cr+2 # Enthalpy of formation: -34.3 kcal/mol - -analytic 6.9003e+001 6.2884e-002 -6.9847e+003 -3.4720e+001 -1.0901e+002 + -analytic 6.9003e+1 6.2884e-2 -6.9847e+3 -3.472e+1 -1.0901e+2 # -Range: 0-300 - 5.0000 H+ + 1.0000 CrO4-- = Cr+++ +2.5000 H2O +0.7500 O2 - -llnl_gamma 9.0 - log_k +8.3842 - -delta_H -81.0336 kJ/mol # Calculated enthalpy of reaction Cr+3 + 5 H+ + CrO4-2 = Cr+3 + 2.5 H2O + 0.75 O2 + -llnl_gamma 9 + log_k 8.3842 + -delta_H -81.0336 kJ/mol # Calculated enthalpy of reaction Cr+3 # Enthalpy of formation: -57 kcal/mol - -analytic 5.1963e+001 6.0932e-002 5.4256e+003 -3.2290e+001 8.4645e+001 + -analytic 5.1963e+1 6.0932e-2 5.4256e+3 -3.229e+1 8.4645e+1 # -Range: 0-300 - 0.5000 H2O + 1.0000 CrO4-- = CrO4--- +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.0 - log_k -19.7709 - -delta_H 0 # Not possible to calculate enthalpy of reaction CrO4-3 + 0.5 H2O + CrO4-2 = CrO4-3 + H+ + 0.25 O2 + -llnl_gamma 4 + log_k -19.7709 + -delta_H 0 # Not possible to calculate enthalpy of reaction CrO4-3 # Enthalpy of formation: -0 kcal/mol - - 1.0000 Cu++ + 0.5000 H2O = Cu+ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.0 - log_k -18.7704 - -delta_H 145.877 kJ/mol # Calculated enthalpy of reaction Cu+ + + Cu+2 + 0.5 H2O = Cu+ + H+ + 0.25 O2 + -llnl_gamma 4 + log_k -18.7704 + -delta_H 145.877 kJ/mol # Calculated enthalpy of reaction Cu+ # Enthalpy of formation: 17.132 kcal/mol - -analytic 3.7909e+001 1.3731e-002 -8.1506e+003 -1.3508e+001 -1.2719e+002 + -analytic 3.7909e+1 1.3731e-2 -8.1506e+3 -1.3508e+1 -1.2719e+2 # -Range: 0-300 - 1.0000 Dy+++ + 0.5000 H2O = Dy++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -61.0754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Dy+2 + Dy+3 + 0.5 H2O = Dy+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -61.0754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Dy+2 # Enthalpy of formation: -0 kcal/mol - - 1.0000 Er+++ + 0.5000 H2O = Er++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -70.1754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Er+2 + + Er+3 + 0.5 H2O = Er+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -70.1754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Er+2 # Enthalpy of formation: -0 kcal/mol - - 1.0000 Eu+++ + 0.5000 H2O = Eu++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -27.5115 - -delta_H 217.708 kJ/mol # Calculated enthalpy of reaction Eu+2 + + Eu+3 + 0.5 H2O = Eu+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -27.5115 + -delta_H 217.708 kJ/mol # Calculated enthalpy of reaction Eu+2 # Enthalpy of formation: -126.1 kcal/mol - -analytic 3.0300e+001 1.4126e-002 -1.2319e+004 -9.0585e+000 1.5289e+005 + -analytic 3.03e+1 1.4126e-2 -1.2319e+4 -9.0585e+0 1.5289e+5 # -Range: 0-300 - 1.0000 H+ + 1.0000 Fe++ + 0.2500 O2 = Fe+++ +0.5000 H2O - -llnl_gamma 9.0 - log_k +8.4899 - -delta_H -97.209 kJ/mol # Calculated enthalpy of reaction Fe+3 + H+ + Fe+2 + 0.25 O2 = Fe+3 + 0.5 H2O + -llnl_gamma 9 + log_k 8.4899 + -delta_H -97.209 kJ/mol # Calculated enthalpy of reaction Fe+3 # Enthalpy of formation: -11.85 kcal/mol - -analytic -1.7808e+001 -1.1753e-002 4.7609e+003 5.5866e+000 7.4295e+001 + -analytic -1.7808e+1 -1.1753e-2 4.7609e+3 5.5866e+0 7.4295e+1 # -Range: 0-300 - 1.0000 Gd+++ + 0.5000 H2O = Gd++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -84.6754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gd+2 + Gd+3 + 0.5 H2O = Gd+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -84.6754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gd+2 # Enthalpy of formation: -0 kcal/mol - - 1.0000 H2O = H2 +0.5000 O2 + + H2O = H2 + 0.5 O2 -CO2_llnl_gamma - log_k -46.1066 - -delta_H 275.588 kJ/mol # Calculated enthalpy of reaction H2 + log_k -46.1066 + -delta_H 275.588 kJ/mol # Calculated enthalpy of reaction H2 # Enthalpy of formation: -1 kcal/mol - -analytic 6.6835e+001 1.7172e-002 -1.8849e+004 -2.4092e+001 4.2501e+005 + -analytic 6.6835e+1 1.7172e-2 -1.8849e+4 -2.4092e+1 4.2501e+5 # -Range: 0-300 - 1.0000 H2AsO4- = H2AsO3- +0.5000 O2 - -llnl_gamma 4.0 - log_k -30.5349 - -delta_H 188.698 kJ/mol # Calculated enthalpy of reaction H2AsO3- + H2AsO4- = H2AsO3- + 0.5 O2 + -llnl_gamma 4 + log_k -30.5349 + -delta_H 188.698 kJ/mol # Calculated enthalpy of reaction H2AsO3- # Enthalpy of formation: -170.84 kcal/mol - -analytic 7.4245e+001 1.4885e-002 -1.4218e+004 -2.6403e+001 3.3822e+005 + -analytic 7.4245e+1 1.4885e-2 -1.4218e+4 -2.6403e+1 3.3822e+5 # -Range: 0-300 - 1.0000 SO4-- + 1.0000 H+ + 0.5000 O2 = HSO5- - -llnl_gamma 4.0 - log_k -17.2865 - -delta_H 140.038 kJ/mol # Calculated enthalpy of reaction HSO5- + SO4-2 + H+ + 0.5 O2 = HSO5- + -llnl_gamma 4 + log_k -17.2865 + -delta_H 140.038 kJ/mol # Calculated enthalpy of reaction HSO5- # Enthalpy of formation: -185.38 kcal/mol - -analytic 5.9944e+001 3.0904e-002 -7.7494e+003 -2.4420e+001 -1.2094e+002 + -analytic 5.9944e+1 3.0904e-2 -7.7494e+3 -2.442e+1 -1.2094e+2 # -Range: 0-300 - 1.0000 SeO3-- + 1.0000 H+ = HSe- +1.5000 O2 - -llnl_gamma 4.0 - log_k -76.8418 - -delta_H 506.892 kJ/mol # Calculated enthalpy of reaction HSe- + SeO3-2 + H+ = HSe- + 1.5 O2 + -llnl_gamma 4 + log_k -76.8418 + -delta_H 506.892 kJ/mol # Calculated enthalpy of reaction HSe- # Enthalpy of formation: 3.8 kcal/mol - -analytic 4.7105e+001 4.3116e-002 -2.6949e+004 -1.9895e+001 2.5305e+005 + -analytic 4.7105e+1 4.3116e-2 -2.6949e+4 -1.9895e+1 2.5305e+5 # -Range: 0-300 - 2.0000 Hg++ + 1.0000 H2O = Hg2++ +2.0000 H+ +0.5000 O2 - -llnl_gamma 4.0 - log_k -12.208 - -delta_H 106.261 kJ/mol # Calculated enthalpy of reaction Hg2+2 + 2 Hg+2 + H2O = Hg2+2 + 2 H+ + 0.5 O2 + -llnl_gamma 4 + log_k -12.208 + -delta_H 106.261 kJ/mol # Calculated enthalpy of reaction Hg2+2 # Enthalpy of formation: 39.87 kcal/mol - -analytic 5.5010e+001 1.9050e-002 -4.7967e+003 -2.2952e+001 -7.4864e+001 + -analytic 5.501e+1 1.905e-2 -4.7967e+3 -2.2952e+1 -7.4864e+1 # -Range: 0-300 - 1.0000 Ho+++ + 0.5000 H2O = Ho++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -67.3754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ho+2 + Ho+3 + 0.5 H2O = Ho+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -67.3754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ho+2 # Enthalpy of formation: -0 kcal/mol - - 3.0000 I- + 2.0000 H+ + 0.5000 O2 = I3- +1.0000 H2O - -llnl_gamma 4.0 - log_k +24.7278 - -delta_H -160.528 kJ/mol # Calculated enthalpy of reaction I3- + + 3 I- + 2 H+ + 0.5 O2 = I3- + H2O + -llnl_gamma 4 + log_k 24.7278 + -delta_H -160.528 kJ/mol # Calculated enthalpy of reaction I3- # Enthalpy of formation: -12.3 kcal/mol - -analytic 1.4788e+002 6.6206e-002 5.7407e+003 -6.5517e+001 8.9535e+001 + -analytic 1.4788e+2 6.6206e-2 5.7407e+3 -6.5517e+1 8.9535e+1 # -Range: 0-300 - 1.0000 I- + 0.5000 O2 = IO- - -llnl_gamma 4.0 - log_k -0.9038 - -delta_H -44.5596 kJ/mol # Calculated enthalpy of reaction IO- + I- + 0.5 O2 = IO- + -llnl_gamma 4 + log_k -0.9038 + -delta_H -44.5596 kJ/mol # Calculated enthalpy of reaction IO- # Enthalpy of formation: -25.7 kcal/mol - -analytic 2.7568e+000 -5.5671e-003 3.2484e+003 -3.9065e+000 -2.8800e+005 + -analytic 2.7568e+0 -5.5671e-3 3.2484e+3 -3.9065e+0 -2.88e+5 # -Range: 0-300 - 1.5000 O2 + 1.0000 I- = IO3- - -llnl_gamma 4.0 - log_k +17.6809 - -delta_H -146.231 kJ/mol # Calculated enthalpy of reaction IO3- + 1.5 O2 + I- = IO3- + -llnl_gamma 4 + log_k 17.6809 + -delta_H -146.231 kJ/mol # Calculated enthalpy of reaction IO3- # Enthalpy of formation: -52.9 kcal/mol - -analytic -2.2971e+001 -1.3478e-002 9.5977e+003 6.6010e+000 -3.4371e+005 + -analytic -2.2971e+1 -1.3478e-2 9.5977e+3 6.601e+0 -3.4371e+5 # -Range: 0-300 - 2.0000 O2 + 1.0000 I- = IO4- - -llnl_gamma 3.5 - log_k +6.9621 - -delta_H -70.2912 kJ/mol # Calculated enthalpy of reaction IO4- + 2 O2 + I- = IO4- + -llnl_gamma 3.5 + log_k 6.9621 + -delta_H -70.2912 kJ/mol # Calculated enthalpy of reaction IO4- # Enthalpy of formation: -36.2 kcal/mol - -analytic 2.1232e+001 -7.8107e-003 3.5803e+003 -8.5272e+000 -2.5422e+005 + -analytic 2.1232e+1 -7.8107e-3 3.5803e+3 -8.5272e+0 -2.5422e+5 # -Range: 0-300 - 1.0000 La+++ + 0.5000 H2O = La++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -72.4754 - -delta_H 0 # Not possible to calculate enthalpy of reaction La+2 + La+3 + 0.5 H2O = La+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -72.4754 + -delta_H 0 # Not possible to calculate enthalpy of reaction La+2 # Enthalpy of formation: -0 kcal/mol - - 1.0000 Mn++ + 1.0000 H+ + 0.2500 O2 = Mn+++ +0.5000 H2O - -llnl_gamma 5.0 - log_k -4.0811 - -delta_H -65.2892 kJ/mol # Calculated enthalpy of reaction Mn+3 + + Mn+2 + H+ + 0.25 O2 = Mn+3 + 0.5 H2O + -llnl_gamma 5 + log_k -4.0811 + -delta_H -65.2892 kJ/mol # Calculated enthalpy of reaction Mn+3 # Enthalpy of formation: -34.895 kcal/mol - -analytic 3.8873e+001 1.7458e-002 2.0757e+003 -2.2274e+001 3.2378e+001 + -analytic 3.8873e+1 1.7458e-2 2.0757e+3 -2.2274e+1 3.2378e+1 # -Range: 0-300 - 2.0000 H2O + 1.0000 O2 + 1.0000 Mn++ = MnO4-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -32.4146 - -delta_H 151.703 kJ/mol # Calculated enthalpy of reaction MnO4-2 + 2 H2O + O2 + Mn+2 = MnO4-2 + 4 H+ + -llnl_gamma 4 + log_k -32.4146 + -delta_H 151.703 kJ/mol # Calculated enthalpy of reaction MnO4-2 # Enthalpy of formation: -156 kcal/mol - -analytic -1.0407e+001 -4.6464e-002 -1.0515e+004 1.0943e+001 -1.6408e+002 + -analytic -1.0407e+1 -4.6464e-2 -1.0515e+4 1.0943e+1 -1.6408e+2 # -Range: 0-300 - 2.0000 NH3 + 1.5000 O2 = N2 +3.0000 H2O - -llnl_gamma 3.0 - log_k +116.4609 - -delta_H -687.08 kJ/mol # Calculated enthalpy of reaction N2 + 2 NH3 + 1.5 O2 = N2 + 3 H2O + -llnl_gamma 3 + log_k 116.4609 + -delta_H -687.08 kJ/mol # Calculated enthalpy of reaction N2 # Enthalpy of formation: -2.495 kcal/mol - -analytic -8.2621e+001 -1.4671e-002 4.0068e+004 2.9090e+001 -2.5924e+005 + -analytic -8.2621e+1 -1.4671e-2 4.0068e+4 2.909e+1 -2.5924e+5 # -Range: 0-300 - 3.0000 NH3 + 2.0000 O2 = N3- +4.0000 H2O +1.0000 H+ - -llnl_gamma 4.0 - log_k +96.9680 - -delta_H -599.935 kJ/mol # Calculated enthalpy of reaction N3- + 3 NH3 + 2 O2 = N3- + 4 H2O + H+ + -llnl_gamma 4 + log_k 96.968 + -delta_H -599.935 kJ/mol # Calculated enthalpy of reaction N3- # Enthalpy of formation: 275.14 kJ/mol - -analytic -9.1080e+001 -4.0817e-002 3.6350e+004 3.4484e+001 -6.2678e+005 + -analytic -9.108e+1 -4.0817e-2 3.635e+4 3.4484e+1 -6.2678e+5 # -Range: 0-300 - 1.5000 O2 + 1.0000 NH3 = NO2- +1.0000 H+ +1.0000 H2O - -llnl_gamma 3.0 - log_k +46.8653 - -delta_H -290.901 kJ/mol # Calculated enthalpy of reaction NO2- + 1.5 O2 + NH3 = NO2- + H+ + H2O + -llnl_gamma 3 + log_k 46.8653 + -delta_H -290.901 kJ/mol # Calculated enthalpy of reaction NO2- # Enthalpy of formation: -25 kcal/mol - -analytic -1.7011e+001 -3.3459e-002 1.3999e+004 1.1078e+001 -4.8255e+004 + -analytic -1.7011e+1 -3.3459e-2 1.3999e+4 1.1078e+1 -4.8255e+4 # -Range: 0-300 - 2.0000 O2 + 1.0000 NH3 = NO3- +1.0000 H+ +1.0000 H2O - -llnl_gamma 3.0 - log_k +62.1001 - -delta_H -387.045 kJ/mol # Calculated enthalpy of reaction NO3- + 2 O2 + NH3 = NO3- + H+ + H2O + -llnl_gamma 3 + log_k 62.1001 + -delta_H -387.045 kJ/mol # Calculated enthalpy of reaction NO3- # Enthalpy of formation: -49.429 kcal/mol - -analytic -3.9468e+001 -3.9697e-002 2.0614e+004 1.8872e+001 -2.1917e+005 + -analytic -3.9468e+1 -3.9697e-2 2.0614e+4 1.8872e+1 -2.1917e+5 # -Range: 0-300 - 1.0000 Nd+++ + 0.5000 H2O = Nd++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -64.3754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd+2 + Nd+3 + 0.5 H2O = Nd+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -64.3754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd+2 # Enthalpy of formation: -0 kcal/mol - - 1.0000 Np++++ + 0.5000 H2O = Np+++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 5.0 - log_k -19.0131 - -delta_H 168.787 kJ/mol # Calculated enthalpy of reaction Np+3 + + Np+4 + 0.5 H2O = Np+3 + H+ + 0.25 O2 + -llnl_gamma 5 + log_k -19.0131 + -delta_H 168.787 kJ/mol # Calculated enthalpy of reaction Np+3 # Enthalpy of formation: -527.1 kJ/mol - -analytic 1.6615e+001 2.4645e-003 -8.9343e+003 -2.5829e+000 -1.3942e+002 + -analytic 1.6615e+1 2.4645e-3 -8.9343e+3 -2.5829e+0 -1.3942e+2 # -Range: 0-300 - 1.5000 H2O + 1.0000 Np++++ + 0.2500 O2 = NpO2+ +3.0000 H+ - -llnl_gamma 4.0 - log_k +10.5928 - -delta_H 9.80089 kJ/mol # Calculated enthalpy of reaction NpO2+ + 1.5 H2O + Np+4 + 0.25 O2 = NpO2+ + 3 H+ + -llnl_gamma 4 + log_k 10.5928 + -delta_H 9.80089 kJ/mol # Calculated enthalpy of reaction NpO2+ # Enthalpy of formation: -977.991 kJ/mol - -analytic 1.2566e+001 7.5467e-003 1.6921e+003 -2.7125e+000 -2.8381e+005 + -analytic 1.2566e+1 7.5467e-3 1.6921e+3 -2.7125e+0 -2.8381e+5 # -Range: 0-300 - 1.0000 Np++++ + 1.0000 H2O + 0.5000 O2 = NpO2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k +11.2107 - -delta_H -12.5719 kJ/mol # Calculated enthalpy of reaction NpO2+2 + Np+4 + H2O + 0.5 O2 = NpO2+2 + 2 H+ + -llnl_gamma 4.5 + log_k 11.2107 + -delta_H -12.5719 kJ/mol # Calculated enthalpy of reaction NpO2+2 # Enthalpy of formation: -860.478 kJ/mol - -analytic 2.5510e+001 1.1973e-003 1.2753e+003 -6.7082e+000 -2.0792e+005 -# -Range: 0-300 - - 2.0000 H+ + 1.0000 Pb++ + 0.5000 O2 = Pb++++ +1.0000 H2O - -llnl_gamma 5.5 - log_k -14.1802 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb+4 -# Enthalpy of formation: -0 kcal/mol - - 1.0000 Pm+++ + 0.5000 H2O = Pm++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -65.2754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm+2 -# Enthalpy of formation: -0 kcal/mol - - 1.0000 Pr+++ + 0.5000 H2O = Pr++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -79.9754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pr+2 -# Enthalpy of formation: -0 kcal/mol - - 1.0000 Pu++++ + 0.5000 H2O = Pu+++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 5.0 - log_k -4.5071 - -delta_H 84.2268 kJ/mol # Calculated enthalpy of reaction Pu+3 + -analytic 2.551e+1 1.1973e-3 1.2753e+3 -6.7082e+0 -2.0792e+5 +# -Range: 0-300 + + 2 H+ + Pb+2 + 0.5 O2 = Pb+4 + H2O + -llnl_gamma 5.5 + log_k -14.1802 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb+4 +# Enthalpy of formation: -0 kcal/mol + + Pm+3 + 0.5 H2O = Pm+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -65.2754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm+2 +# Enthalpy of formation: -0 kcal/mol + + Pr+3 + 0.5 H2O = Pr+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -79.9754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pr+2 +# Enthalpy of formation: -0 kcal/mol + + Pu+4 + 0.5 H2O = Pu+3 + H+ + 0.25 O2 + -llnl_gamma 5 + log_k -4.5071 + -delta_H 84.2268 kJ/mol # Calculated enthalpy of reaction Pu+3 # Enthalpy of formation: -591.552 kJ/mol - -analytic 2.0655e+001 3.2688e-003 -4.7434e+003 -4.1907e+000 1.2944e+004 + -analytic 2.0655e+1 3.2688e-3 -4.7434e+3 -4.1907e+0 1.2944e+4 # -Range: 0-300 - 1.5000 H2O + 1.0000 Pu++++ + 0.2500 O2 = PuO2+ +3.0000 H+ - -llnl_gamma 4.0 - log_k +2.9369 - -delta_H 53.5009 kJ/mol # Calculated enthalpy of reaction PuO2+ + 1.5 H2O + Pu+4 + 0.25 O2 = PuO2+ + 3 H+ + -llnl_gamma 4 + log_k 2.9369 + -delta_H 53.5009 kJ/mol # Calculated enthalpy of reaction PuO2+ # Enthalpy of formation: -914.183 kJ/mol - -analytic -2.0464e+001 2.8265e-003 1.2131e+003 9.2156e+000 -3.8400e+005 + -analytic -2.0464e+1 2.8265e-3 1.2131e+3 9.2156e+0 -3.84e+5 # -Range: 0-300 - 1.0000 Pu++++ + 1.0000 H2O + 0.5000 O2 = PuO2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k +8.1273 - -delta_H 6.22013 kJ/mol # Calculated enthalpy of reaction PuO2+2 + Pu+4 + H2O + 0.5 O2 = PuO2+2 + 2 H+ + -llnl_gamma 4.5 + log_k 8.1273 + -delta_H 6.22013 kJ/mol # Calculated enthalpy of reaction PuO2+2 # Enthalpy of formation: -821.578 kJ/mol - -analytic 3.5219e+001 2.5202e-003 -2.4760e+002 -1.0120e+001 -1.7569e+005 -# -Range: 0-300 - - 4.0000 H+ + 1.0000 RuO4-- = Ru(OH)2++ +1.0000 H2O +0.5000 O2 - -llnl_gamma 4.5 - log_k +25.2470 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2+2 -# Enthalpy of formation: -0 kcal/mol - - 4.0000 H+ + 1.0000 RuO4-- = Ru++ +2.0000 H2O +1.0000 O2 - -llnl_gamma 4.5 - log_k +0.1610 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru+2 -# Enthalpy of formation: -0 kcal/mol - - 5.0000 H+ + 1.0000 RuO4-- = Ru+++ +2.5000 H2O +0.7500 O2 - -llnl_gamma 5.0 - log_k +17.6149 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru+3 -# Enthalpy of formation: -0 kcal/mol - - 2.0000 H+ + 1.0000 RuO4-- + 0.5000 O2 = RuO4 +1.0000 H2O - -llnl_gamma 3.0 - log_k +16.2672 - -delta_H -60.8385 kJ/mol # Calculated enthalpy of reaction RuO4 + -analytic 3.5219e+1 2.5202e-3 -2.476e+2 -1.012e+1 -1.7569e+5 +# -Range: 0-300 + + 4 H+ + RuO4-2 = Ru(OH)2+2 + H2O + 0.5 O2 + -llnl_gamma 4.5 + log_k 25.247 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2+2 +# Enthalpy of formation: -0 kcal/mol + + 4 H+ + RuO4-2 = Ru+2 + 2 H2O + O2 + -llnl_gamma 4.5 + log_k 0.161 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru+2 +# Enthalpy of formation: -0 kcal/mol + + 5 H+ + RuO4-2 = Ru+3 + 2.5 H2O + 0.75 O2 + -llnl_gamma 5 + log_k 17.6149 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru+3 +# Enthalpy of formation: -0 kcal/mol + + 2 H+ + RuO4-2 + 0.5 O2 = RuO4 + H2O + -llnl_gamma 3 + log_k 16.2672 + -delta_H -60.8385 kJ/mol # Calculated enthalpy of reaction RuO4 # Enthalpy of formation: -238.142 kJ/mol - -analytic 1.9964e+002 6.8286e-002 -1.2020e+003 -8.0706e+001 -2.0481e+001 + -analytic 1.9964e+2 6.8286e-2 -1.202e+3 -8.0706e+1 -2.0481e+1 # -Range: 0-200 - 1.0000 RuO4-- + 1.0000 H+ + 0.2500 O2 = RuO4- +0.5000 H2O - -llnl_gamma 4.0 - log_k +11.6024 - -delta_H -16.1998 kJ/mol # Calculated enthalpy of reaction RuO4- + RuO4-2 + H+ + 0.25 O2 = RuO4- + 0.5 H2O + -llnl_gamma 4 + log_k 11.6024 + -delta_H -16.1998 kJ/mol # Calculated enthalpy of reaction RuO4- # Enthalpy of formation: -333.389 kJ/mol - -analytic -1.9653e+000 8.8623e-003 1.8588e+003 1.8998e+000 2.9005e+001 + -analytic -1.9653e+0 8.8623e-3 1.8588e+3 1.8998e+0 2.9005e+1 # -Range: 0-300 - 2.0000 H+ + 2.0000 SO3-- = S2O4-- + .500 O2 + H2O - -llnl_gamma 5.0 + 2 H+ + 2 SO3-2 = S2O4-2 + .5 O2 + H2O + -llnl_gamma 5 # log_k -25.2075 - log_k -25.2076 - -delta_H 0 # Not possible to calculate enthalpy of reaction S2O4-2 + log_k -25.2076 + -delta_H 0 # Not possible to calculate enthalpy of reaction S2O4-2 # Enthalpy of formation: -0 kcal/mol # -analytic -0.15158E+05 -0.31356E+01 0.47072E+06 0.58544E+04 0.73497E+04 - -analytic -2.3172e2 2.0393e-3 -7.1011e0 8.3239e1 9.4155e-1 + -analytic -2.3172e2 2.0393e-3 -7.1011e0 8.3239e1 9.4155e-1 # changed 3/23/04, corrected to supcrt temperature dependence, GMA # -Range: 0-300 # 2.0000 SO3-- + .500 O2 + 2.0000 H+ = S2O6-- + H2O -# H2O = .5 O2 + 2H+ + 2e- -2SO3-- = S2O6-- + 2e- - -llnl_gamma 4.0 - log_k 41.8289 - -delta_H 0 # Not possible to calculate enthalpy of reaction S2O6-2 +# H2O = .5 O2 + 2H+ + 2e- +2 SO3-2 = S2O6-2 + 2 e- + -llnl_gamma 4 + log_k 41.8289 + -delta_H 0 # Not possible to calculate enthalpy of reaction S2O6-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.14458E+03 0.61449E-01 0.71877E+04 -0.58657E+02 0.11211E+03 + -analytic 0.14458E+3 0.61449E-1 0.71877E+4 -0.58657E+2 0.11211E+3 # -Range: 0-300 - -add_logk Log_K_O2 0.5 + -add_logk Log_K_O2 0.5 - 2.0000 SO3-- + 1.500 O2 + 2.0000 H+ = S2O8-- + H2O - -llnl_gamma 4.0 - log_k 70.7489 - -delta_H 0 # Not possible to calculate enthalpy of reaction S2O8-2 + 2 SO3-2 + 1.5 O2 + 2 H+ = S2O8-2 + H2O + -llnl_gamma 4 + log_k 70.7489 + -delta_H 0 # Not possible to calculate enthalpy of reaction S2O8-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.18394E+03 0.60414E-01 0.13864E+05 -0.71804E+02 0.21628E+03 + -analytic 0.18394E+3 0.60414E-1 0.13864E+5 -0.71804E+2 0.21628E+3 # -Range: 0-300 -O2 + H+ + 3.0000 HS- = S3-- + 2.0000 H2O +O2 + H+ + 3 HS- = S3-2 + 2 H2O # 2H2O = O2 + 4H+ + 4e- #3HS- = S3-- + 3H+ + 4e- - -llnl_gamma 4.0 - log_k 79.3915 - -delta_H 0 # Not possible to calculate enthalpy of reaction S3-2 + -llnl_gamma 4 + log_k 79.3915 + -delta_H 0 # Not possible to calculate enthalpy of reaction S3-2 # Enthalpy of formation: -0 kcal/mol - -analytic -0.51626E+02 0.70208E-02 0.31797E+05 0.11927E+02 -0.64249E+06 - -mass_balance S(-2)3 + -analytic -0.51626E+2 0.70208E-2 0.31797E+5 0.11927E+2 -0.64249E+6 + -mass_balance S(-2)3 # -Range: 0-300 # -add_logk Log_K_O2 1.0 # 3.0000 SO3-- + 4.0000 H+ = S3O6-- + .500 O2 + 2.0000 H2O # .5 O2 + 2H+ + 2e- = H2O -3SO3-- + 6 H+ + 2e- = S3O6-- + 3H2O - -llnl_gamma 4.0 - log_k -6.2316 - -delta_H 0 # Not possible to calculate enthalpy of reaction S3O6-2 +3 SO3-2 + 6 H+ + 2 e- = S3O6-2 + 3 H2O + -llnl_gamma 4 + log_k -6.2316 + -delta_H 0 # Not possible to calculate enthalpy of reaction S3O6-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.23664E+03 0.12702E+00 -0.10110E+05 -0.99715E+02 -0.15783E+03 + -analytic 0.23664E+3 0.12702E+0 -0.1011E+5 -0.99715E+2 -0.15783E+3 # -Range: 0-300 - -add_logk Log_K_O2 -0.5 + -add_logk Log_K_O2 -0.5 -1.5000 O2 + 2.0000 H+ + 4.0000 HS- = S4-- + 3.0000 H2O +1.5 O2 + 2 H+ + 4 HS- = S4-2 + 3 H2O #4 HS- = S4-- + 4H+ + 6e- - -llnl_gamma 4.0 - log_k 125.2958 - -delta_H 0 # Not possible to calculate enthalpy of reaction S4-2 + -llnl_gamma 4 + log_k 125.2958 + -delta_H 0 # Not possible to calculate enthalpy of reaction S4-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.20875E+03 0.58133E-01 0.33278E+05 -0.85833E+02 0.51921E+03 - -mass_balance S(-2)4 + -analytic 0.20875E+3 0.58133E-1 0.33278E+5 -0.85833E+2 0.51921E+3 + -mass_balance S(-2)4 # -Range: 0-300 # -add_logk Log_K_O2 1.5 # 4.0000 SO3-- + 6.0000 H+ = S4O6-- + 1.500 O2 + 3.0000 H2O -4 SO3-- + 12 H+ + 6e- = S4O6-- + 6H2O - -llnl_gamma 4.0 - log_k -38.3859 - -delta_H 0 # Not possible to calculate enthalpy of reaction S4O6-2 +4 SO3-2 + 12 H+ + 6 e- = S4O6-2 + 6 H2O + -llnl_gamma 4 + log_k -38.3859 + -delta_H 0 # Not possible to calculate enthalpy of reaction S4O6-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.32239E+03 0.19555E+00 -0.23617E+05 -0.13729E+03 -0.36862E+03 + -analytic 0.32239E+3 0.19555E+0 -0.23617E+5 -0.13729E+3 -0.36862E+3 # -Range: 0-300 - -add_logk Log_K_O2 -1.5 + -add_logk Log_K_O2 -1.5 -2.0000 O2 + 3.0000 H+ + 5.0000 HS- = S5-- + 4.0000 H2O +2 O2 + 3 H+ + 5 HS- = S5-2 + 4 H2O #5 HS- = S5-- + 5H+ + 8e- - -llnl_gamma 4.0 - log_k 170.9802 - -delta_H 0 # Not possible to calculate enthalpy of reaction S5-2 + -llnl_gamma 4 + log_k 170.9802 + -delta_H 0 # Not possible to calculate enthalpy of reaction S5-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.30329E+03 0.88033E-01 0.44739E+05 -0.12471E+03 0.69803E+03 - -mass_balance S(-2)5 + -analytic 0.30329E+3 0.88033E-1 0.44739E+5 -0.12471E+3 0.69803E+3 + -mass_balance S(-2)5 # -Range: 0-300 # -add_logk Log_K_O2 2 # 5.0000 SO3-- + 8.0000 H+ = S5O6-- + 2.5000 O2 + 4.0000 H2O # 2.5O2 + 10 H+ + 10e- = 5H2O -5SO3-- + 18H+ + 10e- = S5O6-- + 9H2O - -llnl_gamma 4.0 - log_k -99.4206 - -delta_H 0 # Not possible to calculate enthalpy of reaction S5O6-2 +5 SO3-2 + 18 H+ + 10 e- = S5O6-2 + 9 H2O + -llnl_gamma 4 + log_k -99.4206 + -delta_H 0 # Not possible to calculate enthalpy of reaction S5O6-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.42074E+03 0.25833E+00 -0.43878E+05 -0.18178E+03 -0.68480E+03 + -analytic 0.42074E+3 0.25833E+0 -0.43878E+5 -0.18178E+3 -0.6848E+3 # -Range: 0-300 - -add_logk Log_K_O2 -2.5 + -add_logk Log_K_O2 -2.5 # 1.0000 H+ + HCO3- + HS- + NH3 = SCN- + 3.0000 H2O -# -llnl_gamma 3.5 +# -llnl_gamma 3.5 # log_k 3.0070 # -delta_H 0 # Not possible to calculate enthalpy of reaction SCN- ## Enthalpy of formation: -0 kcal/mol @@ -1339,17541 +1343,17541 @@ O2 + H+ + 3.0000 HS- = S3-- + 2.0000 H2O ## -Range: 0-300 Thiocyanate- = Thiocyanate- - log_k 0.0 + log_k 0 - 1.0000 SO4-- = SO3-- +0.5000 O2 - -llnl_gamma 4.5 - log_k -46.6244 - -delta_H 267.985 kJ/mol # Calculated enthalpy of reaction SO3-2 + SO4-2 = SO3-2 + 0.5 O2 + -llnl_gamma 4.5 + log_k -46.6244 + -delta_H 267.985 kJ/mol # Calculated enthalpy of reaction SO3-2 # Enthalpy of formation: -151.9 kcal/mol - -analytic -1.3771e+001 6.5102e-004 -1.3330e+004 4.7164e+000 -2.0800e+002 + -analytic -1.3771e+1 6.5102e-4 -1.333e+4 4.7164e+0 -2.08e+2 # -Range: 0-300 -1.0000 HSe- = Se-- + 1.0000 H+ - -llnl_gamma 4.0 - log_k -14.9534 - -delta_H 0 # Not possible to calculate enthalpy of reaction Se-2 +HSe- = Se-2 + H+ + -llnl_gamma 4 + log_k -14.9534 + -delta_H 0 # Not possible to calculate enthalpy of reaction Se-2 # Enthalpy of formation: -0 kcal/mol - -analytic 1.0244e+002 3.1346e-002 -5.4190e+003 -4.3871e+001 -8.4589e+001 + -analytic 1.0244e+2 3.1346e-2 -5.419e+3 -4.3871e+1 -8.4589e+1 # -Range: 0-300 - 1.0000 SeO3-- + 0.5000 O2 = SeO4-- - -llnl_gamma 4.0 - log_k +13.9836 - -delta_H -83.8892 kJ/mol # Calculated enthalpy of reaction SeO4-2 + SeO3-2 + 0.5 O2 = SeO4-2 + -llnl_gamma 4 + log_k 13.9836 + -delta_H -83.8892 kJ/mol # Calculated enthalpy of reaction SeO4-2 # Enthalpy of formation: -143.2 kcal/mol - -analytic -7.2314e+001 -1.3657e-002 8.6969e+003 2.6182e+001 -3.1897e+005 + -analytic -7.2314e+1 -1.3657e-2 8.6969e+3 2.6182e+1 -3.1897e+5 # -Range: 0-300 - 1.0000 Sm+++ + 0.5000 H2O = Sm++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -47.9624 - -delta_H 326.911 kJ/mol # Calculated enthalpy of reaction Sm+2 + Sm+3 + 0.5 H2O = Sm+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -47.9624 + -delta_H 326.911 kJ/mol # Calculated enthalpy of reaction Sm+2 # Enthalpy of formation: -120.5 kcal/mol - -analytic -1.0217e+001 7.7548e-003 -1.6285e+004 5.4711e+000 9.1931e+004 + -analytic -1.0217e+1 7.7548e-3 -1.6285e+4 5.4711e+0 9.1931e+4 # -Range: 0-300 - 2.0000 H+ + 1.0000 Sn++ + 0.5000 O2 = Sn++++ +1.0000 H2O - -llnl_gamma 11.0 - log_k +37.7020 - -delta_H -240.739 kJ/mol # Calculated enthalpy of reaction Sn+4 + 2 H+ + Sn+2 + 0.5 O2 = Sn+4 + H2O + -llnl_gamma 11 + log_k 37.702 + -delta_H -240.739 kJ/mol # Calculated enthalpy of reaction Sn+4 # Enthalpy of formation: 7.229 kcal/mol - -analytic 3.2053e+001 -9.2307e-003 1.0378e+004 -1.0666e+001 1.6193e+002 -# -Range: 0-300 - - 1.0000 Tb+++ + 0.5000 H2O = Tb++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -78.7754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tb+2 -# Enthalpy of formation: -0 kcal/mol - - 4.0000 H+ + 1.0000 TcO4- = Tc+++ +2.0000 H2O +1.0000 O2 - -llnl_gamma 5.0 - log_k -47.614 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tc+3 -# Enthalpy of formation: -0 kcal/mol - - 3.0000 H+ + 1.0000 TcO4- = TcO++ +1.5000 H2O +0.7500 O2 - -llnl_gamma 4.5 - log_k -31.5059 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcO+2 -# Enthalpy of formation: -0 kcal/mol - - 1.0000 TcO4- + 0.5000 H2O = TcO4-- +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.0 - log_k -31.8197 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcO4-2 -# Enthalpy of formation: -0 kcal/mol - - 1.0000 TcO4- + 1.0000 H2O = TcO4--- +2.0000 H+ +0.5000 O2 - -llnl_gamma 4.0 - log_k -63.2889 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcO4-3 -# Enthalpy of formation: -0 kcal/mol - - 2.0000 H+ + 1.0000 Tl+ + 0.5000 O2 = Tl+++ +1.0000 H2O - -llnl_gamma 5.0 - log_k -0.2751 - -delta_H -88.479 kJ/mol # Calculated enthalpy of reaction Tl+3 + -analytic 3.2053e+1 -9.2307e-3 1.0378e+4 -1.0666e+1 1.6193e+2 +# -Range: 0-300 + + Tb+3 + 0.5 H2O = Tb+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -78.7754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tb+2 +# Enthalpy of formation: -0 kcal/mol + + 4 H+ + TcO4- = Tc+3 + 2 H2O + O2 + -llnl_gamma 5 + log_k -47.614 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tc+3 +# Enthalpy of formation: -0 kcal/mol + + 3 H+ + TcO4- = TcO+2 + 1.5 H2O + 0.75 O2 + -llnl_gamma 4.5 + log_k -31.5059 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcO+2 +# Enthalpy of formation: -0 kcal/mol + + TcO4- + 0.5 H2O = TcO4-2 + H+ + 0.25 O2 + -llnl_gamma 4 + log_k -31.8197 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcO4-2 +# Enthalpy of formation: -0 kcal/mol + + TcO4- + H2O = TcO4-3 + 2 H+ + 0.5 O2 + -llnl_gamma 4 + log_k -63.2889 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcO4-3 +# Enthalpy of formation: -0 kcal/mol + + 2 H+ + Tl+ + 0.5 O2 = Tl+3 + H2O + -llnl_gamma 5 + log_k -0.2751 + -delta_H -88.479 kJ/mol # Calculated enthalpy of reaction Tl+3 # Enthalpy of formation: 47 kcal/mol - -analytic -6.7978e+001 -2.6430e-002 5.3106e+003 2.3340e+001 8.2887e+001 + -analytic -6.7978e+1 -2.643e-2 5.3106e+3 2.334e+1 8.2887e+1 # -Range: 0-300 - 1.0000 Tm+++ + 0.5000 H2O = Tm++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -58.3754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tm+2 + Tm+3 + 0.5 H2O = Tm+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -58.3754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tm+2 # Enthalpy of formation: -0 kcal/mol - - 1.0000 UO2++ + 1.0000 H+ = U+++ +0.7500 O2 +0.5000 H2O - -llnl_gamma 5.0 - log_k -64.8028 - -delta_H 377.881 kJ/mol # Calculated enthalpy of reaction U+3 + + UO2+2 + H+ = U+3 + 0.75 O2 + 0.5 H2O + -llnl_gamma 5 + log_k -64.8028 + -delta_H 377.881 kJ/mol # Calculated enthalpy of reaction U+3 # Enthalpy of formation: -489.1 kJ/mol - -analytic 2.5133e+001 6.4088e-003 -2.2542e+004 -8.1423e+000 3.4793e+005 + -analytic 2.5133e+1 6.4088e-3 -2.2542e+4 -8.1423e+0 3.4793e+5 # -Range: 0-300 - 2.0000 H+ + 1.0000 UO2++ = U++++ +1.0000 H2O +0.5000 O2 - -llnl_gamma 5.5 - log_k -33.9491 - -delta_H 135.895 kJ/mol # Calculated enthalpy of reaction U+4 + 2 H+ + UO2+2 = U+4 + H2O + 0.5 O2 + -llnl_gamma 5.5 + log_k -33.9491 + -delta_H 135.895 kJ/mol # Calculated enthalpy of reaction U+4 # Enthalpy of formation: -591.2 kJ/mol - -analytic 4.4837e+001 1.0129e-002 -1.1787e+004 -1.9194e+001 4.6436e+005 + -analytic 4.4837e+1 1.0129e-2 -1.1787e+4 -1.9194e+1 4.6436e+5 # -Range: 0-300 - 1.0000 UO2++ + 0.5000 H2O = UO2+ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.0 - log_k -20.0169 - -delta_H 133.759 kJ/mol # Calculated enthalpy of reaction UO2+ + UO2+2 + 0.5 H2O = UO2+ + H+ + 0.25 O2 + -llnl_gamma 4 + log_k -20.0169 + -delta_H 133.759 kJ/mol # Calculated enthalpy of reaction UO2+ # Enthalpy of formation: -1025.13 kJ/mol - -analytic 8.0480e+000 9.5845e-003 -6.5994e+003 -3.5515e+000 -1.0298e+002 + -analytic 8.048e+0 9.5845e-3 -6.5994e+3 -3.5515e+0 -1.0298e+2 # -Range: 0-300 - 1.0000 VO++ + 1.0000 H+ = V+++ +0.5000 H2O +0.2500 O2 - -llnl_gamma 5.0 - log_k -15.7191 - -delta_H 79.6069 kJ/mol # Calculated enthalpy of reaction V+3 + VO+2 + H+ = V+3 + 0.5 H2O + 0.25 O2 + -llnl_gamma 5 + log_k -15.7191 + -delta_H 79.6069 kJ/mol # Calculated enthalpy of reaction V+3 # Enthalpy of formation: -62.39 kcal/mol - -analytic 1.6167e+001 1.1963e-002 -4.2112e+003 -8.6126e+000 -6.5717e+001 + -analytic 1.6167e+1 1.1963e-2 -4.2112e+3 -8.6126e+0 -6.5717e+1 # -Range: 0-300 - 1.0000 VO++ + 0.5000 H2O + 0.2500 O2 = VO2+ +1.0000 H+ - -llnl_gamma 4.0 - log_k +4.5774 - -delta_H -17.2234 kJ/mol # Calculated enthalpy of reaction VO2+ + VO+2 + 0.5 H2O + 0.25 O2 = VO2+ + H+ + -llnl_gamma 4 + log_k 4.5774 + -delta_H -17.2234 kJ/mol # Calculated enthalpy of reaction VO2+ # Enthalpy of formation: -155.3 kcal/mol - -analytic 1.9732e+000 5.3936e-003 1.2240e+003 -1.2539e+000 1.9098e+001 + -analytic 1.9732e+0 5.3936e-3 1.224e+3 -1.2539e+0 1.9098e+1 # -Range: 0-300 - 1.0000 VO2+ + 2.0000 H2O = VO4--- +4.0000 H+ - -llnl_gamma 4.0 - log_k -28.4475 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO4-3 + VO2+ + 2 H2O = VO4-3 + 4 H+ + -llnl_gamma 4 + log_k -28.4475 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO4-3 # Enthalpy of formation: -0 kcal/mol - 1.0000 Yb+++ + 0.5000 H2O = Yb++ +1.0000 H+ +0.2500 O2 - -llnl_gamma 4.5 - log_k -39.4595 - -delta_H 280.05 kJ/mol # Calculated enthalpy of reaction Yb+2 + Yb+3 + 0.5 H2O = Yb+2 + H+ + 0.25 O2 + -llnl_gamma 4.5 + log_k -39.4595 + -delta_H 280.05 kJ/mol # Calculated enthalpy of reaction Yb+2 # Enthalpy of formation: -126.8 kcal/mol - -analytic 1.0773e+000 9.5995e-003 -1.3833e+004 1.0723e+000 3.1365e+004 + -analytic 1.0773e+0 9.5995e-3 -1.3833e+4 1.0723e+0 3.1365e+4 # -Range: 0-300 - 2.0000 H+ + 1.0000 Zr(OH)2++ = Zr++++ +2.0000 H2O - -llnl_gamma 11.0 - log_k +0.2385 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zr+4 + 2 H+ + Zr(OH)2+2 = Zr+4 + 2 H2O + -llnl_gamma 11 + log_k 0.2385 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zr+4 # Enthalpy of formation: -0 kcal/mol -4.0000 HS- + 4.0000 H+ + 2.0000 Sb(OH)3 + 2.0000 NH3 = (NH4)2Sb2S4 +6.0000 H2O - -llnl_gamma 3.0 - log_k +67.6490 - -delta_H -424.665 kJ/mol # Calculated enthalpy of reaction (NH4)2Sb2S4 +4 HS- + 4 H+ + 2 Sb(OH)3 + 2 NH3 = (NH4)2Sb2S4 + 6 H2O + -llnl_gamma 3 + log_k 67.649 + -delta_H -424.665 kJ/mol # Calculated enthalpy of reaction (NH4)2Sb2S4 # Enthalpy of formation: -484.321 kJ/mol - -analytic -3.9259e+002 -1.1727e-001 3.2073e+004 1.5667e+002 5.4478e+002 + -analytic -3.9259e+2 -1.1727e-1 3.2073e+4 1.5667e+2 5.4478e+2 # -Range: 0-200 -2.0000 NpO2++ + 2.0000 H2O = (NpO2)2(OH)2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k -6.4 - -delta_H 45.4397 kJ/mol # Calculated enthalpy of reaction (NpO2)2(OH)2+2 +2 NpO2+2 + 2 H2O = (NpO2)2(OH)2+2 + 2 H+ + -llnl_gamma 4.5 + log_k -6.4 + -delta_H 45.4397 kJ/mol # Calculated enthalpy of reaction (NpO2)2(OH)2+2 # Enthalpy of formation: -537.092 kcal/mol - -analytic -4.7462e+001 -3.1413e-002 -2.1954e+003 2.3355e+001 -3.7424e+001 + -analytic -4.7462e+1 -3.1413e-2 -2.1954e+3 2.3355e+1 -3.7424e+1 # -Range: 25-150 -5.0000 H2O + 3.0000 NpO2++ = (NpO2)3(OH)5+ +5.0000 H+ - -llnl_gamma 4.0 - log_k -17.5 - -delta_H 112.322 kJ/mol # Calculated enthalpy of reaction (NpO2)3(OH)5+ +5 H2O + 3 NpO2+2 = (NpO2)3(OH)5+ + 5 H+ + -llnl_gamma 4 + log_k -17.5 + -delta_H 112.322 kJ/mol # Calculated enthalpy of reaction (NpO2)3(OH)5+ # Enthalpy of formation: -931.717 kcal/mol - -analytic 5.4053e+002 9.1693e-002 -2.4404e+004 -2.0349e+002 -4.1639e+002 + -analytic 5.4053e+2 9.1693e-2 -2.4404e+4 -2.0349e+2 -4.1639e+2 # -Range: 25-150 -2.0000 PuO2++ + 2.0000 H2O = (PuO2)2(OH)2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k -8.2626 - -delta_H 57.8597 kJ/mol # Calculated enthalpy of reaction (PuO2)2(OH)2+2 +2 PuO2+2 + 2 H2O = (PuO2)2(OH)2+2 + 2 H+ + -llnl_gamma 4.5 + log_k -8.2626 + -delta_H 57.8597 kJ/mol # Calculated enthalpy of reaction (PuO2)2(OH)2+2 # Enthalpy of formation: -2156.97 kJ/mol - -analytic 6.5448e+001 -1.6194e-003 -5.9542e+003 -2.1522e+001 -9.2929e+001 + -analytic 6.5448e+1 -1.6194e-3 -5.9542e+3 -2.1522e+1 -9.2929e+1 # -Range: 0-300 -5.0000 H2O + 3.0000 PuO2++ = (PuO2)3(OH)5+ +5.0000 H+ - -llnl_gamma 4.0 - log_k -21.655 - -delta_H 139.617 kJ/mol # Calculated enthalpy of reaction (PuO2)3(OH)5+ +5 H2O + 3 PuO2+2 = (PuO2)3(OH)5+ + 5 H+ + -llnl_gamma 4 + log_k -21.655 + -delta_H 139.617 kJ/mol # Calculated enthalpy of reaction (PuO2)3(OH)5+ # Enthalpy of formation: -3754.31 kJ/mol - -analytic 1.6151e+002 5.8182e-003 -1.4002e+004 -5.5745e+001 -2.1854e+002 + -analytic 1.6151e+2 5.8182e-3 -1.4002e+4 -5.5745e+1 -2.1854e+2 # -Range: 0-300 -4.0000 H2O + 2.0000 TcO++ = (TcO(OH)2)2 +4.0000 H+ - -llnl_gamma 3.0 - log_k -0.1271 - -delta_H 0 # Not possible to calculate enthalpy of reaction (TcO(OH)2)2 +4 H2O + 2 TcO+2 = (TcO(OH)2)2 + 4 H+ + -llnl_gamma 3 + log_k -0.1271 + -delta_H 0 # Not possible to calculate enthalpy of reaction (TcO(OH)2)2 # Enthalpy of formation: -0 kcal/mol - -12.0000 H2O + 11.0000 UO2++ + 6.0000 HCO3- = (UO2)11(CO3)6(OH)12-2 +18.0000 H+ - -llnl_gamma 4.0 - log_k -25.7347 - -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)11(CO3)6(OH)12-2 + +12 H2O + 11 UO2+2 + 6 HCO3- = (UO2)11(CO3)6(OH)12-2 + 18 H+ + -llnl_gamma 4 + log_k -25.7347 + -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)11(CO3)6(OH)12-2 # Enthalpy of formation: -0 kcal/mol - -2.0000 UO2++ + 2.0000 H2O = (UO2)2(OH)2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k -5.6346 - -delta_H 37.6127 kJ/mol # Calculated enthalpy of reaction (UO2)2(OH)2+2 + +2 UO2+2 + 2 H2O = (UO2)2(OH)2+2 + 2 H+ + -llnl_gamma 4.5 + log_k -5.6346 + -delta_H 37.6127 kJ/mol # Calculated enthalpy of reaction (UO2)2(OH)2+2 # Enthalpy of formation: -2572.06 kJ/mol - -analytic 6.4509e+001 -7.6875e-004 -4.8433e+003 -2.1689e+001 -7.5593e+001 + -analytic 6.4509e+1 -7.6875e-4 -4.8433e+3 -2.1689e+1 -7.5593e+1 # -Range: 0-300 -3.0000 H2O + 2.0000 UO2++ + 1.0000 HCO3- = (UO2)2CO3(OH)3- +4.0000 H+ - -llnl_gamma 4.0 - log_k -11.2229 - -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)2CO3(OH)3- +3 H2O + 2 UO2+2 + HCO3- = (UO2)2CO3(OH)3- + 4 H+ + -llnl_gamma 4 + log_k -11.2229 + -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)2CO3(OH)3- # Enthalpy of formation: -0 kcal/mol - -2.0000 UO2++ + 1.0000 H2O = (UO2)2OH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -2.7072 - -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)2OH+3 + +2 UO2+2 + H2O = (UO2)2OH+3 + H+ + -llnl_gamma 5 + log_k -2.7072 + -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)2OH+3 # Enthalpy of formation: -0 kcal/mol - -6.0000 HCO3- + 3.0000 UO2++ = (UO2)3(CO3)6-6 +6.0000 H+ - -llnl_gamma 4.0 - log_k -8.0601 - -delta_H 25.5204 kJ/mol # Calculated enthalpy of reaction (UO2)3(CO3)6-6 + +6 HCO3- + 3 UO2+2 = (UO2)3(CO3)6-6 + 6 H+ + -llnl_gamma 4 + log_k -8.0601 + -delta_H 25.5204 kJ/mol # Calculated enthalpy of reaction (UO2)3(CO3)6-6 # Enthalpy of formation: -7171.08 kJ/mol - -analytic 7.4044e+002 2.7299e-001 -1.7614e+004 -3.1149e+002 -2.7507e+002 + -analytic 7.4044e+2 2.7299e-1 -1.7614e+4 -3.1149e+2 -2.7507e+2 # -Range: 0-300 -4.0000 H2O + 3.0000 UO2++ = (UO2)3(OH)4++ +4.0000 H+ - -llnl_gamma 4.5 - log_k -11.929 - -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)4+2 +4 H2O + 3 UO2+2 = (UO2)3(OH)4+2 + 4 H+ + -llnl_gamma 4.5 + log_k -11.929 + -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)4+2 # Enthalpy of formation: -0 kcal/mol - -5.0000 H2O + 3.0000 UO2++ = (UO2)3(OH)5+ +5.0000 H+ - -llnl_gamma 4.0 - log_k -15.5862 - -delta_H 97.1056 kJ/mol # Calculated enthalpy of reaction (UO2)3(OH)5+ + +5 H2O + 3 UO2+2 = (UO2)3(OH)5+ + 5 H+ + -llnl_gamma 4 + log_k -15.5862 + -delta_H 97.1056 kJ/mol # Calculated enthalpy of reaction (UO2)3(OH)5+ # Enthalpy of formation: -4389.09 kJ/mol - -analytic 1.6004e+002 7.0827e-003 -1.1700e+004 -5.5973e+001 -1.8261e+002 -# -Range: 0-300 - -4.0000 H2O + 3.0000 UO2++ + 1.0000 HCO3- = (UO2)3(OH)5CO2+ +4.0000 H+ - -llnl_gamma 4.0 - log_k -9.6194 - -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)5CO2+ -# Enthalpy of formation: -0 kcal/mol - -7.0000 H2O + 3.0000 UO2++ = (UO2)3(OH)7- +7.0000 H+ - -llnl_gamma 4.0 - log_k -31.0508 - -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)7- -# Enthalpy of formation: -0 kcal/mol - -3.0000 UO2++ + 3.0000 H2O + 1.0000 HCO3- = (UO2)3O(OH)2(HCO3)+ +4.0000 H+ - -llnl_gamma 4.0 - log_k -9.7129 - -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3O(OH)2(HCO3)+ -# Enthalpy of formation: -0 kcal/mol - -7.0000 H2O + 4.0000 UO2++ = (UO2)4(OH)7+ +7.0000 H+ - -llnl_gamma 4.0 - log_k -21.9508 - -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)4(OH)7+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 VO++ + 2.0000 H2O = (VO)2(OH)2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k -6.67 - -delta_H 0 # Not possible to calculate enthalpy of reaction (VO)2(OH)2+2 -# Enthalpy of formation: -0 kcal/mol - -HAcetate = Acetate- + H+ - -llnl_gamma 4.5 - log_k -4.7572 - -delta_H 0 # Not possible to calculate enthalpy of reaction Acetate- -# Enthalpy of formation: -0 kcal/mol - -analytic -0.96597E+02 -0.34535E-01 0.19753E+04 0.38593E+02 0.30850E+02 + -analytic 1.6004e+2 7.0827e-3 -1.17e+4 -5.5973e+1 -1.8261e+2 +# -Range: 0-300 + +4 H2O + 3 UO2+2 + HCO3- = (UO2)3(OH)5CO2+ + 4 H+ + -llnl_gamma 4 + log_k -9.6194 + -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)5CO2+ +# Enthalpy of formation: -0 kcal/mol + +7 H2O + 3 UO2+2 = (UO2)3(OH)7- + 7 H+ + -llnl_gamma 4 + log_k -31.0508 + -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3(OH)7- +# Enthalpy of formation: -0 kcal/mol + +3 UO2+2 + 3 H2O + HCO3- = (UO2)3O(OH)2(HCO3)+ + 4 H+ + -llnl_gamma 4 + log_k -9.7129 + -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)3O(OH)2(HCO3)+ +# Enthalpy of formation: -0 kcal/mol + +7 H2O + 4 UO2+2 = (UO2)4(OH)7+ + 7 H+ + -llnl_gamma 4 + log_k -21.9508 + -delta_H 0 # Not possible to calculate enthalpy of reaction (UO2)4(OH)7+ +# Enthalpy of formation: -0 kcal/mol + +2 VO+2 + 2 H2O = (VO)2(OH)2+2 + 2 H+ + -llnl_gamma 4.5 + log_k -6.67 + -delta_H 0 # Not possible to calculate enthalpy of reaction (VO)2(OH)2+2 +# Enthalpy of formation: -0 kcal/mol + +HAcetate = Acetate- + H+ + -llnl_gamma 4.5 + log_k -4.7572 + -delta_H 0 # Not possible to calculate enthalpy of reaction Acetate- +# Enthalpy of formation: -0 kcal/mol + -analytic -0.96597E+2 -0.34535E-1 0.19753E+4 0.38593E+2 0.3085E+2 # Range: 0-300 -2.0000 HAcetate + 1.0000 Ag+ = Ag(Acetate)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -8.8716 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ag(Acetate)2- +2 HAcetate + Ag+ = Ag(Acetate)2- + 2 H+ + -llnl_gamma 4 + log_k -8.8716 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ag(Acetate)2- # Enthalpy of formation: -0 kcal/mol - -analytic -2.8207e+002 -5.3713e-002 9.5343e+003 1.0396e+002 1.4886e+002 + -analytic -2.8207e+2 -5.3713e-2 9.5343e+3 1.0396e+2 1.4886e+2 # -Range: 0-300 -2.0000 HCO3- + 1.0000 Ag+ = Ag(CO3)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -18.5062 - -delta_H 1.34306 kJ/mol # Calculated enthalpy of reaction Ag(CO3)2-3 +2 HCO3- + Ag+ = Ag(CO3)2-3 + 2 H+ + -llnl_gamma 4 + log_k -18.5062 + -delta_H 1.34306 kJ/mol # Calculated enthalpy of reaction Ag(CO3)2-3 # Enthalpy of formation: -304.2 kcal/mol - -analytic -1.6671e+002 -4.5571e-002 3.7190e+003 6.0341e+001 5.8080e+001 + -analytic -1.6671e+2 -4.5571e-2 3.719e+3 6.0341e+1 5.808e+1 # -Range: 0-300 -1.0000 Ag+ + 1.0000 HAcetate = AgAcetate +1.0000 H+ - -llnl_gamma 3.0 - log_k -4.0264 - -delta_H -3.4518 kJ/mol # Calculated enthalpy of reaction AgAcetate +Ag+ + HAcetate = AgAcetate + H+ + -llnl_gamma 3 + log_k -4.0264 + -delta_H -3.4518 kJ/mol # Calculated enthalpy of reaction AgAcetate # Enthalpy of formation: -91.65 kcal/mol - -analytic 6.9069e+000 -1.9415e-003 -1.9953e+003 -2.6175e+000 2.5092e+005 + -analytic 6.9069e+0 -1.9415e-3 -1.9953e+3 -2.6175e+0 2.5092e+5 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Ag+ = AgCO3- +1.0000 H+ - -llnl_gamma 4.0 - log_k -7.6416 - -delta_H -8.27177 kJ/mol # Calculated enthalpy of reaction AgCO3- +HCO3- + Ag+ = AgCO3- + H+ + -llnl_gamma 4 + log_k -7.6416 + -delta_H -8.27177 kJ/mol # Calculated enthalpy of reaction AgCO3- # Enthalpy of formation: -141.6 kcal/mol - -analytic 6.5598e+000 -1.6477e-004 -4.7079e+002 -5.0807e+000 -7.3484e+000 + -analytic 6.5598e+0 -1.6477e-4 -4.7079e+2 -5.0807e+0 -7.3484e+0 # -Range: 0-300 -1.0000 Cl- + 1.0000 Ag+ = AgCl - -llnl_gamma 3.0 - log_k +3.2971 - -delta_H -15.1126 kJ/mol # Calculated enthalpy of reaction AgCl +Cl- + Ag+ = AgCl + -llnl_gamma 3 + log_k 3.2971 + -delta_H -15.1126 kJ/mol # Calculated enthalpy of reaction AgCl # Enthalpy of formation: -18.27 kcal/mol - -analytic 1.0904e+002 3.5492e-002 -1.8455e+003 -4.4502e+001 -2.8830e+001 + -analytic 1.0904e+2 3.5492e-2 -1.8455e+3 -4.4502e+1 -2.883e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Ag+ = AgCl2- - -llnl_gamma 4.0 - log_k +5.2989 - -delta_H -27.3592 kJ/mol # Calculated enthalpy of reaction AgCl2- +2 Cl- + Ag+ = AgCl2- + -llnl_gamma 4 + log_k 5.2989 + -delta_H -27.3592 kJ/mol # Calculated enthalpy of reaction AgCl2- # Enthalpy of formation: -61.13 kcal/mol - -analytic 9.2164e+001 4.0261e-002 -1.6597e+002 -3.9721e+001 -2.6171e+000 + -analytic 9.2164e+1 4.0261e-2 -1.6597e+2 -3.9721e+1 -2.6171e+0 # -Range: 0-300 -3.0000 Cl- + 1.0000 Ag+ = AgCl3-- - -llnl_gamma 4.0 - log_k +5.1310 - -delta_H -47.7645 kJ/mol # Calculated enthalpy of reaction AgCl3-2 +3 Cl- + Ag+ = AgCl3-2 + -llnl_gamma 4 + log_k 5.131 + -delta_H -47.7645 kJ/mol # Calculated enthalpy of reaction AgCl3-2 # Enthalpy of formation: -105.94 kcal/mol - -analytic 4.3732e+000 2.9568e-002 3.9818e+003 -8.6428e+000 6.2131e+001 + -analytic 4.3732e+0 2.9568e-2 3.9818e+3 -8.6428e+0 6.2131e+1 # -Range: 0-300 -4.0000 Cl- + 1.0000 Ag+ = AgCl4--- - -llnl_gamma 4.0 - log_k +3.8050 - -delta_H -32.4804 kJ/mol # Calculated enthalpy of reaction AgCl4-3 +4 Cl- + Ag+ = AgCl4-3 + -llnl_gamma 4 + log_k 3.805 + -delta_H -32.4804 kJ/mol # Calculated enthalpy of reaction AgCl4-3 # Enthalpy of formation: -142.22 kcal/mol - -analytic -1.6176e+001 2.9523e-002 0.0000e+000 0.0000e+000 9.9602e+005 + -analytic -1.6176e+1 2.9523e-2 0e+0 0e+0 9.9602e+5 # -Range: 0-300 -1.0000 F- + 1.0000 Ag+ = AgF - -llnl_gamma 3.0 - log_k -0.1668 - -delta_H -9.298 kJ/mol # Calculated enthalpy of reaction AgF +F- + Ag+ = AgF + -llnl_gamma 3 + log_k -0.1668 + -delta_H -9.298 kJ/mol # Calculated enthalpy of reaction AgF # Enthalpy of formation: -238.895 kJ/mol - -analytic -6.6024e+001 -2.2350e-002 1.9514e+003 2.6663e+001 3.3160e+001 + -analytic -6.6024e+1 -2.235e-2 1.9514e+3 2.6663e+1 3.316e+1 # -Range: 0-200 -1.0000 NO3- + 1.0000 Ag+ = AgNO3 - -llnl_gamma 3.0 - log_k -0.1979 - -delta_H 4.45178 kJ/mol # Calculated enthalpy of reaction AgNO3 +NO3- + Ag+ = AgNO3 + -llnl_gamma 3 + log_k -0.1979 + -delta_H 4.45178 kJ/mol # Calculated enthalpy of reaction AgNO3 # Enthalpy of formation: -23.09 kcal/mol - -analytic 7.3866e+001 2.6050e-002 -1.5923e+003 -3.0904e+001 -2.4868e+001 + -analytic 7.3866e+1 2.605e-2 -1.5923e+3 -3.0904e+1 -2.4868e+1 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Al+++ = Al(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -5.595 - -delta_H -46.8566 kJ/mol # Calculated enthalpy of reaction Al(Acetate)2+ +2 HAcetate + Al+3 = Al(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -5.595 + -delta_H -46.8566 kJ/mol # Calculated enthalpy of reaction Al(Acetate)2+ # Enthalpy of formation: -372.08 kcal/mol - -analytic -4.2528e+001 2.1431e-003 3.1658e+002 1.1585e+001 5.8604e+005 + -analytic -4.2528e+1 2.1431e-3 3.1658e+2 1.1585e+1 5.8604e+5 # -Range: 0-300 -2.0000 H2O + 1.0000 Al+++ = Al(OH)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -10.5945 - -delta_H 98.2822 kJ/mol # Calculated enthalpy of reaction Al(OH)2+ +2 H2O + Al+3 = Al(OH)2+ + 2 H+ + -llnl_gamma 4 + log_k -10.5945 + -delta_H 98.2822 kJ/mol # Calculated enthalpy of reaction Al(OH)2+ # Enthalpy of formation: -241.825 kcal/mol - -analytic 4.4036e+001 2.0168e-002 -5.5455e+003 -1.6987e+001 -8.6545e+001 -# -Range: 0-300 - -2.0000 SO4-- + 1.0000 Al+++ = Al(SO4)2- - -llnl_gamma 4.0 - log_k +4.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Al(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -28.0000 H2O + 13.0000 Al+++ = Al13O4(OH)24+7 +32.0000 H+ - -llnl_gamma 6.0 - log_k -98.73 - -delta_H 0 # Not possible to calculate enthalpy of reaction Al13O4(OH)24+7 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 2.0000 Al+++ = Al2(OH)2++++ +2.0000 H+ - -llnl_gamma 5.5 - log_k -7.6902 - -delta_H 0 # Not possible to calculate enthalpy of reaction Al2(OH)2+4 -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 3.0000 Al+++ = Al3(OH)4+5 +4.0000 H+ - -llnl_gamma 6.0 - log_k -13.8803 - -delta_H 0 # Not possible to calculate enthalpy of reaction Al3(OH)4+5 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Al+++ + 1.0000 HAcetate = AlAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.6923 - -delta_H -18.1962 kJ/mol # Calculated enthalpy of reaction AlAcetate+2 + -analytic 4.4036e+1 2.0168e-2 -5.5455e+3 -1.6987e+1 -8.6545e+1 +# -Range: 0-300 + +2 SO4-2 + Al+3 = Al(SO4)2- + -llnl_gamma 4 + log_k 4.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Al(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +28 H2O + 13 Al+3 = Al13O4(OH)24+7 + 32 H+ + -llnl_gamma 6 + log_k -98.73 + -delta_H 0 # Not possible to calculate enthalpy of reaction Al13O4(OH)24+7 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + 2 Al+3 = Al2(OH)2+4 + 2 H+ + -llnl_gamma 5.5 + log_k -7.6902 + -delta_H 0 # Not possible to calculate enthalpy of reaction Al2(OH)2+4 +# Enthalpy of formation: -0 kcal/mol + +4 H2O + 3 Al+3 = Al3(OH)4+5 + 4 H+ + -llnl_gamma 6 + log_k -13.8803 + -delta_H 0 # Not possible to calculate enthalpy of reaction Al3(OH)4+5 +# Enthalpy of formation: -0 kcal/mol + +Al+3 + HAcetate = AlAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.6923 + -delta_H -18.1962 kJ/mol # Calculated enthalpy of reaction AlAcetate+2 # Enthalpy of formation: -249.13 kcal/mol - -analytic -1.9847e+001 2.0058e-003 -2.3653e+002 5.5454e+000 3.2362e+005 -# -Range: 0-300 - -1.0000 F- + 1.0000 Al+++ = AlF++ - -llnl_gamma 4.5 - log_k +7.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction AlF+2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 F- + 1.0000 Al+++ = AlF2+ - -llnl_gamma 4.0 - log_k +12.6000 - -delta_H 0 # Not possible to calculate enthalpy of reaction AlF2+ -# Enthalpy of formation: -0 kcal/mol - -3.0000 F- + 1.0000 Al+++ = AlF3 - -llnl_gamma 3.0 - log_k +16.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction AlF3 -# Enthalpy of formation: -0 kcal/mol - -4.0000 F- + 1.0000 Al+++ = AlF4- - -llnl_gamma 4.0 - log_k +19.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction AlF4- -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Al+++ = AlH2PO4++ - -llnl_gamma 4.5 - log_k +3.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction AlH2PO4+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 Al+++ = AlHPO4+ - -llnl_gamma 4.0 - log_k +7.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction AlHPO4+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Al+++ = AlO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -22.8833 - -delta_H 180.899 kJ/mol # Calculated enthalpy of reaction AlO2- + -analytic -1.9847e+1 2.0058e-3 -2.3653e+2 5.5454e+0 3.2362e+5 +# -Range: 0-300 + +F- + Al+3 = AlF+2 + -llnl_gamma 4.5 + log_k 7 + -delta_H 0 # Not possible to calculate enthalpy of reaction AlF+2 +# Enthalpy of formation: -0 kcal/mol + +2 F- + Al+3 = AlF2+ + -llnl_gamma 4 + log_k 12.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction AlF2+ +# Enthalpy of formation: -0 kcal/mol + +3 F- + Al+3 = AlF3 + -llnl_gamma 3 + log_k 16.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction AlF3 +# Enthalpy of formation: -0 kcal/mol + +4 F- + Al+3 = AlF4- + -llnl_gamma 4 + log_k 19.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction AlF4- +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + H+ + Al+3 = AlH2PO4+2 + -llnl_gamma 4.5 + log_k 3.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction AlH2PO4+2 +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + Al+3 = AlHPO4+ + -llnl_gamma 4 + log_k 7.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction AlHPO4+ +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Al+3 = AlO2- + 4 H+ + -llnl_gamma 4 + log_k -22.8833 + -delta_H 180.899 kJ/mol # Calculated enthalpy of reaction AlO2- # Enthalpy of formation: -222.079 kcal/mol - -analytic 1.0803e+001 -3.4379e-003 -9.7391e+003 0.0000e+000 0.0000e+000 + -analytic 1.0803e+1 -3.4379e-3 -9.7391e+3 0e+0 0e+0 # -Range: 0-300 -1.0000 H2O + 1.0000 Al+++ = AlOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -4.9571 - -delta_H 49.798 kJ/mol # Calculated enthalpy of reaction AlOH+2 +H2O + Al+3 = AlOH+2 + H+ + -llnl_gamma 4.5 + log_k -4.9571 + -delta_H 49.798 kJ/mol # Calculated enthalpy of reaction AlOH+2 # Enthalpy of formation: -185.096 kcal/mol - -analytic -2.6224e-001 8.8816e-003 -1.8686e+003 -4.3195e-001 -2.9158e+001 -# -Range: 0-300 - -1.0000 SO4-- + 1.0000 Al+++ = AlSO4+ - -llnl_gamma 4.0 - log_k +3.0100 - -delta_H 0 # Not possible to calculate enthalpy of reaction AlSO4+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HCO3- + 1.0000 Am+++ = Am(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -8.3868 - -delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -3.0000 HCO3- + 1.0000 Am+++ = Am(CO3)3--- +3.0000 H+ - -llnl_gamma 4.0 - log_k -15.8302 - -delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)3-3 -# Enthalpy of formation: -0 kcal/mol - -5.0000 HCO3- + 1.0000 Am++++ = Am(CO3)5-6 +5.0000 H+ - -llnl_gamma 4.0 - log_k -12.409 - -delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)5-6 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Am+++ = Am(OH)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -14.1145 - -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)2+ -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Am+++ = Am(OH)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -25.7218 - -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Am+++ = Am(SO4)2- - -llnl_gamma 4.0 - log_k +5.2407 - -delta_H 0 # Not possible to calculate enthalpy of reaction Am(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 HCO3- + 1.0000 Am+++ = AmCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.5434 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmCO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Cl- + 1.0000 Am+++ = AmCl++ - -llnl_gamma 4.5 - log_k +1.0374 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmCl+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 F- + 1.0000 Am+++ = AmF++ - -llnl_gamma 4.5 - log_k +3.3601 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmF+2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 F- + 1.0000 Am+++ = AmF2+ - -llnl_gamma 4.0 - log_k +5.7204 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmF2+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Am+++ = AmH2PO4++ - -llnl_gamma 4.5 - log_k +11.4119 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmH2PO4+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 N3- + 1.0000 Am+++ = AmN3++ - -llnl_gamma 4.5 - log_k +1.6699 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmN3+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 Am+++ = AmNO3++ - -llnl_gamma 4.5 - log_k +1.3104 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmNO3+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Am+++ = AmOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -6.4072 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmOH+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Am+++ = AmSO4+ - -llnl_gamma 4.0 - log_k +3.7703 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmSO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 H2AsO3- + 1.0000 H+ = As(OH)3 - -llnl_gamma 3.0 - log_k +9.2048 - -delta_H -27.4054 kJ/mol # Calculated enthalpy of reaction As(OH)3 + -analytic -2.6224e-1 8.8816e-3 -1.8686e+3 -4.3195e-1 -2.9158e+1 +# -Range: 0-300 + +SO4-2 + Al+3 = AlSO4+ + -llnl_gamma 4 + log_k 3.01 + -delta_H 0 # Not possible to calculate enthalpy of reaction AlSO4+ +# Enthalpy of formation: -0 kcal/mol + +2 HCO3- + Am+3 = Am(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -8.3868 + -delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +3 HCO3- + Am+3 = Am(CO3)3-3 + 3 H+ + -llnl_gamma 4 + log_k -15.8302 + -delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)3-3 +# Enthalpy of formation: -0 kcal/mol + +5 HCO3- + Am+4 = Am(CO3)5-6 + 5 H+ + -llnl_gamma 4 + log_k -12.409 + -delta_H 0 # Not possible to calculate enthalpy of reaction Am(CO3)5-6 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Am+3 = Am(OH)2+ + 2 H+ + -llnl_gamma 4 + log_k -14.1145 + -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)2+ +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Am+3 = Am(OH)3 + 3 H+ + -llnl_gamma 3 + log_k -25.7218 + -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Am+3 = Am(SO4)2- + -llnl_gamma 4 + log_k 5.2407 + -delta_H 0 # Not possible to calculate enthalpy of reaction Am(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +HCO3- + Am+3 = AmCO3+ + H+ + -llnl_gamma 4 + log_k -2.5434 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmCO3+ +# Enthalpy of formation: -0 kcal/mol + +Cl- + Am+3 = AmCl+2 + -llnl_gamma 4.5 + log_k 1.0374 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmCl+2 +# Enthalpy of formation: -0 kcal/mol + +F- + Am+3 = AmF+2 + -llnl_gamma 4.5 + log_k 3.3601 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmF+2 +# Enthalpy of formation: -0 kcal/mol + +2 F- + Am+3 = AmF2+ + -llnl_gamma 4 + log_k 5.7204 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmF2+ +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + H+ + Am+3 = AmH2PO4+2 + -llnl_gamma 4.5 + log_k 11.4119 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmH2PO4+2 +# Enthalpy of formation: -0 kcal/mol + +N3- + Am+3 = AmN3+2 + -llnl_gamma 4.5 + log_k 1.6699 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmN3+2 +# Enthalpy of formation: -0 kcal/mol + +NO3- + Am+3 = AmNO3+2 + -llnl_gamma 4.5 + log_k 1.3104 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmNO3+2 +# Enthalpy of formation: -0 kcal/mol + +H2O + Am+3 = AmOH+2 + H+ + -llnl_gamma 4.5 + log_k -6.4072 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmOH+2 +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Am+3 = AmSO4+ + -llnl_gamma 4 + log_k 3.7703 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmSO4+ +# Enthalpy of formation: -0 kcal/mol + +H2AsO3- + H+ = As(OH)3 + -llnl_gamma 3 + log_k 9.2048 + -delta_H -27.4054 kJ/mol # Calculated enthalpy of reaction As(OH)3 # Enthalpy of formation: -742.2 kJ/mol - -analytic 1.3020e+002 4.7513e-002 -1.1999e+003 -5.2993e+001 -2.0422e+001 + -analytic 1.302e+2 4.7513e-2 -1.1999e+3 -5.2993e+1 -2.0422e+1 # -Range: 0-200 -1.0000 H2AsO3- = AsO2- +1.0000 H2O - -llnl_gamma 4.0 - log_k 0.0111 - -delta_H 0 # Not possible to calculate enthalpy of reaction AsO2- +H2AsO3- = AsO2- + H2O + -llnl_gamma 4 + log_k 0.0111 + -delta_H 0 # Not possible to calculate enthalpy of reaction AsO2- # Enthalpy of formation: -0 kcal/mol - -analytic -2.1509e+001 -1.7680e-002 -1.9261e+001 1.0841e+001 -2.9404e-001 + -analytic -2.1509e+1 -1.768e-2 -1.9261e+1 1.0841e+1 -2.9404e-1 # -Range: 0-300 -1.0000 H2AsO3- = AsO2OH-- +1.0000 H+ - -llnl_gamma 4.0 - log_k -11.0171 - -delta_H 25.514 kJ/mol # Calculated enthalpy of reaction AsO2OH-2 +H2AsO3- = AsO2OH-2 + H+ + -llnl_gamma 4 + log_k -11.0171 + -delta_H 25.514 kJ/mol # Calculated enthalpy of reaction AsO2OH-2 # Enthalpy of formation: -164.742 kcal/mol - -analytic 1.4309e+002 1.8620e-002 -6.8596e+003 -5.5222e+001 -1.0708e+002 + -analytic 1.4309e+2 1.862e-2 -6.8596e+3 -5.5222e+1 -1.0708e+2 # -Range: 0-300 -1.0000 H2AsO4- + 1.0000 F- = AsO3F-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +40.2451 - -delta_H 0 # Not possible to calculate enthalpy of reaction AsO3F-2 +H2AsO4- + F- = AsO3F-2 + H2O + -llnl_gamma 4 + log_k 40.2451 + -delta_H 0 # Not possible to calculate enthalpy of reaction AsO3F-2 # Enthalpy of formation: -0 kcal/mol - -1.0000 H2AsO4- = AsO4--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -18.3604 - -delta_H 21.4198 kJ/mol # Calculated enthalpy of reaction AsO4-3 + +H2AsO4- = AsO4-3 + 2 H+ + -llnl_gamma 4 + log_k -18.3604 + -delta_H 21.4198 kJ/mol # Calculated enthalpy of reaction AsO4-3 # Enthalpy of formation: -888.14 kJ/mol - -analytic -2.4979e+001 -1.2761e-002 2.8369e+003 3.4878e+000 -6.8736e+005 + -analytic -2.4979e+1 -1.2761e-2 2.8369e+3 3.4878e+0 -6.8736e+5 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Au+ = Au(Acetate)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -9.0013 - -delta_H -8.91192 kJ/mol # Calculated enthalpy of reaction Au(Acetate)2- +2 HAcetate + Au+ = Au(Acetate)2- + 2 H+ + -llnl_gamma 4 + log_k -9.0013 + -delta_H -8.91192 kJ/mol # Calculated enthalpy of reaction Au(Acetate)2- # Enthalpy of formation: -186.75 kcal/mol - -analytic -2.2338e+002 -4.6312e-002 7.0942e+003 8.2606e+001 1.1076e+002 + -analytic -2.2338e+2 -4.6312e-2 7.0942e+3 8.2606e+1 1.1076e+2 # -Range: 0-300 -1.0000 Au+ + 1.0000 HAcetate = AuAcetate +1.0000 H+ - -llnl_gamma 3.0 - log_k -4.3174 - -delta_H 0.87864 kJ/mol # Calculated enthalpy of reaction AuAcetate +Au+ + HAcetate = AuAcetate + H+ + -llnl_gamma 3 + log_k -4.3174 + -delta_H 0.87864 kJ/mol # Calculated enthalpy of reaction AuAcetate # Enthalpy of formation: -68.31 kcal/mol - -analytic -1.1812e+000 -4.1120e-003 -1.4752e+003 4.5665e-001 1.7019e+005 + -analytic -1.1812e+0 -4.112e-3 -1.4752e+3 4.5665e-1 1.7019e+5 # -Range: 0-300 -2.0000 B(OH)3 = B2O(OH)5- +1.0000 H+ - -llnl_gamma 4.0 - log_k -18.6851 - -delta_H 0 # Not possible to calculate enthalpy of reaction B2O(OH)5- +2 B(OH)3 = B2O(OH)5- + H+ + -llnl_gamma 4 + log_k -18.6851 + -delta_H 0 # Not possible to calculate enthalpy of reaction B2O(OH)5- # Enthalpy of formation: -0 kcal/mol - -2.0000 F- + 1.0000 H+ + 1.0000 B(OH)3 = BF2(OH)2- +1.0000 H2O - -llnl_gamma 4.0 - log_k +6.6174 - -delta_H 0 # Not possible to calculate enthalpy of reaction BF2(OH)2- + +2 F- + H+ + B(OH)3 = BF2(OH)2- + H2O + -llnl_gamma 4 + log_k 6.6174 + -delta_H 0 # Not possible to calculate enthalpy of reaction BF2(OH)2- # Enthalpy of formation: -0 kcal/mol - -3.0000 F- + 2.0000 H+ + 1.0000 B(OH)3 = BF3OH- +2.0000 H2O - -llnl_gamma 4.0 - log_k +13.1908 - -delta_H -178.577 kJ/mol # Calculated enthalpy of reaction BF3OH- + +3 F- + 2 H+ + B(OH)3 = BF3OH- + 2 H2O + -llnl_gamma 4 + log_k 13.1908 + -delta_H -178.577 kJ/mol # Calculated enthalpy of reaction BF3OH- # Enthalpy of formation: -403.317 kcal/mol - -analytic 3.3411e+002 -3.7303e-002 -8.6507e+003 -1.1345e+002 -1.3508e+002 + -analytic 3.3411e+2 -3.7303e-2 -8.6507e+3 -1.1345e+2 -1.3508e+2 # -Range: 0-300 -4.0000 F- + 3.0000 H+ + 1.0000 B(OH)3 = BF4- +3.0000 H2O - -llnl_gamma 4.0 - log_k +18.0049 - -delta_H -16.4473 kJ/mol # Calculated enthalpy of reaction BF4- +4 F- + 3 H+ + B(OH)3 = BF4- + 3 H2O + -llnl_gamma 4 + log_k 18.0049 + -delta_H -16.4473 kJ/mol # Calculated enthalpy of reaction BF4- # Enthalpy of formation: -376.4 kcal/mol - -analytic 2.5491e+002 1.0443e-001 -3.3332e+003 -1.0378e+002 -5.2087e+001 + -analytic 2.5491e+2 1.0443e-1 -3.3332e+3 -1.0378e+2 -5.2087e+1 # -Range: 0-300 -1.0000 B(OH)3 = BO2- +1.0000 H+ +1.0000 H2O - -llnl_gamma 4.0 - log_k -9.2449 - -delta_H 16.3302 kJ/mol # Calculated enthalpy of reaction BO2- +B(OH)3 = BO2- + H+ + H2O + -llnl_gamma 4 + log_k -9.2449 + -delta_H 16.3302 kJ/mol # Calculated enthalpy of reaction BO2- # Enthalpy of formation: -184.6 kcal/mol - -analytic -1.0500e+002 -3.3447e-002 1.4706e+003 4.0724e+001 2.2978e+001 + -analytic -1.05e+2 -3.3447e-2 1.4706e+3 4.0724e+1 2.2978e+1 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Ba++ = Ba(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -8.0118 - -delta_H 11.255 kJ/mol # Calculated enthalpy of reaction Ba(Acetate)2 +2 HAcetate + Ba+2 = Ba(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -8.0118 + -delta_H 11.255 kJ/mol # Calculated enthalpy of reaction Ba(Acetate)2 # Enthalpy of formation: -358.01 kcal/mol - -analytic -1.4566e+001 3.1394e-004 -3.9564e+003 5.1906e+000 6.1407e+005 + -analytic -1.4566e+1 3.1394e-4 -3.9564e+3 5.1906e+0 6.1407e+5 # -Range: 0-300 -1.0000 O_phthalate-2 + 1.0000 Ba++ = Ba(O_phthalate) - -llnl_gamma 3.0 - log_k +2.3300 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ba(O_phthalate) +O_phthalate-2 + Ba+2 = Ba(O_phthalate) + -llnl_gamma 3 + log_k 2.33 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ba(O_phthalate) # Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Ba++ + 1.0000 B(OH)3 = BaB(OH)4+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -7.8012 - -delta_H 0 # Not possible to calculate enthalpy of reaction BaB(OH)4+ + +H2O + Ba+2 + B(OH)3 = BaB(OH)4+ + H+ + -llnl_gamma 4 + log_k -7.8012 + -delta_H 0 # Not possible to calculate enthalpy of reaction BaB(OH)4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Ba++ + 1.0000 HAcetate = BaAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.7677 - -delta_H 7.322 kJ/mol # Calculated enthalpy of reaction BaAcetate+ + +Ba+2 + HAcetate = BaAcetate+ + H+ + -llnl_gamma 4 + log_k -3.7677 + -delta_H 7.322 kJ/mol # Calculated enthalpy of reaction BaAcetate+ # Enthalpy of formation: -242.85 kcal/mol - -analytic -1.5623e+001 2.9282e-003 -3.9534e+002 4.3959e+000 1.2829e+005 + -analytic -1.5623e+1 2.9282e-3 -3.9534e+2 4.3959e+0 1.2829e+5 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Ba++ = BaCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -7.6834 - -delta_H 31.5808 kJ/mol # Calculated enthalpy of reaction BaCO3 +HCO3- + Ba+2 = BaCO3 + H+ + -llnl_gamma 3 + log_k -7.6834 + -delta_H 31.5808 kJ/mol # Calculated enthalpy of reaction BaCO3 # Enthalpy of formation: -285.85 kcal/mol - -analytic 2.1878e+002 5.2368e-002 -8.2472e+003 -8.6644e+001 -1.2875e+002 + -analytic 2.1878e+2 5.2368e-2 -8.2472e+3 -8.6644e+1 -1.2875e+2 # -Range: 0-300 -1.0000 Cl- + 1.0000 Ba++ = BaCl+ - -llnl_gamma 4.0 - log_k -0.4977 - -delta_H 11.142 kJ/mol # Calculated enthalpy of reaction BaCl+ +Cl- + Ba+2 = BaCl+ + -llnl_gamma 4 + log_k -0.4977 + -delta_H 11.142 kJ/mol # Calculated enthalpy of reaction BaCl+ # Enthalpy of formation: -165.77 kcal/mol - -analytic 1.1016e+002 4.2325e-002 -2.8039e+003 -4.6010e+001 -4.3785e+001 + -analytic 1.1016e+2 4.2325e-2 -2.8039e+3 -4.601e+1 -4.3785e+1 # -Range: 0-300 -1.0000 F- + 1.0000 Ba++ = BaF+ - -llnl_gamma 4.0 - log_k -0.1833 - -delta_H 8.95376 kJ/mol # Calculated enthalpy of reaction BaF+ +F- + Ba+2 = BaF+ + -llnl_gamma 4 + log_k -0.1833 + -delta_H 8.95376 kJ/mol # Calculated enthalpy of reaction BaF+ # Enthalpy of formation: -206.51 kcal/mol - -analytic 1.0349e+002 4.0336e-002 -2.5195e+003 -4.3334e+001 -3.9346e+001 + -analytic 1.0349e+2 4.0336e-2 -2.5195e+3 -4.3334e+1 -3.9346e+1 # -Range: 0-300 -1.0000 NO3- + 1.0000 Ba++ = BaNO3+ - -llnl_gamma 4.0 - log_k +0.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction BaNO3+ +NO3- + Ba+2 = BaNO3+ + -llnl_gamma 4 + log_k 0.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction BaNO3+ # Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Ba++ = BaOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -13.47 - -delta_H 0 # Not possible to calculate enthalpy of reaction BaOH+ + +H2O + Ba+2 = BaOH+ + H+ + -llnl_gamma 4 + log_k -13.47 + -delta_H 0 # Not possible to calculate enthalpy of reaction BaOH+ # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Be++ = Be(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -6.8023 - -delta_H -52.4255 kJ/mol # Calculated enthalpy of reaction Be(Acetate)2 + +2 HAcetate + Be+2 = Be(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -6.8023 + -delta_H -52.4255 kJ/mol # Calculated enthalpy of reaction Be(Acetate)2 # Enthalpy of formation: -336.23 kcal/mol - -analytic -3.5242e+001 5.1285e-003 -4.8914e+002 8.2862e+000 7.1774e+005 + -analytic -3.5242e+1 5.1285e-3 -4.8914e+2 8.2862e+0 7.1774e+5 # -Range: 0-300 -1.0000 Be++ + 1.0000 HAcetate = BeAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.1079 - -delta_H -22.761 kJ/mol # Calculated enthalpy of reaction BeAcetate+ +Be+2 + HAcetate = BeAcetate+ + H+ + -llnl_gamma 4 + log_k -3.1079 + -delta_H -22.761 kJ/mol # Calculated enthalpy of reaction BeAcetate+ # Enthalpy of formation: -213.04 kcal/mol - -analytic -1.9418e+001 5.2172e-004 -8.5071e+001 5.2755e+000 3.0215e+005 + -analytic -1.9418e+1 5.2172e-4 -8.5071e+1 5.2755e+0 3.0215e+5 # -Range: 0-300 -2.0000 H2O + 1.0000 Be++ = BeO2-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -32.161 - -delta_H 163.737 kJ/mol # Calculated enthalpy of reaction BeO2-2 +2 H2O + Be+2 = BeO2-2 + 4 H+ + -llnl_gamma 4 + log_k -32.161 + -delta_H 163.737 kJ/mol # Calculated enthalpy of reaction BeO2-2 # Enthalpy of formation: -189 kcal/mol - -analytic 7.0860e+000 -3.8474e-002 -1.1400e+004 4.2138e+000 -1.7789e+002 + -analytic 7.086e+0 -3.8474e-2 -1.14e+4 4.2138e+0 -1.7789e+2 # -Range: 0-300 -2.0000 H+ + 2.0000 Br- + 0.5000 O2 = Br2 +1.0000 H2O - -llnl_gamma 3.0 - log_k +5.6834 - -delta_H 0 # Not possible to calculate enthalpy of reaction Br2 +2 H+ + 2 Br- + 0.5 O2 = Br2 + H2O + -llnl_gamma 3 + log_k 5.6834 + -delta_H 0 # Not possible to calculate enthalpy of reaction Br2 # Enthalpy of formation: -0 kcal/mol - -1.0000 HCO3- + 1.0000 H+ = CO2 +1.0000 H2O + +HCO3- + H+ = CO2 + H2O -CO2_llnl_gamma - log_k +6.3447 - -delta_H -9.7027 kJ/mol # Calculated enthalpy of reaction CO2 + log_k 6.3447 + -delta_H -9.7027 kJ/mol # Calculated enthalpy of reaction CO2 # Enthalpy of formation: -98.9 kcal/mol - -analytic -1.0534e+001 2.1746e-002 2.5216e+003 7.9125e-001 3.9351e+001 + -analytic -1.0534e+1 2.1746e-2 2.5216e+3 7.9125e-1 3.9351e+1 # -Range: 0-300 -1.0000 HCO3- = CO3-- +1.0000 H+ - -llnl_gamma 4.5 - log_k -10.3288 - -delta_H 14.6984 kJ/mol # Calculated enthalpy of reaction CO3-2 +HCO3- = CO3-2 + H+ + -llnl_gamma 4.5 + log_k -10.3288 + -delta_H 14.6984 kJ/mol # Calculated enthalpy of reaction CO3-2 # Enthalpy of formation: -161.385 kcal/mol - -analytic -6.9958e+001 -3.3526e-002 -7.0846e+001 2.8224e+001 -1.0849e+000 + -analytic -6.9958e+1 -3.3526e-2 -7.0846e+1 2.8224e+1 -1.0849e+0 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Ca++ = Ca(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -7.3814 - -delta_H -2.7196 kJ/mol # Calculated enthalpy of reaction Ca(Acetate)2 +2 HAcetate + Ca+2 = Ca(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -7.3814 + -delta_H -2.7196 kJ/mol # Calculated enthalpy of reaction Ca(Acetate)2 # Enthalpy of formation: -362.65 kcal/mol - -analytic -1.0320e+001 4.0012e-003 -3.6281e+003 2.4421e+000 7.0175e+005 + -analytic -1.032e+1 4.0012e-3 -3.6281e+3 2.4421e+0 7.0175e+5 # -Range: 0-300 -1.0000 O_phthalate-2 + 1.0000 Ca++ = Ca(O_phthalate) - -llnl_gamma 3.0 - log_k +2.4200 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ca(O_phthalate) +O_phthalate-2 + Ca+2 = Ca(O_phthalate) + -llnl_gamma 3 + log_k 2.42 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ca(O_phthalate) # Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Ca++ + 1.0000 B(OH)3 = CaB(OH)4+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -7.4222 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaB(OH)4+ + +H2O + Ca+2 + B(OH)3 = CaB(OH)4+ + H+ + -llnl_gamma 4 + log_k -7.4222 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaB(OH)4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Ca++ + 1.0000 HAcetate = CaAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.8263 - -delta_H 1.17152 kJ/mol # Calculated enthalpy of reaction CaAcetate+ + +Ca+2 + HAcetate = CaAcetate+ + H+ + -llnl_gamma 4 + log_k -3.8263 + -delta_H 1.17152 kJ/mol # Calculated enthalpy of reaction CaAcetate+ # Enthalpy of formation: -245.62 kcal/mol - -analytic -8.8826e+000 3.1672e-003 -1.0764e+003 2.0526e+000 2.3599e+005 + -analytic -8.8826e+0 3.1672e-3 -1.0764e+3 2.0526e+0 2.3599e+5 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Ca++ = CaCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -7.0017 - -delta_H 30.5767 kJ/mol # Calculated enthalpy of reaction CaCO3 +HCO3- + Ca+2 = CaCO3 + H+ + -llnl_gamma 3 + log_k -7.0017 + -delta_H 30.5767 kJ/mol # Calculated enthalpy of reaction CaCO3 # Enthalpy of formation: -287.39 kcal/mol - -analytic 2.3045e+002 5.5350e-002 -8.5056e+003 -9.1096e+001 -1.3279e+002 + -analytic 2.3045e+2 5.535e-2 -8.5056e+3 -9.1096e+1 -1.3279e+2 # -Range: 0-300 -1.0000 Cl- + 1.0000 Ca++ = CaCl+ - -llnl_gamma 4.0 - log_k -0.6956 - -delta_H 2.02087 kJ/mol # Calculated enthalpy of reaction CaCl+ +Cl- + Ca+2 = CaCl+ + -llnl_gamma 4 + log_k -0.6956 + -delta_H 2.02087 kJ/mol # Calculated enthalpy of reaction CaCl+ # Enthalpy of formation: -169.25 kcal/mol - -analytic 8.1498e+001 3.8387e-002 -1.3763e+003 -3.5968e+001 -2.1501e+001 + -analytic 8.1498e+1 3.8387e-2 -1.3763e+3 -3.5968e+1 -2.1501e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Ca++ = CaCl2 - -llnl_gamma 3.0 - log_k -0.6436 - -delta_H -5.8325 kJ/mol # Calculated enthalpy of reaction CaCl2 +2 Cl- + Ca+2 = CaCl2 + -llnl_gamma 3 + log_k -0.6436 + -delta_H -5.8325 kJ/mol # Calculated enthalpy of reaction CaCl2 # Enthalpy of formation: -211.06 kcal/mol - -analytic 1.8178e+002 7.6910e-002 -3.1088e+003 -7.8760e+001 -4.8563e+001 + -analytic 1.8178e+2 7.691e-2 -3.1088e+3 -7.876e+1 -4.8563e+1 # -Range: 0-300 -1.0000 F- + 1.0000 Ca++ = CaF+ - -llnl_gamma 4.0 - log_k +0.6817 - -delta_H 5.6484 kJ/mol # Calculated enthalpy of reaction CaF+ +F- + Ca+2 = CaF+ + -llnl_gamma 4 + log_k 0.6817 + -delta_H 5.6484 kJ/mol # Calculated enthalpy of reaction CaF+ # Enthalpy of formation: -208.6 kcal/mol - -analytic 7.8058e+001 3.8276e-002 -1.3289e+003 -3.4071e+001 -2.0759e+001 + -analytic 7.8058e+1 3.8276e-2 -1.3289e+3 -3.4071e+1 -2.0759e+1 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Ca++ = CaH2PO4+ - -llnl_gamma 4.0 - log_k +1.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaH2PO4+ +HPO4-2 + H+ + Ca+2 = CaH2PO4+ + -llnl_gamma 4 + log_k 1.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaH2PO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 HCO3- + 1.0000 Ca++ = CaHCO3+ - -llnl_gamma 4.0 - log_k +1.0467 - -delta_H 1.45603 kJ/mol # Calculated enthalpy of reaction CaHCO3+ + +HCO3- + Ca+2 = CaHCO3+ + -llnl_gamma 4 + log_k 1.0467 + -delta_H 1.45603 kJ/mol # Calculated enthalpy of reaction CaHCO3+ # Enthalpy of formation: -294.35 kcal/mol - -analytic 5.5985e+001 3.4639e-002 -3.6972e+002 -2.5864e+001 -5.7859e+000 -# -Range: 0-300 - -1.0000 HPO4-- + 1.0000 Ca++ = CaHPO4 - -llnl_gamma 3.0 - log_k +2.7400 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaHPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 Ca++ = CaNO3+ - -llnl_gamma 4.0 - log_k +0.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaNO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Ca++ = CaOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -12.85 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaOH+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Ca++ = CaP2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +3.0537 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaP2O7-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 Ca++ = CaPO4- +1.0000 H+ - -llnl_gamma 4.0 - log_k -5.8618 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaPO4- -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Ca++ = CaSO4 - -llnl_gamma 3.0 - log_k +2.1111 - -delta_H 5.4392 kJ/mol # Calculated enthalpy of reaction CaSO4 + -analytic 5.5985e+1 3.4639e-2 -3.6972e+2 -2.5864e+1 -5.7859e+0 +# -Range: 0-300 + +HPO4-2 + Ca+2 = CaHPO4 + -llnl_gamma 3 + log_k 2.74 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaHPO4 +# Enthalpy of formation: -0 kcal/mol + +NO3- + Ca+2 = CaNO3+ + -llnl_gamma 4 + log_k 0.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaNO3+ +# Enthalpy of formation: -0 kcal/mol + +H2O + Ca+2 = CaOH+ + H+ + -llnl_gamma 4 + log_k -12.85 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaOH+ +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Ca+2 = CaP2O7-2 + H2O + -llnl_gamma 4 + log_k 3.0537 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaP2O7-2 +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + Ca+2 = CaPO4- + H+ + -llnl_gamma 4 + log_k -5.8618 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaPO4- +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Ca+2 = CaSO4 + -llnl_gamma 3 + log_k 2.1111 + -delta_H 5.4392 kJ/mol # Calculated enthalpy of reaction CaSO4 # Enthalpy of formation: -345.9 kcal/mol - -analytic 2.8618e+002 8.4084e-002 -7.6880e+003 -1.1449e+002 -1.2005e+002 + -analytic 2.8618e+2 8.4084e-2 -7.688e+3 -1.1449e+2 -1.2005e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Cd++ = Cd(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -6.3625 - -delta_H -17.4891 kJ/mol # Calculated enthalpy of reaction Cd(Acetate)2 +2 HAcetate + Cd+2 = Cd(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -6.3625 + -delta_H -17.4891 kJ/mol # Calculated enthalpy of reaction Cd(Acetate)2 # Enthalpy of formation: -254.52 kcal/mol - -analytic -1.9344e+001 2.5894e-003 -3.2847e+003 5.8489e+000 7.8041e+005 + -analytic -1.9344e+1 2.5894e-3 -3.2847e+3 5.8489e+0 7.8041e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Cd++ = Cd(Acetate)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -10.8558 - -delta_H -40.0409 kJ/mol # Calculated enthalpy of reaction Cd(Acetate)3- +3 HAcetate + Cd+2 = Cd(Acetate)3- + 3 H+ + -llnl_gamma 4 + log_k -10.8558 + -delta_H -40.0409 kJ/mol # Calculated enthalpy of reaction Cd(Acetate)3- # Enthalpy of formation: -376.01 kcal/mol - -analytic 4.8290e+001 -3.4317e-003 -1.5122e+004 -1.3203e+001 2.2479e+006 + -analytic 4.829e+1 -3.4317e-3 -1.5122e+4 -1.3203e+1 2.2479e+6 # -Range: 0-300 -4.0000 HAcetate + 1.0000 Cd++ = Cd(Acetate)4-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -16.9163 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Acetate)4-2 +4 HAcetate + Cd+2 = Cd(Acetate)4-2 + 4 H+ + -llnl_gamma 4 + log_k -16.9163 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Acetate)4-2 # Enthalpy of formation: -0 kcal/mol - - 2.0000 Cyanide- + 1.0000 Cd++ = Cd(Cyanide)2 - -llnl_gamma 3.0 - log_k +10.3551 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)2 + + 2 Cyanide- + Cd+2 = Cd(Cyanide)2 + -llnl_gamma 3 + log_k 10.3551 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)2 # Enthalpy of formation: -0 kcal/mol - - 3.0000 Cyanide- + 1.0000 Cd++ = Cd(Cyanide)3- - -llnl_gamma 4.0 - log_k +14.8191 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)3- + + 3 Cyanide- + Cd+2 = Cd(Cyanide)3- + -llnl_gamma 4 + log_k 14.8191 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)3- # Enthalpy of formation: -0 kcal/mol - - 4.0000 Cyanide- + 1.0000 Cd++ = Cd(Cyanide)4-- - -llnl_gamma 4.0 - log_k +18.2670 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)4-2 + + 4 Cyanide- + Cd+2 = Cd(Cyanide)4-2 + -llnl_gamma 4 + log_k 18.267 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Cyanide)4-2 # Enthalpy of formation: -0 kcal/mol - - -2.0000 HCO3- + 1.0000 Cd++ = Cd(CO3)2-- +2.0000 H+ - -llnl_gamma 4.0 - log_k -14.2576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(CO3)2-2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 N3- + 1.0000 Cd++ = Cd(N3)2 - -llnl_gamma 0.0 - log_k +2.4606 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 N3- + 1.0000 Cd++ = Cd(N3)3- - -llnl_gamma 4.0 - log_k +3.1263 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 N3- + 1.0000 Cd++ = Cd(N3)4-- - -llnl_gamma 4.0 - log_k +3.4942 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)4-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 NH3 + 1.0000 Cd++ = Cd(NH3)++ - -llnl_gamma 4.5 - log_k +2.5295 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(NH3)+2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 NH3 + 1.0000 Cd++ = Cd(NH3)2++ - -llnl_gamma 4.5 - log_k +4.8760 - -delta_H -27.6533 kJ/mol # Calculated enthalpy of reaction Cd(NH3)2+2 + + +2 HCO3- + Cd+2 = Cd(CO3)2-2 + 2 H+ + -llnl_gamma 4 + log_k -14.2576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(CO3)2-2 +# Enthalpy of formation: -0 kcal/mol + +2 N3- + Cd+2 = Cd(N3)2 + -llnl_gamma 0 + log_k 2.4606 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)2 +# Enthalpy of formation: -0 kcal/mol + +3 N3- + Cd+2 = Cd(N3)3- + -llnl_gamma 4 + log_k 3.1263 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)3- +# Enthalpy of formation: -0 kcal/mol + +4 N3- + Cd+2 = Cd(N3)4-2 + -llnl_gamma 4 + log_k 3.4942 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(N3)4-2 +# Enthalpy of formation: -0 kcal/mol + +NH3 + Cd+2 = Cd(NH3)+2 + -llnl_gamma 4.5 + log_k 2.5295 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(NH3)+2 +# Enthalpy of formation: -0 kcal/mol + +2 NH3 + Cd+2 = Cd(NH3)2+2 + -llnl_gamma 4.5 + log_k 4.876 + -delta_H -27.6533 kJ/mol # Calculated enthalpy of reaction Cd(NH3)2+2 # Enthalpy of formation: -266.225 kJ/mol - -analytic 1.0738e+002 1.6071e-003 -3.2536e+003 -3.7202e+001 -5.0801e+001 + -analytic 1.0738e+2 1.6071e-3 -3.2536e+3 -3.7202e+1 -5.0801e+1 # -Range: 0-300 -4.0000 NH3 + 1.0000 Cd++ = Cd(NH3)4++ - -llnl_gamma 4.5 - log_k +7.2914 - -delta_H -49.0684 kJ/mol # Calculated enthalpy of reaction Cd(NH3)4+2 +4 NH3 + Cd+2 = Cd(NH3)4+2 + -llnl_gamma 4.5 + log_k 7.2914 + -delta_H -49.0684 kJ/mol # Calculated enthalpy of reaction Cd(NH3)4+2 # Enthalpy of formation: -450.314 kJ/mol - -analytic 1.5670e+002 -9.4949e-003 -5.0986e+003 -5.2316e+001 -7.9603e+001 -# -Range: 0-300 - -2.0000 H2O + 1.0000 Cd++ = Cd(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -20.3402 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Cd++ = Cd(OH)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -33.2852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 Cd++ = Cd(OH)4-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -47.3303 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)4-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Cl- + 1.0000 Cd++ = Cd(OH)Cl +1.0000 H+ - -llnl_gamma 3.0 - log_k -7.4328 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)Cl -# Enthalpy of formation: -0 kcal/mol - -2.0000 Thiocyanate- + 1.0000 Cd++ = Cd(Thiocyanate)2 - -llnl_gamma 3.0 - log_k +1.8649 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Thiocyanate)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 Thiocyanate- + 1.0000 Cd++ = Cd(Thiocyanate)3- - -llnl_gamma 4.0 - log_k +1.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Thiocyanate)3- -# Enthalpy of formation: -0 kcal/mol - -2.0000 Cd++ + 1.0000 H2O = Cd2OH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -9.3851 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd2OH+3 -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 4.0000 Cd++ = Cd4(OH)4++++ +4.0000 H+ - -llnl_gamma 5.5 - log_k -362.1263 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd4(OH)4+4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Cd++ + 1.0000 Br- = CdBr+ - -llnl_gamma 4.0 - log_k +2.1424 - -delta_H -3.35588 kJ/mol # Calculated enthalpy of reaction CdBr+ + -analytic 1.567e+2 -9.4949e-3 -5.0986e+3 -5.2316e+1 -7.9603e+1 +# -Range: 0-300 + +2 H2O + Cd+2 = Cd(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -20.3402 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)2 +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Cd+2 = Cd(OH)3- + 3 H+ + -llnl_gamma 4 + log_k -33.2852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)3- +# Enthalpy of formation: -0 kcal/mol + +4 H2O + Cd+2 = Cd(OH)4-2 + 4 H+ + -llnl_gamma 4 + log_k -47.3303 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)4-2 +# Enthalpy of formation: -0 kcal/mol + +H2O + Cl- + Cd+2 = Cd(OH)Cl + H+ + -llnl_gamma 3 + log_k -7.4328 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(OH)Cl +# Enthalpy of formation: -0 kcal/mol + +2 Thiocyanate- + Cd+2 = Cd(Thiocyanate)2 + -llnl_gamma 3 + log_k 1.8649 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Thiocyanate)2 +# Enthalpy of formation: -0 kcal/mol + +3 Thiocyanate- + Cd+2 = Cd(Thiocyanate)3- + -llnl_gamma 4 + log_k 1.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(Thiocyanate)3- +# Enthalpy of formation: -0 kcal/mol + +2 Cd+2 + H2O = Cd2OH+3 + H+ + -llnl_gamma 5 + log_k -9.3851 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd2OH+3 +# Enthalpy of formation: -0 kcal/mol + +4 H2O + 4 Cd+2 = Cd4(OH)4+4 + 4 H+ + -llnl_gamma 5.5 + log_k -362.1263 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd4(OH)4+4 +# Enthalpy of formation: -0 kcal/mol + +Cd+2 + Br- = CdBr+ + -llnl_gamma 4 + log_k 2.1424 + -delta_H -3.35588 kJ/mol # Calculated enthalpy of reaction CdBr+ # Enthalpy of formation: -200.757 kJ/mol - -analytic 1.4922e+002 5.0059e-002 -3.3035e+003 -6.0984e+001 -5.1593e+001 + -analytic 1.4922e+2 5.0059e-2 -3.3035e+3 -6.0984e+1 -5.1593e+1 # -Range: 0-300 -2.0000 Br- + 1.0000 Cd++ = CdBr2 - -llnl_gamma 3.0 - log_k +2.8614 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdBr2 +2 Br- + Cd+2 = CdBr2 + -llnl_gamma 3 + log_k 2.8614 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdBr2 # Enthalpy of formation: -0 kcal/mol - -3.0000 Br- + 1.0000 Cd++ = CdBr3- - -llnl_gamma 4.0 - log_k +3.0968 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdBr3- + +3 Br- + Cd+2 = CdBr3- + -llnl_gamma 4 + log_k 3.0968 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdBr3- # Enthalpy of formation: -0 kcal/mol - -1.0000 Cd++ + 1.0000 HAcetate = CdAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.8294 - -delta_H -7.02912 kJ/mol # Calculated enthalpy of reaction CdAcetate+ + +Cd+2 + HAcetate = CdAcetate+ + H+ + -llnl_gamma 4 + log_k -2.8294 + -delta_H -7.02912 kJ/mol # Calculated enthalpy of reaction CdAcetate+ # Enthalpy of formation: -135.92 kcal/mol - -analytic -8.8425e+000 1.7178e-003 -1.1758e+003 2.4435e+000 3.0321e+005 + -analytic -8.8425e+0 1.7178e-3 -1.1758e+3 2.4435e+0 3.0321e+5 # -Range: 0-300 -1.0000 Cd++ + 1.0000 Cyanide- = CdCyanide+ - -llnl_gamma 4.0 - log_k +5.3129 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdCyanide+ +Cd+2 + Cyanide- = CdCyanide+ + -llnl_gamma 4 + log_k 5.3129 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdCyanide+ # Enthalpy of formation: -0 kcal/mol - -1.0000 HCO3- + 1.0000 Cd++ = CdCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -7.3288 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdCO3 + +HCO3- + Cd+2 = CdCO3 + H+ + -llnl_gamma 3 + log_k -7.3288 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdCO3 # Enthalpy of formation: -0 kcal/mol - -1.0000 Cl- + 1.0000 Cd++ = CdCl+ - -llnl_gamma 4.0 - log_k +2.7059 - -delta_H 2.33843 kJ/mol # Calculated enthalpy of reaction CdCl+ + +Cl- + Cd+2 = CdCl+ + -llnl_gamma 4 + log_k 2.7059 + -delta_H 2.33843 kJ/mol # Calculated enthalpy of reaction CdCl+ # Enthalpy of formation: -240.639 kJ/mol -2.0000 Cl- + 1.0000 Cd++ = CdCl2 - -llnl_gamma 3.0 - log_k +3.3384 - -delta_H 5.1261 kJ/mol # Calculated enthalpy of reaction CdCl2 +2 Cl- + Cd+2 = CdCl2 + -llnl_gamma 3 + log_k 3.3384 + -delta_H 5.1261 kJ/mol # Calculated enthalpy of reaction CdCl2 # Enthalpy of formation: -404.931 kJ/mol - -analytic 1.4052e+002 4.9221e-002 -3.2625e+003 -5.6946e+001 -5.5451e+001 + -analytic 1.4052e+2 4.9221e-2 -3.2625e+3 -5.6946e+1 -5.5451e+1 # -Range: 0-200 -3.0000 Cl- + 1.0000 Cd++ = CdCl3- - -llnl_gamma 4.0 - log_k +2.7112 - -delta_H 15.9388 kJ/mol # Calculated enthalpy of reaction CdCl3- +3 Cl- + Cd+2 = CdCl3- + -llnl_gamma 4 + log_k 2.7112 + -delta_H 15.9388 kJ/mol # Calculated enthalpy of reaction CdCl3- # Enthalpy of formation: -561.198 kJ/mol - -analytic 3.5108e+002 1.0219e-001 -9.9103e+003 -1.3965e+002 -1.5474e+002 + -analytic 3.5108e+2 1.0219e-1 -9.9103e+3 -1.3965e+2 -1.5474e+2 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Cd++ = CdHCO3+ - -llnl_gamma 4.0 - log_k +1.5000 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdHCO3+ +HCO3- + Cd+2 = CdHCO3+ + -llnl_gamma 4 + log_k 1.5 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdHCO3+ # Enthalpy of formation: -0 kcal/mol - -1.0000 I- + 1.0000 Cd++ = CdI+ - -llnl_gamma 4.0 - log_k +2.0710 - -delta_H -9.02584 kJ/mol # Calculated enthalpy of reaction CdI+ + +I- + Cd+2 = CdI+ + -llnl_gamma 4 + log_k 2.071 + -delta_H -9.02584 kJ/mol # Calculated enthalpy of reaction CdI+ # Enthalpy of formation: -141.826 kJ/mol - -analytic 1.5019e+002 5.0320e-002 -3.0810e+003 -6.1738e+001 -4.8120e+001 + -analytic 1.5019e+2 5.032e-2 -3.081e+3 -6.1738e+1 -4.812e+1 # -Range: 0-300 -2.0000 I- + 1.0000 Cd++ = CdI2 - -llnl_gamma 3.0 - log_k +3.4685 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdI2 +2 I- + Cd+2 = CdI2 + -llnl_gamma 3 + log_k 3.4685 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdI2 # Enthalpy of formation: -0 kcal/mol - -3.0000 I- + 1.0000 Cd++ = CdI3- - -llnl_gamma 4.0 - log_k +4.5506 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdI3- + +3 I- + Cd+2 = CdI3- + -llnl_gamma 4 + log_k 4.5506 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdI3- # Enthalpy of formation: -0 kcal/mol - -4.0000 I- + 1.0000 Cd++ = CdI4-- - -llnl_gamma 4.0 - log_k +5.3524 - -delta_H -38.8566 kJ/mol # Calculated enthalpy of reaction CdI4-2 + +4 I- + Cd+2 = CdI4-2 + -llnl_gamma 4 + log_k 5.3524 + -delta_H -38.8566 kJ/mol # Calculated enthalpy of reaction CdI4-2 # Enthalpy of formation: -342.364 kJ/mol - -analytic 4.3154e+002 1.4257e-001 -8.4464e+003 -1.7795e+002 -1.3193e+002 -# -Range: 0-300 - -1.0000 N3- + 1.0000 Cd++ = CdN3+ - -llnl_gamma 4.0 - log_k +1.4970 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdN3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 NO2- + 1.0000 Cd++ = CdNO2+ - -llnl_gamma 4.0 - log_k +2.3700 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdNO2+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Cd++ = CdOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -10.0751 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdOH+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Cd++ = CdP2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +4.8094 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdP2O7-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Thiocyanate- + 1.0000 Cd++ = CdThiocyanate+ - -llnl_gamma 4.0 - log_k +1.3218 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdThiocyanate+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Cd++ = CdSO4 - -llnl_gamma 3.0 - log_k +0.0028 - -delta_H 0.20436 kJ/mol # Calculated enthalpy of reaction CdSO4 + -analytic 4.3154e+2 1.4257e-1 -8.4464e+3 -1.7795e+2 -1.3193e+2 +# -Range: 0-300 + +N3- + Cd+2 = CdN3+ + -llnl_gamma 4 + log_k 1.497 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdN3+ +# Enthalpy of formation: -0 kcal/mol + +NO2- + Cd+2 = CdNO2+ + -llnl_gamma 4 + log_k 2.37 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdNO2+ +# Enthalpy of formation: -0 kcal/mol + +H2O + Cd+2 = CdOH+ + H+ + -llnl_gamma 4 + log_k -10.0751 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdOH+ +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Cd+2 = CdP2O7-2 + H2O + -llnl_gamma 4 + log_k 4.8094 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdP2O7-2 +# Enthalpy of formation: -0 kcal/mol + +Thiocyanate- + Cd+2 = CdThiocyanate+ + -llnl_gamma 4 + log_k 1.3218 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdThiocyanate+ +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Cd+2 = CdSO4 + -llnl_gamma 3 + log_k 0.0028 + -delta_H 0.20436 kJ/mol # Calculated enthalpy of reaction CdSO4 # Enthalpy of formation: -985.295 kJ/mol - -analytic -8.9926e+000 -1.9109e-003 2.7454e+002 3.4949e+000 4.6651e+000 + -analytic -8.9926e+0 -1.9109e-3 2.7454e+2 3.4949e+0 4.6651e+0 # -Range: 0-200 -1.0000 SeO4-- + 1.0000 Cd++ = CdSeO4 - -llnl_gamma 3.0 - log_k +2.2700 - -delta_H 0 # Not possible to calculate enthalpy of reaction CdSeO4 +SeO4-2 + Cd+2 = CdSeO4 + -llnl_gamma 3 + log_k 2.27 + -delta_H 0 # Not possible to calculate enthalpy of reaction CdSeO4 # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Ce+++ = Ce(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.8159 - -delta_H -22.9702 kJ/mol # Calculated enthalpy of reaction Ce(Acetate)2+ + +2 HAcetate + Ce+3 = Ce(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.8159 + -delta_H -22.9702 kJ/mol # Calculated enthalpy of reaction Ce(Acetate)2+ # Enthalpy of formation: -405.09 kcal/mol - -analytic -3.4653e+001 2.0716e-004 -6.3400e+002 1.0678e+001 4.8922e+005 + -analytic -3.4653e+1 2.0716e-4 -6.34e+2 1.0678e+1 4.8922e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Ce+++ = Ce(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.151 - -delta_H -38.7438 kJ/mol # Calculated enthalpy of reaction Ce(Acetate)3 +3 HAcetate + Ce+3 = Ce(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.151 + -delta_H -38.7438 kJ/mol # Calculated enthalpy of reaction Ce(Acetate)3 # Enthalpy of formation: -524.96 kcal/mol - -analytic -2.3361e+001 2.3896e-003 -1.8035e+003 5.0888e+000 7.1021e+005 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 Ce+++ = Ce(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -8.1576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Ce+++ = Ce(HPO4)2- - -llnl_gamma 4.0 - log_k +8.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(HPO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Ce++++ = Ce(OH)2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k +2.0098 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)2+2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Ce+++ = Ce(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -6.1437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 2.0000 Ce++++ = Ce2(OH)2+6 +2.0000 H+ - -llnl_gamma 6.0 - log_k +3.0098 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce2(OH)2+6 -# Enthalpy of formation: -0 kcal/mol - -5.0000 H2O + 3.0000 Ce+++ = Ce3(OH)5++++ +5.0000 H+ - -llnl_gamma 5.5 - log_k -33.4754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce3(OH)5+4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Ce+++ + 1.0000 Br- = CeBr++ - -llnl_gamma 4.5 - log_k +0.3797 - -delta_H 3.0585 kJ/mol # Calculated enthalpy of reaction CeBr+2 + -analytic -2.3361e+1 2.3896e-3 -1.8035e+3 5.0888e+0 7.1021e+5 +# -Range: 0-300 + +2 HCO3- + Ce+3 = Ce(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -8.1576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Ce+3 = Ce(HPO4)2- + -llnl_gamma 4 + log_k 8.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Ce+4 = Ce(OH)2+2 + 2 H+ + -llnl_gamma 4.5 + log_k 2.0098 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)2+2 +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Ce+3 = Ce(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -6.1437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + 2 Ce+4 = Ce2(OH)2+6 + 2 H+ + -llnl_gamma 6 + log_k 3.0098 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce2(OH)2+6 +# Enthalpy of formation: -0 kcal/mol + +5 H2O + 3 Ce+3 = Ce3(OH)5+4 + 5 H+ + -llnl_gamma 5.5 + log_k -33.4754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce3(OH)5+4 +# Enthalpy of formation: -0 kcal/mol + +Ce+3 + Br- = CeBr+2 + -llnl_gamma 4.5 + log_k 0.3797 + -delta_H 3.0585 kJ/mol # Calculated enthalpy of reaction CeBr+2 # Enthalpy of formation: -195.709 kcal/mol - -analytic 7.5790e+001 3.6040e-002 -1.2647e+003 -3.3094e+001 -1.9757e+001 + -analytic 7.579e+1 3.604e-2 -1.2647e+3 -3.3094e+1 -1.9757e+1 # -Range: 0-300 -1.0000 Ce+++ + 1.0000 HAcetate = CeAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.0304 - -delta_H -12.0918 kJ/mol # Calculated enthalpy of reaction CeAcetate+2 +Ce+3 + HAcetate = CeAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.0304 + -delta_H -12.0918 kJ/mol # Calculated enthalpy of reaction CeAcetate+2 # Enthalpy of formation: -286.39 kcal/mol - -analytic -1.6080e+001 6.6239e-004 -6.0721e+002 5.0845e+000 2.9512e+005 + -analytic -1.608e+1 6.6239e-4 -6.0721e+2 5.0845e+0 2.9512e+5 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Ce+++ = CeCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.9284 - -delta_H 93.345 kJ/mol # Calculated enthalpy of reaction CeCO3+ +HCO3- + Ce+3 = CeCO3+ + H+ + -llnl_gamma 4 + log_k -2.9284 + -delta_H 93.345 kJ/mol # Calculated enthalpy of reaction CeCO3+ # Enthalpy of formation: -309.988 kcal/mol - -analytic 2.3292e+002 5.3153e-002 -7.1180e+003 -9.2061e+001 -1.1114e+002 + -analytic 2.3292e+2 5.3153e-2 -7.118e+3 -9.2061e+1 -1.1114e+2 # -Range: 0-300 -1.0000 Cl- + 1.0000 Ce+++ = CeCl++ - -llnl_gamma 4.5 - log_k +0.3086 - -delta_H 14.7821 kJ/mol # Calculated enthalpy of reaction CeCl+2 +Cl- + Ce+3 = CeCl+2 + -llnl_gamma 4.5 + log_k 0.3086 + -delta_H 14.7821 kJ/mol # Calculated enthalpy of reaction CeCl+2 # Enthalpy of formation: -203.8 kcal/mol - -analytic 8.3534e+001 3.8166e-002 -2.0058e+003 -3.5504e+001 -3.1324e+001 + -analytic 8.3534e+1 3.8166e-2 -2.0058e+3 -3.5504e+1 -3.1324e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Ce+++ = CeCl2+ - -llnl_gamma 4.0 - log_k +0.0308 - -delta_H 20.7777 kJ/mol # Calculated enthalpy of reaction CeCl2+ +2 Cl- + Ce+3 = CeCl2+ + -llnl_gamma 4 + log_k 0.0308 + -delta_H 20.7777 kJ/mol # Calculated enthalpy of reaction CeCl2+ # Enthalpy of formation: -242.3 kcal/mol - -analytic 2.3011e+002 8.1428e-002 -6.1292e+003 -9.4468e+001 -9.5708e+001 + -analytic 2.3011e+2 8.1428e-2 -6.1292e+3 -9.4468e+1 -9.5708e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Ce+++ = CeCl3 - -llnl_gamma 3.0 - log_k -0.3936 - -delta_H 15.4766 kJ/mol # Calculated enthalpy of reaction CeCl3 +3 Cl- + Ce+3 = CeCl3 + -llnl_gamma 3 + log_k -0.3936 + -delta_H 15.4766 kJ/mol # Calculated enthalpy of reaction CeCl3 # Enthalpy of formation: -283.5 kcal/mol - -analytic 4.4073e+002 1.2994e-001 -1.2308e+004 -1.7722e+002 -1.9218e+002 + -analytic 4.4073e+2 1.2994e-1 -1.2308e+4 -1.7722e+2 -1.9218e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Ce+++ = CeCl4- - -llnl_gamma 4.0 - log_k -0.7447 - -delta_H -1.95811 kJ/mol # Calculated enthalpy of reaction CeCl4- +4 Cl- + Ce+3 = CeCl4- + -llnl_gamma 4 + log_k -0.7447 + -delta_H -1.95811 kJ/mol # Calculated enthalpy of reaction CeCl4- # Enthalpy of formation: -327.6 kcal/mol - -analytic 5.2230e+002 1.3490e-001 -1.4859e+004 -2.0747e+002 -2.3201e+002 + -analytic 5.223e+2 1.349e-1 -1.4859e+4 -2.0747e+2 -2.3201e+2 # -Range: 0-300 -1.0000 ClO4- + 1.0000 Ce+++ = CeClO4++ - -llnl_gamma 4.5 - log_k +1.9102 - -delta_H -49.0197 kJ/mol # Calculated enthalpy of reaction CeClO4+2 +ClO4- + Ce+3 = CeClO4+2 + -llnl_gamma 4.5 + log_k 1.9102 + -delta_H -49.0197 kJ/mol # Calculated enthalpy of reaction CeClO4+2 # Enthalpy of formation: -210.026 kcal/mol - -analytic -1.3609e+001 1.8115e-002 3.9869e+003 -1.3033e+000 6.2215e+001 + -analytic -1.3609e+1 1.8115e-2 3.9869e+3 -1.3033e+0 6.2215e+1 # -Range: 0-300 -1.0000 F- + 1.0000 Ce+++ = CeF++ - -llnl_gamma 4.5 - log_k +4.2221 - -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction CeF+2 +F- + Ce+3 = CeF+2 + -llnl_gamma 4.5 + log_k 4.2221 + -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction CeF+2 # Enthalpy of formation: -242 kcal/mol - -analytic 1.0303e+002 4.1730e-002 -2.8424e+003 -4.1094e+001 -4.4383e+001 + -analytic 1.0303e+2 4.173e-2 -2.8424e+3 -4.1094e+1 -4.4383e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Ce+++ = CeF2+ - -llnl_gamma 4.0 - log_k +7.2714 - -delta_H 15.0624 kJ/mol # Calculated enthalpy of reaction CeF2+ +2 F- + Ce+3 = CeF2+ + -llnl_gamma 4 + log_k 7.2714 + -delta_H 15.0624 kJ/mol # Calculated enthalpy of reaction CeF2+ # Enthalpy of formation: -324.1 kcal/mol - -analytic 2.5063e+002 8.5224e-002 -6.2219e+003 -1.0017e+002 -9.7160e+001 + -analytic 2.5063e+2 8.5224e-2 -6.2219e+3 -1.0017e+2 -9.716e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Ce+++ = CeF3 - -llnl_gamma 3.0 - log_k +9.5144 - -delta_H -6.0668 kJ/mol # Calculated enthalpy of reaction CeF3 +3 F- + Ce+3 = CeF3 + -llnl_gamma 3 + log_k 9.5144 + -delta_H -6.0668 kJ/mol # Calculated enthalpy of reaction CeF3 # Enthalpy of formation: -409.3 kcal/mol - -analytic 4.6919e+002 1.3664e-001 -1.1745e+004 -1.8629e+002 -1.8340e+002 + -analytic 4.6919e+2 1.3664e-1 -1.1745e+4 -1.8629e+2 -1.834e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Ce+++ = CeF4- - -llnl_gamma 4.0 - log_k +11.3909 - -delta_H -45.6056 kJ/mol # Calculated enthalpy of reaction CeF4- +4 F- + Ce+3 = CeF4- + -llnl_gamma 4 + log_k 11.3909 + -delta_H -45.6056 kJ/mol # Calculated enthalpy of reaction CeF4- # Enthalpy of formation: -498.9 kcal/mol - -analytic 5.3522e+002 1.3856e-001 -1.2722e+004 -2.1112e+002 -1.9868e+002 + -analytic 5.3522e+2 1.3856e-1 -1.2722e+4 -2.1112e+2 -1.9868e+2 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Ce+++ = CeH2PO4++ - -llnl_gamma 4.5 - log_k +9.6684 - -delta_H -16.2548 kJ/mol # Calculated enthalpy of reaction CeH2PO4+2 +HPO4-2 + H+ + Ce+3 = CeH2PO4+2 + -llnl_gamma 4.5 + log_k 9.6684 + -delta_H -16.2548 kJ/mol # Calculated enthalpy of reaction CeH2PO4+2 # Enthalpy of formation: -480.1 kcal/mol - -analytic 1.1338e+002 6.3771e-002 5.2908e+001 -4.9649e+001 7.9189e-001 + -analytic 1.1338e+2 6.3771e-2 5.2908e+1 -4.9649e+1 7.9189e-1 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Ce+++ = CeHCO3++ - -llnl_gamma 4.5 - log_k +1.9190 - -delta_H 8.77803 kJ/mol # Calculated enthalpy of reaction CeHCO3+2 +HCO3- + Ce+3 = CeHCO3+2 + -llnl_gamma 4.5 + log_k 1.919 + -delta_H 8.77803 kJ/mol # Calculated enthalpy of reaction CeHCO3+2 # Enthalpy of formation: -330.2 kcal/mol - -analytic 4.4441e+001 3.2077e-002 -3.0714e+002 -2.0622e+001 -4.8060e+000 + -analytic 4.4441e+1 3.2077e-2 -3.0714e+2 -2.0622e+1 -4.806e+0 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 Ce+++ = CeHPO4+ - -llnl_gamma 4.0 - log_k +5.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction CeHPO4+ +HPO4-2 + Ce+3 = CeHPO4+ + -llnl_gamma 4 + log_k 5.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction CeHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 IO3- + 1.0000 Ce+++ = CeIO3++ - -llnl_gamma 4.5 - log_k +1.9000 - -delta_H -21.1627 kJ/mol # Calculated enthalpy of reaction CeIO3+2 + +IO3- + Ce+3 = CeIO3+2 + -llnl_gamma 4.5 + log_k 1.9 + -delta_H -21.1627 kJ/mol # Calculated enthalpy of reaction CeIO3+2 # Enthalpy of formation: -225.358 kcal/mol - -analytic 3.3756e+001 2.8528e-002 1.2847e+003 -1.8042e+001 2.0036e+001 + -analytic 3.3756e+1 2.8528e-2 1.2847e+3 -1.8042e+1 2.0036e+1 # -Range: 0-300 -1.0000 NO3- + 1.0000 Ce+++ = CeNO3++ - -llnl_gamma 4.5 - log_k +1.3143 - -delta_H -26.6563 kJ/mol # Calculated enthalpy of reaction CeNO3+2 +NO3- + Ce+3 = CeNO3+2 + -llnl_gamma 4.5 + log_k 1.3143 + -delta_H -26.6563 kJ/mol # Calculated enthalpy of reaction CeNO3+2 # Enthalpy of formation: -223.2 kcal/mol - -analytic 2.2772e+001 2.5931e-002 1.9950e+003 -1.4490e+001 3.1124e+001 + -analytic 2.2772e+1 2.5931e-2 1.995e+3 -1.449e+1 3.1124e+1 # -Range: 0-300 -1.0000 H2O + 1.0000 Ce+++ = CeO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -16.4103 - -delta_H 112.202 kJ/mol # Calculated enthalpy of reaction CeO+ +H2O + Ce+3 = CeO+ + 2 H+ + -llnl_gamma 4 + log_k -16.4103 + -delta_H 112.202 kJ/mol # Calculated enthalpy of reaction CeO+ # Enthalpy of formation: -208.9 kcal/mol - -analytic 1.9881e+002 3.1302e-002 -1.4331e+004 -7.1323e+001 -2.2368e+002 + -analytic 1.9881e+2 3.1302e-2 -1.4331e+4 -7.1323e+1 -2.2368e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Ce+++ = CeO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -38.758 - -delta_H 308.503 kJ/mol # Calculated enthalpy of reaction CeO2- +2 H2O + Ce+3 = CeO2- + 4 H+ + -llnl_gamma 4 + log_k -38.758 + -delta_H 308.503 kJ/mol # Calculated enthalpy of reaction CeO2- # Enthalpy of formation: -230.3 kcal/mol - -analytic 1.0059e+002 3.4824e-003 -1.5873e+004 -3.3056e+001 -4.7656e+005 + -analytic 1.0059e+2 3.4824e-3 -1.5873e+4 -3.3056e+1 -4.7656e+5 # -Range: 0-300 -2.0000 H2O + 1.0000 Ce+++ = CeO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -26.1503 - -delta_H 228.17 kJ/mol # Calculated enthalpy of reaction CeO2H +2 H2O + Ce+3 = CeO2H + 3 H+ + -llnl_gamma 3 + log_k -26.1503 + -delta_H 228.17 kJ/mol # Calculated enthalpy of reaction CeO2H # Enthalpy of formation: -249.5 kcal/mol - -analytic 3.5650e+002 4.6708e-002 -2.4320e+004 -1.2731e+002 -3.7959e+002 + -analytic 3.565e+2 4.6708e-2 -2.432e+4 -1.2731e+2 -3.7959e+2 # -Range: 0-300 -1.0000 H2O + 1.0000 Ce+++ = CeOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -8.4206 - -delta_H 73.2911 kJ/mol # Calculated enthalpy of reaction CeOH+2 +H2O + Ce+3 = CeOH+2 + H+ + -llnl_gamma 4.5 + log_k -8.4206 + -delta_H 73.2911 kJ/mol # Calculated enthalpy of reaction CeOH+2 # Enthalpy of formation: -218.2 kcal/mol - -analytic 7.5809e+001 1.2863e-002 -6.7244e+003 -2.6473e+001 -1.0495e+002 + -analytic 7.5809e+1 1.2863e-2 -6.7244e+3 -2.6473e+1 -1.0495e+2 # -Range: 0-300 -1.0000 H2O + 1.0000 Ce++++ = CeOH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k +3.2049 - -delta_H 0 # Not possible to calculate enthalpy of reaction CeOH+3 +H2O + Ce+4 = CeOH+3 + H+ + -llnl_gamma 5 + log_k 3.2049 + -delta_H 0 # Not possible to calculate enthalpy of reaction CeOH+3 # Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 Ce+++ = CePO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k -0.9718 - -delta_H 0 # Not possible to calculate enthalpy of reaction CePO4 + +HPO4-2 + Ce+3 = CePO4 + H+ + -llnl_gamma 3 + log_k -0.9718 + -delta_H 0 # Not possible to calculate enthalpy of reaction CePO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Ce+++ = CeSO4+ - -llnl_gamma 4.0 - log_k -3.687 - -delta_H 19.2464 kJ/mol # Calculated enthalpy of reaction CeSO4+ + +SO4-2 + Ce+3 = CeSO4+ + -llnl_gamma 4 + log_k -3.687 + -delta_H 19.2464 kJ/mol # Calculated enthalpy of reaction CeSO4+ # Enthalpy of formation: -380.2 kcal/mol - -analytic 3.0156e+002 8.5149e-002 -1.1025e+004 -1.1866e+002 -1.7213e+002 + -analytic 3.0156e+2 8.5149e-2 -1.1025e+4 -1.1866e+2 -1.7213e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Co++ = Co(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -7.1468 - -delta_H -22.4262 kJ/mol # Calculated enthalpy of reaction Co(Acetate)2 +2 HAcetate + Co+2 = Co(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -7.1468 + -delta_H -22.4262 kJ/mol # Calculated enthalpy of reaction Co(Acetate)2 # Enthalpy of formation: -251.46 kcal/mol - -analytic -2.0661e+001 2.9014e-003 -2.2146e+003 5.1702e+000 6.4968e+005 + -analytic -2.0661e+1 2.9014e-3 -2.2146e+3 5.1702e+0 6.4968e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Co++ = Co(Acetate)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -11.281 - -delta_H -48.2415 kJ/mol # Calculated enthalpy of reaction Co(Acetate)3- +3 HAcetate + Co+2 = Co(Acetate)3- + 3 H+ + -llnl_gamma 4 + log_k -11.281 + -delta_H -48.2415 kJ/mol # Calculated enthalpy of reaction Co(Acetate)3- # Enthalpy of formation: -373.73 kcal/mol - -analytic 6.3384e+001 -4.0669e-003 -1.4715e+004 -1.9518e+001 2.1524e+006 -# -Range: 0-300 - -2.0000 HS- + 1.0000 Co++ = Co(HS)2 - -llnl_gamma 3.0 - log_k +9.0306 - -delta_H 0 # Not possible to calculate enthalpy of reaction Co(HS)2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Co++ = Co(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -18.8 - -delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)2 -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 Co++ = Co(OH)4-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -45.7803 - -delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)4-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 2.0000 Co++ = Co2OH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -11.2 - -delta_H 0 # Not possible to calculate enthalpy of reaction Co2OH+3 -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 4.0000 Co++ = Co4(OH)4++++ +4.0000 H+ - -llnl_gamma 5.5 - log_k -30.3803 - -delta_H 0 # Not possible to calculate enthalpy of reaction Co4(OH)4+4 -# Enthalpy of formation: -0 kcal/mol - -2.0000 Br- + 1.0000 Co++ = CoBr2 - -llnl_gamma 3.0 - log_k -0.0358 - -delta_H -0.56568 kJ/mol # Calculated enthalpy of reaction CoBr2 + -analytic 6.3384e+1 -4.0669e-3 -1.4715e+4 -1.9518e+1 2.1524e+6 +# -Range: 0-300 + +2 HS- + Co+2 = Co(HS)2 + -llnl_gamma 3 + log_k 9.0306 + -delta_H 0 # Not possible to calculate enthalpy of reaction Co(HS)2 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Co+2 = Co(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -18.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)2 +# Enthalpy of formation: -0 kcal/mol + +4 H2O + Co+2 = Co(OH)4-2 + 4 H+ + -llnl_gamma 4 + log_k -45.7803 + -delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)4-2 +# Enthalpy of formation: -0 kcal/mol + +H2O + 2 Co+2 = Co2OH+3 + H+ + -llnl_gamma 5 + log_k -11.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction Co2OH+3 +# Enthalpy of formation: -0 kcal/mol + +4 H2O + 4 Co+2 = Co4(OH)4+4 + 4 H+ + -llnl_gamma 5.5 + log_k -30.3803 + -delta_H 0 # Not possible to calculate enthalpy of reaction Co4(OH)4+4 +# Enthalpy of formation: -0 kcal/mol + +2 Br- + Co+2 = CoBr2 + -llnl_gamma 3 + log_k -0.0358 + -delta_H -0.56568 kJ/mol # Calculated enthalpy of reaction CoBr2 # Enthalpy of formation: -301.73 kJ/mol - -analytic 5.8731e+000 8.0908e-004 -1.8986e+002 -2.2295e+000 -3.2261e+000 + -analytic 5.8731e+0 8.0908e-4 -1.8986e+2 -2.2295e+0 -3.2261e+0 # -Range: 0-200 -1.0000 Co++ + 1.0000 HAcetate = CoAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.2985 - -delta_H -8.70272 kJ/mol # Calculated enthalpy of reaction CoAcetate+ +Co+2 + HAcetate = CoAcetate+ + H+ + -llnl_gamma 4 + log_k -3.2985 + -delta_H -8.70272 kJ/mol # Calculated enthalpy of reaction CoAcetate+ # Enthalpy of formation: -132.08 kcal/mol - -analytic -5.4858e+000 1.9147e-003 -1.1292e+003 9.0555e-001 2.8223e+005 + -analytic -5.4858e+0 1.9147e-3 -1.1292e+3 9.0555e-1 2.8223e+5 # -Range: 0-300 -1.0000 Co++ + 1.0000 Cl- = CoCl+ - -llnl_gamma 4.0 - log_k +0.1547 - -delta_H 1.71962 kJ/mol # Calculated enthalpy of reaction CoCl+ +Co+2 + Cl- = CoCl+ + -llnl_gamma 4 + log_k 0.1547 + -delta_H 1.71962 kJ/mol # Calculated enthalpy of reaction CoCl+ # Enthalpy of formation: -53.422 kcal/mol - -analytic 1.5234e+002 5.6958e-002 -3.3258e+003 -6.3849e+001 -5.1942e+001 + -analytic 1.5234e+2 5.6958e-2 -3.3258e+3 -6.3849e+1 -5.1942e+1 # -Range: 0-300 -1.0000 HS- + 1.0000 Co++ = CoHS+ - -llnl_gamma 4.0 - log_k +5.9813 - -delta_H 0 # Not possible to calculate enthalpy of reaction CoHS+ +HS- + Co+2 = CoHS+ + -llnl_gamma 4 + log_k 5.9813 + -delta_H 0 # Not possible to calculate enthalpy of reaction CoHS+ # Enthalpy of formation: -0 kcal/mol - -2.0000 I- + 1.0000 Co++ = CoI2 - -llnl_gamma 3.0 - log_k -0.0944 - -delta_H 3.1774 kJ/mol # Calculated enthalpy of reaction CoI2 + +2 I- + Co+2 = CoI2 + -llnl_gamma 3 + log_k -0.0944 + -delta_H 3.1774 kJ/mol # Calculated enthalpy of reaction CoI2 # Enthalpy of formation: -168.785 kJ/mol - -analytic 3.6029e+001 1.0128e-002 -1.1219e+003 -1.4301e+001 -1.9064e+001 + -analytic 3.6029e+1 1.0128e-2 -1.1219e+3 -1.4301e+1 -1.9064e+1 # -Range: 0-200 -1.0000 NO3- + 1.0000 Co++ = CoNO3+ - -llnl_gamma 4.0 - log_k +0.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction CoNO3+ +NO3- + Co+2 = CoNO3+ + -llnl_gamma 4 + log_k 0.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction CoNO3+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Co++ + S2O3-- = CoS2O3 - -llnl_gamma 3.0 - log_k 0.8063 - -delta_H 0 # Not possible to calculate enthalpy of reaction CoS2O3 + +Co+2 + S2O3-2 = CoS2O3 + -llnl_gamma 3 + log_k 0.8063 + -delta_H 0 # Not possible to calculate enthalpy of reaction CoS2O3 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Co++ = CoSO4 - -llnl_gamma 3.0 - log_k +0.0436 - -delta_H 0.3842 kJ/mol # Calculated enthalpy of reaction CoSO4 + +SO4-2 + Co+2 = CoSO4 + -llnl_gamma 3 + log_k 0.0436 + -delta_H 0.3842 kJ/mol # Calculated enthalpy of reaction CoSO4 # Enthalpy of formation: -967.375 kJ/mol - -analytic 2.4606e+000 1.0086e-003 -6.1450e+001 -1.0148e+000 -1.0444e+000 -# -Range: 0-200 - -1.0000 SeO4-- + 1.0000 Co++ = CoSeO4 - -llnl_gamma 3.0 - log_k +2.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction CoSeO4 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Cr+++ = Cr(OH)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -9.7 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)2+ -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Cr+++ = Cr(OH)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -18 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)3 -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 Cr+++ = Cr(OH)4- +4.0000 H+ - -llnl_gamma 4.0 - log_k -27.4 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)4- -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 2.0000 Cr+++ = Cr2(OH)2++++ +2.0000 H+ - -llnl_gamma 5.5 - log_k -5.06 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cr2(OH)2+4 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H+ + 2.0000 CrO4-- = Cr2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +14.5192 - -delta_H -13.8783 kJ/mol # Calculated enthalpy of reaction Cr2O7-2 + -analytic 2.4606e+0 1.0086e-3 -6.145e+1 -1.0148e+0 -1.0444e+0 +# -Range: 0-200 + +SeO4-2 + Co+2 = CoSeO4 + -llnl_gamma 3 + log_k 2.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction CoSeO4 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Cr+3 = Cr(OH)2+ + 2 H+ + -llnl_gamma 4 + log_k -9.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)2+ +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Cr+3 = Cr(OH)3 + 3 H+ + -llnl_gamma 3 + log_k -18 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)3 +# Enthalpy of formation: -0 kcal/mol + +4 H2O + Cr+3 = Cr(OH)4- + 4 H+ + -llnl_gamma 4 + log_k -27.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cr(OH)4- +# Enthalpy of formation: -0 kcal/mol + +2 H2O + 2 Cr+3 = Cr2(OH)2+4 + 2 H+ + -llnl_gamma 5.5 + log_k -5.06 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cr2(OH)2+4 +# Enthalpy of formation: -0 kcal/mol + +2 H+ + 2 CrO4-2 = Cr2O7-2 + H2O + -llnl_gamma 4 + log_k 14.5192 + -delta_H -13.8783 kJ/mol # Calculated enthalpy of reaction Cr2O7-2 # Enthalpy of formation: -356.2 kcal/mol - -analytic 1.3749e+002 6.5773e-002 -7.9472e+002 -5.6525e+001 -1.2441e+001 + -analytic 1.3749e+2 6.5773e-2 -7.9472e+2 -5.6525e+1 -1.2441e+1 # -Range: 0-300 -4.0000 H2O + 3.0000 Cr+++ = Cr3(OH)4+5 +4.0000 H+ - -llnl_gamma 6.0 - log_k -8.15 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cr3(OH)4+5 +4 H2O + 3 Cr+3 = Cr3(OH)4+5 + 4 H+ + -llnl_gamma 6 + log_k -8.15 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cr3(OH)4+5 # Enthalpy of formation: -0 kcal/mol - -1.0000 Cr+++ + 1.0000 Br- = CrBr++ - -llnl_gamma 4.5 - log_k -2.7813 - -delta_H 33.564 kJ/mol # Calculated enthalpy of reaction CrBr+2 + +Cr+3 + Br- = CrBr+2 + -llnl_gamma 4.5 + log_k -2.7813 + -delta_H 33.564 kJ/mol # Calculated enthalpy of reaction CrBr+2 # Enthalpy of formation: -78.018 kcal/mol - -analytic 9.4384e+001 3.4704e-002 -3.6750e+003 -3.8461e+001 -5.7373e+001 + -analytic 9.4384e+1 3.4704e-2 -3.675e+3 -3.8461e+1 -5.7373e+1 # -Range: 0-300 -1.0000 Cr+++ + 1.0000 Cl- = CrCl++ - -llnl_gamma 4.5 - log_k -0.149 - -delta_H 0 # Not possible to calculate enthalpy of reaction CrCl+2 +Cr+3 + Cl- = CrCl+2 + -llnl_gamma 4.5 + log_k -0.149 + -delta_H 0 # Not possible to calculate enthalpy of reaction CrCl+2 # Enthalpy of formation: -0 kcal/mol - -2.0000 Cl- + 1.0000 Cr+++ = CrCl2+ - -llnl_gamma 4.0 - log_k +0.1596 - -delta_H 41.2919 kJ/mol # Calculated enthalpy of reaction CrCl2+ + +2 Cl- + Cr+3 = CrCl2+ + -llnl_gamma 4 + log_k 0.1596 + -delta_H 41.2919 kJ/mol # Calculated enthalpy of reaction CrCl2+ # Enthalpy of formation: -126.997 kcal/mol - -analytic 2.0114e+002 7.3878e-002 -6.2218e+003 -8.1677e+001 -9.7144e+001 + -analytic 2.0114e+2 7.3878e-2 -6.2218e+3 -8.1677e+1 -9.7144e+1 # -Range: 0-300 -1.0000 Cl- + 2.000 H+ + 1.0000 CrO4-- = CrO3Cl- + 1.0000 H2O - -llnl_gamma 4.0 - log_k 7.5270 - -delta_H 0 # Not possible to calculate enthalpy of reaction CrO3Cl- +Cl- + 2 H+ + CrO4-2 = CrO3Cl- + H2O + -llnl_gamma 4 + log_k 7.527 + -delta_H 0 # Not possible to calculate enthalpy of reaction CrO3Cl- # Enthalpy of formation: -0 kcal/mol - -analytic 2.7423e+002 1.0013e-001 -6.0072e+003 -1.1168e+002 -9.3817e+001 + -analytic 2.7423e+2 1.0013e-1 -6.0072e+3 -1.1168e+2 -9.3817e+1 # -Range: 0-300 -1.0000 H2O + 1.0000 Cr+++ = CrOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -4 - -delta_H 0 # Not possible to calculate enthalpy of reaction CrOH+2 +H2O + Cr+3 = CrOH+2 + H+ + -llnl_gamma 4.5 + log_k -4 + -delta_H 0 # Not possible to calculate enthalpy of reaction CrOH+2 # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Cs+ = Cs(Acetate)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -9.771 - -delta_H 1.2552 kJ/mol # Calculated enthalpy of reaction Cs(Acetate)2- + +2 HAcetate + Cs+ = Cs(Acetate)2- + 2 H+ + -llnl_gamma 4 + log_k -9.771 + -delta_H 1.2552 kJ/mol # Calculated enthalpy of reaction Cs(Acetate)2- # Enthalpy of formation: -293.57 kcal/mol - -analytic -1.6956e+002 -4.0378e-002 4.5773e+003 6.3241e+001 7.1475e+001 + -analytic -1.6956e+2 -4.0378e-2 4.5773e+3 6.3241e+1 7.1475e+1 # -Range: 0-300 -1.0000 Cs+ + 1.0000 Br- = CsBr - -llnl_gamma 3.0 - log_k -0.2712 - -delta_H 10.9621 kJ/mol # Calculated enthalpy of reaction CsBr +Cs+ + Br- = CsBr + -llnl_gamma 3 + log_k -0.2712 + -delta_H 10.9621 kJ/mol # Calculated enthalpy of reaction CsBr # Enthalpy of formation: -88.09 kcal/mol - -analytic 1.2064e+002 3.2000e-002 -3.8770e+003 -4.7458e+001 -6.0533e+001 + -analytic 1.2064e+2 3.2e-2 -3.877e+3 -4.7458e+1 -6.0533e+1 # -Range: 0-300 -1.0000 Cs+ + 1.0000 HAcetate = CsAcetate +1.0000 H+ - -llnl_gamma 3.0 - log_k -4.7352 - -delta_H 6.0668 kJ/mol # Calculated enthalpy of reaction CsAcetate +Cs+ + HAcetate = CsAcetate + H+ + -llnl_gamma 3 + log_k -4.7352 + -delta_H 6.0668 kJ/mol # Calculated enthalpy of reaction CsAcetate # Enthalpy of formation: -176.32 kcal/mol - -analytic 2.4280e+001 -2.8642e-003 -3.1339e+003 -8.1616e+000 2.2684e+005 + -analytic 2.428e+1 -2.8642e-3 -3.1339e+3 -8.1616e+0 2.2684e+5 # -Range: 0-300 -1.0000 Cs+ + 1.0000 Cl- = CsCl - -llnl_gamma 3.0 - log_k -0.1385 - -delta_H 2.73215 kJ/mol # Calculated enthalpy of reaction CsCl +Cs+ + Cl- = CsCl + -llnl_gamma 3 + log_k -0.1385 + -delta_H 2.73215 kJ/mol # Calculated enthalpy of reaction CsCl # Enthalpy of formation: -100.95 kcal/mol - -analytic 1.2472e+002 3.3730e-002 -3.9130e+003 -4.9212e+001 -6.1096e+001 + -analytic 1.2472e+2 3.373e-2 -3.913e+3 -4.9212e+1 -6.1096e+1 # -Range: 0-300 -1.0000 I- + 1.0000 Cs+ = CsI - -llnl_gamma 3.0 - log_k +0.2639 - -delta_H -6.56888 kJ/mol # Calculated enthalpy of reaction CsI +I- + Cs+ = CsI + -llnl_gamma 3 + log_k 0.2639 + -delta_H -6.56888 kJ/mol # Calculated enthalpy of reaction CsI # Enthalpy of formation: -76.84 kcal/mol - -analytic 1.1555e+002 3.1419e-002 -3.3496e+003 -4.5828e+001 -5.2302e+001 + -analytic 1.1555e+2 3.1419e-2 -3.3496e+3 -4.5828e+1 -5.2302e+1 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Cu++ = Cu(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -5.8824 - -delta_H -25.899 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)2 +2 HAcetate + Cu+2 = Cu(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -5.8824 + -delta_H -25.899 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)2 # Enthalpy of formation: -222.69 kcal/mol - -analytic -2.6689e+001 1.8048e-003 -1.8244e+003 7.7008e+000 6.5408e+005 + -analytic -2.6689e+1 1.8048e-3 -1.8244e+3 7.7008e+0 6.5408e+5 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Cu+ = Cu(Acetate)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -9.2139 - -delta_H -19.5476 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)2- +2 HAcetate + Cu+ = Cu(Acetate)2- + 2 H+ + -llnl_gamma 4 + log_k -9.2139 + -delta_H -19.5476 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)2- # Enthalpy of formation: -219.74 kcal/mol - -analytic -3.2712e+002 -5.9087e-002 1.1386e+004 1.2017e+002 1.7777e+002 + -analytic -3.2712e+2 -5.9087e-2 1.1386e+4 1.2017e+2 1.7777e+2 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Cu++ = Cu(Acetate)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -9.3788 - -delta_H -53.2205 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)3- +3 HAcetate + Cu+2 = Cu(Acetate)3- + 3 H+ + -llnl_gamma 4 + log_k -9.3788 + -delta_H -53.2205 kJ/mol # Calculated enthalpy of reaction Cu(Acetate)3- # Enthalpy of formation: -345.32 kcal/mol - -analytic 3.9475e+001 -6.2867e-003 -1.3233e+004 -1.0643e+001 2.1121e+006 + -analytic 3.9475e+1 -6.2867e-3 -1.3233e+4 -1.0643e+1 2.1121e+6 # -Range: 0-300 -2.0000 HCO3- + 1.0000 Cu++ = Cu(CO3)2-- +2.0000 H+ - -llnl_gamma 4.0 - log_k -10.4757 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cu(CO3)2-2 +2 HCO3- + Cu+2 = Cu(CO3)2-2 + 2 H+ + -llnl_gamma 4 + log_k -10.4757 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cu(CO3)2-2 # Enthalpy of formation: -0 kcal/mol - -2.0000 NH3 + 1.0000 Cu++ = Cu(NH3)2++ - -llnl_gamma 4.5 - log_k +7.4512 - -delta_H -45.1269 kJ/mol # Calculated enthalpy of reaction Cu(NH3)2+2 + +2 NH3 + Cu+2 = Cu(NH3)2+2 + -llnl_gamma 4.5 + log_k 7.4512 + -delta_H -45.1269 kJ/mol # Calculated enthalpy of reaction Cu(NH3)2+2 # Enthalpy of formation: -142.112 kJ/mol - -analytic 1.1526e+002 4.8192e-003 -2.5139e+003 -4.0733e+001 -3.9261e+001 + -analytic 1.1526e+2 4.8192e-3 -2.5139e+3 -4.0733e+1 -3.9261e+1 # -Range: 0-300 -3.0000 NH3 + 1.0000 Cu++ = Cu(NH3)3++ - -llnl_gamma 4.5 - log_k +10.2719 - -delta_H -67.2779 kJ/mol # Calculated enthalpy of reaction Cu(NH3)3+2 +3 NH3 + Cu+2 = Cu(NH3)3+2 + -llnl_gamma 4.5 + log_k 10.2719 + -delta_H -67.2779 kJ/mol # Calculated enthalpy of reaction Cu(NH3)3+2 # Enthalpy of formation: -245.6 kJ/mol - -analytic 1.3945e+002 -3.8236e-004 -2.8137e+003 -4.8336e+001 -4.3946e+001 + -analytic 1.3945e+2 -3.8236e-4 -2.8137e+3 -4.8336e+1 -4.3946e+1 # -Range: 0-300 -2.0000 NO2- + 1.0000 Cu++ = Cu(NO2)2 - -llnl_gamma 3.0 - log_k +3.0300 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cu(NO2)2 +2 NO2- + Cu+2 = Cu(NO2)2 + -llnl_gamma 3 + log_k 3.03 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cu(NO2)2 # Enthalpy of formation: -0 kcal/mol - -1.0000 Cu+ + 1.0000 HAcetate = CuAcetate +1.0000 H+ - -llnl_gamma 3.0 - log_k -4.4274 - -delta_H -4.19237 kJ/mol # Calculated enthalpy of reaction CuAcetate + +Cu+ + HAcetate = CuAcetate + H+ + -llnl_gamma 3 + log_k -4.4274 + -delta_H -4.19237 kJ/mol # Calculated enthalpy of reaction CuAcetate # Enthalpy of formation: -99.97 kcal/mol - -analytic 6.3784e+000 -4.5464e-004 -1.9995e+003 -2.8359e+000 2.7224e+005 + -analytic 6.3784e+0 -4.5464e-4 -1.9995e+3 -2.8359e+0 2.7224e+5 # -Range: 0-300 -1.0000 Cu++ + 1.0000 HAcetate = CuAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.5252 - -delta_H -11.3805 kJ/mol # Calculated enthalpy of reaction CuAcetate+ +Cu+2 + HAcetate = CuAcetate+ + H+ + -llnl_gamma 4 + log_k -2.5252 + -delta_H -11.3805 kJ/mol # Calculated enthalpy of reaction CuAcetate+ # Enthalpy of formation: -103.12 kcal/mol - -analytic -1.4930e+001 5.1278e-004 -3.4874e+002 4.3605e+000 2.3504e+005 -# -Range: 0-300 - -2.0000 H2O + 1.0000 HCO3- + 1.0000 Cu++ = CuCO3(OH)2-- +3.0000 H+ - -llnl_gamma 4.0 - log_k -23.444 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuCO3(OH)2-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 HCO3- + 1.0000 Cu++ = CuCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -3.3735 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuCO3 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Cu++ + 1.0000 Cl- = CuCl+ - -llnl_gamma 4.0 - log_k +0.4370 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 Cl- + 1.0000 Cu++ = CuCl2 - -llnl_gamma 3.0 - log_k +0.1585 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 Cl- + 1.0000 Cu+ = CuCl2- - -llnl_gamma 4.0 - log_k +4.8212 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl2- -# Enthalpy of formation: -0 kcal/mol - -3.0000 Cl- + 1.0000 Cu+ = CuCl3-- - -llnl_gamma 4.0 - log_k +5.6289 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl3-2 -# Enthalpy of formation: -0 kcal/mol - -4.0000 Cl- + 1.0000 Cu++ = CuCl4-- - -llnl_gamma 4.0 - log_k -4.5681 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl4-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 F- + 1.0000 Cu++ = CuF+ - -llnl_gamma 4.0 - log_k +1.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuF+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Cu++ = CuH2PO4+ - -llnl_gamma 4.0 - log_k +8.9654 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuH2PO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 Cu++ = CuHPO4 - -llnl_gamma 3.0 - log_k +4.0600 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuHPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 NH3 + 1.0000 Cu++ = CuNH3++ - -llnl_gamma 4.5 - log_k +4.0400 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuNH3+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 NO2- + 1.0000 Cu++ = CuNO2+ - -llnl_gamma 4.0 - log_k +2.0200 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuNO2+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Cu++ = CuO2-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -39.4497 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuO2-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Cu++ = CuOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -7.2875 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuOH+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 Cu++ = CuPO4- +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.4718 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuPO4- -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Cu++ = CuSO4 - -llnl_gamma 0.0 - log_k +2.3600 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuSO4 -# Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Dy+++ = Dy(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.9625 - -delta_H -29.3298 kJ/mol # Calculated enthalpy of reaction Dy(Acetate)2+ -# Enthalpy of formation: -405.71 kcal/mol - -analytic -2.7249e+001 2.7507e-003 -1.7500e+003 7.9356e+000 6.8668e+005 + -analytic -1.493e+1 5.1278e-4 -3.4874e+2 4.3605e+0 2.3504e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Dy+++ = Dy(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.3489 - -delta_H -49.4549 kJ/mol # Calculated enthalpy of reaction Dy(Acetate)3 -# Enthalpy of formation: -526.62 kcal/mol - -analytic -2.4199e+001 6.2065e-003 -2.8937e+003 5.0176e+000 1.0069e+006 -# -Range: 0-300 +2 H2O + HCO3- + Cu+2 = CuCO3(OH)2-2 + 3 H+ + -llnl_gamma 4 + log_k -23.444 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuCO3(OH)2-2 +# Enthalpy of formation: -0 kcal/mol -2.0000 HCO3- + 1.0000 Dy+++ = Dy(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.4576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(CO3)2- +HCO3- + Cu+2 = CuCO3 + H+ + -llnl_gamma 3 + log_k -3.3735 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuCO3 # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Dy+++ = Dy(HPO4)2- - -llnl_gamma 4.0 - log_k +9.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(HPO4)2- + +Cu+2 + Cl- = CuCl+ + -llnl_gamma 4 + log_k 0.437 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl+ # Enthalpy of formation: -0 kcal/mol - -# Redundant with DyO2- -#4.0000 H2O + 1.0000 Dy+++ = Dy(OH)4- +4.0000 H+ -# -llnl_gamma 4.0 -# log_k -33.4803 -# -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)4- + +2 Cl- + Cu+2 = CuCl2 + -llnl_gamma 3 + log_k 0.1585 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl2 # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Dy+++ = Dy(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.4437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Dy+++ = Dy(SO4)2- - -llnl_gamma 4.0 - log_k +5.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Dy+++ + 1.0000 HAcetate = DyAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.1037 - -delta_H -14.8532 kJ/mol # Calculated enthalpy of reaction DyAcetate+2 -# Enthalpy of formation: -286.15 kcal/mol - -analytic -1.3635e+001 1.7329e-003 -9.4636e+002 4.0900e+000 3.6282e+005 -# -Range: 0-300 -1.0000 HCO3- + 1.0000 Dy+++ = DyCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.3324 - -delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction DyCO3+ -# Enthalpy of formation: -310.1 kcal/mol - -analytic 2.3742e+002 5.4342e-002 -6.9953e+003 -9.3949e+001 -1.0922e+002 -# -Range: 0-300 +2 Cl- + Cu+ = CuCl2- + -llnl_gamma 4 + log_k 4.8212 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl2- +# Enthalpy of formation: -0 kcal/mol + +3 Cl- + Cu+ = CuCl3-2 + -llnl_gamma 4 + log_k 5.6289 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl3-2 +# Enthalpy of formation: -0 kcal/mol + +4 Cl- + Cu+2 = CuCl4-2 + -llnl_gamma 4 + log_k -4.5681 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuCl4-2 +# Enthalpy of formation: -0 kcal/mol + +F- + Cu+2 = CuF+ + -llnl_gamma 4 + log_k 1.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuF+ +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + H+ + Cu+2 = CuH2PO4+ + -llnl_gamma 4 + log_k 8.9654 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuH2PO4+ +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + Cu+2 = CuHPO4 + -llnl_gamma 3 + log_k 4.06 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuHPO4 +# Enthalpy of formation: -0 kcal/mol + +NH3 + Cu+2 = CuNH3+2 + -llnl_gamma 4.5 + log_k 4.04 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuNH3+2 +# Enthalpy of formation: -0 kcal/mol + +NO2- + Cu+2 = CuNO2+ + -llnl_gamma 4 + log_k 2.02 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuNO2+ +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Cu+2 = CuO2-2 + 4 H+ + -llnl_gamma 4 + log_k -39.4497 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuO2-2 +# Enthalpy of formation: -0 kcal/mol + +H2O + Cu+2 = CuOH+ + H+ + -llnl_gamma 4 + log_k -7.2875 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuOH+ +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + Cu+2 = CuPO4- + H+ + -llnl_gamma 4 + log_k -2.4718 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuPO4- +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Cu+2 = CuSO4 + -llnl_gamma 0 + log_k 2.36 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuSO4 +# Enthalpy of formation: -0 kcal/mol + +2 HAcetate + Dy+3 = Dy(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.9625 + -delta_H -29.3298 kJ/mol # Calculated enthalpy of reaction Dy(Acetate)2+ +# Enthalpy of formation: -405.71 kcal/mol + -analytic -2.7249e+1 2.7507e-3 -1.75e+3 7.9356e+0 6.8668e+5 +# -Range: 0-300 + +3 HAcetate + Dy+3 = Dy(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.3489 + -delta_H -49.4549 kJ/mol # Calculated enthalpy of reaction Dy(Acetate)3 +# Enthalpy of formation: -526.62 kcal/mol + -analytic -2.4199e+1 6.2065e-3 -2.8937e+3 5.0176e+0 1.0069e+6 +# -Range: 0-300 + +2 HCO3- + Dy+3 = Dy(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.4576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(CO3)2- +# Enthalpy of formation: -0 kcal/mol -1.0000 Dy+++ + 1.0000 Cl- = DyCl++ - -llnl_gamma 4.5 - log_k +0.2353 - -delta_H 13.5269 kJ/mol # Calculated enthalpy of reaction DyCl+2 +2 HPO4-2 + Dy+3 = Dy(HPO4)2- + -llnl_gamma 4 + log_k 9.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +# Redundant with DyO2- +#4.0000 H2O + 1.0000 Dy+++ = Dy(OH)4- +4.0000 H+ +# -llnl_gamma 4.0 +# log_k -33.4803 +# -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)4- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Dy+3 = Dy(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -3.4437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Dy+3 = Dy(SO4)2- + -llnl_gamma 4 + log_k 5 + -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Dy+3 + HAcetate = DyAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.1037 + -delta_H -14.8532 kJ/mol # Calculated enthalpy of reaction DyAcetate+2 +# Enthalpy of formation: -286.15 kcal/mol + -analytic -1.3635e+1 1.7329e-3 -9.4636e+2 4.09e+0 3.6282e+5 +# -Range: 0-300 + +HCO3- + Dy+3 = DyCO3+ + H+ + -llnl_gamma 4 + log_k -2.3324 + -delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction DyCO3+ +# Enthalpy of formation: -310.1 kcal/mol + -analytic 2.3742e+2 5.4342e-2 -6.9953e+3 -9.3949e+1 -1.0922e+2 +# -Range: 0-300 + +Dy+3 + Cl- = DyCl+2 + -llnl_gamma 4.5 + log_k 0.2353 + -delta_H 13.5269 kJ/mol # Calculated enthalpy of reaction DyCl+2 # Enthalpy of formation: -203.2 kcal/mol - -analytic 6.9134e+001 3.7129e-002 -1.3839e+003 -3.0432e+001 -2.1615e+001 + -analytic 6.9134e+1 3.7129e-2 -1.3839e+3 -3.0432e+1 -2.1615e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Dy+++ = DyCl2+ - -llnl_gamma 4.0 - log_k -0.0425 - -delta_H 17.4305 kJ/mol # Calculated enthalpy of reaction DyCl2+ +2 Cl- + Dy+3 = DyCl2+ + -llnl_gamma 4 + log_k -0.0425 + -delta_H 17.4305 kJ/mol # Calculated enthalpy of reaction DyCl2+ # Enthalpy of formation: -242.2 kcal/mol - -analytic 1.8868e+002 7.7901e-002 -4.3528e+003 -7.9735e+001 -6.7978e+001 + -analytic 1.8868e+2 7.7901e-2 -4.3528e+3 -7.9735e+1 -6.7978e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Dy+++ = DyCl3 - -llnl_gamma 3.0 - log_k -0.4669 - -delta_H 8.78222 kJ/mol # Calculated enthalpy of reaction DyCl3 +3 Cl- + Dy+3 = DyCl3 + -llnl_gamma 3 + log_k -0.4669 + -delta_H 8.78222 kJ/mol # Calculated enthalpy of reaction DyCl3 # Enthalpy of formation: -284.2 kcal/mol - -analytic 3.6761e+002 1.2471e-001 -9.0651e+003 -1.5147e+002 -1.4156e+002 + -analytic 3.6761e+2 1.2471e-1 -9.0651e+3 -1.5147e+2 -1.4156e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Dy+++ = DyCl4- - -llnl_gamma 4.0 - log_k -0.8913 - -delta_H -14.0917 kJ/mol # Calculated enthalpy of reaction DyCl4- +4 Cl- + Dy+3 = DyCl4- + -llnl_gamma 4 + log_k -0.8913 + -delta_H -14.0917 kJ/mol # Calculated enthalpy of reaction DyCl4- # Enthalpy of formation: -329.6 kcal/mol - -analytic 3.9134e+002 1.2288e-001 -9.2351e+003 -1.6078e+002 -1.4422e+002 + -analytic 3.9134e+2 1.2288e-1 -9.2351e+3 -1.6078e+2 -1.4422e+2 # -Range: 0-300 -1.0000 F- + 1.0000 Dy+++ = DyF++ - -llnl_gamma 4.5 - log_k +4.6619 - -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction DyF+2 +F- + Dy+3 = DyF+2 + -llnl_gamma 4.5 + log_k 4.6619 + -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction DyF+2 # Enthalpy of formation: -241.1 kcal/mol - -analytic 9.1120e+001 4.1193e-002 -2.3302e+003 -3.6734e+001 -3.6388e+001 + -analytic 9.112e+1 4.1193e-2 -2.3302e+3 -3.6734e+1 -3.6388e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Dy+++ = DyF2+ - -llnl_gamma 4.0 - log_k +8.1510 - -delta_H 12.552 kJ/mol # Calculated enthalpy of reaction DyF2+ +2 F- + Dy+3 = DyF2+ + -llnl_gamma 4 + log_k 8.151 + -delta_H 12.552 kJ/mol # Calculated enthalpy of reaction DyF2+ # Enthalpy of formation: -323.8 kcal/mol - -analytic 2.1325e+002 8.2483e-002 -4.5864e+003 -8.6587e+001 -7.1629e+001 + -analytic 2.1325e+2 8.2483e-2 -4.5864e+3 -8.6587e+1 -7.1629e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Dy+++ = DyF3 - -llnl_gamma 3.0 - log_k +10.7605 - -delta_H -11.9244 kJ/mol # Calculated enthalpy of reaction DyF3 +3 F- + Dy+3 = DyF3 + -llnl_gamma 3 + log_k 10.7605 + -delta_H -11.9244 kJ/mol # Calculated enthalpy of reaction DyF3 # Enthalpy of formation: -409.8 kcal/mol - -analytic 3.9766e+002 1.3143e-001 -8.5607e+003 -1.6056e+002 -1.3370e+002 + -analytic 3.9766e+2 1.3143e-1 -8.5607e+3 -1.6056e+2 -1.337e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Dy+++ = DyF4- - -llnl_gamma 4.0 - log_k +12.8569 - -delta_H -57.3208 kJ/mol # Calculated enthalpy of reaction DyF4- +4 F- + Dy+3 = DyF4- + -llnl_gamma 4 + log_k 12.8569 + -delta_H -57.3208 kJ/mol # Calculated enthalpy of reaction DyF4- # Enthalpy of formation: -500.8 kcal/mol - -analytic 4.1672e+002 1.2922e-001 -7.4445e+003 -1.6867e+002 -1.1629e+002 + -analytic 4.1672e+2 1.2922e-1 -7.4445e+3 -1.6867e+2 -1.1629e+2 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Dy+++ = DyH2PO4++ - -llnl_gamma 4.5 - log_k +9.3751 - -delta_H -18.3468 kJ/mol # Calculated enthalpy of reaction DyH2PO4+2 +HPO4-2 + H+ + Dy+3 = DyH2PO4+2 + -llnl_gamma 4.5 + log_k 9.3751 + -delta_H -18.3468 kJ/mol # Calculated enthalpy of reaction DyH2PO4+2 # Enthalpy of formation: -479.7 kcal/mol - -analytic 9.8183e+001 6.2578e-002 7.1784e+002 -4.4383e+001 1.1172e+001 + -analytic 9.8183e+1 6.2578e-2 7.1784e+2 -4.4383e+1 1.1172e+1 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Dy+++ = DyHCO3++ - -llnl_gamma 4.5 - log_k +1.6991 - -delta_H 7.10443 kJ/mol # Calculated enthalpy of reaction DyHCO3+2 +HCO3- + Dy+3 = DyHCO3+2 + -llnl_gamma 4.5 + log_k 1.6991 + -delta_H 7.10443 kJ/mol # Calculated enthalpy of reaction DyHCO3+2 # Enthalpy of formation: -329.7 kcal/mol - -analytic 2.8465e+001 3.0703e-002 3.9229e+002 -1.5036e+001 6.1127e+000 + -analytic 2.8465e+1 3.0703e-2 3.9229e+2 -1.5036e+1 6.1127e+0 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 Dy+++ = DyHPO4+ - -llnl_gamma 4.0 - log_k +5.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction DyHPO4+ +HPO4-2 + Dy+3 = DyHPO4+ + -llnl_gamma 4 + log_k 5.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction DyHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 Dy+++ = DyNO3++ - -llnl_gamma 4.5 - log_k +0.1415 - -delta_H -30.4219 kJ/mol # Calculated enthalpy of reaction DyNO3+2 + +NO3- + Dy+3 = DyNO3+2 + -llnl_gamma 4.5 + log_k 0.1415 + -delta_H -30.4219 kJ/mol # Calculated enthalpy of reaction DyNO3+2 # Enthalpy of formation: -223.2 kcal/mol - -analytic 6.4353e+000 2.4556e-002 2.5866e+003 -8.9975e+000 4.0359e+001 + -analytic 6.4353e+0 2.4556e-2 2.5866e+3 -8.9975e+0 4.0359e+1 # -Range: 0-300 -1.0000 H2O + 1.0000 Dy+++ = DyO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -16.1171 - -delta_H 108.018 kJ/mol # Calculated enthalpy of reaction DyO+ +H2O + Dy+3 = DyO+ + 2 H+ + -llnl_gamma 4 + log_k -16.1171 + -delta_H 108.018 kJ/mol # Calculated enthalpy of reaction DyO+ # Enthalpy of formation: -209 kcal/mol - -analytic 1.9069e+002 3.0358e-002 -1.3796e+004 -6.8532e+001 -2.1532e+002 + -analytic 1.9069e+2 3.0358e-2 -1.3796e+4 -6.8532e+1 -2.1532e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Dy+++ = DyO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -33.4804 - -delta_H 273.776 kJ/mol # Calculated enthalpy of reaction DyO2- +2 H2O + Dy+3 = DyO2- + 4 H+ + -llnl_gamma 4 + log_k -33.4804 + -delta_H 273.776 kJ/mol # Calculated enthalpy of reaction DyO2- # Enthalpy of formation: -237.7 kcal/mol - -analytic 7.7395e+001 4.4204e-004 -1.3570e+004 -2.4546e+001 -4.2320e+005 + -analytic 7.7395e+1 4.4204e-4 -1.357e+4 -2.4546e+1 -4.232e+5 # -Range: 0-300 -2.0000 H2O + 1.0000 Dy+++ = DyO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -24.8309 - -delta_H 217.71 kJ/mol # Calculated enthalpy of reaction DyO2H +2 H2O + Dy+3 = DyO2H + 3 H+ + -llnl_gamma 3 + log_k -24.8309 + -delta_H 217.71 kJ/mol # Calculated enthalpy of reaction DyO2H # Enthalpy of formation: -251.1 kcal/mol - -analytic 3.3576e+002 4.6004e-002 -2.2868e+004 -1.2027e+002 -3.5693e+002 + -analytic 3.3576e+2 4.6004e-2 -2.2868e+4 -1.2027e+2 -3.5693e+2 # -Range: 0-300 -1.0000 H2O + 1.0000 Dy+++ = DyOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.8342 - -delta_H 76.6383 kJ/mol # Calculated enthalpy of reaction DyOH+2 +H2O + Dy+3 = DyOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.8342 + -delta_H 76.6383 kJ/mol # Calculated enthalpy of reaction DyOH+2 # Enthalpy of formation: -216.5 kcal/mol - -analytic 7.0856e+001 1.2473e-002 -6.2419e+003 -2.4841e+001 -9.7420e+001 + -analytic 7.0856e+1 1.2473e-2 -6.2419e+3 -2.4841e+1 -9.742e+1 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 Dy+++ = DyPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k +0.1782 - -delta_H 0 # Not possible to calculate enthalpy of reaction DyPO4 +HPO4-2 + Dy+3 = DyPO4 + H+ + -llnl_gamma 3 + log_k 0.1782 + -delta_H 0 # Not possible to calculate enthalpy of reaction DyPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Dy+++ = DySO4+ - -llnl_gamma 4.0 - log_k +3.6430 - -delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction DySO4+ + +SO4-2 + Dy+3 = DySO4+ + -llnl_gamma 4 + log_k 3.643 + -delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction DySO4+ # Enthalpy of formation: -379 kcal/mol - -analytic 3.0672e+002 8.6459e-002 -9.0386e+003 -1.2063e+002 -1.4113e+002 + -analytic 3.0672e+2 8.6459e-2 -9.0386e+3 -1.2063e+2 -1.4113e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Er+++ = Er(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.9844 - -delta_H -32.8026 kJ/mol # Calculated enthalpy of reaction Er(Acetate)2+ +2 HAcetate + Er+3 = Er(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.9844 + -delta_H -32.8026 kJ/mol # Calculated enthalpy of reaction Er(Acetate)2+ # Enthalpy of formation: -408.54 kcal/mol - -analytic -3.1458e+001 1.4715e-003 -1.0556e+003 9.1586e+000 6.1669e+005 + -analytic -3.1458e+1 1.4715e-3 -1.0556e+3 9.1586e+0 6.1669e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Er+++ = Er(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.3783 - -delta_H -55.187 kJ/mol # Calculated enthalpy of reaction Er(Acetate)3 +3 HAcetate + Er+3 = Er(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.3783 + -delta_H -55.187 kJ/mol # Calculated enthalpy of reaction Er(Acetate)3 # Enthalpy of formation: -529.99 kcal/mol - -analytic -2.1575e+001 5.9740e-003 -2.0489e+003 3.3624e+000 8.8933e+005 + -analytic -2.1575e+1 5.974e-3 -2.0489e+3 3.3624e+0 8.8933e+5 # -Range: 0-300 -2.0000 HCO3- + 1.0000 Er+++ = Er(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.2576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Er(CO3)2- +2 HCO3- + Er+3 = Er(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.2576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Er(CO3)2- # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Er+++ = Er(HPO4)2- - -llnl_gamma 4.0 - log_k +10.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Er(HPO4)2- + +2 HPO4-2 + Er+3 = Er(HPO4)2- + -llnl_gamma 4 + log_k 10 + -delta_H 0 # Not possible to calculate enthalpy of reaction Er(HPO4)2- # Enthalpy of formation: -0 kcal/mol - + # Redundant with ErO2- #4.0000 H2O + 1.0000 Er+++ = Er(OH)4- +4.0000 H+ -# -llnl_gamma 4.0 +# -llnl_gamma 4.0 # log_k -32.5803 # -delta_H 0 # Not possible to calculate enthalpy of reaction Er(OH)4- # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Er+++ = Er(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.2437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Er(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Er+++ = Er(SO4)2- - -llnl_gamma 4.0 - log_k +5.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Er(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Er+++ + 1.0000 HAcetate = ErAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.1184 - -delta_H -16.4013 kJ/mol # Calculated enthalpy of reaction ErAcetate+2 + +2 HPO4-2 + Er+3 = Er(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -3.2437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Er(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Er+3 = Er(SO4)2- + -llnl_gamma 4 + log_k 5 + -delta_H 0 # Not possible to calculate enthalpy of reaction Er(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Er+3 + HAcetate = ErAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.1184 + -delta_H -16.4013 kJ/mol # Calculated enthalpy of reaction ErAcetate+2 # Enthalpy of formation: -288.52 kcal/mol - -analytic -1.2519e+001 1.5558e-003 -8.5344e+002 3.5918e+000 3.4888e+005 + -analytic -1.2519e+1 1.5558e-3 -8.5344e+2 3.5918e+0 3.4888e+5 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Er+++ = ErCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.1858 - -delta_H 87.0188 kJ/mol # Calculated enthalpy of reaction ErCO3+ +HCO3- + Er+3 = ErCO3+ + H+ + -llnl_gamma 4 + log_k -2.1858 + -delta_H 87.0188 kJ/mol # Calculated enthalpy of reaction ErCO3+ # Enthalpy of formation: -312.6 kcal/mol - -analytic 2.3838e+002 5.4549e-002 -6.9433e+003 -9.4373e+001 -1.0841e+002 + -analytic 2.3838e+2 5.4549e-2 -6.9433e+3 -9.4373e+1 -1.0841e+2 # -Range: 0-300 -1.0000 Er+++ + 1.0000 Cl- = ErCl++ - -llnl_gamma 4.5 - log_k +0.3086 - -delta_H 12.6901 kJ/mol # Calculated enthalpy of reaction ErCl+2 +Er+3 + Cl- = ErCl+2 + -llnl_gamma 4.5 + log_k 0.3086 + -delta_H 12.6901 kJ/mol # Calculated enthalpy of reaction ErCl+2 # Enthalpy of formation: -205.4 kcal/mol - -analytic 7.4113e+001 3.7462e-002 -1.5300e+003 -3.2257e+001 -2.3896e+001 + -analytic 7.4113e+1 3.7462e-2 -1.53e+3 -3.2257e+1 -2.3896e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Er+++ = ErCl2+ - -llnl_gamma 4.0 - log_k -0.0425 - -delta_H 15.3385 kJ/mol # Calculated enthalpy of reaction ErCl2+ +2 Cl- + Er+3 = ErCl2+ + -llnl_gamma 4 + log_k -0.0425 + -delta_H 15.3385 kJ/mol # Calculated enthalpy of reaction ErCl2+ # Enthalpy of formation: -244.7 kcal/mol - -analytic 2.0259e+002 7.8907e-002 -4.8271e+003 -8.4835e+001 -7.5382e+001 + -analytic 2.0259e+2 7.8907e-2 -4.8271e+3 -8.4835e+1 -7.5382e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Er+++ = ErCl3 - -llnl_gamma 3.0 - log_k -0.4669 - -delta_H 5.01662 kJ/mol # Calculated enthalpy of reaction ErCl3 +3 Cl- + Er+3 = ErCl3 + -llnl_gamma 3 + log_k -0.4669 + -delta_H 5.01662 kJ/mol # Calculated enthalpy of reaction ErCl3 # Enthalpy of formation: -287.1 kcal/mol - -analytic 3.9721e+002 1.2757e-001 -1.0045e+004 -1.6244e+002 -1.5686e+002 + -analytic 3.9721e+2 1.2757e-1 -1.0045e+4 -1.6244e+2 -1.5686e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Er+++ = ErCl4- - -llnl_gamma 4.0 - log_k -0.8913 - -delta_H -20.7861 kJ/mol # Calculated enthalpy of reaction ErCl4- +4 Cl- + Er+3 = ErCl4- + -llnl_gamma 4 + log_k -0.8913 + -delta_H -20.7861 kJ/mol # Calculated enthalpy of reaction ErCl4- # Enthalpy of formation: -333.2 kcal/mol - -analytic 4.3471e+002 1.2627e-001 -1.0669e+004 -1.7677e+002 -1.6660e+002 + -analytic 4.3471e+2 1.2627e-1 -1.0669e+4 -1.7677e+2 -1.666e+2 # -Range: 0-300 -1.0000 F- + 1.0000 Er+++ = ErF++ - -llnl_gamma 4.5 - log_k +4.7352 - -delta_H 24.058 kJ/mol # Calculated enthalpy of reaction ErF+2 +F- + Er+3 = ErF+2 + -llnl_gamma 4.5 + log_k 4.7352 + -delta_H 24.058 kJ/mol # Calculated enthalpy of reaction ErF+2 # Enthalpy of formation: -242.9 kcal/mol - -analytic 9.7079e+001 4.1707e-002 -2.6028e+003 -3.8805e+001 -4.0643e+001 + -analytic 9.7079e+1 4.1707e-2 -2.6028e+3 -3.8805e+1 -4.0643e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Er+++ = ErF2+ - -llnl_gamma 4.0 - log_k +8.2976 - -delta_H 12.9704 kJ/mol # Calculated enthalpy of reaction ErF2+ +2 F- + Er+3 = ErF2+ + -llnl_gamma 4 + log_k 8.2976 + -delta_H 12.9704 kJ/mol # Calculated enthalpy of reaction ErF2+ # Enthalpy of formation: -325.7 kcal/mol - -analytic 2.2892e+002 8.3842e-002 -5.2174e+003 -9.2172e+001 -8.1481e+001 + -analytic 2.2892e+2 8.3842e-2 -5.2174e+3 -9.2172e+1 -8.1481e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Er+++ = ErF3 - -llnl_gamma 3.0 - log_k +10.9071 - -delta_H -12.3428 kJ/mol # Calculated enthalpy of reaction ErF3 +3 F- + Er+3 = ErF3 + -llnl_gamma 3 + log_k 10.9071 + -delta_H -12.3428 kJ/mol # Calculated enthalpy of reaction ErF3 # Enthalpy of formation: -411.9 kcal/mol - -analytic 4.2782e+002 1.3425e-001 -9.7064e+003 -1.7148e+002 -1.5158e+002 + -analytic 4.2782e+2 1.3425e-1 -9.7064e+3 -1.7148e+2 -1.5158e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Er+++ = ErF4- - -llnl_gamma 4.0 - log_k +13.0768 - -delta_H -60.2496 kJ/mol # Calculated enthalpy of reaction ErF4- +4 F- + Er+3 = ErF4- + -llnl_gamma 4 + log_k 13.0768 + -delta_H -60.2496 kJ/mol # Calculated enthalpy of reaction ErF4- # Enthalpy of formation: -503.5 kcal/mol - -analytic 4.6524e+002 1.3372e-001 -9.1895e+003 -1.8636e+002 -1.4353e+002 + -analytic 4.6524e+2 1.3372e-1 -9.1895e+3 -1.8636e+2 -1.4353e+2 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Er+++ = ErH2PO4++ - -llnl_gamma 4.5 - log_k +9.4484 - -delta_H -20.4388 kJ/mol # Calculated enthalpy of reaction ErH2PO4+2 +HPO4-2 + H+ + Er+3 = ErH2PO4+2 + -llnl_gamma 4.5 + log_k 9.4484 + -delta_H -20.4388 kJ/mol # Calculated enthalpy of reaction ErH2PO4+2 # Enthalpy of formation: -482.2 kcal/mol - -analytic 1.0254e+002 6.2786e-002 6.3590e+002 -4.6029e+001 9.8920e+000 + -analytic 1.0254e+2 6.2786e-2 6.359e+2 -4.6029e+1 9.892e+0 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Er+++ = ErHCO3++ - -llnl_gamma 4.5 - log_k +1.7724 - -delta_H 5.01243 kJ/mol # Calculated enthalpy of reaction ErHCO3+2 +HCO3- + Er+3 = ErHCO3+2 + -llnl_gamma 4.5 + log_k 1.7724 + -delta_H 5.01243 kJ/mol # Calculated enthalpy of reaction ErHCO3+2 # Enthalpy of formation: -332.2 kcal/mol - -analytic 3.2450e+001 3.0822e-002 3.1601e+002 -1.6528e+001 4.9212e+000 + -analytic 3.245e+1 3.0822e-2 3.1601e+2 -1.6528e+1 4.9212e+0 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 Er+++ = ErHPO4+ - -llnl_gamma 4.0 - log_k +5.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction ErHPO4+ +HPO4-2 + Er+3 = ErHPO4+ + -llnl_gamma 4 + log_k 5.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction ErHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 Er+++ = ErNO3++ - -llnl_gamma 4.5 - log_k +0.1415 - -delta_H -33.7691 kJ/mol # Calculated enthalpy of reaction ErNO3+2 + +NO3- + Er+3 = ErNO3+2 + -llnl_gamma 4.5 + log_k 0.1415 + -delta_H -33.7691 kJ/mol # Calculated enthalpy of reaction ErNO3+2 # Enthalpy of formation: -226 kcal/mol - -analytic 1.0381e+001 2.4710e-002 2.5752e+003 -1.0596e+001 4.0181e+001 + -analytic 1.0381e+1 2.471e-2 2.5752e+3 -1.0596e+1 4.0181e+1 # -Range: 0-300 -1.0000 H2O + 1.0000 Er+++ = ErO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -15.9705 - -delta_H 105.508 kJ/mol # Calculated enthalpy of reaction ErO+ +H2O + Er+3 = ErO+ + 2 H+ + -llnl_gamma 4 + log_k -15.9705 + -delta_H 105.508 kJ/mol # Calculated enthalpy of reaction ErO+ # Enthalpy of formation: -211.6 kcal/mol - -analytic 1.7556e+002 2.8655e-002 -1.3134e+004 -6.3050e+001 -2.0499e+002 + -analytic 1.7556e+2 2.8655e-2 -1.3134e+4 -6.305e+1 -2.0499e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Er+++ = ErO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -32.6008 - -delta_H 266.245 kJ/mol # Calculated enthalpy of reaction ErO2- +2 H2O + Er+3 = ErO2- + 4 H+ + -llnl_gamma 4 + log_k -32.6008 + -delta_H 266.245 kJ/mol # Calculated enthalpy of reaction ErO2- # Enthalpy of formation: -241.5 kcal/mol - -analytic 1.4987e+002 9.1241e-003 -1.8521e+004 -4.9740e+001 -2.8905e+002 + -analytic 1.4987e+2 9.1241e-3 -1.8521e+4 -4.974e+1 -2.8905e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Er+++ = ErO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -24.3178 - -delta_H 212.689 kJ/mol # Calculated enthalpy of reaction ErO2H +2 H2O + Er+3 = ErO2H + 3 H+ + -llnl_gamma 3 + log_k -24.3178 + -delta_H 212.689 kJ/mol # Calculated enthalpy of reaction ErO2H # Enthalpy of formation: -254.3 kcal/mol - -analytic 3.1493e+002 4.4381e-002 -2.1821e+004 -1.1287e+002 -3.4059e+002 + -analytic 3.1493e+2 4.4381e-2 -2.1821e+4 -1.1287e+2 -3.4059e+2 # -Range: 0-300 -1.0000 H2O + 1.0000 Er+++ = ErOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.7609 - -delta_H 74.5463 kJ/mol # Calculated enthalpy of reaction ErOH+2 +H2O + Er+3 = ErOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.7609 + -delta_H 74.5463 kJ/mol # Calculated enthalpy of reaction ErOH+2 # Enthalpy of formation: -219 kcal/mol - -analytic 5.7142e+001 1.0986e-002 -5.6684e+003 -1.9867e+001 -8.8467e+001 + -analytic 5.7142e+1 1.0986e-2 -5.6684e+3 -1.9867e+1 -8.8467e+1 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 Er+++ = ErPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k +0.3782 - -delta_H 0 # Not possible to calculate enthalpy of reaction ErPO4 +HPO4-2 + Er+3 = ErPO4 + H+ + -llnl_gamma 3 + log_k 0.3782 + -delta_H 0 # Not possible to calculate enthalpy of reaction ErPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Er+++ = ErSO4+ - -llnl_gamma 4.0 - log_k +3.5697 - -delta_H 20.3008 kJ/mol # Calculated enthalpy of reaction ErSO4+ + +SO4-2 + Er+3 = ErSO4+ + -llnl_gamma 4 + log_k 3.5697 + -delta_H 20.3008 kJ/mol # Calculated enthalpy of reaction ErSO4+ # Enthalpy of formation: -381.048 kcal/mol - -analytic 3.0363e+002 8.5667e-002 -8.9667e+003 -1.1942e+002 -1.4001e+002 + -analytic 3.0363e+2 8.5667e-2 -8.9667e+3 -1.1942e+2 -1.4001e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Eu+++ = Eu(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.6912 - -delta_H -28.3257 kJ/mol # Calculated enthalpy of reaction Eu(Acetate)2+ +2 HAcetate + Eu+3 = Eu(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.6912 + -delta_H -28.3257 kJ/mol # Calculated enthalpy of reaction Eu(Acetate)2+ # Enthalpy of formation: -383.67 kcal/mol - -analytic -2.7589e+001 1.5772e-003 -1.1008e+003 7.9899e+000 5.6652e+005 + -analytic -2.7589e+1 1.5772e-3 -1.1008e+3 7.9899e+0 5.6652e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Eu+++ = Eu(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -7.9824 - -delta_H -47.3629 kJ/mol # Calculated enthalpy of reaction Eu(Acetate)3 +3 HAcetate + Eu+3 = Eu(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -7.9824 + -delta_H -47.3629 kJ/mol # Calculated enthalpy of reaction Eu(Acetate)3 # Enthalpy of formation: -504.32 kcal/mol - -analytic -3.7470e+001 1.9276e-003 -1.0318e+003 9.7078e+000 7.4558e+005 + -analytic -3.747e+1 1.9276e-3 -1.0318e+3 9.7078e+0 7.4558e+5 # -Range: 0-300 -2.0000 HCO3- + 1.0000 Eu+++ = Eu(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -8.3993 - -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(CO3)2- +2 HCO3- + Eu+3 = Eu(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -8.3993 + -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(CO3)2- # Enthalpy of formation: -0 kcal/mol - -3.0000 HCO3- + 1.0000 Eu+++ = Eu(CO3)3--- +3.0000 H+ - -llnl_gamma 4.0 - log_k -16.8155 - -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(CO3)3-3 + +3 HCO3- + Eu+3 = Eu(CO3)3-3 + 3 H+ + -llnl_gamma 4 + log_k -16.8155 + -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(CO3)3-3 # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Eu+++ = Eu(HPO4)2- - -llnl_gamma 4.0 - log_k +9.6000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(HPO4)2- + +2 HPO4-2 + Eu+3 = Eu(HPO4)2- + -llnl_gamma 4 + log_k 9.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(HPO4)2- # Enthalpy of formation: -0 kcal/mol - + # Redundant with EuO+ #2.0000 H2O + 1.0000 Eu+++ = Eu(OH)2+ +2.0000 H+ -# -llnl_gamma 4.0 +# -llnl_gamma 4.0 # log_k -14.8609 # -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2+ ## Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 HCO3- + 1.0000 Eu+++ = Eu(OH)2CO3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -17.8462 - -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2CO3- + +2 H2O + HCO3- + Eu+3 = Eu(OH)2CO3- + 3 H+ + -llnl_gamma 4 + log_k -17.8462 + -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2CO3- # Enthalpy of formation: -0 kcal/mol - + # Redundant with EuO2H #3.0000 H2O + 1.0000 Eu+++ = Eu(OH)3 +3.0000 H+ -# -llnl_gamma 3.0 +# -llnl_gamma 3.0 # log_k -24.1253 # -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)3 ## Enthalpy of formation: -0 kcal/mol - + # Redundant with EuO2- #4.0000 H2O + 1.0000 Eu+++ = Eu(OH)4- +4.0000 H+ -# -llnl_gamma 4.0 +# -llnl_gamma 4.0 # log_k -36.5958 # -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)4- ## Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Eu+++ = Eu(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.9837 - -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Eu+++ = Eu(SO4)2- - -llnl_gamma 4.0 - log_k +5.4693 - -delta_H 25.627 kJ/mol # Calculated enthalpy of reaction Eu(SO4)2- + +2 HPO4-2 + Eu+3 = Eu(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -3.9837 + -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Eu+3 = Eu(SO4)2- + -llnl_gamma 4 + log_k 5.4693 + -delta_H 25.627 kJ/mol # Calculated enthalpy of reaction Eu(SO4)2- # Enthalpy of formation: -2399 kJ/mol - -analytic 4.5178e+002 1.2285e-001 -1.3400e+004 -1.7697e+002 -2.0922e+002 -# -Range: 0-300 - -2.0000 H2O + 2.0000 Eu+++ = Eu2(OH)2++++ +2.0000 H+ - -llnl_gamma 5.5 - log_k -6.9182 - -delta_H 0 # Not possible to calculate enthalpy of reaction Eu2(OH)2+4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Eu+++ + 1.0000 Br- = EuBr++ - -llnl_gamma 4.5 - log_k +0.5572 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuBr+2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 Br- + 1.0000 Eu+++ = EuBr2+ - -llnl_gamma 4.0 - log_k +0.2145 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuBr2+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Eu+++ + 1.0000 BrO3- = EuBrO3++ - -llnl_gamma 4.5 - log_k +4.5823 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuBrO3+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Eu+++ + 1.0000 HAcetate = EuAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -1.9571 - -delta_H -14.5603 kJ/mol # Calculated enthalpy of reaction EuAcetate+2 + -analytic 4.5178e+2 1.2285e-1 -1.34e+4 -1.7697e+2 -2.0922e+2 +# -Range: 0-300 + +2 H2O + 2 Eu+3 = Eu2(OH)2+4 + 2 H+ + -llnl_gamma 5.5 + log_k -6.9182 + -delta_H 0 # Not possible to calculate enthalpy of reaction Eu2(OH)2+4 +# Enthalpy of formation: -0 kcal/mol + +Eu+3 + Br- = EuBr+2 + -llnl_gamma 4.5 + log_k 0.5572 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuBr+2 +# Enthalpy of formation: -0 kcal/mol + +2 Br- + Eu+3 = EuBr2+ + -llnl_gamma 4 + log_k 0.2145 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuBr2+ +# Enthalpy of formation: -0 kcal/mol + +Eu+3 + BrO3- = EuBrO3+2 + -llnl_gamma 4.5 + log_k 4.5823 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuBrO3+2 +# Enthalpy of formation: -0 kcal/mol + +Eu+3 + HAcetate = EuAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -1.9571 + -delta_H -14.5603 kJ/mol # Calculated enthalpy of reaction EuAcetate+2 # Enthalpy of formation: -264.28 kcal/mol - -analytic -1.5090e+001 1.0352e-003 -6.4435e+002 4.6225e+000 3.1649e+005 + -analytic -1.509e+1 1.0352e-3 -6.4435e+2 4.6225e+0 3.1649e+5 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Eu+++ = EuCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.4057 - -delta_H 90.7844 kJ/mol # Calculated enthalpy of reaction EuCO3+ +HCO3- + Eu+3 = EuCO3+ + H+ + -llnl_gamma 4 + log_k -2.4057 + -delta_H 90.7844 kJ/mol # Calculated enthalpy of reaction EuCO3+ # Enthalpy of formation: -287.9 kcal/mol - -analytic 2.3548e+002 5.3819e-002 -6.9908e+003 -9.3137e+001 -1.0915e+002 + -analytic 2.3548e+2 5.3819e-2 -6.9908e+3 -9.3137e+1 -1.0915e+2 # -Range: 0-300 -1.0000 Eu++ + 1.0000 Cl- = EuCl+ - -llnl_gamma 4.0 - log_k +0.3819 - -delta_H 8.50607 kJ/mol # Calculated enthalpy of reaction EuCl+ +Eu+2 + Cl- = EuCl+ + -llnl_gamma 4 + log_k 0.3819 + -delta_H 8.50607 kJ/mol # Calculated enthalpy of reaction EuCl+ # Enthalpy of formation: -164 kcal/mol - -analytic 6.8695e+001 3.7619e-002 -1.0809e+003 -3.0665e+001 -1.6887e+001 + -analytic 6.8695e+1 3.7619e-2 -1.0809e+3 -3.0665e+1 -1.6887e+1 # -Range: 0-300 -1.0000 Eu+++ + 1.0000 Cl- = EuCl++ - -llnl_gamma 4.5 - log_k +0.3086 - -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction EuCl+2 +Eu+3 + Cl- = EuCl+2 + -llnl_gamma 4.5 + log_k 0.3086 + -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction EuCl+2 # Enthalpy of formation: -181.3 kcal/mol - -analytic 7.9275e+001 3.7878e-002 -1.7895e+003 -3.4041e+001 -2.7947e+001 + -analytic 7.9275e+1 3.7878e-2 -1.7895e+3 -3.4041e+1 -2.7947e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Eu++ = EuCl2 - -llnl_gamma 3.0 - log_k +1.2769 - -delta_H 5.71534 kJ/mol # Calculated enthalpy of reaction EuCl2 +2 Cl- + Eu+2 = EuCl2 + -llnl_gamma 3 + log_k 1.2769 + -delta_H 5.71534 kJ/mol # Calculated enthalpy of reaction EuCl2 # Enthalpy of formation: -204.6 kcal/mol - -analytic 1.0474e+002 6.7132e-002 -7.0448e+002 -4.8928e+001 -1.1024e+001 + -analytic 1.0474e+2 6.7132e-2 -7.0448e+2 -4.8928e+1 -1.1024e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Eu+++ = EuCl2+ - -llnl_gamma 4.0 - log_k -0.0425 - -delta_H 18.6857 kJ/mol # Calculated enthalpy of reaction EuCl2+ +2 Cl- + Eu+3 = EuCl2+ + -llnl_gamma 4 + log_k -0.0425 + -delta_H 18.6857 kJ/mol # Calculated enthalpy of reaction EuCl2+ # Enthalpy of formation: -220.1 kcal/mol - -analytic 2.1758e+002 8.0336e-002 -5.5499e+003 -9.0087e+001 -8.6665e+001 + -analytic 2.1758e+2 8.0336e-2 -5.5499e+3 -9.0087e+1 -8.6665e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Eu+++ = EuCl3 - -llnl_gamma 3.0 - log_k -0.4669 - -delta_H 11.2926 kJ/mol # Calculated enthalpy of reaction EuCl3 +3 Cl- + Eu+3 = EuCl3 + -llnl_gamma 3 + log_k -0.4669 + -delta_H 11.2926 kJ/mol # Calculated enthalpy of reaction EuCl3 # Enthalpy of formation: -261.8 kcal/mol - -analytic 4.2075e+002 1.2890e-001 -1.1288e+004 -1.7043e+002 -1.7627e+002 + -analytic 4.2075e+2 1.289e-1 -1.1288e+4 -1.7043e+2 -1.7627e+2 # -Range: 0-300 -3.0000 Cl- + 1.0000 Eu++ = EuCl3- - -llnl_gamma 4.0 - log_k +2.0253 - -delta_H -3.76978 kJ/mol # Calculated enthalpy of reaction EuCl3- +3 Cl- + Eu+2 = EuCl3- + -llnl_gamma 4 + log_k 2.0253 + -delta_H -3.76978 kJ/mol # Calculated enthalpy of reaction EuCl3- # Enthalpy of formation: -246.8 kcal/mol - -analytic 1.1546e+001 6.4683e-002 3.7299e+003 -1.6672e+001 5.8196e+001 + -analytic 1.1546e+1 6.4683e-2 3.7299e+3 -1.6672e+1 5.8196e+1 # -Range: 0-300 -4.0000 Cl- + 1.0000 Eu+++ = EuCl4- - -llnl_gamma 4.0 - log_k -0.8913 - -delta_H -9.90771 kJ/mol # Calculated enthalpy of reaction EuCl4- +4 Cl- + Eu+3 = EuCl4- + -llnl_gamma 4 + log_k -0.8913 + -delta_H -9.90771 kJ/mol # Calculated enthalpy of reaction EuCl4- # Enthalpy of formation: -306.8 kcal/mol - -analytic 4.8122e+002 1.3081e-001 -1.2950e+004 -1.9302e+002 -2.0222e+002 + -analytic 4.8122e+2 1.3081e-1 -1.295e+4 -1.9302e+2 -2.0222e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Eu++ = EuCl4-- - -llnl_gamma 4.0 - log_k +2.8470 - -delta_H -19.9493 kJ/mol # Calculated enthalpy of reaction EuCl4-2 +4 Cl- + Eu+2 = EuCl4-2 + -llnl_gamma 4 + log_k 2.847 + -delta_H -19.9493 kJ/mol # Calculated enthalpy of reaction EuCl4-2 # Enthalpy of formation: -290.6 kcal/mol - -analytic -1.2842e+002 5.0789e-002 9.8815e+003 3.3565e+001 1.5423e+002 + -analytic -1.2842e+2 5.0789e-2 9.8815e+3 3.3565e+1 1.5423e+2 # -Range: 0-300 -1.0000 F- + 1.0000 Eu++ = EuF+ - -llnl_gamma 4.0 - log_k -1.3487 - -delta_H 16.9452 kJ/mol # Calculated enthalpy of reaction EuF+ +F- + Eu+2 = EuF+ + -llnl_gamma 4 + log_k -1.3487 + -delta_H 16.9452 kJ/mol # Calculated enthalpy of reaction EuF+ # Enthalpy of formation: -202.2 kcal/mol - -analytic 6.2412e+001 3.5839e-002 -1.3660e+003 -2.8223e+001 -2.1333e+001 + -analytic 6.2412e+1 3.5839e-2 -1.366e+3 -2.8223e+1 -2.1333e+1 # -Range: 0-300 -1.0000 F- + 1.0000 Eu+++ = EuF++ - -llnl_gamma 4.5 - log_k +4.4420 - -delta_H 23.6396 kJ/mol # Calculated enthalpy of reaction EuF+2 +F- + Eu+3 = EuF+2 + -llnl_gamma 4.5 + log_k 4.442 + -delta_H 23.6396 kJ/mol # Calculated enthalpy of reaction EuF+2 # Enthalpy of formation: -219.2 kcal/mol - -analytic 1.0063e+002 4.1834e-002 -2.7355e+003 -4.0195e+001 -4.2714e+001 + -analytic 1.0063e+2 4.1834e-2 -2.7355e+3 -4.0195e+1 -4.2714e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Eu++ = EuF2 - -llnl_gamma 3.0 - log_k -2.0378 - -delta_H 17.5728 kJ/mol # Calculated enthalpy of reaction EuF2 +2 F- + Eu+2 = EuF2 + -llnl_gamma 3 + log_k -2.0378 + -delta_H 17.5728 kJ/mol # Calculated enthalpy of reaction EuF2 # Enthalpy of formation: -282.2 kcal/mol - -analytic 1.2065e+002 7.1705e-002 -1.7998e+003 -5.5760e+001 -2.8121e+001 + -analytic 1.2065e+2 7.1705e-2 -1.7998e+3 -5.576e+1 -2.8121e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Eu+++ = EuF2+ - -llnl_gamma 4.0 - log_k +7.7112 - -delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction EuF2+ +2 F- + Eu+3 = EuF2+ + -llnl_gamma 4 + log_k 7.7112 + -delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction EuF2+ # Enthalpy of formation: -301.7 kcal/mol - -analytic 2.4099e+002 8.4714e-002 -5.7702e+003 -9.6640e+001 -9.0109e+001 + -analytic 2.4099e+2 8.4714e-2 -5.7702e+3 -9.664e+1 -9.0109e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Eu+++ = EuF3 - -llnl_gamma 3.0 - log_k +10.1741 - -delta_H -8.9956 kJ/mol # Calculated enthalpy of reaction EuF3 +3 F- + Eu+3 = EuF3 + -llnl_gamma 3 + log_k 10.1741 + -delta_H -8.9956 kJ/mol # Calculated enthalpy of reaction EuF3 # Enthalpy of formation: -387.3 kcal/mol - -analytic 4.5022e+002 1.3560e-001 -1.0801e+004 -1.7951e+002 -1.6867e+002 + -analytic 4.5022e+2 1.356e-1 -1.0801e+4 -1.7951e+2 -1.6867e+2 # -Range: 0-300 -3.0000 F- + 1.0000 Eu++ = EuF3- - -llnl_gamma 4.0 - log_k -2.5069 - -delta_H 3.5564 kJ/mol # Calculated enthalpy of reaction EuF3- +3 F- + Eu+2 = EuF3- + -llnl_gamma 4 + log_k -2.5069 + -delta_H 3.5564 kJ/mol # Calculated enthalpy of reaction EuF3- # Enthalpy of formation: -365.7 kcal/mol - -analytic -2.8441e+001 5.5972e-002 4.4573e+003 -2.2782e+000 6.9558e+001 + -analytic -2.8441e+1 5.5972e-2 4.4573e+3 -2.2782e+0 6.9558e+1 # -Range: 0-300 -4.0000 F- + 1.0000 Eu+++ = EuF4- - -llnl_gamma 4.0 - log_k +12.1239 - -delta_H -52.3 kJ/mol # Calculated enthalpy of reaction EuF4- +4 F- + Eu+3 = EuF4- + -llnl_gamma 4 + log_k 12.1239 + -delta_H -52.3 kJ/mol # Calculated enthalpy of reaction EuF4- # Enthalpy of formation: -477.8 kcal/mol - -analytic 5.0246e+002 1.3629e-001 -1.1092e+004 -1.9952e+002 -1.7323e+002 + -analytic 5.0246e+2 1.3629e-1 -1.1092e+4 -1.9952e+2 -1.7323e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Eu++ = EuF4-- - -llnl_gamma 4.0 - log_k -2.8294 - -delta_H -37.656 kJ/mol # Calculated enthalpy of reaction EuF4-2 +4 F- + Eu+2 = EuF4-2 + -llnl_gamma 4 + log_k -2.8294 + -delta_H -37.656 kJ/mol # Calculated enthalpy of reaction EuF4-2 # Enthalpy of formation: -455.7 kcal/mol - -analytic -1.8730e+002 3.9237e-002 1.2303e+004 5.3179e+001 1.9204e+002 + -analytic -1.873e+2 3.9237e-2 1.2303e+4 5.3179e+1 1.9204e+2 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Eu+++ = EuH2PO4++ - -llnl_gamma 4.5 - log_k +9.4484 - -delta_H -17.0916 kJ/mol # Calculated enthalpy of reaction EuH2PO4+2 +HPO4-2 + H+ + Eu+3 = EuH2PO4+2 + -llnl_gamma 4.5 + log_k 9.4484 + -delta_H -17.0916 kJ/mol # Calculated enthalpy of reaction EuH2PO4+2 # Enthalpy of formation: -457.6 kcal/mol - -analytic 1.0873e+002 6.3416e-002 2.7202e+002 -4.8113e+001 4.2122e+000 + -analytic 1.0873e+2 6.3416e-2 2.7202e+2 -4.8113e+1 4.2122e+0 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Eu+++ = EuHCO3++ - -llnl_gamma 4.5 - log_k +1.6258 - -delta_H 8.77803 kJ/mol # Calculated enthalpy of reaction EuHCO3+2 +HCO3- + Eu+3 = EuHCO3+2 + -llnl_gamma 4.5 + log_k 1.6258 + -delta_H 8.77803 kJ/mol # Calculated enthalpy of reaction EuHCO3+2 # Enthalpy of formation: -307.5 kcal/mol - -analytic 3.9266e+001 3.1608e-002 -9.8731e+001 -1.8875e+001 -1.5524e+000 + -analytic 3.9266e+1 3.1608e-2 -9.8731e+1 -1.8875e+1 -1.5524e+0 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 Eu+++ = EuHPO4+ - -llnl_gamma 4.0 - log_k +5.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuHPO4+ +HPO4-2 + Eu+3 = EuHPO4+ + -llnl_gamma 4 + log_k 5.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 IO3- + 1.0000 Eu+++ = EuIO3++ - -llnl_gamma 4.5 - log_k +2.1560 - -delta_H 11.8314 kJ/mol # Calculated enthalpy of reaction EuIO3+2 + +IO3- + Eu+3 = EuIO3+2 + -llnl_gamma 4.5 + log_k 2.156 + -delta_H 11.8314 kJ/mol # Calculated enthalpy of reaction EuIO3+2 # Enthalpy of formation: -814.927 kJ/mol - -analytic 1.4970e+002 4.7369e-002 -4.1559e+003 -5.9687e+001 -6.4893e+001 + -analytic 1.497e+2 4.7369e-2 -4.1559e+3 -5.9687e+1 -6.4893e+1 # -Range: 0-300 -1.0000 NO3- + 1.0000 Eu+++ = EuNO3++ - -llnl_gamma 4.5 - log_k +0.8745 - -delta_H -32.0955 kJ/mol # Calculated enthalpy of reaction EuNO3+2 +NO3- + Eu+3 = EuNO3+2 + -llnl_gamma 4.5 + log_k 0.8745 + -delta_H -32.0955 kJ/mol # Calculated enthalpy of reaction EuNO3+2 # Enthalpy of formation: -201.8 kcal/mol - -analytic 1.7398e+001 2.5467e-002 2.2683e+003 -1.2810e+001 3.5389e+001 + -analytic 1.7398e+1 2.5467e-2 2.2683e+3 -1.281e+1 3.5389e+1 # -Range: 0-300 -1.0000 H2O + 1.0000 Eu+++ = EuO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -16.337 - -delta_H 110.947 kJ/mol # Calculated enthalpy of reaction EuO+ +H2O + Eu+3 = EuO+ + 2 H+ + -llnl_gamma 4 + log_k -16.337 + -delta_H 110.947 kJ/mol # Calculated enthalpy of reaction EuO+ # Enthalpy of formation: -186.5 kcal/mol - -analytic 1.8876e+002 3.0194e-002 -1.3836e+004 -6.7770e+001 -2.1595e+002 + -analytic 1.8876e+2 3.0194e-2 -1.3836e+4 -6.777e+1 -2.1595e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Eu+++ = EuO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -34.5066 - -delta_H 281.307 kJ/mol # Calculated enthalpy of reaction EuO2- +2 H2O + Eu+3 = EuO2- + 4 H+ + -llnl_gamma 4 + log_k -34.5066 + -delta_H 281.307 kJ/mol # Calculated enthalpy of reaction EuO2- # Enthalpy of formation: -214.1 kcal/mol - -analytic 7.5244e+001 3.7089e-004 -1.3587e+004 -2.3859e+001 -4.6713e+005 + -analytic 7.5244e+1 3.7089e-4 -1.3587e+4 -2.3859e+1 -4.6713e+5 # -Range: 0-300 -2.0000 H2O + 1.0000 Eu+++ = EuO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -25.4173 - -delta_H 222.313 kJ/mol # Calculated enthalpy of reaction EuO2H +2 H2O + Eu+3 = EuO2H + 3 H+ + -llnl_gamma 3 + log_k -25.4173 + -delta_H 222.313 kJ/mol # Calculated enthalpy of reaction EuO2H # Enthalpy of formation: -228.2 kcal/mol - -analytic 3.6754e+002 5.3868e-002 -2.4034e+004 -1.3272e+002 -3.7514e+002 + -analytic 3.6754e+2 5.3868e-2 -2.4034e+4 -1.3272e+2 -3.7514e+2 # -Range: 0-300 -2.0000 HCO3- + 1.0000 H2O + 1.0000 Eu+++ = EuOH(CO3)2-- +3.0000 H+ - -llnl_gamma 4.0 - log_k -15.176 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuOH(CO3)2-2 +2 HCO3- + H2O + Eu+3 = EuOH(CO3)2-2 + 3 H+ + -llnl_gamma 4 + log_k -15.176 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuOH(CO3)2-2 # Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Eu+++ = EuOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.9075 - -delta_H 78.0065 kJ/mol # Calculated enthalpy of reaction EuOH+2 + +H2O + Eu+3 = EuOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.9075 + -delta_H 78.0065 kJ/mol # Calculated enthalpy of reaction EuOH+2 # Enthalpy of formation: -194.373 kcal/mol - -analytic 6.7691e+001 1.2066e-002 -6.1871e+003 -2.3617e+001 -9.6563e+001 + -analytic 6.7691e+1 1.2066e-2 -6.1871e+3 -2.3617e+1 -9.6563e+1 # -Range: 0-300 -1.0000 HCO3- + 1.0000 H2O + 1.0000 Eu+++ = EuOHCO3 +2.0000 H+ - -llnl_gamma 3.0 - log_k -8.4941 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuOHCO3 +HCO3- + H2O + Eu+3 = EuOHCO3 + 2 H+ + -llnl_gamma 3 + log_k -8.4941 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuOHCO3 # Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 Eu+++ = EuPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k -0.1218 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuPO4 + +HPO4-2 + Eu+3 = EuPO4 + H+ + -llnl_gamma 3 + log_k -0.1218 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Eu+++ = EuSO4+ - -llnl_gamma 4.0 - log_k +3.6430 - -delta_H 62.3416 kJ/mol # Calculated enthalpy of reaction EuSO4+ + +SO4-2 + Eu+3 = EuSO4+ + -llnl_gamma 4 + log_k 3.643 + -delta_H 62.3416 kJ/mol # Calculated enthalpy of reaction EuSO4+ # Enthalpy of formation: -347.2 kcal/mol - -analytic 3.0587e+002 8.6208e-002 -9.0387e+003 -1.2026e+002 -1.4113e+002 + -analytic 3.0587e+2 8.6208e-2 -9.0387e+3 -1.2026e+2 -1.4113e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Fe++ = Fe(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -7.0295 - -delta_H -20.2924 kJ/mol # Calculated enthalpy of reaction Fe(Acetate)2 +2 HAcetate + Fe+2 = Fe(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -7.0295 + -delta_H -20.2924 kJ/mol # Calculated enthalpy of reaction Fe(Acetate)2 # Enthalpy of formation: -259.1 kcal/mol - -analytic -2.9862e+001 1.3901e-003 -1.6908e+003 8.6283e+000 6.0125e+005 -# -Range: 0-300 - -2.0000 H2O + 1.0000 Fe++ = Fe(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -20.6 - -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Fe+++ = Fe(OH)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -5.67 - -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)2+ -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Fe+++ = Fe(OH)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -12 - -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)3 -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Fe++ = Fe(OH)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -31 - -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 Fe+++ = Fe(OH)4- +4.0000 H+ - -llnl_gamma 4.0 - log_k -21.6 - -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)4- -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 Fe++ = Fe(OH)4-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -46 - -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)4-2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Fe+++ = Fe(SO4)2- - -llnl_gamma 4.0 - log_k +3.2137 - -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 2.0000 Fe+++ = Fe2(OH)2++++ +2.0000 H+ - -llnl_gamma 5.5 - log_k -2.95 - -delta_H 0 # Not possible to calculate enthalpy of reaction Fe2(OH)2+4 -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 3.0000 Fe+++ = Fe3(OH)4+5 +4.0000 H+ - -llnl_gamma 6.0 - log_k -6.3 - -delta_H 0 # Not possible to calculate enthalpy of reaction Fe3(OH)4+5 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Fe++ + 1.0000 HAcetate = FeAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.4671 - -delta_H -3.80744 kJ/mol # Calculated enthalpy of reaction FeAcetate+ + -analytic -2.9862e+1 1.3901e-3 -1.6908e+3 8.6283e+0 6.0125e+5 +# -Range: 0-300 + +2 H2O + Fe+2 = Fe(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -20.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)2 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Fe+3 = Fe(OH)2+ + 2 H+ + -llnl_gamma 4 + log_k -5.67 + -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)2+ +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Fe+3 = Fe(OH)3 + 3 H+ + -llnl_gamma 3 + log_k -12 + -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)3 +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Fe+2 = Fe(OH)3- + 3 H+ + -llnl_gamma 4 + log_k -31 + -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)3- +# Enthalpy of formation: -0 kcal/mol + +4 H2O + Fe+3 = Fe(OH)4- + 4 H+ + -llnl_gamma 4 + log_k -21.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)4- +# Enthalpy of formation: -0 kcal/mol + +4 H2O + Fe+2 = Fe(OH)4-2 + 4 H+ + -llnl_gamma 4 + log_k -46 + -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(OH)4-2 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Fe+3 = Fe(SO4)2- + -llnl_gamma 4 + log_k 3.2137 + -delta_H 0 # Not possible to calculate enthalpy of reaction Fe(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 H2O + 2 Fe+3 = Fe2(OH)2+4 + 2 H+ + -llnl_gamma 5.5 + log_k -2.95 + -delta_H 0 # Not possible to calculate enthalpy of reaction Fe2(OH)2+4 +# Enthalpy of formation: -0 kcal/mol + +4 H2O + 3 Fe+3 = Fe3(OH)4+5 + 4 H+ + -llnl_gamma 6 + log_k -6.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction Fe3(OH)4+5 +# Enthalpy of formation: -0 kcal/mol + +Fe+2 + HAcetate = FeAcetate+ + H+ + -llnl_gamma 4 + log_k -3.4671 + -delta_H -3.80744 kJ/mol # Calculated enthalpy of reaction FeAcetate+ # Enthalpy of formation: -139.06 kcal/mol - -analytic -1.3781e+001 9.6253e-004 -7.5310e+002 4.0135e+000 2.3416e+005 + -analytic -1.3781e+1 9.6253e-4 -7.531e+2 4.0135e+0 2.3416e+5 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Fe++ = FeCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -5.5988 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeCO3 +HCO3- + Fe+2 = FeCO3 + H+ + -llnl_gamma 3 + log_k -5.5988 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeCO3 # Enthalpy of formation: -0 kcal/mol - -1.0000 HCO3- + 1.0000 Fe+++ = FeCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -0.6088 - -delta_H -50.208 kJ/mol # Calculated enthalpy of reaction FeCO3+ + +HCO3- + Fe+3 = FeCO3+ + H+ + -llnl_gamma 4 + log_k -0.6088 + -delta_H -50.208 kJ/mol # Calculated enthalpy of reaction FeCO3+ # Enthalpy of formation: -188.748 kcal/mol - -analytic 1.7100e+002 8.0413e-002 -4.3217e+002 -7.8449e+001 -6.7948e+000 + -analytic 1.71e+2 8.0413e-2 -4.3217e+2 -7.8449e+1 -6.7948e+0 # -Range: 0-300 -1.0000 Fe++ + 1.0000 Cl- = FeCl+ - -llnl_gamma 4.0 - log_k -0.1605 - -delta_H 3.02503 kJ/mol # Calculated enthalpy of reaction FeCl+ +Fe+2 + Cl- = FeCl+ + -llnl_gamma 4 + log_k -0.1605 + -delta_H 3.02503 kJ/mol # Calculated enthalpy of reaction FeCl+ # Enthalpy of formation: -61.26 kcal/mol - -analytic 8.2435e+001 3.7755e-002 -1.4765e+003 -3.5918e+001 -2.3064e+001 + -analytic 8.2435e+1 3.7755e-2 -1.4765e+3 -3.5918e+1 -2.3064e+1 # -Range: 0-300 -1.0000 Fe+++ + 1.0000 Cl- = FeCl++ - -llnl_gamma 4.5 - log_k -0.8108 - -delta_H 36.6421 kJ/mol # Calculated enthalpy of reaction FeCl+2 +Fe+3 + Cl- = FeCl+2 + -llnl_gamma 4.5 + log_k -0.8108 + -delta_H 36.6421 kJ/mol # Calculated enthalpy of reaction FeCl+2 # Enthalpy of formation: -180.018 kJ/mol - -analytic 1.6186e+002 5.9436e-002 -5.1913e+003 -6.5852e+001 -8.1053e+001 + -analytic 1.6186e+2 5.9436e-2 -5.1913e+3 -6.5852e+1 -8.1053e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Fe++ = FeCl2 - -llnl_gamma 3.0 - log_k -2.4541 - -delta_H 6.46846 kJ/mol # Calculated enthalpy of reaction FeCl2 +2 Cl- + Fe+2 = FeCl2 + -llnl_gamma 3 + log_k -2.4541 + -delta_H 6.46846 kJ/mol # Calculated enthalpy of reaction FeCl2 # Enthalpy of formation: -100.37 kcal/mol - -analytic 1.9171e+002 7.8070e-002 -4.1048e+003 -8.2292e+001 -6.4108e+001 + -analytic 1.9171e+2 7.807e-2 -4.1048e+3 -8.2292e+1 -6.4108e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Fe+++ = FeCl2+ - -llnl_gamma 4.0 - log_k +2.1300 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeCl2+ +2 Cl- + Fe+3 = FeCl2+ + -llnl_gamma 4 + log_k 2.13 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeCl2+ # Enthalpy of formation: -0 kcal/mol - -4.0000 Cl- + 1.0000 Fe+++ = FeCl4- - -llnl_gamma 4.0 - log_k -0.79 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeCl4- + +4 Cl- + Fe+3 = FeCl4- + -llnl_gamma 4 + log_k -0.79 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeCl4- # Enthalpy of formation: -0 kcal/mol - -4.0000 Cl- + 1.0000 Fe++ = FeCl4-- - -llnl_gamma 4.0 - log_k -1.9 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeCl4-2 + +4 Cl- + Fe+2 = FeCl4-2 + -llnl_gamma 4 + log_k -1.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeCl4-2 # Enthalpy of formation: -0 kcal/mol - -analytic -2.4108e+002 -6.0086e-003 9.7979e+003 8.4084e+001 1.5296e+002 + -analytic -2.4108e+2 -6.0086e-3 9.7979e+3 8.4084e+1 1.5296e+2 # -Range: 0-300 -1.0000 Fe++ + 1.0000 F- = FeF+ - -llnl_gamma 4.0 - log_k +1.3600 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeF+ +Fe+2 + F- = FeF+ + -llnl_gamma 4 + log_k 1.36 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeF+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Fe+++ + 1.0000 F- = FeF++ - -llnl_gamma 4.5 - log_k +4.1365 - -delta_H 14.327 kJ/mol # Calculated enthalpy of reaction FeF+2 + +Fe+3 + F- = FeF+2 + -llnl_gamma 4.5 + log_k 4.1365 + -delta_H 14.327 kJ/mol # Calculated enthalpy of reaction FeF+2 # Enthalpy of formation: -370.601 kJ/mol - -analytic 1.7546e+002 6.3754e-002 -4.3166e+003 -7.1052e+001 -6.7408e+001 + -analytic 1.7546e+2 6.3754e-2 -4.3166e+3 -7.1052e+1 -6.7408e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Fe+++ = FeF2+ - -llnl_gamma 4.0 - log_k +8.3498 - -delta_H 23.9776 kJ/mol # Calculated enthalpy of reaction FeF2+ +2 F- + Fe+3 = FeF2+ + -llnl_gamma 4 + log_k 8.3498 + -delta_H 23.9776 kJ/mol # Calculated enthalpy of reaction FeF2+ # Enthalpy of formation: -696.298 kJ/mol - -analytic 2.9080e+002 1.0393e-001 -7.2118e+003 -1.1688e+002 -1.1262e+002 -# -Range: 0-300 - -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Fe++ = FeH2PO4+ - -llnl_gamma 4.0 - log_k +2.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeH2PO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Fe+++ = FeH2PO4++ - -llnl_gamma 4.5 - log_k +4.1700 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeH2PO4+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 HCO3- + 1.0000 Fe++ = FeHCO3+ - -llnl_gamma 4.0 - log_k +2.7200 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeHCO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 Fe++ = FeHPO4 - -llnl_gamma 3.0 - log_k +3.6000 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeHPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 Fe+++ = FeHPO4+ - -llnl_gamma 4.0 - log_k +10.1800 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeHPO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 NO2- + 1.0000 Fe+++ = FeNO2++ - -llnl_gamma 4.5 - log_k +3.1500 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeNO2+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 Fe+++ = FeNO3++ - -llnl_gamma 4.5 - log_k +1.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeNO3+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Fe++ = FeOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -9.5 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeOH+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 H2O + 1.0000 Fe+++ = FeOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.19 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeOH+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 Fe++ = FePO4- +1.0000 H+ - -llnl_gamma 4.0 - log_k -4.3918 - -delta_H 0 # Not possible to calculate enthalpy of reaction FePO4- -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Fe++ = FeSO4 - -llnl_gamma 3.0 - log_k +2.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction FeSO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Fe+++ = FeSO4+ - -llnl_gamma 4.0 - log_k +1.9276 - -delta_H 27.181 kJ/mol # Calculated enthalpy of reaction FeSO4+ + -analytic 2.908e+2 1.0393e-1 -7.2118e+3 -1.1688e+2 -1.1262e+2 +# -Range: 0-300 + +HPO4-2 + H+ + Fe+2 = FeH2PO4+ + -llnl_gamma 4 + log_k 2.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeH2PO4+ +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + H+ + Fe+3 = FeH2PO4+2 + -llnl_gamma 4.5 + log_k 4.17 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeH2PO4+2 +# Enthalpy of formation: -0 kcal/mol + +HCO3- + Fe+2 = FeHCO3+ + -llnl_gamma 4 + log_k 2.72 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeHCO3+ +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + Fe+2 = FeHPO4 + -llnl_gamma 3 + log_k 3.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeHPO4 +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + Fe+3 = FeHPO4+ + -llnl_gamma 4 + log_k 10.18 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeHPO4+ +# Enthalpy of formation: -0 kcal/mol + +NO2- + Fe+3 = FeNO2+2 + -llnl_gamma 4.5 + log_k 3.15 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeNO2+2 +# Enthalpy of formation: -0 kcal/mol + +NO3- + Fe+3 = FeNO3+2 + -llnl_gamma 4.5 + log_k 1 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeNO3+2 +# Enthalpy of formation: -0 kcal/mol + +H2O + Fe+2 = FeOH+ + H+ + -llnl_gamma 4 + log_k -9.5 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeOH+ +# Enthalpy of formation: -0 kcal/mol + +H2O + Fe+3 = FeOH+2 + H+ + -llnl_gamma 4.5 + log_k -2.19 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeOH+2 +# Enthalpy of formation: -0 kcal/mol + +HPO4-2 + Fe+2 = FePO4- + H+ + -llnl_gamma 4 + log_k -4.3918 + -delta_H 0 # Not possible to calculate enthalpy of reaction FePO4- +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Fe+2 = FeSO4 + -llnl_gamma 3 + log_k 2.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction FeSO4 +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Fe+3 = FeSO4+ + -llnl_gamma 4 + log_k 1.9276 + -delta_H 27.181 kJ/mol # Calculated enthalpy of reaction FeSO4+ # Enthalpy of formation: -932.001 kJ/mol - -analytic 2.5178e+002 1.0080e-001 -6.0977e+003 -1.0483e+002 -9.5223e+001 + -analytic 2.5178e+2 1.008e-1 -6.0977e+3 -1.0483e+2 -9.5223e+1 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Gd+++ = Gd(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.9625 - -delta_H -22.3426 kJ/mol # Calculated enthalpy of reaction Gd(Acetate)2+ +2 HAcetate + Gd+3 = Gd(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.9625 + -delta_H -22.3426 kJ/mol # Calculated enthalpy of reaction Gd(Acetate)2+ # Enthalpy of formation: -401.74 kcal/mol - -analytic -4.3124e+001 1.2995e-004 -4.3494e+002 1.3677e+001 5.1224e+005 + -analytic -4.3124e+1 1.2995e-4 -4.3494e+2 1.3677e+1 5.1224e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Gd+++ = Gd(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.3489 - -delta_H -37.9907 kJ/mol # Calculated enthalpy of reaction Gd(Acetate)3 +3 HAcetate + Gd+3 = Gd(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.3489 + -delta_H -37.9907 kJ/mol # Calculated enthalpy of reaction Gd(Acetate)3 # Enthalpy of formation: -521.58 kcal/mol - -analytic -8.8296e+001 -5.0939e-003 1.2268e+003 2.8513e+001 6.0745e+005 + -analytic -8.8296e+1 -5.0939e-3 1.2268e+3 2.8513e+1 6.0745e+5 # -Range: 0-300 -2.0000 HCO3- + 1.0000 Gd+++ = Gd(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.5576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(CO3)2- +2 HCO3- + Gd+3 = Gd(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.5576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(CO3)2- # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Gd+++ = Gd(HPO4)2- - -llnl_gamma 4.0 - log_k +9.6000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(HPO4)2- + +2 HPO4-2 + Gd+3 = Gd(HPO4)2- + -llnl_gamma 4 + log_k 9.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(HPO4)2- # Enthalpy of formation: -0 kcal/mol - + # Redundant with GdO2- #4.0000 H2O + 1.0000 Gd+++ = Gd(OH)4- +4.0000 H+ -# -llnl_gamma 4.0 +# -llnl_gamma 4.0 # log_k -33.8803 # -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(OH)4- ## Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Gd+++ = Gd(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.9437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Gd+++ = Gd(SO4)2- - -llnl_gamma 4.0 - log_k +5.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Gd+++ + 1.0000 HAcetate = GdAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.1037 - -delta_H -11.7152 kJ/mol # Calculated enthalpy of reaction GdAcetate+2 + +2 HPO4-2 + Gd+3 = Gd(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -3.9437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Gd+3 = Gd(SO4)2- + -llnl_gamma 4 + log_k 5.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Gd+3 + HAcetate = GdAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.1037 + -delta_H -11.7152 kJ/mol # Calculated enthalpy of reaction GdAcetate+2 # Enthalpy of formation: -283.1 kcal/mol - -analytic -1.4118e+001 1.6660e-003 -7.5206e+002 4.2614e+000 3.1187e+005 + -analytic -1.4118e+1 1.666e-3 -7.5206e+2 4.2614e+0 3.1187e+5 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Gd+++ = GdCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.479 - -delta_H 89.9476 kJ/mol # Calculated enthalpy of reaction GdCO3+ +HCO3- + Gd+3 = GdCO3+ + H+ + -llnl_gamma 4 + log_k -2.479 + -delta_H 89.9476 kJ/mol # Calculated enthalpy of reaction GdCO3+ # Enthalpy of formation: -307.6 kcal/mol - -analytic 2.3628e+002 5.4100e-002 -7.0746e+003 -9.3413e+001 -1.1046e+002 + -analytic 2.3628e+2 5.41e-2 -7.0746e+3 -9.3413e+1 -1.1046e+2 # -Range: 0-300 -1.0000 Gd+++ + 1.0000 Cl- = GdCl++ - -llnl_gamma 4.5 - log_k +0.3086 - -delta_H 14.7821 kJ/mol # Calculated enthalpy of reaction GdCl+2 +Gd+3 + Cl- = GdCl+2 + -llnl_gamma 4.5 + log_k 0.3086 + -delta_H 14.7821 kJ/mol # Calculated enthalpy of reaction GdCl+2 # Enthalpy of formation: -200.6 kcal/mol - -analytic 8.0750e+001 3.8524e-002 -1.8591e+003 -3.4621e+001 -2.9034e+001 + -analytic 8.075e+1 3.8524e-2 -1.8591e+3 -3.4621e+1 -2.9034e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Gd+++ = GdCl2+ - -llnl_gamma 4.0 - log_k -0.0425 - -delta_H 21.1961 kJ/mol # Calculated enthalpy of reaction GdCl2+ +2 Cl- + Gd+3 = GdCl2+ + -llnl_gamma 4 + log_k -0.0425 + -delta_H 21.1961 kJ/mol # Calculated enthalpy of reaction GdCl2+ # Enthalpy of formation: -239 kcal/mol - -analytic 2.1754e+002 8.0996e-002 -5.6121e+003 -9.0067e+001 -8.7635e+001 + -analytic 2.1754e+2 8.0996e-2 -5.6121e+3 -9.0067e+1 -8.7635e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Gd+++ = GdCl3 - -llnl_gamma 3.0 - log_k -0.4669 - -delta_H 15.895 kJ/mol # Calculated enthalpy of reaction GdCl3 +3 Cl- + Gd+3 = GdCl3 + -llnl_gamma 3 + log_k -0.4669 + -delta_H 15.895 kJ/mol # Calculated enthalpy of reaction GdCl3 # Enthalpy of formation: -280.2 kcal/mol - -analytic 4.1398e+002 1.2829e-001 -1.1230e+004 -1.6770e+002 -1.7535e+002 + -analytic 4.1398e+2 1.2829e-1 -1.123e+4 -1.677e+2 -1.7535e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Gd+++ = GdCl4- - -llnl_gamma 4.0 - log_k -0.8913 - -delta_H -1.53971 kJ/mol # Calculated enthalpy of reaction GdCl4- +4 Cl- + Gd+3 = GdCl4- + -llnl_gamma 4 + log_k -0.8913 + -delta_H -1.53971 kJ/mol # Calculated enthalpy of reaction GdCl4- # Enthalpy of formation: -324.3 kcal/mol - -analytic 4.7684e+002 1.3157e-001 -1.3068e+004 -1.9118e+002 -2.0405e+002 + -analytic 4.7684e+2 1.3157e-1 -1.3068e+4 -1.9118e+2 -2.0405e+2 # -Range: 0-300 -1.0000 Gd+++ + 1.0000 F- = GdF++ - -llnl_gamma 4.5 - log_k +4.5886 - -delta_H 21.1292 kJ/mol # Calculated enthalpy of reaction GdF+2 +Gd+3 + F- = GdF+2 + -llnl_gamma 4.5 + log_k 4.5886 + -delta_H 21.1292 kJ/mol # Calculated enthalpy of reaction GdF+2 # Enthalpy of formation: -239.3 kcal/mol - -analytic 1.0060e+002 4.2181e-002 -2.6024e+003 -4.0347e+001 -4.0637e+001 + -analytic 1.006e+2 4.2181e-2 -2.6024e+3 -4.0347e+1 -4.0637e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Gd+++ = GdF2+ - -llnl_gamma 4.0 - log_k +7.9311 - -delta_H 11.2968 kJ/mol # Calculated enthalpy of reaction GdF2+ +2 F- + Gd+3 = GdF2+ + -llnl_gamma 4 + log_k 7.9311 + -delta_H 11.2968 kJ/mol # Calculated enthalpy of reaction GdF2+ # Enthalpy of formation: -321.8 kcal/mol - -analytic 2.3793e+002 8.4732e-002 -5.4950e+003 -9.5689e+001 -8.5815e+001 + -analytic 2.3793e+2 8.4732e-2 -5.495e+3 -9.5689e+1 -8.5815e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Gd+++ = GdF3 - -llnl_gamma 3.0 - log_k +10.4673 - -delta_H -11.506 kJ/mol # Calculated enthalpy of reaction GdF3 +3 F- + Gd+3 = GdF3 + -llnl_gamma 3 + log_k 10.4673 + -delta_H -11.506 kJ/mol # Calculated enthalpy of reaction GdF3 # Enthalpy of formation: -407.4 kcal/mol - -analytic 4.4257e+002 1.3500e-001 -1.0377e+004 -1.7680e+002 -1.6205e+002 + -analytic 4.4257e+2 1.35e-1 -1.0377e+4 -1.768e+2 -1.6205e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Gd+++ = GdF4- - -llnl_gamma 4.0 - log_k +12.4904 - -delta_H -52.3 kJ/mol # Calculated enthalpy of reaction GdF4- +4 F- + Gd+3 = GdF4- + -llnl_gamma 4 + log_k 12.4904 + -delta_H -52.3 kJ/mol # Calculated enthalpy of reaction GdF4- # Enthalpy of formation: -497.3 kcal/mol - -analytic 4.9026e+002 1.3534e-001 -1.0586e+004 -1.9501e+002 -1.6533e+002 + -analytic 4.9026e+2 1.3534e-1 -1.0586e+4 -1.9501e+2 -1.6533e+2 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 H+ + 1.0000 Gd+++ = GdH2PO4++ - -llnl_gamma 4.5 - log_k +9.4484 - -delta_H -14.9996 kJ/mol # Calculated enthalpy of reaction GdH2PO4+2 +HPO4-2 + H+ + Gd+3 = GdH2PO4+2 + -llnl_gamma 4.5 + log_k 9.4484 + -delta_H -14.9996 kJ/mol # Calculated enthalpy of reaction GdH2PO4+2 # Enthalpy of formation: -476.6 kcal/mol - -analytic 1.1058e+002 6.4124e-002 1.3451e+002 -4.8758e+001 2.0660e+000 + -analytic 1.1058e+2 6.4124e-2 1.3451e+2 -4.8758e+1 2.066e+0 # -Range: 0-300 -1.0000 HCO3- + 1.0000 Gd+++ = GdHCO3++ - -llnl_gamma 4.5 - log_k +1.6991 - -delta_H 10.0332 kJ/mol # Calculated enthalpy of reaction GdHCO3+2 +HCO3- + Gd+3 = GdHCO3+2 + -llnl_gamma 4.5 + log_k 1.6991 + -delta_H 10.0332 kJ/mol # Calculated enthalpy of reaction GdHCO3+2 # Enthalpy of formation: -326.7 kcal/mol - -analytic 4.1973e+001 3.2521e-002 -2.3475e+002 -1.9864e+001 -3.6757e+000 + -analytic 4.1973e+1 3.2521e-2 -2.3475e+2 -1.9864e+1 -3.6757e+0 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 Gd+++ = GdHPO4+ - -llnl_gamma 4.0 - log_k -185.109 - -delta_H 0 # Not possible to calculate enthalpy of reaction GdHPO4+ +HPO4-2 + Gd+3 = GdHPO4+ + -llnl_gamma 4 + log_k -185.109 + -delta_H 0 # Not possible to calculate enthalpy of reaction GdHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 Gd+++ = GdNO3++ - -llnl_gamma 4.5 - log_k +0.4347 - -delta_H -25.8195 kJ/mol # Calculated enthalpy of reaction GdNO3+2 + +NO3- + Gd+3 = GdNO3+2 + -llnl_gamma 4.5 + log_k 0.4347 + -delta_H -25.8195 kJ/mol # Calculated enthalpy of reaction GdNO3+2 # Enthalpy of formation: -219.8 kcal/mol - -analytic 2.0253e+001 2.6372e-002 1.8785e+003 -1.3723e+001 2.9306e+001 + -analytic 2.0253e+1 2.6372e-2 1.8785e+3 -1.3723e+1 2.9306e+1 # -Range: 0-300 -1.0000 H2O + 1.0000 Gd+++ = GdO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -16.337 - -delta_H 113.039 kJ/mol # Calculated enthalpy of reaction GdO+ +H2O + Gd+3 = GdO+ + 2 H+ + -llnl_gamma 4 + log_k -16.337 + -delta_H 113.039 kJ/mol # Calculated enthalpy of reaction GdO+ # Enthalpy of formation: -205.5 kcal/mol - -analytic 2.0599e+002 3.2521e-002 -1.4547e+004 -7.4048e+001 -2.2705e+002 + -analytic 2.0599e+2 3.2521e-2 -1.4547e+4 -7.4048e+1 -2.2705e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Gd+++ = GdO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -34.4333 - -delta_H 283.817 kJ/mol # Calculated enthalpy of reaction GdO2- +2 H2O + Gd+3 = GdO2- + 4 H+ + -llnl_gamma 4 + log_k -34.4333 + -delta_H 283.817 kJ/mol # Calculated enthalpy of reaction GdO2- # Enthalpy of formation: -233 kcal/mol - -analytic 1.2067e+002 6.6276e-003 -1.5531e+004 -4.0448e+001 -4.3587e+005 + -analytic 1.2067e+2 6.6276e-3 -1.5531e+4 -4.0448e+1 -4.3587e+5 # -Range: 0-300 -2.0000 H2O + 1.0000 Gd+++ = GdO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -25.2707 - -delta_H 224.405 kJ/mol # Calculated enthalpy of reaction GdO2H +2 H2O + Gd+3 = GdO2H + 3 H+ + -llnl_gamma 3 + log_k -25.2707 + -delta_H 224.405 kJ/mol # Calculated enthalpy of reaction GdO2H # Enthalpy of formation: -247.2 kcal/mol - -analytic 3.6324e+002 4.7938e-002 -2.4275e+004 -1.2988e+002 -3.7889e+002 + -analytic 3.6324e+2 4.7938e-2 -2.4275e+4 -1.2988e+2 -3.7889e+2 # -Range: 0-300 -1.0000 H2O + 1.0000 Gd+++ = GdOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.9075 - -delta_H 79.9855 kJ/mol # Calculated enthalpy of reaction GdOH+2 +H2O + Gd+3 = GdOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.9075 + -delta_H 79.9855 kJ/mol # Calculated enthalpy of reaction GdOH+2 # Enthalpy of formation: -213.4 kcal/mol - -analytic 8.3265e+001 1.4153e-002 -6.8229e+003 -2.9301e+001 -1.0649e+002 + -analytic 8.3265e+1 1.4153e-2 -6.8229e+3 -2.9301e+1 -1.0649e+2 # -Range: 0-300 -1.0000 HPO4-- + 1.0000 Gd+++ = GdPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k -0.1218 - -delta_H 0 # Not possible to calculate enthalpy of reaction GdPO4 +HPO4-2 + Gd+3 = GdPO4 + H+ + -llnl_gamma 3 + log_k -0.1218 + -delta_H 0 # Not possible to calculate enthalpy of reaction GdPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Gd+++ = GdSO4+ - -llnl_gamma 4.0 - log_k -3.687 - -delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction GdSO4+ + +SO4-2 + Gd+3 = GdSO4+ + -llnl_gamma 4 + log_k -3.687 + -delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction GdSO4+ # Enthalpy of formation: -376.8 kcal/mol - -analytic 3.0783e+002 8.6798e-002 -1.1246e+004 -1.2109e+002 -1.7557e+002 + -analytic 3.0783e+2 8.6798e-2 -1.1246e+4 -1.2109e+2 -1.7557e+2 # -Range: 0-300 -1.0000 O_phthalate-2 + 1.0000 H+ = H(O_phthalate)- - -llnl_gamma 4.0 - log_k +5.4080 - -delta_H 0 # Not possible to calculate enthalpy of reaction H(O_phthalate)- +O_phthalate-2 + H+ = H(O_phthalate)- + -llnl_gamma 4 + log_k 5.408 + -delta_H 0 # Not possible to calculate enthalpy of reaction H(O_phthalate)- # Enthalpy of formation: -0 kcal/mol - -2.0000 H+ + 1.0000 CrO4-- = H2CrO4 - -llnl_gamma 3.0 - log_k +5.1750 - -delta_H 42.8274 kJ/mol # Calculated enthalpy of reaction H2CrO4 + +2 H+ + CrO4-2 = H2CrO4 + -llnl_gamma 3 + log_k 5.175 + -delta_H 42.8274 kJ/mol # Calculated enthalpy of reaction H2CrO4 # Enthalpy of formation: -200.364 kcal/mol - -analytic 4.2958e+002 1.4939e-001 -1.1474e+004 -1.7396e+002 -1.9499e+002 + -analytic 4.2958e+2 1.4939e-1 -1.1474e+4 -1.7396e+2 -1.9499e+2 # -Range: 0-200 -2.0000 H+ + 2.0000 F- = H2F2 - -llnl_gamma 3.0 - log_k +6.7680 - -delta_H 0 # Not possible to calculate enthalpy of reaction H2F2 +2 H+ + 2 F- = H2F2 + -llnl_gamma 3 + log_k 6.768 + -delta_H 0 # Not possible to calculate enthalpy of reaction H2F2 # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 2.0000 H+ = H2P2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +12.0709 - -delta_H 19.7192 kJ/mol # Calculated enthalpy of reaction H2P2O7-2 + +2 HPO4-2 + 2 H+ = H2P2O7-2 + H2O + -llnl_gamma 4 + log_k 12.0709 + -delta_H 19.7192 kJ/mol # Calculated enthalpy of reaction H2P2O7-2 # Enthalpy of formation: -544.6 kcal/mol - -analytic 1.4825e+002 6.7021e-002 -2.8329e+003 -5.9251e+001 -4.4248e+001 + -analytic 1.4825e+2 6.7021e-2 -2.8329e+3 -5.9251e+1 -4.4248e+1 # -Range: 0-300 -3.0000 H+ + 1.0000 HPO4-- + 1.0000 F- = H2PO3F +1.0000 H2O - -llnl_gamma 3.0 - log_k +12.1047 - -delta_H 0 # Not possible to calculate enthalpy of reaction H2PO3F +3 H+ + HPO4-2 + F- = H2PO3F + H2O + -llnl_gamma 3 + log_k 12.1047 + -delta_H 0 # Not possible to calculate enthalpy of reaction H2PO3F # Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 H+ = H2PO4- - -llnl_gamma 4.0 - log_k +7.2054 - -delta_H -4.20492 kJ/mol # Calculated enthalpy of reaction H2PO4- + +HPO4-2 + H+ = H2PO4- + -llnl_gamma 4 + log_k 7.2054 + -delta_H -4.20492 kJ/mol # Calculated enthalpy of reaction H2PO4- # Enthalpy of formation: -309.82 kcal/mol - -analytic 8.2149e+001 3.4077e-002 -1.0431e+003 -3.2970e+001 -1.6301e+001 + -analytic 8.2149e+1 3.4077e-2 -1.0431e+3 -3.297e+1 -1.6301e+1 # -Range: 0-300 #1.0000 HS- + 1.0000 H+ = H2S -# -llnl_gamma 3.0 +# -llnl_gamma 3.0 # log_k +6.99 # -analytic 1.2833e+002 5.1641e-002 -1.1681e+003 -5.3665e+001 -1.8266e+001 # -Range: 0-300 -# these (above) H2S values are from +# these (above) H2S values are from # Suleimenov & Seward, Geochim. Cosmochim. Acta, v. 61, p. 5187-5198. # values below are the original Thermo.com.v8.r6.230 data from somewhere -1.0000 HS- + 1.0000 H+ = H2S - -llnl_gamma 3.0 - log_k +6.9877 - -delta_H -21.5518 kJ/mol # Calculated enthalpy of reaction H2S +HS- + H+ = H2S + -llnl_gamma 3 + log_k 6.9877 + -delta_H -21.5518 kJ/mol # Calculated enthalpy of reaction H2S # Enthalpy of formation: -9.001 kcal/mol - -analytic 3.9283e+001 2.8727e-002 1.3477e+003 -1.8331e+001 2.1018e+001 + -analytic 3.9283e+1 2.8727e-2 1.3477e+3 -1.8331e+1 2.1018e+1 # -Range: 0-300 -2.0000 H+ + 1.0000 SO3-- = H2SO3 - -llnl_gamma 3.0 - log_k +9.2132 - -delta_H 0 # Not possible to calculate enthalpy of reaction H2SO3 +2 H+ + SO3-2 = H2SO3 + -llnl_gamma 3 + log_k 9.2132 + -delta_H 0 # Not possible to calculate enthalpy of reaction H2SO3 # Enthalpy of formation: -0 kcal/mol - -2.0000 H+ + 1.0000 SO4-- = H2SO4 - -llnl_gamma 3.0 - log_k -1.0209 - -delta_H 0 # Not possible to calculate enthalpy of reaction H2SO4 + +2 H+ + SO4-2 = H2SO4 + -llnl_gamma 3 + log_k -1.0209 + -delta_H 0 # Not possible to calculate enthalpy of reaction H2SO4 # Enthalpy of formation: -0 kcal/mol - -2.0000 H+ + 1.0000 Se-- = H2Se - -llnl_gamma 3.0 - log_k +18.7606 - -delta_H 0 # Not possible to calculate enthalpy of reaction H2Se + +2 H+ + Se-2 = H2Se + -llnl_gamma 3 + log_k 18.7606 + -delta_H 0 # Not possible to calculate enthalpy of reaction H2Se # Enthalpy of formation: 19.412 kJ/mol - -analytic 3.6902e+002 1.2855e-001 -5.5900e+003 -1.4946e+002 -9.5054e+001 + -analytic 3.6902e+2 1.2855e-1 -5.59e+3 -1.4946e+2 -9.5054e+1 # -Range: 0-200 -2.0000 H+ + 1.0000 SeO3-- = H2SeO3 - -llnl_gamma 3.0 - log_k +9.8589 - -delta_H 1.7238 kJ/mol # Calculated enthalpy of reaction H2SeO3 +2 H+ + SeO3-2 = H2SeO3 + -llnl_gamma 3 + log_k 9.8589 + -delta_H 1.7238 kJ/mol # Calculated enthalpy of reaction H2SeO3 # Enthalpy of formation: -507.469 kJ/mol - -analytic 2.7850e+002 1.0460e-001 -5.4934e+003 -1.1371e+002 -9.3383e+001 + -analytic 2.785e+2 1.046e-1 -5.4934e+3 -1.1371e+2 -9.3383e+1 # -Range: 0-200 -2.0000 H2O + 1.0000 SiO2 = H2SiO4-- +2.0000 H+ - -llnl_gamma 4.0 - log_k -22.96 - -delta_H 0 # Not possible to calculate enthalpy of reaction H2SiO4-2 +2 H2O + SiO2 = H2SiO4-2 + 2 H+ + -llnl_gamma 4 + log_k -22.96 + -delta_H 0 # Not possible to calculate enthalpy of reaction H2SiO4-2 # Enthalpy of formation: -0 kcal/mol - -2.0000 H+ + 1.0000 TcO4-- = H2TcO4 - -llnl_gamma 3.0 - log_k +9.0049 - -delta_H 0 # Not possible to calculate enthalpy of reaction H2TcO4 + +2 H+ + TcO4-2 = H2TcO4 + -llnl_gamma 3 + log_k 9.0049 + -delta_H 0 # Not possible to calculate enthalpy of reaction H2TcO4 # Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 VO2+ = H2VO4- + 2.0000 H+ - -llnl_gamma 4.0 - log_k -7.0922 - -delta_H 0 # Not possible to calculate enthalpy of reaction H2VO4- + +2 H2O + VO2+ = H2VO4- + 2 H+ + -llnl_gamma 4 + log_k -7.0922 + -delta_H 0 # Not possible to calculate enthalpy of reaction H2VO4- # Enthalpy of formation: -0 kcal/mol - -analytic 1.7105e+001 -1.7503e-002 -4.2671e+003 -1.8910e+000 -6.6589e+001 + -analytic 1.7105e+1 -1.7503e-2 -4.2671e+3 -1.891e+0 -6.6589e+1 # -Range: 0-300 -1.0000 H2AsO4- + 1.0000 H+ = H3AsO4 - -llnl_gamma 3.0 - log_k +2.2492 - -delta_H 7.17876 kJ/mol # Calculated enthalpy of reaction H3AsO4 +H2AsO4- + H+ = H3AsO4 + -llnl_gamma 3 + log_k 2.2492 + -delta_H 7.17876 kJ/mol # Calculated enthalpy of reaction H3AsO4 # Enthalpy of formation: -902.381 kJ/mol - -analytic 1.4043e+002 4.6288e-002 -3.5868e+003 -5.6560e+001 -6.0957e+001 + -analytic 1.4043e+2 4.6288e-2 -3.5868e+3 -5.656e+1 -6.0957e+1 # -Range: 0-200 -3.0000 H+ + 2.0000 HPO4-- = H3P2O7- +1.0000 H2O - -llnl_gamma 4.0 - log_k +14.4165 - -delta_H 21.8112 kJ/mol # Calculated enthalpy of reaction H3P2O7- +3 H+ + 2 HPO4-2 = H3P2O7- + H2O + -llnl_gamma 4 + log_k 14.4165 + -delta_H 21.8112 kJ/mol # Calculated enthalpy of reaction H3P2O7- # Enthalpy of formation: -544.1 kcal/mol - -analytic 2.3157e+002 1.0161e-001 -4.3723e+003 -9.4050e+001 -6.8295e+001 + -analytic 2.3157e+2 1.0161e-1 -4.3723e+3 -9.405e+1 -6.8295e+1 # -Range: 0-300 -2.0000 H+ + 1.0000 HPO4-- = H3PO4 - -llnl_gamma 3.0 - log_k +9.3751 - -delta_H 3.74468 kJ/mol # Calculated enthalpy of reaction H3PO4 +2 H+ + HPO4-2 = H3PO4 + -llnl_gamma 3 + log_k 9.3751 + -delta_H 3.74468 kJ/mol # Calculated enthalpy of reaction H3PO4 # Enthalpy of formation: -307.92 kcal/mol - -analytic 1.8380e+002 6.7320e-002 -3.7792e+003 -7.3463e+001 -5.9025e+001 + -analytic 1.838e+2 6.732e-2 -3.7792e+3 -7.3463e+1 -5.9025e+1 # -Range: 0-300 -8.0000 H2O + 4.0000 SiO2 = H4(H2SiO4)4---- +4.0000 H+ - -llnl_gamma 4.0 - log_k -35.94 - -delta_H 0 # Not possible to calculate enthalpy of reaction H4(H2SiO4)4-4 +8 H2O + 4 SiO2 = H4(H2SiO4)4-4 + 4 H+ + -llnl_gamma 4 + log_k -35.94 + -delta_H 0 # Not possible to calculate enthalpy of reaction H4(H2SiO4)4-4 # Enthalpy of formation: -0 kcal/mol - -4.0000 H+ + 2.0000 HPO4-- = H4P2O7 +1.0000 H2O - -llnl_gamma 3.0 - log_k +15.9263 - -delta_H 29.7226 kJ/mol # Calculated enthalpy of reaction H4P2O7 + +4 H+ + 2 HPO4-2 = H4P2O7 + H2O + -llnl_gamma 3 + log_k 15.9263 + -delta_H 29.7226 kJ/mol # Calculated enthalpy of reaction H4P2O7 # Enthalpy of formation: -2268.6 kJ/mol - -analytic 6.9026e+002 2.4309e-001 -1.6165e+004 -2.7989e+002 -2.7475e+002 + -analytic 6.9026e+2 2.4309e-1 -1.6165e+4 -2.7989e+2 -2.7475e+2 # -Range: 0-200 -8.0000 H2O + 4.0000 SiO2 = H6(H2SiO4)4-- +2.0000 H+ - -llnl_gamma 4.0 - log_k -13.64 - -delta_H 0 # Not possible to calculate enthalpy of reaction H6(H2SiO4)4-2 +8 H2O + 4 SiO2 = H6(H2SiO4)4-2 + 2 H+ + -llnl_gamma 4 + log_k -13.64 + -delta_H 0 # Not possible to calculate enthalpy of reaction H6(H2SiO4)4-2 # Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Al+++ = HAlO2 +3.0000 H+ - -llnl_gamma 3.0 - log_k -16.4329 - -delta_H 144.704 kJ/mol # Calculated enthalpy of reaction HAlO2 + +2 H2O + Al+3 = HAlO2 + 3 H+ + -llnl_gamma 3 + log_k -16.4329 + -delta_H 144.704 kJ/mol # Calculated enthalpy of reaction HAlO2 # Enthalpy of formation: -230.73 kcal/mol - -analytic 4.2012e+001 1.9980e-002 -7.7847e+003 -1.5470e+001 -1.2149e+002 + -analytic 4.2012e+1 1.998e-2 -7.7847e+3 -1.547e+1 -1.2149e+2 # -Range: 0-300 -1.0000 H2AsO3- + 1.0000 H+ = HAsO2 +1.0000 H2O - -llnl_gamma 3.0 - log_k 9.2792 - -delta_H 0 # Not possible to calculate enthalpy of reaction HAsO2 +H2AsO3- + H+ = HAsO2 + H2O + -llnl_gamma 3 + log_k 9.2792 + -delta_H 0 # Not possible to calculate enthalpy of reaction HAsO2 # Enthalpy of formation: -0 kcal/mol - -analytic 3.1290e+002 9.3052e-002 -6.5052e+003 -1.2510e+002 -1.1058e+002 + -analytic 3.129e+2 9.3052e-2 -6.5052e+3 -1.251e+2 -1.1058e+2 # -Range: 0-200 -1.0000 H2AsO4- + 1.0000 H+ + 1.0000 F- = HAsO3F- +1.0000 H2O - -llnl_gamma 4.0 - log_k +46.1158 - -delta_H 0 # Not possible to calculate enthalpy of reaction HAsO3F- +H2AsO4- + H+ + F- = HAsO3F- + H2O + -llnl_gamma 4 + log_k 46.1158 + -delta_H 0 # Not possible to calculate enthalpy of reaction HAsO3F- # Enthalpy of formation: -0 kcal/mol - -1.0000 H2AsO4- = HAsO4-- +1.0000 H+ - -llnl_gamma 4.0 - log_k -6.7583 - -delta_H 3.22168 kJ/mol # Calculated enthalpy of reaction HAsO4-2 + +H2AsO4- = HAsO4-2 + H+ + -llnl_gamma 4 + log_k -6.7583 + -delta_H 3.22168 kJ/mol # Calculated enthalpy of reaction HAsO4-2 # Enthalpy of formation: -216.62 kcal/mol - -analytic -8.4546e+001 -3.4630e-002 1.1829e+003 3.3997e+001 1.8483e+001 + -analytic -8.4546e+1 -3.463e-2 1.1829e+3 3.3997e+1 1.8483e+1 # -Range: 0-300 -3.0000 H+ + 2.0000 HS- + 1.0000 H2AsO3- = HAsS2 +3.0000 H2O - -llnl_gamma 3.0 - log_k +30.4803 - -delta_H 0 # Not possible to calculate enthalpy of reaction HAsS2 +3 H+ + 2 HS- + H2AsO3- = HAsS2 + 3 H2O + -llnl_gamma 3 + log_k 30.4803 + -delta_H 0 # Not possible to calculate enthalpy of reaction HAsS2 # Enthalpy of formation: -0 kcal/mol - -1.0000 H+ + 1.0000 BrO- = HBrO - -llnl_gamma 3.0 - log_k +8.3889 - -delta_H 0 # Not possible to calculate enthalpy of reaction HBrO + +H+ + BrO- = HBrO + -llnl_gamma 3 + log_k 8.3889 + -delta_H 0 # Not possible to calculate enthalpy of reaction HBrO # Enthalpy of formation: -0 kcal/mol - -1.0000 H+ + 1.0000 Cyanide- = HCyanide - -llnl_gamma 3.0 - log_k +9.2359 - -delta_H -43.5136 kJ/mol # Calculated enthalpy of reaction HCyanide + +H+ + Cyanide- = HCyanide + -llnl_gamma 3 + log_k 9.2359 + -delta_H -43.5136 kJ/mol # Calculated enthalpy of reaction HCyanide # Enthalpy of formation: 25.6 kcal/mol - -analytic 1.0536e+001 2.3105e-002 3.3038e+003 -7.7786e+000 5.1550e+001 + -analytic 1.0536e+1 2.3105e-2 3.3038e+3 -7.7786e+0 5.155e+1 # -Range: 0-300 -1.0000 H+ + 1.0000 Cl- = HCl - -llnl_gamma 3.0 - log_k -0.67 - -delta_H 0 # Not possible to calculate enthalpy of reaction HCl +H+ + Cl- = HCl + -llnl_gamma 3 + log_k -0.67 + -delta_H 0 # Not possible to calculate enthalpy of reaction HCl # Enthalpy of formation: -0 kcal/mol - -analytic 4.1893e+002 1.1103e-001 -1.1784e+004 -1.6697e+002 -1.8400e+002 + -analytic 4.1893e+2 1.1103e-1 -1.1784e+4 -1.6697e+2 -1.84e+2 # -Range: 0-300 -1.0000 H+ + 1.0000 ClO- = HClO - -llnl_gamma 3.0 - log_k +7.5692 - -delta_H 0 # Not possible to calculate enthalpy of reaction HClO +H+ + ClO- = HClO + -llnl_gamma 3 + log_k 7.5692 + -delta_H 0 # Not possible to calculate enthalpy of reaction HClO # Enthalpy of formation: -0 kcal/mol - -1.0000 H+ + 1.0000 ClO2- = HClO2 - -llnl_gamma 3.0 - log_k +3.1698 - -delta_H 0 # Not possible to calculate enthalpy of reaction HClO2 + +H+ + ClO2- = HClO2 + -llnl_gamma 3 + log_k 3.1698 + -delta_H 0 # Not possible to calculate enthalpy of reaction HClO2 # Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Co++ = HCoO2- +3.0000 H+ - -llnl_gamma 4.0 - log_k -21.243 - -delta_H 0 # Not possible to calculate enthalpy of reaction HCoO2- + +2 H2O + Co+2 = HCoO2- + 3 H+ + -llnl_gamma 4 + log_k -21.243 + -delta_H 0 # Not possible to calculate enthalpy of reaction HCoO2- # Enthalpy of formation: -0 kcal/mol - -1.0000 H+ + 1.0000 CrO4-- = HCrO4- - -llnl_gamma 4.0 - log_k +6.4944 - -delta_H 2.9288 kJ/mol # Calculated enthalpy of reaction HCrO4- + +H+ + CrO4-2 = HCrO4- + -llnl_gamma 4 + log_k 6.4944 + -delta_H 2.9288 kJ/mol # Calculated enthalpy of reaction HCrO4- # Enthalpy of formation: -209.9 kcal/mol - -analytic 4.4944e+001 3.2740e-002 1.8400e+002 -1.9722e+001 2.8578e+000 + -analytic 4.4944e+1 3.274e-2 1.84e+2 -1.9722e+1 2.8578e+0 # -Range: 0-300 -1.0000 H+ + 1.0000 F- = HF - -llnl_gamma 3.0 - log_k +3.1681 - -delta_H 13.87 kJ/mol # Calculated enthalpy of reaction HF +H+ + F- = HF + -llnl_gamma 3 + log_k 3.1681 + -delta_H 13.87 kJ/mol # Calculated enthalpy of reaction HF # Enthalpy of formation: -76.835 kcal/mol - -analytic 8.6626e+001 3.2861e-002 -2.3026e+003 -3.4559e+001 -3.5956e+001 + -analytic 8.6626e+1 3.2861e-2 -2.3026e+3 -3.4559e+1 -3.5956e+1 # -Range: 0-300 -2.0000 F- + 1.0000 H+ = HF2- - -llnl_gamma 4.0 - log_k +2.5509 - -delta_H 20.7526 kJ/mol # Calculated enthalpy of reaction HF2- +2 F- + H+ = HF2- + -llnl_gamma 4 + log_k 2.5509 + -delta_H 20.7526 kJ/mol # Calculated enthalpy of reaction HF2- # Enthalpy of formation: -155.34 kcal/mol - -analytic 1.4359e+002 4.0866e-002 -4.6776e+003 -5.5574e+001 -7.3032e+001 + -analytic 1.4359e+2 4.0866e-2 -4.6776e+3 -5.5574e+1 -7.3032e+1 # -Range: 0-300 -1.0000 IO3- + 1.0000 H+ = HIO3 - -llnl_gamma 3.0 - log_k +0.4915 - -delta_H 0 # Not possible to calculate enthalpy of reaction HIO3 +IO3- + H+ = HIO3 + -llnl_gamma 3 + log_k 0.4915 + -delta_H 0 # Not possible to calculate enthalpy of reaction HIO3 # Enthalpy of formation: -0 kcal/mol - -1.0000 N3- + 1.0000 H+ = HN3 - -llnl_gamma 3.0 - log_k +4.7001 - -delta_H -15 kJ/mol # Calculated enthalpy of reaction HN3 + +N3- + H+ = HN3 + -llnl_gamma 3 + log_k 4.7001 + -delta_H -15 kJ/mol # Calculated enthalpy of reaction HN3 # Enthalpy of formation: 260.14 kJ/mol - -analytic 6.9976e+001 2.4359e-002 -7.1947e+002 -2.8339e+001 -1.2242e+001 + -analytic 6.9976e+1 2.4359e-2 -7.1947e+2 -2.8339e+1 -1.2242e+1 # -Range: 0-200 -1.0000 NO2- + 1.0000 H+ = HNO2 - -llnl_gamma 3.0 - log_k +3.2206 - -delta_H -14.782 kJ/mol # Calculated enthalpy of reaction HNO2 +NO2- + H+ = HNO2 + -llnl_gamma 3 + log_k 3.2206 + -delta_H -14.782 kJ/mol # Calculated enthalpy of reaction HNO2 # Enthalpy of formation: -119.382 kJ/mol - -analytic 1.9653e+000 -1.1603e-004 0.0000e+000 0.0000e+000 1.1569e+005 + -analytic 1.9653e+0 -1.1603e-4 0e+0 0e+0 1.1569e+5 # -Range: 0-200 -1.0000 NO3- + 1.0000 H+ = HNO3 - -llnl_gamma 3.0 - log_k -1.3025 - -delta_H 16.8155 kJ/mol # Calculated enthalpy of reaction HNO3 +NO3- + H+ = HNO3 + -llnl_gamma 3 + log_k -1.3025 + -delta_H 16.8155 kJ/mol # Calculated enthalpy of reaction HNO3 # Enthalpy of formation: -45.41 kcal/mol - -analytic 9.9744e+001 3.4866e-002 -3.0975e+003 -4.0830e+001 -4.8363e+001 + -analytic 9.9744e+1 3.4866e-2 -3.0975e+3 -4.083e+1 -4.8363e+1 # -Range: 0-300 -2.0000 HPO4-- + 1.0000 H+ = HP2O7--- +1.0000 H2O - -llnl_gamma 4.0 - log_k +5.4498 - -delta_H 23.3326 kJ/mol # Calculated enthalpy of reaction HP2O7-3 +2 HPO4-2 + H+ = HP2O7-3 + H2O + -llnl_gamma 4 + log_k 5.4498 + -delta_H 23.3326 kJ/mol # Calculated enthalpy of reaction HP2O7-3 # Enthalpy of formation: -2274.99 kJ/mol - -analytic 3.9159e+002 1.5438e-001 -8.7071e+003 -1.6283e+002 -1.3598e+002 -# -Range: 0-300 - -2.0000 H+ + 1.0000 HPO4-- + 1.0000 F- = HPO3F- +1.0000 H2O - -llnl_gamma 4.0 - log_k +11.2988 - -delta_H 0 # Not possible to calculate enthalpy of reaction HPO3F- -# Enthalpy of formation: -0 kcal/mol - -1.0000 RuO4 + 1.0000 H2O = HRuO5- +1.0000 H+ - -llnl_gamma 4.0 - log_k -11.5244 - -delta_H 0 # Not possible to calculate enthalpy of reaction HRuO5- -# Enthalpy of formation: -0 kcal/mol - -1.0000 H+ + 1.0000 S2O3-- = HS2O3- - -llnl_gamma 4.0 - log_k 1.0139 - -delta_H 0 # Not possible to calculate enthalpy of reaction HS2O3- -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO3-- + 1.0000 H+ = HSO3- - -llnl_gamma 4.0 - log_k +7.2054 - -delta_H 9.33032 kJ/mol # Calculated enthalpy of reaction HSO3- + -analytic 3.9159e+2 1.5438e-1 -8.7071e+3 -1.6283e+2 -1.3598e+2 +# -Range: 0-300 + +2 H+ + HPO4-2 + F- = HPO3F- + H2O + -llnl_gamma 4 + log_k 11.2988 + -delta_H 0 # Not possible to calculate enthalpy of reaction HPO3F- +# Enthalpy of formation: -0 kcal/mol + +RuO4 + H2O = HRuO5- + H+ + -llnl_gamma 4 + log_k -11.5244 + -delta_H 0 # Not possible to calculate enthalpy of reaction HRuO5- +# Enthalpy of formation: -0 kcal/mol + +H+ + S2O3-2 = HS2O3- + -llnl_gamma 4 + log_k 1.0139 + -delta_H 0 # Not possible to calculate enthalpy of reaction HS2O3- +# Enthalpy of formation: -0 kcal/mol + +SO3-2 + H+ = HSO3- + -llnl_gamma 4 + log_k 7.2054 + -delta_H 9.33032 kJ/mol # Calculated enthalpy of reaction HSO3- # Enthalpy of formation: -149.67 kcal/mol - -analytic 5.5899e+001 3.3623e-002 -5.0120e+002 -2.3040e+001 -7.8373e+000 + -analytic 5.5899e+1 3.3623e-2 -5.012e+2 -2.304e+1 -7.8373e+0 # -Range: 0-300 -1.0000 SO4-- + 1.0000 H+ = HSO4- - -llnl_gamma 4.0 - log_k +1.9791 - -delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction HSO4- +SO4-2 + H+ = HSO4- + -llnl_gamma 4 + log_k 1.9791 + -delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction HSO4- # Enthalpy of formation: -212.5 kcal/mol - -analytic 4.9619e+001 3.0368e-002 -1.1558e+003 -2.1335e+001 -1.8051e+001 + -analytic 4.9619e+1 3.0368e-2 -1.1558e+3 -2.1335e+1 -1.8051e+1 # -Range: 0-300 -4.0000 HS- + 3.0000 H+ + 2.0000 Sb(OH)3 = HSb2S4- +6.0000 H2O - -llnl_gamma 4.0 - log_k +50.6100 - -delta_H 0 # Not possible to calculate enthalpy of reaction HSb2S4- +4 HS- + 3 H+ + 2 Sb(OH)3 = HSb2S4- + 6 H2O + -llnl_gamma 4 + log_k 50.61 + -delta_H 0 # Not possible to calculate enthalpy of reaction HSb2S4- # Enthalpy of formation: -0 kcal/mol - -analytic 1.7540e+002 8.2177e-002 1.0786e+004 -7.4874e+001 1.6826e+002 + -analytic 1.754e+2 8.2177e-2 1.0786e+4 -7.4874e+1 1.6826e+2 # -Range: 0-300 -1.0000 SeO3-- + 1.0000 H+ = HSeO3- - -llnl_gamma 4.0 - log_k +7.2861 - -delta_H -5.35552 kJ/mol # Calculated enthalpy of reaction HSeO3- +SeO3-2 + H+ = HSeO3- + -llnl_gamma 4 + log_k 7.2861 + -delta_H -5.35552 kJ/mol # Calculated enthalpy of reaction HSeO3- # Enthalpy of formation: -122.98 kcal/mol - -analytic 5.0427e+001 3.2250e-002 2.9603e+002 -2.1711e+001 4.6044e+000 + -analytic 5.0427e+1 3.225e-2 2.9603e+2 -2.1711e+1 4.6044e+0 # -Range: 0-300 -1.0000 SeO4-- + 1.0000 H+ = HSeO4- - -llnl_gamma 4.0 - log_k +1.9058 - -delta_H 17.5728 kJ/mol # Calculated enthalpy of reaction HSeO4- +SeO4-2 + H+ = HSeO4- + -llnl_gamma 4 + log_k 1.9058 + -delta_H 17.5728 kJ/mol # Calculated enthalpy of reaction HSeO4- # Enthalpy of formation: -139 kcal/mol - -analytic 1.4160e+002 3.9801e-002 -4.5392e+003 -5.5088e+001 -7.0872e+001 + -analytic 1.416e+2 3.9801e-2 -4.5392e+3 -5.5088e+1 -7.0872e+1 # -Range: 0-300 -1.0000 SiO2 + 1.0000 H2O = HSiO3- +1.0000 H+ - -llnl_gamma 4.0 - log_k -9.9525 - -delta_H 25.991 kJ/mol # Calculated enthalpy of reaction HSiO3- +SiO2 + H2O = HSiO3- + H+ + -llnl_gamma 4 + log_k -9.9525 + -delta_H 25.991 kJ/mol # Calculated enthalpy of reaction HSiO3- # Enthalpy of formation: -271.88 kcal/mol - -analytic 6.4211e+001 -2.4872e-002 -1.2707e+004 -1.4681e+001 1.0853e+006 + -analytic 6.4211e+1 -2.4872e-2 -1.2707e+4 -1.4681e+1 1.0853e+6 # -Range: 0-300 -1.0000 TcO4-- + 1.0000 H+ = HTcO4- - -llnl_gamma 4.0 - log_k +8.7071 - -delta_H 0 # Not possible to calculate enthalpy of reaction HTcO4- +TcO4-2 + H+ = HTcO4- + -llnl_gamma 4 + log_k 8.7071 + -delta_H 0 # Not possible to calculate enthalpy of reaction HTcO4- # Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 VO2+ = HVO4-- +3.0000 H+ - -llnl_gamma 4.0 - log_k -15.1553 - -delta_H 0 # Not possible to calculate enthalpy of reaction HVO4-2 + +2 H2O + VO2+ = HVO4-2 + 3 H+ + -llnl_gamma 4 + log_k -15.1553 + -delta_H 0 # Not possible to calculate enthalpy of reaction HVO4-2 # Enthalpy of formation: -0 kcal/mol - -analytic -7.0660e+001 -5.2457e-002 -3.5380e+003 3.3534e+001 -5.5186e+001 + -analytic -7.066e+1 -5.2457e-2 -3.538e+3 3.3534e+1 -5.5186e+1 # -Range: 0-300 -5.0000 H2O + 1.0000 Hf++++ = Hf(OH)5- +5.0000 H+ - -llnl_gamma 4.0 - log_k -17.1754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hf(OH)5- +5 H2O + Hf+4 = Hf(OH)5- + 5 H+ + -llnl_gamma 4 + log_k -17.1754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hf(OH)5- # Enthalpy of formation: -0 kcal/mol - -1.0000 Hf++++ + 1.0000 H2O = HfOH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -0.2951 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfOH+3 + +Hf+4 + H2O = HfOH+3 + H+ + -llnl_gamma 5 + log_k -0.2951 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfOH+3 # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Hg++ = Hg(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -2.6242 - -delta_H -30.334 kJ/mol # Calculated enthalpy of reaction Hg(Acetate)2 + +2 HAcetate + Hg+2 = Hg(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -2.6242 + -delta_H -30.334 kJ/mol # Calculated enthalpy of reaction Hg(Acetate)2 # Enthalpy of formation: -198.78 kcal/mol - -analytic -2.1959e+001 2.7774e-003 -3.2500e+003 7.7351e+000 9.1508e+005 + -analytic -2.1959e+1 2.7774e-3 -3.25e+3 7.7351e+0 9.1508e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Hg++ = Hg(Acetate)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -4.3247 - -delta_H -59.7057 kJ/mol # Calculated enthalpy of reaction Hg(Acetate)3- +3 HAcetate + Hg+2 = Hg(Acetate)3- + 3 H+ + -llnl_gamma 4 + log_k -4.3247 + -delta_H -59.7057 kJ/mol # Calculated enthalpy of reaction Hg(Acetate)3- # Enthalpy of formation: -321.9 kcal/mol - -analytic 2.1656e+001 -2.0392e-003 -1.2866e+004 -3.2932e+000 2.3073e+006 + -analytic 2.1656e+1 -2.0392e-3 -1.2866e+4 -3.2932e+0 2.3073e+6 # -Range: 0-300 -1.0000 Hg++ + 1.0000 HAcetate = HgAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -0.4691 - -delta_H -16.5686 kJ/mol # Calculated enthalpy of reaction HgAcetate+ +Hg+2 + HAcetate = HgAcetate+ + H+ + -llnl_gamma 4 + log_k -0.4691 + -delta_H -16.5686 kJ/mol # Calculated enthalpy of reaction HgAcetate+ # Enthalpy of formation: -79.39 kcal/mol - -analytic -1.6355e+001 1.9446e-003 -2.6676e+002 5.1978e+000 2.9805e+005 + -analytic -1.6355e+1 1.9446e-3 -2.6676e+2 5.1978e+0 2.9805e+5 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Ho+++ = Ho(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.9844 - -delta_H -28.1583 kJ/mol # Calculated enthalpy of reaction Ho(Acetate)2+ +2 HAcetate + Ho+3 = Ho(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.9844 + -delta_H -28.1583 kJ/mol # Calculated enthalpy of reaction Ho(Acetate)2+ # Enthalpy of formation: -407.93 kcal/mol - -analytic -2.7925e+001 2.5599e-003 -1.4779e+003 8.0785e+000 6.3736e+005 + -analytic -2.7925e+1 2.5599e-3 -1.4779e+3 8.0785e+0 6.3736e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Ho+++ = Ho(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.3783 - -delta_H -47.5721 kJ/mol # Calculated enthalpy of reaction Ho(Acetate)3 +3 HAcetate + Ho+3 = Ho(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.3783 + -delta_H -47.5721 kJ/mol # Calculated enthalpy of reaction Ho(Acetate)3 # Enthalpy of formation: -528.67 kcal/mol - -analytic -6.5547e+001 -1.1963e-004 -1.8887e+002 1.9796e+001 7.9041e+005 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 Ho+++ = Ho(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.3576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Ho+++ = Ho(HPO4)2- - -llnl_gamma 4.0 - log_k +9.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(HPO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Ho+++ = Ho(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.3437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Ho+++ = Ho(SO4)2- - -llnl_gamma 4.0 - log_k +4.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Ho+++ + 1.0000 HAcetate = HoAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.1184 - -delta_H -14.3093 kJ/mol # Calculated enthalpy of reaction HoAcetate+2 + -analytic -6.5547e+1 -1.1963e-4 -1.8887e+2 1.9796e+1 7.9041e+5 +# -Range: 0-300 + +2 HCO3- + Ho+3 = Ho(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.3576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Ho+3 = Ho(HPO4)2- + -llnl_gamma 4 + log_k 9.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Ho+3 = Ho(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -3.3437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Ho+3 = Ho(SO4)2- + -llnl_gamma 4 + log_k 4.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Ho+3 + HAcetate = HoAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.1184 + -delta_H -14.3093 kJ/mol # Calculated enthalpy of reaction HoAcetate+2 # Enthalpy of formation: -288.52 kcal/mol - -analytic -1.8265e+001 1.0753e-003 -6.0695e+002 5.7211e+000 3.3055e+005 + -analytic -1.8265e+1 1.0753e-3 -6.0695e+2 5.7211e+0 3.3055e+5 # -Range: 0-300 -1.0000 Ho+++ + 1.0000 HCO3- = HoCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.2591 - -delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction HoCO3+ +Ho+3 + HCO3- = HoCO3+ + H+ + -llnl_gamma 4 + log_k -2.2591 + -delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction HoCO3+ # Enthalpy of formation: -312.6 kcal/mol - -analytic 2.3773e+002 5.4448e-002 -6.9916e+003 -9.4063e+001 -1.0917e+002 + -analytic 2.3773e+2 5.4448e-2 -6.9916e+3 -9.4063e+1 -1.0917e+2 # -Range: 0-300 -1.0000 Ho+++ + 1.0000 Cl- = HoCl++ - -llnl_gamma 4.5 - log_k +0.2353 - -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction HoCl+2 +Ho+3 + Cl- = HoCl+2 + -llnl_gamma 4.5 + log_k 0.2353 + -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction HoCl+2 # Enthalpy of formation: -205.6 kcal/mol - -analytic 7.3746e+001 3.7733e-002 -1.5627e+003 -3.2126e+001 -2.4407e+001 + -analytic 7.3746e+1 3.7733e-2 -1.5627e+3 -3.2126e+1 -2.4407e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Ho+++ = HoCl2+ - -llnl_gamma 4.0 - log_k -0.0425 - -delta_H 17.8489 kJ/mol # Calculated enthalpy of reaction HoCl2+ +2 Cl- + Ho+3 = HoCl2+ + -llnl_gamma 4 + log_k -0.0425 + -delta_H 17.8489 kJ/mol # Calculated enthalpy of reaction HoCl2+ # Enthalpy of formation: -244.6 kcal/mol - -analytic 1.9928e+002 7.9025e-002 -4.7775e+003 -8.3582e+001 -7.4607e+001 + -analytic 1.9928e+2 7.9025e-2 -4.7775e+3 -8.3582e+1 -7.4607e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Ho+++ = HoCl3 - -llnl_gamma 3.0 - log_k -0.4669 - -delta_H 10.0374 kJ/mol # Calculated enthalpy of reaction HoCl3 +3 Cl- + Ho+3 = HoCl3 + -llnl_gamma 3 + log_k -0.4669 + -delta_H 10.0374 kJ/mol # Calculated enthalpy of reaction HoCl3 # Enthalpy of formation: -286.4 kcal/mol - -analytic 3.8608e+002 1.2638e-001 -9.8339e+003 -1.5809e+002 -1.5356e+002 + -analytic 3.8608e+2 1.2638e-1 -9.8339e+3 -1.5809e+2 -1.5356e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Ho+++ = HoCl4- - -llnl_gamma 4.0 - log_k -0.8913 - -delta_H -12.4181 kJ/mol # Calculated enthalpy of reaction HoCl4- +4 Cl- + Ho+3 = HoCl4- + -llnl_gamma 4 + log_k -0.8913 + -delta_H -12.4181 kJ/mol # Calculated enthalpy of reaction HoCl4- # Enthalpy of formation: -331.7 kcal/mol - -analytic 4.2179e+002 1.2576e-001 -1.0495e+004 -1.7172e+002 -1.6388e+002 + -analytic 4.2179e+2 1.2576e-1 -1.0495e+4 -1.7172e+2 -1.6388e+2 # -Range: 0-300 -1.0000 Ho+++ + 1.0000 F- = HoF++ - -llnl_gamma 4.5 - log_k +4.7352 - -delta_H 22.3844 kJ/mol # Calculated enthalpy of reaction HoF+2 +Ho+3 + F- = HoF+2 + -llnl_gamma 4.5 + log_k 4.7352 + -delta_H 22.3844 kJ/mol # Calculated enthalpy of reaction HoF+2 # Enthalpy of formation: -243.8 kcal/mol - -analytic 9.5294e+001 4.1702e-002 -2.4460e+003 -3.8296e+001 -3.8195e+001 + -analytic 9.5294e+1 4.1702e-2 -2.446e+3 -3.8296e+1 -3.8195e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Ho+++ = HoF2+ - -llnl_gamma 4.0 - log_k +8.2976 - -delta_H 11.7152 kJ/mol # Calculated enthalpy of reaction HoF2+ +2 F- + Ho+3 = HoF2+ + -llnl_gamma 4 + log_k 8.2976 + -delta_H 11.7152 kJ/mol # Calculated enthalpy of reaction HoF2+ # Enthalpy of formation: -326.5 kcal/mol - -analytic 2.2330e+002 8.3497e-002 -4.9105e+003 -9.0272e+001 -7.6690e+001 + -analytic 2.233e+2 8.3497e-2 -4.9105e+3 -9.0272e+1 -7.669e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Ho+++ = HoF3 - -llnl_gamma 3.0 - log_k +10.9071 - -delta_H -12.7612 kJ/mol # Calculated enthalpy of reaction HoF3 +3 F- + Ho+3 = HoF3 + -llnl_gamma 3 + log_k 10.9071 + -delta_H -12.7612 kJ/mol # Calculated enthalpy of reaction HoF3 # Enthalpy of formation: -412.5 kcal/mol - -analytic 4.1587e+002 1.3308e-001 -9.2193e+003 -1.6717e+002 -1.4398e+002 + -analytic 4.1587e+2 1.3308e-1 -9.2193e+3 -1.6717e+2 -1.4398e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Ho+++ = HoF4- - -llnl_gamma 4.0 - log_k +13.0035 - -delta_H -57.7392 kJ/mol # Calculated enthalpy of reaction HoF4- +4 F- + Ho+3 = HoF4- + -llnl_gamma 4 + log_k 13.0035 + -delta_H -57.7392 kJ/mol # Calculated enthalpy of reaction HoF4- # Enthalpy of formation: -503.4 kcal/mol - -analytic 4.4575e+002 1.3182e-001 -8.5485e+003 -1.7916e+002 -1.3352e+002 + -analytic 4.4575e+2 1.3182e-1 -8.5485e+3 -1.7916e+2 -1.3352e+2 # -Range: 0-300 -1.0000 Ho+++ + 1.0000 HPO4-- + 1.0000 H+ = HoH2PO4++ - -llnl_gamma 4.5 - log_k +9.4484 - -delta_H -17.9284 kJ/mol # Calculated enthalpy of reaction HoH2PO4+2 +Ho+3 + HPO4-2 + H+ = HoH2PO4+2 + -llnl_gamma 4.5 + log_k 9.4484 + -delta_H -17.9284 kJ/mol # Calculated enthalpy of reaction HoH2PO4+2 # Enthalpy of formation: -482.1 kcal/mol - -analytic 1.0273e+002 6.3161e-002 5.5160e+002 -4.6035e+001 8.5766e+000 + -analytic 1.0273e+2 6.3161e-2 5.516e+2 -4.6035e+1 8.5766e+0 # -Range: 0-300 -1.0000 Ho+++ + 1.0000 HCO3- = HoHCO3++ - -llnl_gamma 4.5 - log_k +1.6991 - -delta_H 7.52283 kJ/mol # Calculated enthalpy of reaction HoHCO3+2 +Ho+3 + HCO3- = HoHCO3+2 + -llnl_gamma 4.5 + log_k 1.6991 + -delta_H 7.52283 kJ/mol # Calculated enthalpy of reaction HoHCO3+2 # Enthalpy of formation: -332.1 kcal/mol - -analytic 3.3420e+001 3.1394e-002 1.9804e+002 -1.6859e+001 3.0801e+000 + -analytic 3.342e+1 3.1394e-2 1.9804e+2 -1.6859e+1 3.0801e+0 # -Range: 0-300 -1.0000 Ho+++ + 1.0000 HPO4-- = HoHPO4+ - -llnl_gamma 4.0 - log_k +5.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction HoHPO4+ +Ho+3 + HPO4-2 = HoHPO4+ + -llnl_gamma 4 + log_k 5.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction HoHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 Ho+++ = HoNO3++ - -llnl_gamma 4.5 - log_k +0.2148 - -delta_H -30.0035 kJ/mol # Calculated enthalpy of reaction HoNO3+2 + +NO3- + Ho+3 = HoNO3+2 + -llnl_gamma 4.5 + log_k 0.2148 + -delta_H -30.0035 kJ/mol # Calculated enthalpy of reaction HoNO3+2 # Enthalpy of formation: -225.6 kcal/mol - -analytic 1.1069e+001 2.5142e-002 2.3943e+003 -1.0650e+001 3.7358e+001 + -analytic 1.1069e+1 2.5142e-2 2.3943e+3 -1.065e+1 3.7358e+1 # -Range: 0-300 -1.0000 Ho+++ + 1.0000 H2O = HoO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -16.0438 - -delta_H 108.437 kJ/mol # Calculated enthalpy of reaction HoO+ +Ho+3 + H2O = HoO+ + 2 H+ + -llnl_gamma 4 + log_k -16.0438 + -delta_H 108.437 kJ/mol # Calculated enthalpy of reaction HoO+ # Enthalpy of formation: -211.4 kcal/mol - -analytic 1.9152e+002 3.0627e-002 -1.3817e+004 -6.8846e+001 -2.1565e+002 + -analytic 1.9152e+2 3.0627e-2 -1.3817e+4 -6.8846e+1 -2.1565e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Ho+++ = HoO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -33.4804 - -delta_H 274.613 kJ/mol # Calculated enthalpy of reaction HoO2- +2 H2O + Ho+3 = HoO2- + 4 H+ + -llnl_gamma 4 + log_k -33.4804 + -delta_H 274.613 kJ/mol # Calculated enthalpy of reaction HoO2- # Enthalpy of formation: -240 kcal/mol - -analytic 1.7987e+002 1.2731e-002 -2.0007e+004 -6.0642e+001 -3.1224e+002 + -analytic 1.7987e+2 1.2731e-2 -2.0007e+4 -6.0642e+1 -3.1224e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Ho+++ = HoO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -24.5377 - -delta_H 216.873 kJ/mol # Calculated enthalpy of reaction HoO2H +2 H2O + Ho+3 = HoO2H + 3 H+ + -llnl_gamma 3 + log_k -24.5377 + -delta_H 216.873 kJ/mol # Calculated enthalpy of reaction HoO2H # Enthalpy of formation: -253.8 kcal/mol - -analytic 3.3877e+002 4.6282e-002 -2.2925e+004 -1.2133e+002 -3.5782e+002 + -analytic 3.3877e+2 4.6282e-2 -2.2925e+4 -1.2133e+2 -3.5782e+2 # -Range: 0-300 -1.0000 Ho+++ + 1.0000 H2O = HoOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.7609 - -delta_H 76.6383 kJ/mol # Calculated enthalpy of reaction HoOH+2 +Ho+3 + H2O = HoOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.7609 + -delta_H 76.6383 kJ/mol # Calculated enthalpy of reaction HoOH+2 # Enthalpy of formation: -219 kcal/mol - -analytic 7.1326e+001 1.2657e-002 -6.2461e+003 -2.5018e+001 -9.7485e+001 + -analytic 7.1326e+1 1.2657e-2 -6.2461e+3 -2.5018e+1 -9.7485e+1 # -Range: 0-300 -1.0000 Ho+++ + 1.0000 HPO4-- = HoPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k +0.2782 - -delta_H 0 # Not possible to calculate enthalpy of reaction HoPO4 +Ho+3 + HPO4-2 = HoPO4 + H+ + -llnl_gamma 3 + log_k 0.2782 + -delta_H 0 # Not possible to calculate enthalpy of reaction HoPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Ho+++ = HoSO4+ - -llnl_gamma 4.0 - log_k +3.5697 - -delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction HoSO4+ + +SO4-2 + Ho+3 = HoSO4+ + -llnl_gamma 4 + log_k 3.5697 + -delta_H 20.5016 kJ/mol # Calculated enthalpy of reaction HoSO4+ # Enthalpy of formation: -381.5 kcal/mol - -analytic 3.0709e+002 8.6579e-002 -9.0693e+003 -1.2078e+002 -1.4161e+002 + -analytic 3.0709e+2 8.6579e-2 -9.0693e+3 -1.2078e+2 -1.4161e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 K+ = K(Acetate)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -10.2914 - -delta_H -1.79912 kJ/mol # Calculated enthalpy of reaction K(Acetate)2- +2 HAcetate + K+ = K(Acetate)2- + 2 H+ + -llnl_gamma 4 + log_k -10.2914 + -delta_H -1.79912 kJ/mol # Calculated enthalpy of reaction K(Acetate)2- # Enthalpy of formation: -292.9 kcal/mol - -analytic -2.3036e+002 -4.6369e-002 7.0305e+003 8.4997e+001 1.0977e+002 + -analytic -2.3036e+2 -4.6369e-2 7.0305e+3 8.4997e+1 1.0977e+2 # -Range: 0-300 -1.0000 K+ + 1.0000 Br- = KBr - -llnl_gamma 3.0 - log_k -1.7372 - -delta_H 12.5102 kJ/mol # Calculated enthalpy of reaction KBr +K+ + Br- = KBr + -llnl_gamma 3 + log_k -1.7372 + -delta_H 12.5102 kJ/mol # Calculated enthalpy of reaction KBr # Enthalpy of formation: -86.32 kcal/mol - -analytic 1.1320e+002 3.4227e-002 -3.6401e+003 -4.5633e+001 -5.6833e+001 + -analytic 1.132e+2 3.4227e-2 -3.6401e+3 -4.5633e+1 -5.6833e+1 # -Range: 0-300 -1.0000 K+ + 1.0000 HAcetate = KAcetate +1.0000 H+ - -llnl_gamma 3.0 - log_k -5.0211 - -delta_H 4.8116 kJ/mol # Calculated enthalpy of reaction KAcetate +K+ + HAcetate = KAcetate + H+ + -llnl_gamma 3 + log_k -5.0211 + -delta_H 4.8116 kJ/mol # Calculated enthalpy of reaction KAcetate # Enthalpy of formation: -175.22 kcal/mol - -analytic -2.6676e-001 -3.2675e-003 -1.7143e+003 -7.1907e-003 1.7726e+005 + -analytic -2.6676e-1 -3.2675e-3 -1.7143e+3 -7.1907e-3 1.7726e+5 # -Range: 0-300 -1.0000 K+ + 1.0000 Cl- = KCl - -llnl_gamma 3.0 - log_k -1.4946 - -delta_H 14.1963 kJ/mol # Calculated enthalpy of reaction KCl +K+ + Cl- = KCl + -llnl_gamma 3 + log_k -1.4946 + -delta_H 14.1963 kJ/mol # Calculated enthalpy of reaction KCl # Enthalpy of formation: -96.81 kcal/mol - -analytic 1.3650e+002 3.8405e-002 -4.4014e+003 -5.4421e+001 -6.8721e+001 + -analytic 1.365e+2 3.8405e-2 -4.4014e+3 -5.4421e+1 -6.8721e+1 # -Range: 0-300 -1.0000 K+ + 1.0000 HPO4-- = KHPO4- - -llnl_gamma 4.0 - log_k +0.7800 - -delta_H 0 # Not possible to calculate enthalpy of reaction KHPO4- +K+ + HPO4-2 = KHPO4- + -llnl_gamma 4 + log_k 0.78 + -delta_H 0 # Not possible to calculate enthalpy of reaction KHPO4- # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 K+ + 1.0000 H+ = KHSO4 - -llnl_gamma 3.0 - log_k +0.8136 - -delta_H 29.8319 kJ/mol # Calculated enthalpy of reaction KHSO4 + +SO4-2 + K+ + H+ = KHSO4 + -llnl_gamma 3 + log_k 0.8136 + -delta_H 29.8319 kJ/mol # Calculated enthalpy of reaction KHSO4 # Enthalpy of formation: -270.54 kcal/mol - -analytic 1.2620e+002 5.7349e-002 -3.3670e+003 -5.3003e+001 -5.2576e+001 + -analytic 1.262e+2 5.7349e-2 -3.367e+3 -5.3003e+1 -5.2576e+1 # -Range: 0-300 -1.0000 K+ + 1.0000 I- = KI - -llnl_gamma 3.0 - log_k -1.598 - -delta_H 9.16296 kJ/mol # Calculated enthalpy of reaction KI +K+ + I- = KI + -llnl_gamma 3 + log_k -1.598 + -delta_H 9.16296 kJ/mol # Calculated enthalpy of reaction KI # Enthalpy of formation: -71.68 kcal/mol - -analytic 1.0816e+002 3.3683e-002 -3.2143e+003 -4.4054e+001 -5.0187e+001 + -analytic 1.0816e+2 3.3683e-2 -3.2143e+3 -4.4054e+1 -5.0187e+1 # -Range: 0-300 -1.0000 K+ + 1.0000 H2O = KOH +1.0000 H+ - -llnl_gamma 3.0 - log_k -14.46 - -delta_H 0 # Not possible to calculate enthalpy of reaction KOH +K+ + H2O = KOH + H+ + -llnl_gamma 3 + log_k -14.46 + -delta_H 0 # Not possible to calculate enthalpy of reaction KOH # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 K+ = KP2O7--- +1.0000 H2O - -llnl_gamma 4.0 - log_k -1.4286 - -delta_H 34.1393 kJ/mol # Calculated enthalpy of reaction KP2O7-3 + +2 HPO4-2 + K+ = KP2O7-3 + H2O + -llnl_gamma 4 + log_k -1.4286 + -delta_H 34.1393 kJ/mol # Calculated enthalpy of reaction KP2O7-3 # Enthalpy of formation: -2516.36 kJ/mol - -analytic 4.1930e+002 1.4676e-001 -1.1169e+004 -1.7255e+002 -1.7441e+002 + -analytic 4.193e+2 1.4676e-1 -1.1169e+4 -1.7255e+2 -1.7441e+2 # -Range: 0-300 -1.0000 SO4-- + 1.0000 K+ = KSO4- - -llnl_gamma 4.0 - log_k +0.8796 - -delta_H 2.88696 kJ/mol # Calculated enthalpy of reaction KSO4- +SO4-2 + K+ = KSO4- + -llnl_gamma 4 + log_k 0.8796 + -delta_H 2.88696 kJ/mol # Calculated enthalpy of reaction KSO4- # Enthalpy of formation: -276.98 kcal/mol - -analytic 9.9073e+001 3.7817e-002 -2.1628e+003 -4.1297e+001 -3.3779e+001 + -analytic 9.9073e+1 3.7817e-2 -2.1628e+3 -4.1297e+1 -3.3779e+1 # -Range: 0-300 -2.0000 HAcetate + 1.0000 La+++ = La(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -5.3949 - -delta_H -23.1375 kJ/mol # Calculated enthalpy of reaction La(Acetate)2+ +2 HAcetate + La+3 = La(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -5.3949 + -delta_H -23.1375 kJ/mol # Calculated enthalpy of reaction La(Acetate)2+ # Enthalpy of formation: -407.33 kcal/mol - -analytic -1.2805e+001 2.8482e-003 -2.2521e+003 2.9108e+000 6.1659e+005 + -analytic -1.2805e+1 2.8482e-3 -2.2521e+3 2.9108e+0 6.1659e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 La+++ = La(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.5982 - -delta_H -41.9237 kJ/mol # Calculated enthalpy of reaction La(Acetate)3 +3 HAcetate + La+3 = La(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.5982 + -delta_H -41.9237 kJ/mol # Calculated enthalpy of reaction La(Acetate)3 # Enthalpy of formation: -527.92 kcal/mol - -analytic -3.3456e+001 1.2371e-003 -1.5978e+003 8.6343e+000 7.5717e+005 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 La+++ = La(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -8.8576 - -delta_H 0 # Not possible to calculate enthalpy of reaction La(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 La+++ = La(HPO4)2- - -llnl_gamma 4.0 - log_k +8.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction La(HPO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 La+++ = La(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.0437 - -delta_H 0 # Not possible to calculate enthalpy of reaction La(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 La+++ = La(SO4)2- - -llnl_gamma 4.0 - log_k +5.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction La(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 La+++ + 2.0000 H2O = La2(OH)2++++ +2.0000 H+ - -llnl_gamma 5.5 - log_k -22.9902 - -delta_H 0 # Not possible to calculate enthalpy of reaction La2(OH)2+4 -# Enthalpy of formation: -0 kcal/mol - -9.0000 H2O + 5.0000 La+++ = La5(OH)9+6 +9.0000 H+ - -llnl_gamma 6.0 - log_k -71.1557 - -delta_H 0 # Not possible to calculate enthalpy of reaction La5(OH)9+6 -# Enthalpy of formation: -0 kcal/mol - -1.0000 La+++ + 1.0000 HAcetate = LaAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.2063 - -delta_H -12.5938 kJ/mol # Calculated enthalpy of reaction LaAcetate+2 + -analytic -3.3456e+1 1.2371e-3 -1.5978e+3 8.6343e+0 7.5717e+5 +# -Range: 0-300 + +2 HCO3- + La+3 = La(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -8.8576 + -delta_H 0 # Not possible to calculate enthalpy of reaction La(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + La+3 = La(HPO4)2- + -llnl_gamma 4 + log_k 8.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction La(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + La+3 = La(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -7.0437 + -delta_H 0 # Not possible to calculate enthalpy of reaction La(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + La+3 = La(SO4)2- + -llnl_gamma 4 + log_k 5.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction La(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 La+3 + 2 H2O = La2(OH)2+4 + 2 H+ + -llnl_gamma 5.5 + log_k -22.9902 + -delta_H 0 # Not possible to calculate enthalpy of reaction La2(OH)2+4 +# Enthalpy of formation: -0 kcal/mol + +9 H2O + 5 La+3 = La5(OH)9+6 + 9 H+ + -llnl_gamma 6 + log_k -71.1557 + -delta_H 0 # Not possible to calculate enthalpy of reaction La5(OH)9+6 +# Enthalpy of formation: -0 kcal/mol + +La+3 + HAcetate = LaAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.2063 + -delta_H -12.5938 kJ/mol # Calculated enthalpy of reaction LaAcetate+2 # Enthalpy of formation: -288.71 kcal/mol - -analytic -1.0803e+001 8.5239e-004 -1.1143e+003 3.3273e+000 3.4305e+005 + -analytic -1.0803e+1 8.5239e-4 -1.1143e+3 3.3273e+0 3.4305e+5 # -Range: 0-300 -1.0000 La+++ + 1.0000 HCO3- = LaCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.212 - -delta_H 89.5292 kJ/mol # Calculated enthalpy of reaction LaCO3+ +La+3 + HCO3- = LaCO3+ + H+ + -llnl_gamma 4 + log_k -3.212 + -delta_H 89.5292 kJ/mol # Calculated enthalpy of reaction LaCO3+ # Enthalpy of formation: -313.1 kcal/mol - -analytic 2.3046e+002 5.2419e-002 -7.1063e+003 -9.1109e+001 -1.1095e+002 + -analytic 2.3046e+2 5.2419e-2 -7.1063e+3 -9.1109e+1 -1.1095e+2 # -Range: 0-300 -1.0000 La+++ + 1.0000 Cl- = LaCl++ - -llnl_gamma 4.5 - log_k +0.3086 - -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction LaCl+2 +La+3 + Cl- = LaCl+2 + -llnl_gamma 4.5 + log_k 0.3086 + -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction LaCl+2 # Enthalpy of formation: -206.1 kcal/mol - -analytic 7.5802e+001 3.6641e-002 -1.7234e+003 -3.2578e+001 -2.6914e+001 + -analytic 7.5802e+1 3.6641e-2 -1.7234e+3 -3.2578e+1 -2.6914e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 La+++ = LaCl2+ - -llnl_gamma 4.0 - log_k -0.0425 - -delta_H 19.1041 kJ/mol # Calculated enthalpy of reaction LaCl2+ +2 Cl- + La+3 = LaCl2+ + -llnl_gamma 4 + log_k -0.0425 + -delta_H 19.1041 kJ/mol # Calculated enthalpy of reaction LaCl2+ # Enthalpy of formation: -244.9 kcal/mol - -analytic 2.1632e+002 7.9274e-002 -5.5883e+003 -8.9400e+001 -8.7264e+001 + -analytic 2.1632e+2 7.9274e-2 -5.5883e+3 -8.94e+1 -8.7264e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 La+++ = LaCl3 - -llnl_gamma 3.0 - log_k -0.3936 - -delta_H 12.5478 kJ/mol # Calculated enthalpy of reaction LaCl3 +3 Cl- + La+3 = LaCl3 + -llnl_gamma 3 + log_k -0.3936 + -delta_H 12.5478 kJ/mol # Calculated enthalpy of reaction LaCl3 # Enthalpy of formation: -286.4 kcal/mol - -analytic 4.2210e+002 1.2792e-001 -1.1444e+004 -1.7062e+002 -1.7869e+002 + -analytic 4.221e+2 1.2792e-1 -1.1444e+4 -1.7062e+2 -1.7869e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 La+++ = LaCl4- - -llnl_gamma 4.0 - log_k -0.818 - -delta_H -7.81571 kJ/mol # Calculated enthalpy of reaction LaCl4- +4 Cl- + La+3 = LaCl4- + -llnl_gamma 4 + log_k -0.818 + -delta_H -7.81571 kJ/mol # Calculated enthalpy of reaction LaCl4- # Enthalpy of formation: -331.2 kcal/mol - -analytic 4.8802e+002 1.3053e-001 -1.3344e+004 -1.9518e+002 -2.0836e+002 + -analytic 4.8802e+2 1.3053e-1 -1.3344e+4 -1.9518e+2 -2.0836e+2 # -Range: 0-300 -1.0000 La+++ + 1.0000 F- = LaF++ - -llnl_gamma 4.5 - log_k +3.8556 - -delta_H 26.5684 kJ/mol # Calculated enthalpy of reaction LaF+2 +La+3 + F- = LaF+2 + -llnl_gamma 4.5 + log_k 3.8556 + -delta_H 26.5684 kJ/mol # Calculated enthalpy of reaction LaF+2 # Enthalpy of formation: -243.4 kcal/mol - -analytic 9.6765e+001 4.0513e-002 -2.8042e+003 -3.8617e+001 -4.3785e+001 + -analytic 9.6765e+1 4.0513e-2 -2.8042e+3 -3.8617e+1 -4.3785e+1 # -Range: 0-300 -2.0000 F- + 1.0000 La+++ = LaF2+ - -llnl_gamma 4.0 - log_k +6.6850 - -delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction LaF2+ +2 F- + La+3 = LaF2+ + -llnl_gamma 4 + log_k 6.685 + -delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction LaF2+ # Enthalpy of formation: -325.2 kcal/mol - -analytic 2.3923e+002 8.3559e-002 -6.0536e+003 -9.5821e+001 -9.4531e+001 + -analytic 2.3923e+2 8.3559e-2 -6.0536e+3 -9.5821e+1 -9.4531e+1 # -Range: 0-300 -3.0000 F- + 1.0000 La+++ = LaF3 - -llnl_gamma 3.0 - log_k +8.7081 - -delta_H -0.6276 kJ/mol # Calculated enthalpy of reaction LaF3 +3 F- + La+3 = LaF3 + -llnl_gamma 3 + log_k 8.7081 + -delta_H -0.6276 kJ/mol # Calculated enthalpy of reaction LaF3 # Enthalpy of formation: -410.2 kcal/mol - -analytic 4.5123e+002 1.3460e-001 -1.1334e+004 -1.7967e+002 -1.7699e+002 + -analytic 4.5123e+2 1.346e-1 -1.1334e+4 -1.7967e+2 -1.7699e+2 # -Range: 0-300 -4.0000 F- + 1.0000 La+++ = LaF4- - -llnl_gamma 4.0 - log_k +10.3647 - -delta_H -41.4216 kJ/mol # Calculated enthalpy of reaction LaF4- +4 F- + La+3 = LaF4- + -llnl_gamma 4 + log_k 10.3647 + -delta_H -41.4216 kJ/mol # Calculated enthalpy of reaction LaF4- # Enthalpy of formation: -500.1 kcal/mol - -analytic 5.0747e+002 1.3563e-001 -1.1903e+004 -2.0108e+002 -1.8588e+002 + -analytic 5.0747e+2 1.3563e-1 -1.1903e+4 -2.0108e+2 -1.8588e+2 # -Range: 0-300 -1.0000 La+++ + 1.0000 HPO4-- + 1.0000 H+ = LaH2PO4++ - -llnl_gamma 4.5 - log_k +9.7417 - -delta_H -18.3468 kJ/mol # Calculated enthalpy of reaction LaH2PO4+2 +La+3 + HPO4-2 + H+ = LaH2PO4+2 + -llnl_gamma 4.5 + log_k 9.7417 + -delta_H -18.3468 kJ/mol # Calculated enthalpy of reaction LaH2PO4+2 # Enthalpy of formation: -482.8 kcal/mol - -analytic 1.0530e+002 6.2177e-002 4.0686e+002 -4.6642e+001 6.3174e+000 + -analytic 1.053e+2 6.2177e-2 4.0686e+2 -4.6642e+1 6.3174e+0 # -Range: 0-300 -1.0000 La+++ + 1.0000 HCO3- = LaHCO3++ - -llnl_gamma 4.5 - log_k +1.9923 - -delta_H 6.68603 kJ/mol # Calculated enthalpy of reaction LaHCO3+2 +La+3 + HCO3- = LaHCO3+2 + -llnl_gamma 4.5 + log_k 1.9923 + -delta_H 6.68603 kJ/mol # Calculated enthalpy of reaction LaHCO3+2 # Enthalpy of formation: -332.9 kcal/mol - -analytic 3.6032e+001 3.0405e-002 5.1281e+001 -1.7478e+001 7.8933e-001 + -analytic 3.6032e+1 3.0405e-2 5.1281e+1 -1.7478e+1 7.8933e-1 # -Range: 0-300 -1.0000 La+++ + 1.0000 HPO4-- = LaHPO4+ - -llnl_gamma 4.0 - log_k +5.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction LaHPO4+ +La+3 + HPO4-2 = LaHPO4+ + -llnl_gamma 4 + log_k 5.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction LaHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 La+++ = LaNO3++ - -llnl_gamma 4.5 - log_k +0.5813 - -delta_H -29.1667 kJ/mol # Calculated enthalpy of reaction LaNO3+2 + +NO3- + La+3 = LaNO3+2 + -llnl_gamma 4.5 + log_k 0.5813 + -delta_H -29.1667 kJ/mol # Calculated enthalpy of reaction LaNO3+2 # Enthalpy of formation: -226 kcal/mol - -analytic 1.4136e+001 2.4247e-002 2.1998e+003 -1.1371e+001 3.4322e+001 + -analytic 1.4136e+1 2.4247e-2 2.1998e+3 -1.1371e+1 3.4322e+1 # -Range: 0-300 -1.0000 La+++ + 1.0000 H2O = LaO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -18.1696 - -delta_H 121.407 kJ/mol # Calculated enthalpy of reaction LaO+ +La+3 + H2O = LaO+ + 2 H+ + -llnl_gamma 4 + log_k -18.1696 + -delta_H 121.407 kJ/mol # Calculated enthalpy of reaction LaO+ # Enthalpy of formation: -208.9 kcal/mol - -analytic 1.8691e+002 2.9275e-002 -1.4385e+004 -6.6906e+001 -2.2452e+002 + -analytic 1.8691e+2 2.9275e-2 -1.4385e+4 -6.6906e+1 -2.2452e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 La+++ = LaO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -40.8105 - -delta_H 318.126 kJ/mol # Calculated enthalpy of reaction LaO2- +2 H2O + La+3 = LaO2- + 4 H+ + -llnl_gamma 4 + log_k -40.8105 + -delta_H 318.126 kJ/mol # Calculated enthalpy of reaction LaO2- # Enthalpy of formation: -230.2 kcal/mol - -analytic 1.8374e+002 1.2355e-002 -2.2472e+004 -6.1779e+001 -3.5070e+002 + -analytic 1.8374e+2 1.2355e-2 -2.2472e+4 -6.1779e+1 -3.507e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 La+++ = LaO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -27.9095 - -delta_H 237.375 kJ/mol # Calculated enthalpy of reaction LaO2H +2 H2O + La+3 = LaO2H + 3 H+ + -llnl_gamma 3 + log_k -27.9095 + -delta_H 237.375 kJ/mol # Calculated enthalpy of reaction LaO2H # Enthalpy of formation: -249.5 kcal/mol - -analytic 3.3862e+002 4.4808e-002 -2.4083e+004 -1.2088e+002 -3.7589e+002 + -analytic 3.3862e+2 4.4808e-2 -2.4083e+4 -1.2088e+2 -3.7589e+2 # -Range: 0-300 -1.0000 La+++ + 1.0000 H2O = LaOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -8.6405 - -delta_H 82.4959 kJ/mol # Calculated enthalpy of reaction LaOH+2 +La+3 + H2O = LaOH+2 + H+ + -llnl_gamma 4.5 + log_k -8.6405 + -delta_H 82.4959 kJ/mol # Calculated enthalpy of reaction LaOH+2 # Enthalpy of formation: -218.2 kcal/mol - -analytic 6.5529e+001 1.1104e-002 -6.3920e+003 -2.2646e+001 -9.9760e+001 + -analytic 6.5529e+1 1.1104e-2 -6.392e+3 -2.2646e+1 -9.976e+1 # -Range: 0-300 -1.0000 La+++ + 1.0000 HPO4-- = LaPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k -1.3618 - -delta_H 0 # Not possible to calculate enthalpy of reaction LaPO4 +La+3 + HPO4-2 = LaPO4 + H+ + -llnl_gamma 3 + log_k -1.3618 + -delta_H 0 # Not possible to calculate enthalpy of reaction LaPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 La+++ = LaSO4+ - -llnl_gamma 4.0 - log_k +3.6430 - -delta_H 18.4096 kJ/mol # Calculated enthalpy of reaction LaSO4+ + +SO4-2 + La+3 = LaSO4+ + -llnl_gamma 4 + log_k 3.643 + -delta_H 18.4096 kJ/mol # Calculated enthalpy of reaction LaSO4+ # Enthalpy of formation: -382.6 kcal/mol - -analytic 3.0657e+002 8.4093e-002 -9.1074e+003 -1.2019e+002 -1.4220e+002 + -analytic 3.0657e+2 8.4093e-2 -9.1074e+3 -1.2019e+2 -1.422e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Li+ = Li(Acetate)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -9.2674 - -delta_H -24.7609 kJ/mol # Calculated enthalpy of reaction Li(Acetate)2- +2 HAcetate + Li+ = Li(Acetate)2- + 2 H+ + -llnl_gamma 4 + log_k -9.2674 + -delta_H -24.7609 kJ/mol # Calculated enthalpy of reaction Li(Acetate)2- # Enthalpy of formation: -304.67 kcal/mol - -analytic -3.3702e+002 -6.0849e-002 1.1952e+004 1.2359e+002 1.8659e+002 + -analytic -3.3702e+2 -6.0849e-2 1.1952e+4 1.2359e+2 1.8659e+2 # -Range: 0-300 -1.0000 Li+ + 1.0000 HAcetate = LiAcetate +1.0000 H+ - -llnl_gamma 3.0 - log_k -4.4589 - -delta_H -6.64419 kJ/mol # Calculated enthalpy of reaction LiAcetate +Li+ + HAcetate = LiAcetate + H+ + -llnl_gamma 3 + log_k -4.4589 + -delta_H -6.64419 kJ/mol # Calculated enthalpy of reaction LiAcetate # Enthalpy of formation: -184.24 kcal/mol - -analytic -3.8391e+000 -7.3938e-004 -1.0829e+003 3.4134e-001 2.1318e+005 + -analytic -3.8391e+0 -7.3938e-4 -1.0829e+3 3.4134e-1 2.1318e+5 # -Range: 0-300 -1.0000 Li+ + 1.0000 Cl- = LiCl - -llnl_gamma 3.0 - log_k -1.5115 - -delta_H 3.36812 kJ/mol # Calculated enthalpy of reaction LiCl +Li+ + Cl- = LiCl + -llnl_gamma 3 + log_k -1.5115 + -delta_H 3.36812 kJ/mol # Calculated enthalpy of reaction LiCl # Enthalpy of formation: -105.68 kcal/mol - -analytic 1.2484e+002 4.1941e-002 -3.2439e+003 -5.1708e+001 -5.0655e+001 + -analytic 1.2484e+2 4.1941e-2 -3.2439e+3 -5.1708e+1 -5.0655e+1 # -Range: 0-300 -1.0000 Li+ + 1.0000 H2O = LiOH +1.0000 H+ - -llnl_gamma 3.0 - log_k -13.64 - -delta_H 0 # Not possible to calculate enthalpy of reaction LiOH +Li+ + H2O = LiOH + H+ + -llnl_gamma 3 + log_k -13.64 + -delta_H 0 # Not possible to calculate enthalpy of reaction LiOH # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Li+ = LiSO4- - -llnl_gamma 4.0 - log_k +0.7700 - -delta_H 0 # Not possible to calculate enthalpy of reaction LiSO4- + +SO4-2 + Li+ = LiSO4- + -llnl_gamma 4 + log_k 0.77 + -delta_H 0 # Not possible to calculate enthalpy of reaction LiSO4- # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Lu+++ = Lu(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.9625 - -delta_H -38.5346 kJ/mol # Calculated enthalpy of reaction Lu(Acetate)2+ + +2 HAcetate + Lu+3 = Lu(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.9625 + -delta_H -38.5346 kJ/mol # Calculated enthalpy of reaction Lu(Acetate)2+ # Enthalpy of formation: -409.31 kcal/mol - -analytic -2.7341e+001 2.5097e-003 -1.4157e+003 7.5026e+000 6.9682e+005 + -analytic -2.7341e+1 2.5097e-3 -1.4157e+3 7.5026e+0 6.9682e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Lu+++ = Lu(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.3489 - -delta_H -64.5173 kJ/mol # Calculated enthalpy of reaction Lu(Acetate)3 +3 HAcetate + Lu+3 = Lu(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.3489 + -delta_H -64.5173 kJ/mol # Calculated enthalpy of reaction Lu(Acetate)3 # Enthalpy of formation: -531.62 kcal/mol - -analytic -5.0225e+001 3.3508e-003 -6.2901e+002 1.3262e+001 9.0737e+005 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 Lu+++ = Lu(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -6.8576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Lu+++ = Lu(HPO4)2- - -llnl_gamma 4.0 - log_k +10.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(HPO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Lu+++ = Lu(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -2.7437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Lu+++ = Lu(SO4)2- - -llnl_gamma 4.0 - log_k +5.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Lu+++ + 1.0000 HAcetate = LuAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.1037 - -delta_H -18.9703 kJ/mol # Calculated enthalpy of reaction LuAcetate+2 + -analytic -5.0225e+1 3.3508e-3 -6.2901e+2 1.3262e+1 9.0737e+5 +# -Range: 0-300 + +2 HCO3- + Lu+3 = Lu(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -6.8576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Lu+3 = Lu(HPO4)2- + -llnl_gamma 4 + log_k 10.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Lu+3 = Lu(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -2.7437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Lu+3 = Lu(SO4)2- + -llnl_gamma 4 + log_k 5.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Lu+3 + HAcetate = LuAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.1037 + -delta_H -18.9703 kJ/mol # Calculated enthalpy of reaction LuAcetate+2 # Enthalpy of formation: -288.534 kcal/mol - -analytic -6.5982e+000 2.4512e-003 -1.2666e+003 1.4226e+000 4.0045e+005 + -analytic -6.5982e+0 2.4512e-3 -1.2666e+3 1.4226e+0 4.0045e+5 # -Range: 0-300 -1.0000 Lu+++ + 1.0000 HCO3- = LuCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.0392 - -delta_H 78.2324 kJ/mol # Calculated enthalpy of reaction LuCO3+ +Lu+3 + HCO3- = LuCO3+ + H+ + -llnl_gamma 4 + log_k -2.0392 + -delta_H 78.2324 kJ/mol # Calculated enthalpy of reaction LuCO3+ # Enthalpy of formation: -314.1 kcal/mol - -analytic 2.3840e+002 5.4774e-002 -6.8317e+003 -9.4500e+001 -1.0667e+002 + -analytic 2.384e+2 5.4774e-2 -6.8317e+3 -9.45e+1 -1.0667e+2 # -Range: 0-300 -1.0000 Lu+++ + 1.0000 Cl- = LuCl++ - -llnl_gamma 4.5 - log_k -0.0579 - -delta_H 13.5269 kJ/mol # Calculated enthalpy of reaction LuCl+2 +Lu+3 + Cl- = LuCl+2 + -llnl_gamma 4.5 + log_k -0.0579 + -delta_H 13.5269 kJ/mol # Calculated enthalpy of reaction LuCl+2 # Enthalpy of formation: -204.6 kcal/mol - -analytic 6.6161e+001 3.6521e-002 -1.2938e+003 -2.9397e+001 -2.0209e+001 + -analytic 6.6161e+1 3.6521e-2 -1.2938e+3 -2.9397e+1 -2.0209e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Lu+++ = LuCl2+ - -llnl_gamma 4.0 - log_k -0.6289 - -delta_H 15.7569 kJ/mol # Calculated enthalpy of reaction LuCl2+ +2 Cl- + Lu+3 = LuCl2+ + -llnl_gamma 4 + log_k -0.6289 + -delta_H 15.7569 kJ/mol # Calculated enthalpy of reaction LuCl2+ # Enthalpy of formation: -244 kcal/mol - -analytic 1.8608e+002 7.7283e-002 -4.2349e+003 -7.9007e+001 -6.6137e+001 + -analytic 1.8608e+2 7.7283e-2 -4.2349e+3 -7.9007e+1 -6.6137e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Lu+++ = LuCl3 - -llnl_gamma 3.0 - log_k -1.1999 - -delta_H 3.56895 kJ/mol # Calculated enthalpy of reaction LuCl3 +3 Cl- + Lu+3 = LuCl3 + -llnl_gamma 3 + log_k -1.1999 + -delta_H 3.56895 kJ/mol # Calculated enthalpy of reaction LuCl3 # Enthalpy of formation: -286.846 kcal/mol - -analytic 3.7060e+002 1.2564e-001 -8.9374e+003 -1.5325e+002 -1.3957e+002 + -analytic 3.706e+2 1.2564e-1 -8.9374e+3 -1.5325e+2 -1.3957e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Lu+++ = LuCl4- - -llnl_gamma 4.0 - log_k -1.771 - -delta_H -25.8069 kJ/mol # Calculated enthalpy of reaction LuCl4- +4 Cl- + Lu+3 = LuCl4- + -llnl_gamma 4 + log_k -1.771 + -delta_H -25.8069 kJ/mol # Calculated enthalpy of reaction LuCl4- # Enthalpy of formation: -333.8 kcal/mol - -analytic 3.8876e+002 1.2200e-001 -8.6965e+003 -1.6071e+002 -1.3582e+002 + -analytic 3.8876e+2 1.22e-1 -8.6965e+3 -1.6071e+2 -1.3582e+2 # -Range: 0-300 -1.0000 Lu+++ + 1.0000 F- = LuF++ - -llnl_gamma 4.5 - log_k +4.8085 - -delta_H 25.7316 kJ/mol # Calculated enthalpy of reaction LuF+2 +Lu+3 + F- = LuF+2 + -llnl_gamma 4.5 + log_k 4.8085 + -delta_H 25.7316 kJ/mol # Calculated enthalpy of reaction LuF+2 # Enthalpy of formation: -241.9 kcal/mol - -analytic 9.0303e+001 4.0963e-002 -2.4140e+003 -3.6203e+001 -3.7694e+001 + -analytic 9.0303e+1 4.0963e-2 -2.414e+3 -3.6203e+1 -3.7694e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Lu+++ = LuF2+ - -llnl_gamma 4.0 - log_k +8.4442 - -delta_H 14.2256 kJ/mol # Calculated enthalpy of reaction LuF2+ +2 F- + Lu+3 = LuF2+ + -llnl_gamma 4 + log_k 8.4442 + -delta_H 14.2256 kJ/mol # Calculated enthalpy of reaction LuF2+ # Enthalpy of formation: -324.8 kcal/mol - -analytic 2.1440e+002 8.2559e-002 -4.7009e+003 -8.6790e+001 -7.3417e+001 + -analytic 2.144e+2 8.2559e-2 -4.7009e+3 -8.679e+1 -7.3417e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Lu+++ = LuF3 - -llnl_gamma 3.0 - log_k +11.0999 - -delta_H -12.3428 kJ/mol # Calculated enthalpy of reaction LuF3 +3 F- + Lu+3 = LuF3 + -llnl_gamma 3 + log_k 11.0999 + -delta_H -12.3428 kJ/mol # Calculated enthalpy of reaction LuF3 # Enthalpy of formation: -411.3 kcal/mol - -analytic 4.0247e+002 1.3233e-001 -8.6775e+003 -1.6232e+002 -1.3552e+002 + -analytic 4.0247e+2 1.3233e-1 -8.6775e+3 -1.6232e+2 -1.3552e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Lu+++ = LuF4- - -llnl_gamma 4.0 - log_k +13.2967 - -delta_H -64.0152 kJ/mol # Calculated enthalpy of reaction LuF4- +4 F- + Lu+3 = LuF4- + -llnl_gamma 4 + log_k 13.2967 + -delta_H -64.0152 kJ/mol # Calculated enthalpy of reaction LuF4- # Enthalpy of formation: -503.8 kcal/mol - -analytic 4.2541e+002 1.3070e-001 -7.4276e+003 -1.7220e+002 -1.1603e+002 + -analytic 4.2541e+2 1.307e-1 -7.4276e+3 -1.722e+2 -1.1603e+2 # -Range: 0-300 -1.0000 Lu+++ + 1.0000 HPO4-- + 1.0000 H+ = LuH2PO4++ - -llnl_gamma 4.5 - log_k +9.5950 - -delta_H -23.786 kJ/mol # Calculated enthalpy of reaction LuH2PO4+2 +Lu+3 + HPO4-2 + H+ = LuH2PO4+2 + -llnl_gamma 4.5 + log_k 9.595 + -delta_H -23.786 kJ/mol # Calculated enthalpy of reaction LuH2PO4+2 # Enthalpy of formation: -482.4 kcal/mol - -analytic 9.4223e+001 6.1797e-002 1.1102e+003 -4.3131e+001 1.7296e+001 + -analytic 9.4223e+1 6.1797e-2 1.1102e+3 -4.3131e+1 1.7296e+1 # -Range: 0-300 -1.0000 Lu+++ + 1.0000 HCO3- = LuHCO3++ - -llnl_gamma 4.5 - log_k +1.9190 - -delta_H 1.66523 kJ/mol # Calculated enthalpy of reaction LuHCO3+2 +Lu+3 + HCO3- = LuHCO3+2 + -llnl_gamma 4.5 + log_k 1.919 + -delta_H 1.66523 kJ/mol # Calculated enthalpy of reaction LuHCO3+2 # Enthalpy of formation: -332.4 kcal/mol - -analytic 2.3187e+001 2.9604e-002 8.1268e+002 -1.3252e+001 1.2674e+001 + -analytic 2.3187e+1 2.9604e-2 8.1268e+2 -1.3252e+1 1.2674e+1 # -Range: 0-300 -1.0000 Lu+++ + 1.0000 HPO4-- = LuHPO4+ - -llnl_gamma 4.0 - log_k +6.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction LuHPO4+ +Lu+3 + HPO4-2 = LuHPO4+ + -llnl_gamma 4 + log_k 6 + -delta_H 0 # Not possible to calculate enthalpy of reaction LuHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 Lu+++ = LuNO3++ - -llnl_gamma 4.5 - log_k +0.5813 - -delta_H -41.7187 kJ/mol # Calculated enthalpy of reaction LuNO3+2 + +NO3- + Lu+3 = LuNO3+2 + -llnl_gamma 4.5 + log_k 0.5813 + -delta_H -41.7187 kJ/mol # Calculated enthalpy of reaction LuNO3+2 # Enthalpy of formation: -227.3 kcal/mol - -analytic 1.7412e+000 2.3703e-002 3.2605e+003 -7.7334e+000 5.0876e+001 + -analytic 1.7412e+0 2.3703e-2 3.2605e+3 -7.7334e+0 5.0876e+1 # -Range: 0-300 -1.0000 Lu+++ + 1.0000 H2O = LuO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -15.3108 - -delta_H 99.6503 kJ/mol # Calculated enthalpy of reaction LuO+ +Lu+3 + H2O = LuO+ + 2 H+ + -llnl_gamma 4 + log_k -15.3108 + -delta_H 99.6503 kJ/mol # Calculated enthalpy of reaction LuO+ # Enthalpy of formation: -212.4 kcal/mol - -analytic 1.5946e+002 2.6603e-002 -1.2215e+004 -5.7276e+001 -1.9065e+002 + -analytic 1.5946e+2 2.6603e-2 -1.2215e+4 -5.7276e+1 -1.9065e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Lu+++ = LuO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -31.9411 - -delta_H 258.713 kJ/mol # Calculated enthalpy of reaction LuO2- +2 H2O + Lu+3 = LuO2- + 4 H+ + -llnl_gamma 4 + log_k -31.9411 + -delta_H 258.713 kJ/mol # Calculated enthalpy of reaction LuO2- # Enthalpy of formation: -242.7 kcal/mol - -analytic 1.1522e+002 5.0221e-003 -1.6847e+004 -3.7244e+001 -2.6292e+002 + -analytic 1.1522e+2 5.0221e-3 -1.6847e+4 -3.7244e+1 -2.6292e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Lu+++ = LuO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -23.878 - -delta_H 206.832 kJ/mol # Calculated enthalpy of reaction LuO2H +2 H2O + Lu+3 = LuO2H + 3 H+ + -llnl_gamma 3 + log_k -23.878 + -delta_H 206.832 kJ/mol # Calculated enthalpy of reaction LuO2H # Enthalpy of formation: -255.1 kcal/mol - -analytic 2.8768e+002 4.2338e-002 -2.0443e+004 -1.0330e+002 -3.1907e+002 + -analytic 2.8768e+2 4.2338e-2 -2.0443e+4 -1.033e+2 -3.1907e+2 # -Range: 0-300 -1.0000 Lu+++ + 1.0000 H2O = LuOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.6143 - -delta_H 72.0359 kJ/mol # Calculated enthalpy of reaction LuOH+2 +Lu+3 + H2O = LuOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.6143 + -delta_H 72.0359 kJ/mol # Calculated enthalpy of reaction LuOH+2 # Enthalpy of formation: -219 kcal/mol - -analytic 4.2937e+001 9.2421e-003 -4.9953e+003 -1.4769e+001 -7.7960e+001 + -analytic 4.2937e+1 9.2421e-3 -4.9953e+3 -1.4769e+1 -7.796e+1 # -Range: 0-300 -1.0000 Lu+++ + 1.0000 HPO4-- = LuPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k +0.6782 - -delta_H 0 # Not possible to calculate enthalpy of reaction LuPO4 +Lu+3 + HPO4-2 = LuPO4 + H+ + -llnl_gamma 3 + log_k 0.6782 + -delta_H 0 # Not possible to calculate enthalpy of reaction LuPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Lu+++ = LuSO4+ - -llnl_gamma 4.0 - log_k +3.5697 - -delta_H 19.5393 kJ/mol # Calculated enthalpy of reaction LuSO4+ + +SO4-2 + Lu+3 = LuSO4+ + -llnl_gamma 4 + log_k 3.5697 + -delta_H 19.5393 kJ/mol # Calculated enthalpy of reaction LuSO4+ # Enthalpy of formation: -380.63 kcal/mol - -analytic 3.0108e+002 8.5238e-002 -8.8411e+003 -1.1850e+002 -1.3805e+002 + -analytic 3.0108e+2 8.5238e-2 -8.8411e+3 -1.185e+2 -1.3805e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Mg++ = Mg(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -7.473 - -delta_H -23.8195 kJ/mol # Calculated enthalpy of reaction Mg(Acetate)2 +2 HAcetate + Mg+2 = Mg(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -7.473 + -delta_H -23.8195 kJ/mol # Calculated enthalpy of reaction Mg(Acetate)2 # Enthalpy of formation: -349.26 kcal/mol - -analytic -4.3954e+001 -3.1842e-004 -1.2033e+003 1.3556e+001 6.3058e+005 + -analytic -4.3954e+1 -3.1842e-4 -1.2033e+3 1.3556e+1 6.3058e+5 # -Range: 0-300 -4.0000 Mg++ + 4.0000 H2O = Mg4(OH)4++++ +4.0000 H+ - -llnl_gamma 5.5 - log_k -39.75 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mg4(OH)4+4 +4 Mg+2 + 4 H2O = Mg4(OH)4+4 + 4 H+ + -llnl_gamma 5.5 + log_k -39.75 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mg4(OH)4+4 # Enthalpy of formation: -0 kcal/mol - -1.0000 Mg++ + 1.0000 H2O + 1.0000 B(OH)3 = MgB(OH)4+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -7.3467 - -delta_H 0 # Not possible to calculate enthalpy of reaction MgB(OH)4+ + +Mg+2 + H2O + B(OH)3 = MgB(OH)4+ + H+ + -llnl_gamma 4 + log_k -7.3467 + -delta_H 0 # Not possible to calculate enthalpy of reaction MgB(OH)4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Mg++ + 1.0000 HAcetate = MgAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.4781 - -delta_H -8.42239 kJ/mol # Calculated enthalpy of reaction MgAcetate+ + +Mg+2 + HAcetate = MgAcetate+ + H+ + -llnl_gamma 4 + log_k -3.4781 + -delta_H -8.42239 kJ/mol # Calculated enthalpy of reaction MgAcetate+ # Enthalpy of formation: -229.48 kcal/mol - -analytic -2.3548e+001 -1.6071e-003 -4.2228e+002 7.7009e+000 2.5981e+005 + -analytic -2.3548e+1 -1.6071e-3 -4.2228e+2 7.7009e+0 2.5981e+5 # -Range: 0-300 -1.0000 Mg++ + 1.0000 HCO3- = MgCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -7.3499 - -delta_H 23.8279 kJ/mol # Calculated enthalpy of reaction MgCO3 +Mg+2 + HCO3- = MgCO3 + H+ + -llnl_gamma 3 + log_k -7.3499 + -delta_H 23.8279 kJ/mol # Calculated enthalpy of reaction MgCO3 # Enthalpy of formation: -270.57 kcal/mol - -analytic 2.3465e+002 5.5538e-002 -8.3947e+003 -9.3104e+001 -1.3106e+002 + -analytic 2.3465e+2 5.5538e-2 -8.3947e+3 -9.3104e+1 -1.3106e+2 # -Range: 0-300 -1.0000 Mg++ + 1.0000 Cl- = MgCl+ - -llnl_gamma 4.0 - log_k -0.1349 - -delta_H -0.58576 kJ/mol # Calculated enthalpy of reaction MgCl+ +Mg+2 + Cl- = MgCl+ + -llnl_gamma 4 + log_k -0.1349 + -delta_H -0.58576 kJ/mol # Calculated enthalpy of reaction MgCl+ # Enthalpy of formation: -151.44 kcal/mol - -analytic 4.3363e+001 3.2858e-002 1.1878e+002 -2.1688e+001 1.8403e+000 + -analytic 4.3363e+1 3.2858e-2 1.1878e+2 -2.1688e+1 1.8403e+0 # -Range: 0-300 -1.0000 Mg++ + 1.0000 F- = MgF+ - -llnl_gamma 4.0 - log_k +1.3524 - -delta_H 2.37233 kJ/mol # Calculated enthalpy of reaction MgF+ +Mg+2 + F- = MgF+ + -llnl_gamma 4 + log_k 1.3524 + -delta_H 2.37233 kJ/mol # Calculated enthalpy of reaction MgF+ # Enthalpy of formation: -190.95 kcal/mol - -analytic 6.4311e+001 3.5184e-002 -7.3241e+002 -2.8678e+001 -1.1448e+001 + -analytic 6.4311e+1 3.5184e-2 -7.3241e+2 -2.8678e+1 -1.1448e+1 # -Range: 0-300 -1.0000 Mg++ + 1.0000 HPO4-- + 1.0000 H+ = MgH2PO4+ - -llnl_gamma 4.0 - log_k +1.6600 - -delta_H 0 # Not possible to calculate enthalpy of reaction MgH2PO4+ +Mg+2 + HPO4-2 + H+ = MgH2PO4+ + -llnl_gamma 4 + log_k 1.66 + -delta_H 0 # Not possible to calculate enthalpy of reaction MgH2PO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Mg++ + 1.0000 HCO3- = MgHCO3+ - -llnl_gamma 4.0 - log_k +1.0357 - -delta_H 2.15476 kJ/mol # Calculated enthalpy of reaction MgHCO3+ + +Mg+2 + HCO3- = MgHCO3+ + -llnl_gamma 4 + log_k 1.0357 + -delta_H 2.15476 kJ/mol # Calculated enthalpy of reaction MgHCO3+ # Enthalpy of formation: -275.75 kcal/mol - -analytic 3.8459e+001 3.0076e-002 9.8068e+001 -1.8869e+001 1.5187e+000 + -analytic 3.8459e+1 3.0076e-2 9.8068e+1 -1.8869e+1 1.5187e+0 # -Range: 0-300 -1.0000 Mg++ + 1.0000 HPO4-- = MgHPO4 - -llnl_gamma 3.0 - log_k +2.9100 - -delta_H 0 # Not possible to calculate enthalpy of reaction MgHPO4 +Mg+2 + HPO4-2 = MgHPO4 + -llnl_gamma 3 + log_k 2.91 + -delta_H 0 # Not possible to calculate enthalpy of reaction MgHPO4 # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Mg++ = MgP2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +3.4727 - -delta_H 38.5451 kJ/mol # Calculated enthalpy of reaction MgP2O7-2 + +2 HPO4-2 + Mg+2 = MgP2O7-2 + H2O + -llnl_gamma 4 + log_k 3.4727 + -delta_H 38.5451 kJ/mol # Calculated enthalpy of reaction MgP2O7-2 # Enthalpy of formation: -2725.74 kJ/mol - -analytic 4.8038e+002 1.2530e-001 -1.5175e+004 -1.8724e+002 -2.3693e+002 + -analytic 4.8038e+2 1.253e-1 -1.5175e+4 -1.8724e+2 -2.3693e+2 # -Range: 0-300 -1.0000 Mg++ + 1.0000 HPO4-- = MgPO4- +1.0000 H+ - -llnl_gamma 4.0 - log_k -5.7328 - -delta_H 0 # Not possible to calculate enthalpy of reaction MgPO4- +Mg+2 + HPO4-2 = MgPO4- + H+ + -llnl_gamma 4 + log_k -5.7328 + -delta_H 0 # Not possible to calculate enthalpy of reaction MgPO4- # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Mg++ = MgSO4 - -llnl_gamma 3.0 - log_k +2.4117 - -delta_H 19.6051 kJ/mol # Calculated enthalpy of reaction MgSO4 + +SO4-2 + Mg+2 = MgSO4 + -llnl_gamma 3 + log_k 2.4117 + -delta_H 19.6051 kJ/mol # Calculated enthalpy of reaction MgSO4 # Enthalpy of formation: -1355.96 kJ/mol - -analytic 1.7994e+002 6.4715e-002 -4.7314e+003 -7.3123e+001 -8.0408e+001 + -analytic 1.7994e+2 6.4715e-2 -4.7314e+3 -7.3123e+1 -8.0408e+1 # -Range: 0-200 -2.0000 HAcetate + 1.0000 Mn++ = Mn(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -7.4547 - -delta_H -11.4893 kJ/mol # Calculated enthalpy of reaction Mn(Acetate)2 +2 HAcetate + Mn+2 = Mn(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -7.4547 + -delta_H -11.4893 kJ/mol # Calculated enthalpy of reaction Mn(Acetate)2 # Enthalpy of formation: -287.67 kcal/mol - -analytic -9.0558e-001 5.9656e-003 -4.3531e+003 -1.1063e+000 8.0323e+005 + -analytic -9.0558e-1 5.9656e-3 -4.3531e+3 -1.1063e+0 8.0323e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Mn++ = Mn(Acetate)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -11.8747 - -delta_H -30.3591 kJ/mol # Calculated enthalpy of reaction Mn(Acetate)3- +3 HAcetate + Mn+2 = Mn(Acetate)3- + 3 H+ + -llnl_gamma 4 + log_k -11.8747 + -delta_H -30.3591 kJ/mol # Calculated enthalpy of reaction Mn(Acetate)3- # Enthalpy of formation: -408.28 kcal/mol - -analytic -3.8531e+000 -9.9140e-003 -1.2065e+004 5.1424e+000 2.0175e+006 -# -Range: 0-300 - -2.0000 NO3- + 1.0000 Mn++ = Mn(NO3)2 - -llnl_gamma 3.0 - log_k +0.6000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(NO3)2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Mn++ = Mn(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -22.2 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Mn++ = Mn(OH)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -34.2278 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 Mn++ = Mn(OH)4-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -48.3 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)4-2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 2.0000 Mn++ = Mn2(OH)3+ +3.0000 H+ - -llnl_gamma 4.0 - log_k -23.9 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mn2(OH)3+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 Mn++ + 1.0000 H2O = Mn2OH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -10.56 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mn2OH+3 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Mn++ + 1.0000 HAcetate = MnAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.5404 - -delta_H -3.07942 kJ/mol # Calculated enthalpy of reaction MnAcetate+ + -analytic -3.8531e+0 -9.914e-3 -1.2065e+4 5.1424e+0 2.0175e+6 +# -Range: 0-300 + +2 NO3- + Mn+2 = Mn(NO3)2 + -llnl_gamma 3 + log_k 0.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(NO3)2 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Mn+2 = Mn(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -22.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)2 +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Mn+2 = Mn(OH)3- + 3 H+ + -llnl_gamma 4 + log_k -34.2278 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)3- +# Enthalpy of formation: -0 kcal/mol + +4 H2O + Mn+2 = Mn(OH)4-2 + 4 H+ + -llnl_gamma 4 + log_k -48.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)4-2 +# Enthalpy of formation: -0 kcal/mol + +3 H2O + 2 Mn+2 = Mn2(OH)3+ + 3 H+ + -llnl_gamma 4 + log_k -23.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mn2(OH)3+ +# Enthalpy of formation: -0 kcal/mol + +2 Mn+2 + H2O = Mn2OH+3 + H+ + -llnl_gamma 5 + log_k -10.56 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mn2OH+3 +# Enthalpy of formation: -0 kcal/mol + +Mn+2 + HAcetate = MnAcetate+ + H+ + -llnl_gamma 4 + log_k -3.5404 + -delta_H -3.07942 kJ/mol # Calculated enthalpy of reaction MnAcetate+ # Enthalpy of formation: -169.56 kcal/mol - -analytic -1.4061e+001 1.8149e-003 -8.6438e+002 4.0354e+000 2.5831e+005 + -analytic -1.4061e+1 1.8149e-3 -8.6438e+2 4.0354e+0 2.5831e+5 # -Range: 0-300 -1.0000 Mn++ + 1.0000 HCO3- = MnCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -5.8088 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnCO3 +Mn+2 + HCO3- = MnCO3 + H+ + -llnl_gamma 3 + log_k -5.8088 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnCO3 # Enthalpy of formation: -0 kcal/mol - -1.0000 Mn++ + 1.0000 Cl- = MnCl+ - -llnl_gamma 4.0 - log_k +0.3013 - -delta_H 18.3134 kJ/mol # Calculated enthalpy of reaction MnCl+ + +Mn+2 + Cl- = MnCl+ + -llnl_gamma 4 + log_k 0.3013 + -delta_H 18.3134 kJ/mol # Calculated enthalpy of reaction MnCl+ # Enthalpy of formation: -88.28 kcal/mol - -analytic 8.7072e+001 4.0361e-002 -2.1786e+003 -3.6966e+001 -3.4022e+001 -# -Range: 0-300 - -3.0000 Cl- + 1.0000 Mn++ = MnCl3- - -llnl_gamma 4.0 - log_k -0.3324 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnCl3- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Mn++ + 1.0000 F- = MnF+ - -llnl_gamma 4.0 - log_k +1.4300 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnF+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Mn++ + 1.0000 HPO4-- + 1.0000 H+ = MnH2PO4+ - -llnl_gamma 4.0 - log_k +8.5554 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnH2PO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Mn++ + 1.0000 HCO3- = MnHCO3+ - -llnl_gamma 4.0 - log_k +0.8816 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnHCO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Mn++ + 1.0000 HPO4-- = MnHPO4 - -llnl_gamma 3.0 - log_k +3.5800 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnHPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 NO3- + 1.0000 Mn++ = MnNO3+ - -llnl_gamma 4.0 - log_k +0.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnNO3+ -# Enthalpy of formation: -0 kcal/mol - -1.5000 H2O + 1.2500 O2 + 1.0000 Mn++ = MnO4- +3.0000 H+ - -llnl_gamma 3.5 - log_k -20.2963 - -delta_H 123.112 kJ/mol # Calculated enthalpy of reaction MnO4- + -analytic 8.7072e+1 4.0361e-2 -2.1786e+3 -3.6966e+1 -3.4022e+1 +# -Range: 0-300 + +3 Cl- + Mn+2 = MnCl3- + -llnl_gamma 4 + log_k -0.3324 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnCl3- +# Enthalpy of formation: -0 kcal/mol + +Mn+2 + F- = MnF+ + -llnl_gamma 4 + log_k 1.43 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnF+ +# Enthalpy of formation: -0 kcal/mol + +Mn+2 + HPO4-2 + H+ = MnH2PO4+ + -llnl_gamma 4 + log_k 8.5554 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnH2PO4+ +# Enthalpy of formation: -0 kcal/mol + +Mn+2 + HCO3- = MnHCO3+ + -llnl_gamma 4 + log_k 0.8816 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnHCO3+ +# Enthalpy of formation: -0 kcal/mol + +Mn+2 + HPO4-2 = MnHPO4 + -llnl_gamma 3 + log_k 3.58 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnHPO4 +# Enthalpy of formation: -0 kcal/mol + +NO3- + Mn+2 = MnNO3+ + -llnl_gamma 4 + log_k 0.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnNO3+ +# Enthalpy of formation: -0 kcal/mol + +1.5 H2O + 1.25 O2 + Mn+2 = MnO4- + 3 H+ + -llnl_gamma 3.5 + log_k -20.2963 + -delta_H 123.112 kJ/mol # Calculated enthalpy of reaction MnO4- # Enthalpy of formation: -129.4 kcal/mol - -analytic 1.8544e+001 -1.7618e-002 -6.7332e+003 -3.3193e+000 -2.4924e+005 + -analytic 1.8544e+1 -1.7618e-2 -6.7332e+3 -3.3193e+0 -2.4924e+5 # -Range: 0-300 -1.0000 Mn++ + 1.0000 H2O = MnOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -10.59 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnOH+ +Mn+2 + H2O = MnOH+ + H+ + -llnl_gamma 4 + log_k -10.59 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnOH+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Mn++ + 1.0000 HPO4-- = MnPO4- +1.0000 H+ - -llnl_gamma 4.0 - log_k -5.1318 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnPO4- + +Mn+2 + HPO4-2 = MnPO4- + H+ + -llnl_gamma 4 + log_k -5.1318 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnPO4- # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Mn++ = MnSO4 - -llnl_gamma 3.0 - log_k +2.3529 - -delta_H 14.1168 kJ/mol # Calculated enthalpy of reaction MnSO4 + +SO4-2 + Mn+2 = MnSO4 + -llnl_gamma 3 + log_k 2.3529 + -delta_H 14.1168 kJ/mol # Calculated enthalpy of reaction MnSO4 # Enthalpy of formation: -266.75 kcal/mol - -analytic 2.9448e+002 8.5294e-002 -8.1366e+003 -1.1729e+002 -1.2705e+002 + -analytic 2.9448e+2 8.5294e-2 -8.1366e+3 -1.1729e+2 -1.2705e+2 # -Range: 0-300 -1.0000 SeO4-- + 1.0000 Mn++ = MnSeO4 - -llnl_gamma 3.0 - log_k +2.4300 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnSeO4 +SeO4-2 + Mn+2 = MnSeO4 + -llnl_gamma 3 + log_k 2.43 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnSeO4 # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 NH3 = NH4(Acetate)2- +1.0000 H+ - -llnl_gamma 4.0 - log_k -0.1928 - -delta_H -56.735 kJ/mol # Calculated enthalpy of reaction NH4(Acetate)2- + +2 HAcetate + NH3 = NH4(Acetate)2- + H+ + -llnl_gamma 4 + log_k -0.1928 + -delta_H -56.735 kJ/mol # Calculated enthalpy of reaction NH4(Acetate)2- # Enthalpy of formation: -265.2 kcal/mol - -analytic 3.7137e+001 -1.2242e-002 -8.4764e+003 -8.4308e+000 1.3883e+006 + -analytic 3.7137e+1 -1.2242e-2 -8.4764e+3 -8.4308e+0 1.3883e+6 # -Range: 0-300 -1.0000 NH3 + 1.0000 H+ = NH4+ - -llnl_gamma 2.5 - log_k +9.2410 - -delta_H -51.9234 kJ/mol # Calculated enthalpy of reaction NH4+ +NH3 + H+ = NH4+ + -llnl_gamma 2.5 + log_k 9.241 + -delta_H -51.9234 kJ/mol # Calculated enthalpy of reaction NH4+ # Enthalpy of formation: -31.85 kcal/mol - -analytic -1.4527e+001 -5.0518e-003 3.0447e+003 6.0865e+000 4.7515e+001 + -analytic -1.4527e+1 -5.0518e-3 3.0447e+3 6.0865e+0 4.7515e+1 # -Range: 0-300 -1.0000 NH3 + 1.0000 HAcetate = NH4Acetate - -llnl_gamma 3.0 - log_k +4.6964 - -delta_H -48.911 kJ/mol # Calculated enthalpy of reaction NH4Acetate +NH3 + HAcetate = NH4Acetate + -llnl_gamma 3 + log_k 4.6964 + -delta_H -48.911 kJ/mol # Calculated enthalpy of reaction NH4Acetate # Enthalpy of formation: -147.23 kcal/mol - -analytic 1.4104e+001 -4.3664e-003 -1.0746e+003 -3.6999e+000 4.1428e+005 + -analytic 1.4104e+1 -4.3664e-3 -1.0746e+3 -3.6999e+0 4.1428e+5 # -Range: 0-300 -1.0000 SO4-- + 1.0000 NH3 + 1.0000 H+ = NH4SO4- - -llnl_gamma 4.0 - log_k +0.9400 - -delta_H 0 # Not possible to calculate enthalpy of reaction NH4SO4- +SO4-2 + NH3 + H+ = NH4SO4- + -llnl_gamma 4 + log_k 0.94 + -delta_H 0 # Not possible to calculate enthalpy of reaction NH4SO4- # Enthalpy of formation: -0 kcal/mol - -1.0000 Sb(OH)3 + 1.0000 NH3 = NH4SbO2 +1.0000 H2O - -llnl_gamma 3.0 - log_k -2.5797 - -delta_H 0 # Not possible to calculate enthalpy of reaction NH4SbO2 + +Sb(OH)3 + NH3 = NH4SbO2 + H2O + -llnl_gamma 3 + log_k -2.5797 + -delta_H 0 # Not possible to calculate enthalpy of reaction NH4SbO2 # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Na+ = Na(Acetate)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -9.9989 - -delta_H -11.5771 kJ/mol # Calculated enthalpy of reaction Na(Acetate)2- + +2 HAcetate + Na+ = Na(Acetate)2- + 2 H+ + -llnl_gamma 4 + log_k -9.9989 + -delta_H -11.5771 kJ/mol # Calculated enthalpy of reaction Na(Acetate)2- # Enthalpy of formation: -292.4 kcal/mol - -analytic -2.9232e+002 -5.5708e-002 9.6601e+003 1.0772e+002 1.5082e+002 + -analytic -2.9232e+2 -5.5708e-2 9.6601e+3 1.0772e+2 1.5082e+2 # -Range: 0-300 -1.0000 O_phthalate-2 + 1.0000 Na+ = Na(O_phthalate)- - -llnl_gamma 4.0 - log_k +0.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Na(O_phthalate)- +O_phthalate-2 + Na+ = Na(O_phthalate)- + -llnl_gamma 4 + log_k 0.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction Na(O_phthalate)- # Enthalpy of formation: -0 kcal/mol - -2.0000 Na+ + 2.0000 HPO4-- = Na2P2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +0.4437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Na2P2O7-2 + +2 Na+ + 2 HPO4-2 = Na2P2O7-2 + H2O + -llnl_gamma 4 + log_k 0.4437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Na2P2O7-2 # Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Na+ + 1.0000 Al+++ = NaAlO2 +4.0000 H+ - -llnl_gamma 3.0 - log_k -23.6266 - -delta_H 190.326 kJ/mol # Calculated enthalpy of reaction NaAlO2 + +2 H2O + Na+ + Al+3 = NaAlO2 + 4 H+ + -llnl_gamma 3 + log_k -23.6266 + -delta_H 190.326 kJ/mol # Calculated enthalpy of reaction NaAlO2 # Enthalpy of formation: -277.259 kcal/mol - -analytic 1.2288e+002 3.4921e-002 -1.2808e+004 -4.6046e+001 -1.9990e+002 + -analytic 1.2288e+2 3.4921e-2 -1.2808e+4 -4.6046e+1 -1.999e+2 # -Range: 0-300 -1.0000 Na+ + 1.0000 H2O + 1.0000 B(OH)3 = NaB(OH)4 +1.0000 H+ - -llnl_gamma 3.0 - log_k -8.974 - -delta_H 0 # Not possible to calculate enthalpy of reaction NaB(OH)4 +Na+ + H2O + B(OH)3 = NaB(OH)4 + H+ + -llnl_gamma 3 + log_k -8.974 + -delta_H 0 # Not possible to calculate enthalpy of reaction NaB(OH)4 # Enthalpy of formation: -0 kcal/mol - -1.0000 Na+ + 1.0000 Br- = NaBr - -llnl_gamma 3.0 - log_k -1.3568 - -delta_H 6.87431 kJ/mol # Calculated enthalpy of reaction NaBr + +Na+ + Br- = NaBr + -llnl_gamma 3 + log_k -1.3568 + -delta_H 6.87431 kJ/mol # Calculated enthalpy of reaction NaBr # Enthalpy of formation: -84.83 kcal/mol - -analytic 1.1871e+002 3.7271e-002 -3.4061e+003 -4.8386e+001 -5.3184e+001 + -analytic 1.1871e+2 3.7271e-2 -3.4061e+3 -4.8386e+1 -5.3184e+1 # -Range: 0-300 -1.0000 Na+ + 1.0000 HAcetate = NaAcetate +1.0000 H+ - -llnl_gamma 3.0 - log_k -4.8606 - -delta_H -0.029288 kJ/mol # Calculated enthalpy of reaction NaAcetate +Na+ + HAcetate = NaAcetate + H+ + -llnl_gamma 3 + log_k -4.8606 + -delta_H -0.029288 kJ/mol # Calculated enthalpy of reaction NaAcetate # Enthalpy of formation: -173.54 kcal/mol - -analytic 6.4833e+000 -1.8739e-003 -2.0902e+003 -2.6121e+000 2.3990e+005 + -analytic 6.4833e+0 -1.8739e-3 -2.0902e+3 -2.6121e+0 2.399e+5 # -Range: 0-300 -1.0000 Na+ + 1.0000 HCO3- = NaCO3- +1.0000 H+ - -llnl_gamma 4.0 - log_k -9.8144 - -delta_H -5.6521 kJ/mol # Calculated enthalpy of reaction NaCO3- +Na+ + HCO3- = NaCO3- + H+ + -llnl_gamma 4 + log_k -9.8144 + -delta_H -5.6521 kJ/mol # Calculated enthalpy of reaction NaCO3- # Enthalpy of formation: -935.885 kJ/mol - -analytic 1.6939e+002 5.3122e-004 -7.6768e+003 -6.2078e+001 -1.1984e+002 + -analytic 1.6939e+2 5.3122e-4 -7.6768e+3 -6.2078e+1 -1.1984e+2 # -Range: 0-300 -1.0000 Na+ + 1.0000 Cl- = NaCl - -llnl_gamma 3.0 - log_k -0.777 - -delta_H 5.21326 kJ/mol # Calculated enthalpy of reaction NaCl +Na+ + Cl- = NaCl + -llnl_gamma 3 + log_k -0.777 + -delta_H 5.21326 kJ/mol # Calculated enthalpy of reaction NaCl # Enthalpy of formation: -96.12 kcal/mol - -analytic 1.1398e+002 3.6386e-002 -3.0847e+003 -4.6571e+001 -4.8167e+001 + -analytic 1.1398e+2 3.6386e-2 -3.0847e+3 -4.6571e+1 -4.8167e+1 # -Range: 0-300 -1.0000 Na+ + 1.0000 F- = NaF - -llnl_gamma 3.0 - log_k -0.9976 - -delta_H 7.20903 kJ/mol # Calculated enthalpy of reaction NaF +Na+ + F- = NaF + -llnl_gamma 3 + log_k -0.9976 + -delta_H 7.20903 kJ/mol # Calculated enthalpy of reaction NaF # Enthalpy of formation: -135.86 kcal/mol - -analytic 1.2507e+002 3.8619e-002 -3.5436e+003 -5.0787e+001 -5.5332e+001 + -analytic 1.2507e+2 3.8619e-2 -3.5436e+3 -5.0787e+1 -5.5332e+1 # -Range: 0-300 -1.0000 Na+ + 1.0000 HCO3- = NaHCO3 - -llnl_gamma 3.0 - log_k +0.1541 - -delta_H -13.7741 kJ/mol # Calculated enthalpy of reaction NaHCO3 +Na+ + HCO3- = NaHCO3 + -llnl_gamma 3 + log_k 0.1541 + -delta_H -13.7741 kJ/mol # Calculated enthalpy of reaction NaHCO3 # Enthalpy of formation: -944.007 kJ/mol - -analytic -9.0668e+001 -2.9866e-002 2.7947e+003 3.6515e+001 4.7489e+001 + -analytic -9.0668e+1 -2.9866e-2 2.7947e+3 3.6515e+1 4.7489e+1 # -Range: 0-200 -2.0000 HPO4-- + 1.0000 Na+ + 1.0000 H+ = NaHP2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +6.8498 - -delta_H 0 # Not possible to calculate enthalpy of reaction NaHP2O7-2 +2 HPO4-2 + Na+ + H+ = NaHP2O7-2 + H2O + -llnl_gamma 4 + log_k 6.8498 + -delta_H 0 # Not possible to calculate enthalpy of reaction NaHP2O7-2 # Enthalpy of formation: -0 kcal/mol - -1.0000 Na+ + 1.0000 HPO4-- = NaHPO4- - -llnl_gamma 4.0 - log_k +0.9200 - -delta_H 0 # Not possible to calculate enthalpy of reaction NaHPO4- + +Na+ + HPO4-2 = NaHPO4- + -llnl_gamma 4 + log_k 0.92 + -delta_H 0 # Not possible to calculate enthalpy of reaction NaHPO4- # Enthalpy of formation: -0 kcal/mol - -1.0000 SiO2 + 1.0000 Na+ + 1.0000 H2O = NaHSiO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -8.304 - -delta_H 11.6524 kJ/mol # Calculated enthalpy of reaction NaHSiO3 + +SiO2 + Na+ + H2O = NaHSiO3 + H+ + -llnl_gamma 3 + log_k -8.304 + -delta_H 11.6524 kJ/mol # Calculated enthalpy of reaction NaHSiO3 # Enthalpy of formation: -332.74 kcal/mol - -analytic 3.6045e+001 -9.0411e-003 -6.6605e+003 -1.0447e+001 5.8415e+005 + -analytic 3.6045e+1 -9.0411e-3 -6.6605e+3 -1.0447e+1 5.8415e+5 # -Range: 0-300 -1.0000 Na+ + 1.0000 I- = NaI - -llnl_gamma 3.0 - log_k -1.54 - -delta_H 7.33455 kJ/mol # Calculated enthalpy of reaction NaI +Na+ + I- = NaI + -llnl_gamma 3 + log_k -1.54 + -delta_H 7.33455 kJ/mol # Calculated enthalpy of reaction NaI # Enthalpy of formation: -69.28 kcal/mol - -analytic 9.8742e+001 3.2917e-002 -2.7576e+003 -4.0748e+001 -4.3058e+001 + -analytic 9.8742e+1 3.2917e-2 -2.7576e+3 -4.0748e+1 -4.3058e+1 # -Range: 0-300 -1.0000 Na+ + 1.0000 H2O = NaOH +1.0000 H+ - -llnl_gamma 3.0 - log_k -14.7948 - -delta_H 53.6514 kJ/mol # Calculated enthalpy of reaction NaOH +Na+ + H2O = NaOH + H+ + -llnl_gamma 3 + log_k -14.7948 + -delta_H 53.6514 kJ/mol # Calculated enthalpy of reaction NaOH # Enthalpy of formation: -112.927 kcal/mol - -analytic 8.7326e+001 2.3555e-002 -5.4770e+003 -3.6678e+001 -8.5489e+001 + -analytic 8.7326e+1 2.3555e-2 -5.477e+3 -3.6678e+1 -8.5489e+1 # -Range: 0-300 -2.0000 HPO4-- + 1.0000 Na+ = NaP2O7--- +1.0000 H2O - -llnl_gamma 4.0 - log_k -1.4563 - -delta_H 0 # Not possible to calculate enthalpy of reaction NaP2O7-3 +2 HPO4-2 + Na+ = NaP2O7-3 + H2O + -llnl_gamma 4 + log_k -1.4563 + -delta_H 0 # Not possible to calculate enthalpy of reaction NaP2O7-3 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Na+ = NaSO4- - -llnl_gamma 4.0 - log_k +0.8200 - -delta_H 0 # Not possible to calculate enthalpy of reaction NaSO4- + +SO4-2 + Na+ = NaSO4- + -llnl_gamma 4 + log_k 0.82 + -delta_H 0 # Not possible to calculate enthalpy of reaction NaSO4- # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Nd+++ = Nd(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.9771 - -delta_H -22.6354 kJ/mol # Calculated enthalpy of reaction Nd(Acetate)2+ + +2 HAcetate + Nd+3 = Nd(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.9771 + -delta_H -22.6354 kJ/mol # Calculated enthalpy of reaction Nd(Acetate)2+ # Enthalpy of formation: -404.11 kcal/mol - -analytic -2.2128e+001 1.0975e-003 -7.1543e+002 5.8799e+000 4.1748e+005 + -analytic -2.2128e+1 1.0975e-3 -7.1543e+2 5.8799e+0 4.1748e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Nd+++ = Nd(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.2976 - -delta_H -38.8694 kJ/mol # Calculated enthalpy of reaction Nd(Acetate)3 +3 HAcetate + Nd+3 = Nd(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.2976 + -delta_H -38.8694 kJ/mol # Calculated enthalpy of reaction Nd(Acetate)3 # Enthalpy of formation: -524.09 kcal/mol - -analytic -4.5726e+001 -2.6143e-003 5.9389e+002 1.2679e+001 4.3320e+005 + -analytic -4.5726e+1 -2.6143e-3 5.9389e+2 1.2679e+1 4.332e+5 # -Range: 0-300 -2.0000 HCO3- + 1.0000 Nd+++ = Nd(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -8.0576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(CO3)2- +2 HCO3- + Nd+3 = Nd(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -8.0576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(CO3)2- # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Nd+++ = Nd(HPO4)2- - -llnl_gamma 4.0 - log_k +9.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(HPO4)2- + +2 HPO4-2 + Nd+3 = Nd(HPO4)2- + -llnl_gamma 4 + log_k 9.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(HPO4)2- # Enthalpy of formation: -0 kcal/mol - + # Redundant with NdO2- #4.0000 H2O + 1.0000 Nd+++ = Nd(OH)4- +4.0000 H+ -# -llnl_gamma 4.0 +# -llnl_gamma 4.0 # log_k -37.0803 # -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)4- ## Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Nd+++ = Nd(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -5.1437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Nd+++ = Nd(SO4)2- - -llnl_gamma 4.0 - log_k -255.7478 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 Nd+++ + 2.0000 H2O = Nd2(OH)2++++ +2.0000 H+ - -llnl_gamma 5.5 - log_k -13.8902 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd2(OH)2+4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Nd+++ + 1.0000 HAcetate = NdAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.0891 - -delta_H -12.0081 kJ/mol # Calculated enthalpy of reaction NdAcetate+2 + +2 HPO4-2 + Nd+3 = Nd(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -5.1437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Nd+3 = Nd(SO4)2- + -llnl_gamma 4 + log_k -255.7478 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 Nd+3 + 2 H2O = Nd2(OH)2+4 + 2 H+ + -llnl_gamma 5.5 + log_k -13.8902 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd2(OH)2+4 +# Enthalpy of formation: -0 kcal/mol + +Nd+3 + HAcetate = NdAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.0891 + -delta_H -12.0081 kJ/mol # Calculated enthalpy of reaction NdAcetate+2 # Enthalpy of formation: -285.47 kcal/mol - -analytic -1.6006e+001 4.1948e-004 -3.6469e+002 4.9280e+000 2.5187e+005 + -analytic -1.6006e+1 4.1948e-4 -3.6469e+2 4.928e+0 2.5187e+5 # -Range: 0-300 -1.0000 Nd+++ + 1.0000 HCO3- = NdCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.6256 - -delta_H 91.6212 kJ/mol # Calculated enthalpy of reaction NdCO3+ +Nd+3 + HCO3- = NdCO3+ + H+ + -llnl_gamma 4 + log_k -2.6256 + -delta_H 91.6212 kJ/mol # Calculated enthalpy of reaction NdCO3+ # Enthalpy of formation: -309.5 kcal/mol - -analytic 2.3399e+002 5.3454e-002 -7.0513e+003 -9.2500e+001 -1.1010e+002 + -analytic 2.3399e+2 5.3454e-2 -7.0513e+3 -9.25e+1 -1.101e+2 # -Range: 0-300 -1.0000 Nd+++ + 1.0000 Cl- = NdCl++ - -llnl_gamma 4.5 - log_k +0.3086 - -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction NdCl+2 +Nd+3 + Cl- = NdCl+2 + -llnl_gamma 4.5 + log_k 0.3086 + -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction NdCl+2 # Enthalpy of formation: -203 kcal/mol - -analytic 9.4587e+001 3.9331e-002 -2.4200e+003 -3.9550e+001 -3.7790e+001 + -analytic 9.4587e+1 3.9331e-2 -2.42e+3 -3.955e+1 -3.779e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Nd+++ = NdCl2+ - -llnl_gamma 4.0 - log_k +0.0308 - -delta_H 20.3593 kJ/mol # Calculated enthalpy of reaction NdCl2+ +2 Cl- + Nd+3 = NdCl2+ + -llnl_gamma 4 + log_k 0.0308 + -delta_H 20.3593 kJ/mol # Calculated enthalpy of reaction NdCl2+ # Enthalpy of formation: -241.5 kcal/mol - -analytic 2.5840e+002 8.4118e-002 -7.2056e+003 -1.0477e+002 -1.1251e+002 + -analytic 2.584e+2 8.4118e-2 -7.2056e+3 -1.0477e+2 -1.1251e+2 # -Range: 0-300 -3.0000 Cl- + 1.0000 Nd+++ = NdCl3 - -llnl_gamma 3.0 - log_k -0.3203 - -delta_H 15.0582 kJ/mol # Calculated enthalpy of reaction NdCl3 +3 Cl- + Nd+3 = NdCl3 + -llnl_gamma 3 + log_k -0.3203 + -delta_H 15.0582 kJ/mol # Calculated enthalpy of reaction NdCl3 # Enthalpy of formation: -282.7 kcal/mol - -analytic 4.9362e+002 1.3485e-001 -1.4309e+004 -1.9645e+002 -2.2343e+002 + -analytic 4.9362e+2 1.3485e-1 -1.4309e+4 -1.9645e+2 -2.2343e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Nd+++ = NdCl4- - -llnl_gamma 4.0 - log_k -0.7447 - -delta_H -3.21331 kJ/mol # Calculated enthalpy of reaction NdCl4- +4 Cl- + Nd+3 = NdCl4- + -llnl_gamma 4 + log_k -0.7447 + -delta_H -3.21331 kJ/mol # Calculated enthalpy of reaction NdCl4- # Enthalpy of formation: -327 kcal/mol - -analytic 6.0548e+002 1.4227e-001 -1.8055e+004 -2.3765e+002 -2.8191e+002 + -analytic 6.0548e+2 1.4227e-1 -1.8055e+4 -2.3765e+2 -2.8191e+2 # -Range: 0-300 -1.0000 Nd+++ + 1.0000 F- = NdF++ - -llnl_gamma 4.5 - log_k +4.3687 - -delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction NdF+2 +Nd+3 + F- = NdF+2 + -llnl_gamma 4.5 + log_k 4.3687 + -delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction NdF+2 # Enthalpy of formation: -241.2 kcal/mol - -analytic 1.1461e+002 4.3014e-002 -3.2461e+003 -4.5326e+001 -5.0687e+001 + -analytic 1.1461e+2 4.3014e-2 -3.2461e+3 -4.5326e+1 -5.0687e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Nd+++ = NdF2+ - -llnl_gamma 4.0 - log_k +7.5646 - -delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction NdF2+ +2 F- + Nd+3 = NdF2+ + -llnl_gamma 4 + log_k 7.5646 + -delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction NdF2+ # Enthalpy of formation: -323.5 kcal/mol - -analytic 2.7901e+002 8.7910e-002 -7.2424e+003 -1.1046e+002 -1.1309e+002 + -analytic 2.7901e+2 8.791e-2 -7.2424e+3 -1.1046e+2 -1.1309e+2 # -Range: 0-300 -3.0000 F- + 1.0000 Nd+++ = NdF3 - -llnl_gamma 3.0 - log_k +9.8809 - -delta_H -8.1588 kJ/mol # Calculated enthalpy of reaction NdF3 +3 F- + Nd+3 = NdF3 + -llnl_gamma 3 + log_k 9.8809 + -delta_H -8.1588 kJ/mol # Calculated enthalpy of reaction NdF3 # Enthalpy of formation: -408.9 kcal/mol - -analytic 5.2220e+002 1.4154e-001 -1.3697e+004 -2.0551e+002 -2.1388e+002 + -analytic 5.222e+2 1.4154e-1 -1.3697e+4 -2.0551e+2 -2.1388e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Nd+++ = NdF4- - -llnl_gamma 4.0 - log_k +11.8307 - -delta_H -48.5344 kJ/mol # Calculated enthalpy of reaction NdF4- +4 F- + Nd+3 = NdF4- + -llnl_gamma 4 + log_k 11.8307 + -delta_H -48.5344 kJ/mol # Calculated enthalpy of reaction NdF4- # Enthalpy of formation: -498.7 kcal/mol - -analytic 6.1972e+002 1.4620e-001 -1.5869e+004 -2.4175e+002 -2.4780e+002 + -analytic 6.1972e+2 1.462e-1 -1.5869e+4 -2.4175e+2 -2.478e+2 # -Range: 0-300 -1.0000 Nd+++ + 1.0000 HPO4-- + 1.0000 H+ = NdH2PO4++ - -llnl_gamma 4.5 - log_k +9.5152 - -delta_H -15.736 kJ/mol # Calculated enthalpy of reaction NdH2PO4+2 +Nd+3 + HPO4-2 + H+ = NdH2PO4+2 + -llnl_gamma 4.5 + log_k 9.5152 + -delta_H -15.736 kJ/mol # Calculated enthalpy of reaction NdH2PO4+2 # Enthalpy of formation: -479.076 kcal/mol - -analytic 1.2450e+002 6.4953e-002 -4.0524e+002 -5.3728e+001 -6.3603e+000 + -analytic 1.245e+2 6.4953e-2 -4.0524e+2 -5.3728e+1 -6.3603e+0 # -Range: 0-300 -1.0000 Nd+++ + 1.0000 HCO3- = NdHCO3++ - -llnl_gamma 4.5 - log_k +1.8457 - -delta_H 9.19643 kJ/mol # Calculated enthalpy of reaction NdHCO3+2 +Nd+3 + HCO3- = NdHCO3+2 + -llnl_gamma 4.5 + log_k 1.8457 + -delta_H 9.19643 kJ/mol # Calculated enthalpy of reaction NdHCO3+2 # Enthalpy of formation: -329.2 kcal/mol - -analytic 5.5530e+001 3.3254e-002 -7.3859e+002 -2.4690e+001 -1.1542e+001 + -analytic 5.553e+1 3.3254e-2 -7.3859e+2 -2.469e+1 -1.1542e+1 # -Range: 0-300 -1.0000 Nd+++ + 1.0000 HPO4-- = NdHPO4+ - -llnl_gamma 4.0 - log_k +5.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction NdHPO4+ +Nd+3 + HPO4-2 = NdHPO4+ + -llnl_gamma 4 + log_k 5.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction NdHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Nd+++ + 1.0000 NO3- = NdNO3++ - -llnl_gamma 4.5 - log_k +0.7902 - -delta_H -27.8529 kJ/mol # Calculated enthalpy of reaction NdNO3+2 + +Nd+3 + NO3- = NdNO3+2 + -llnl_gamma 4.5 + log_k 0.7902 + -delta_H -27.8529 kJ/mol # Calculated enthalpy of reaction NdNO3+2 # Enthalpy of formation: -222.586 kcal/mol - -analytic 3.3850e+001 2.7112e-002 1.4404e+003 -1.8570e+001 2.2466e+001 + -analytic 3.385e+1 2.7112e-2 1.4404e+3 -1.857e+1 2.2466e+1 # -Range: 0-300 -1.0000 Nd+++ + 1.0000 H2O = NdO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -17.0701 - -delta_H 116.386 kJ/mol # Calculated enthalpy of reaction NdO+ +Nd+3 + H2O = NdO+ + 2 H+ + -llnl_gamma 4 + log_k -17.0701 + -delta_H 116.386 kJ/mol # Calculated enthalpy of reaction NdO+ # Enthalpy of formation: -207 kcal/mol - -analytic 1.8961e+002 3.0563e-002 -1.4153e+004 -6.8024e+001 -2.2089e+002 + -analytic 1.8961e+2 3.0563e-2 -1.4153e+4 -6.8024e+1 -2.2089e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Nd+++ = NdO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -37.0721 - -delta_H 298.88 kJ/mol # Calculated enthalpy of reaction NdO2- +2 H2O + Nd+3 = NdO2- + 4 H+ + -llnl_gamma 4 + log_k -37.0721 + -delta_H 298.88 kJ/mol # Calculated enthalpy of reaction NdO2- # Enthalpy of formation: -231.7 kcal/mol - -analytic 1.9606e+002 1.4784e-002 -2.1838e+004 -6.6399e+001 -3.4082e+002 + -analytic 1.9606e+2 1.4784e-2 -2.1838e+4 -6.6399e+1 -3.4082e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Nd+++ = NdO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -26.3702 - -delta_H 230.681 kJ/mol # Calculated enthalpy of reaction NdO2H +2 H2O + Nd+3 = NdO2H + 3 H+ + -llnl_gamma 3 + log_k -26.3702 + -delta_H 230.681 kJ/mol # Calculated enthalpy of reaction NdO2H # Enthalpy of formation: -248 kcal/mol - -analytic 3.4617e+002 4.5955e-002 -2.3960e+004 -1.2361e+002 -3.7398e+002 + -analytic 3.4617e+2 4.5955e-2 -2.396e+4 -1.2361e+2 -3.7398e+2 # -Range: 0-300 -1.0000 Nd+++ + 1.0000 H2O = NdOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -8.1274 - -delta_H 80.8223 kJ/mol # Calculated enthalpy of reaction NdOH+2 +Nd+3 + H2O = NdOH+2 + H+ + -llnl_gamma 4.5 + log_k -8.1274 + -delta_H 80.8223 kJ/mol # Calculated enthalpy of reaction NdOH+2 # Enthalpy of formation: -215.5 kcal/mol - -analytic 6.6963e+001 1.2182e-002 -6.2797e+003 -2.3300e+001 -9.8008e+001 + -analytic 6.6963e+1 1.2182e-2 -6.2797e+3 -2.33e+1 -9.8008e+1 # -Range: 0-300 -1.0000 Nd+++ + 1.0000 HPO4-- = NdPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k -0.5218 - -delta_H 0 # Not possible to calculate enthalpy of reaction NdPO4 +Nd+3 + HPO4-2 = NdPO4 + H+ + -llnl_gamma 3 + log_k -0.5218 + -delta_H 0 # Not possible to calculate enthalpy of reaction NdPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Nd+++ = NdSO4+ - -llnl_gamma 4.0 - log_k +3.6430 - -delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction NdSO4+ + +SO4-2 + Nd+3 = NdSO4+ + -llnl_gamma 4 + log_k 3.643 + -delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction NdSO4+ # Enthalpy of formation: -379.1 kcal/mol - -analytic 3.0267e+002 8.5362e-002 -8.9211e+003 -1.1902e+002 -1.3929e+002 + -analytic 3.0267e+2 8.5362e-2 -8.9211e+3 -1.1902e+2 -1.3929e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Ni++ = Ni(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -7.1908 - -delta_H -25.8571 kJ/mol # Calculated enthalpy of reaction Ni(Acetate)2 +2 HAcetate + Ni+2 = Ni(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -7.1908 + -delta_H -25.8571 kJ/mol # Calculated enthalpy of reaction Ni(Acetate)2 # Enthalpy of formation: -251.28 kcal/mol - -analytic -2.9660e+001 1.0643e-003 -1.0060e+003 7.9358e+000 5.2562e+005 + -analytic -2.966e+1 1.0643e-3 -1.006e+3 7.9358e+0 5.2562e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Ni++ = Ni(Acetate)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -11.3543 - -delta_H -53.6807 kJ/mol # Calculated enthalpy of reaction Ni(Acetate)3- +3 HAcetate + Ni+2 = Ni(Acetate)3- + 3 H+ + -llnl_gamma 4 + log_k -11.3543 + -delta_H -53.6807 kJ/mol # Calculated enthalpy of reaction Ni(Acetate)3- # Enthalpy of formation: -374.03 kcal/mol - -analytic 5.0850e+001 -8.2435e-003 -1.3049e+004 -1.5410e+001 1.9704e+006 + -analytic 5.085e+1 -8.2435e-3 -1.3049e+4 -1.541e+1 1.9704e+6 # -Range: 0-300 -2.0000 NH3 + 1.0000 Ni++ = Ni(NH3)2++ - -llnl_gamma 4.5 - log_k +5.0598 - -delta_H -29.7505 kJ/mol # Calculated enthalpy of reaction Ni(NH3)2+2 +2 NH3 + Ni+2 = Ni(NH3)2+2 + -llnl_gamma 4.5 + log_k 5.0598 + -delta_H -29.7505 kJ/mol # Calculated enthalpy of reaction Ni(NH3)2+2 # Enthalpy of formation: -246.398 kJ/mol - -analytic 1.0002e+002 5.2896e-003 -2.5967e+003 -3.5485e+001 -4.0548e+001 + -analytic 1.0002e+2 5.2896e-3 -2.5967e+3 -3.5485e+1 -4.0548e+1 # -Range: 0-300 -6.0000 NH3 + 1.0000 Ni++ = Ni(NH3)6++ - -llnl_gamma 4.5 - log_k +8.7344 - -delta_H -88.0436 kJ/mol # Calculated enthalpy of reaction Ni(NH3)6+2 +6 NH3 + Ni+2 = Ni(NH3)6+2 + -llnl_gamma 4.5 + log_k 8.7344 + -delta_H -88.0436 kJ/mol # Calculated enthalpy of reaction Ni(NH3)6+2 # Enthalpy of formation: -630.039 kJ/mol - -analytic 1.9406e+002 -1.3467e-002 -5.2321e+003 -6.6168e+001 -8.1699e+001 + -analytic 1.9406e+2 -1.3467e-2 -5.2321e+3 -6.6168e+1 -8.1699e+1 # -Range: 0-300 -2.0000 NO3- + 1.0000 Ni++ = Ni(NO3)2 - -llnl_gamma 3.0 - log_k +0.1899 - -delta_H -1.54153 kJ/mol # Calculated enthalpy of reaction Ni(NO3)2 +2 NO3- + Ni+2 = Ni(NO3)2 + -llnl_gamma 3 + log_k 0.1899 + -delta_H -1.54153 kJ/mol # Calculated enthalpy of reaction Ni(NO3)2 # Enthalpy of formation: -469.137 kJ/mol - -analytic -4.2544e+001 -1.0101e-002 1.3496e+003 1.6663e+001 2.2933e+001 -# -Range: 0-200 - -2.0000 H2O + 1.0000 Ni++ = Ni(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -19.9902 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ni(OH)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Ni++ = Ni(OH)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -30.9852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ni(OH)3- -# Enthalpy of formation: -0 kcal/mol - -2.0000 Ni++ + 1.0000 H2O = Ni2OH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -10.7 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ni2OH+3 -# Enthalpy of formation: -0 kcal/mol - -4.0000 Ni++ + 4.0000 H2O = Ni4(OH)4++++ +4.0000 H+ - -llnl_gamma 5.5 - log_k -27.6803 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ni4(OH)4+4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Ni++ + 1.0000 Br- = NiBr+ - -llnl_gamma 4.0 - log_k -0.37 - -delta_H 0 # Not possible to calculate enthalpy of reaction NiBr+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Ni++ + 1.0000 HAcetate = NiAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.3278 - -delta_H -10.2508 kJ/mol # Calculated enthalpy of reaction NiAcetate+ + -analytic -4.2544e+1 -1.0101e-2 1.3496e+3 1.6663e+1 2.2933e+1 +# -Range: 0-200 + +2 H2O + Ni+2 = Ni(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -19.9902 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ni(OH)2 +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Ni+2 = Ni(OH)3- + 3 H+ + -llnl_gamma 4 + log_k -30.9852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ni(OH)3- +# Enthalpy of formation: -0 kcal/mol + +2 Ni+2 + H2O = Ni2OH+3 + H+ + -llnl_gamma 5 + log_k -10.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ni2OH+3 +# Enthalpy of formation: -0 kcal/mol + +4 Ni+2 + 4 H2O = Ni4(OH)4+4 + 4 H+ + -llnl_gamma 5.5 + log_k -27.6803 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ni4(OH)4+4 +# Enthalpy of formation: -0 kcal/mol + +Ni+2 + Br- = NiBr+ + -llnl_gamma 4 + log_k -0.37 + -delta_H 0 # Not possible to calculate enthalpy of reaction NiBr+ +# Enthalpy of formation: -0 kcal/mol + +Ni+2 + HAcetate = NiAcetate+ + H+ + -llnl_gamma 4 + log_k -3.3278 + -delta_H -10.2508 kJ/mol # Calculated enthalpy of reaction NiAcetate+ # Enthalpy of formation: -131.45 kcal/mol - -analytic -3.3110e+000 1.6895e-003 -1.0556e+003 2.7168e-002 2.6350e+005 + -analytic -3.311e+0 1.6895e-3 -1.0556e+3 2.7168e-2 2.635e+5 # -Range: 0-300 -1.0000 Ni++ + 1.0000 Cl- = NiCl+ - -llnl_gamma 4.0 - log_k -0.9962 - -delta_H 5.99567 kJ/mol # Calculated enthalpy of reaction NiCl+ +Ni+2 + Cl- = NiCl+ + -llnl_gamma 4 + log_k -0.9962 + -delta_H 5.99567 kJ/mol # Calculated enthalpy of reaction NiCl+ # Enthalpy of formation: -51.4 kcal/mol - -analytic 9.5370e+001 3.8521e-002 -2.1746e+003 -4.0629e+001 -3.3961e+001 + -analytic 9.537e+1 3.8521e-2 -2.1746e+3 -4.0629e+1 -3.3961e+1 # -Range: 0-300 -2.0000 HPO4-- + 1.0000 Ni++ + 1.0000 H+ = NiHP2O7- +1.0000 H2O - -llnl_gamma 4.0 - log_k +9.2680 - -delta_H 0 # Not possible to calculate enthalpy of reaction NiHP2O7- +2 HPO4-2 + Ni+2 + H+ = NiHP2O7- + H2O + -llnl_gamma 4 + log_k 9.268 + -delta_H 0 # Not possible to calculate enthalpy of reaction NiHP2O7- # Enthalpy of formation: -0 kcal/mol - -1.0000 Ni++ + 1.0000 NO3- = NiNO3+ - -llnl_gamma 4.0 - log_k +0.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction NiNO3+ + +Ni+2 + NO3- = NiNO3+ + -llnl_gamma 4 + log_k 0.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction NiNO3+ # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Ni++ = NiP2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +3.1012 - -delta_H 9.68819 kJ/mol # Calculated enthalpy of reaction NiP2O7-2 + +2 HPO4-2 + Ni+2 = NiP2O7-2 + H2O + -llnl_gamma 4 + log_k 3.1012 + -delta_H 9.68819 kJ/mol # Calculated enthalpy of reaction NiP2O7-2 # Enthalpy of formation: -2342.61 kJ/mol - -analytic 4.6809e+002 1.0985e-001 -1.4310e+004 -1.8173e+002 -2.2344e+002 + -analytic 4.6809e+2 1.0985e-1 -1.431e+4 -1.8173e+2 -2.2344e+2 # -Range: 0-300 -1.0000 SO4-- + 1.0000 Ni++ = NiSO4 - -llnl_gamma 3.0 - log_k +2.1257 - -delta_H 2.36814 kJ/mol # Calculated enthalpy of reaction NiSO4 +SO4-2 + Ni+2 = NiSO4 + -llnl_gamma 3 + log_k 2.1257 + -delta_H 2.36814 kJ/mol # Calculated enthalpy of reaction NiSO4 # Enthalpy of formation: -229.734 kcal/mol - -analytic 6.1187e+001 2.4211e-002 -1.2180e+003 -2.5130e+001 -2.0705e+001 + -analytic 6.1187e+1 2.4211e-2 -1.218e+3 -2.513e+1 -2.0705e+1 # -Range: 0-200 -1.0000 SeO4-- + 1.0000 Ni++ = NiSeO4 - -llnl_gamma 3.0 - log_k +2.6700 - -delta_H 0 # Not possible to calculate enthalpy of reaction NiSeO4 +SeO4-2 + Ni+2 = NiSeO4 + -llnl_gamma 3 + log_k 2.67 + -delta_H 0 # Not possible to calculate enthalpy of reaction NiSeO4 # Enthalpy of formation: -0 kcal/mol - -5.0000 HCO3- + 1.0000 Np++++ = Np(CO3)5-6 +5.0000 H+ - -llnl_gamma 4.0 - log_k -13.344 - -delta_H 92.7067 kJ/mol # Calculated enthalpy of reaction Np(CO3)5-6 + +5 HCO3- + Np+4 = Np(CO3)5-6 + 5 H+ + -llnl_gamma 4 + log_k -13.344 + -delta_H 92.7067 kJ/mol # Calculated enthalpy of reaction Np(CO3)5-6 # Enthalpy of formation: -935.22 kcal/mol - -analytic 6.3005e+002 2.3388e-001 -1.8328e+004 -2.6334e+002 -2.8618e+002 + -analytic 6.3005e+2 2.3388e-1 -1.8328e+4 -2.6334e+2 -2.8618e+2 # -Range: 0-300 -2.0000 HPO4-- + 2.0000 H+ + 1.0000 Np+++ = Np(H2PO4)2+ - -llnl_gamma 4.0 - log_k +3.7000 - -delta_H -1.55258 kJ/mol # Calculated enthalpy of reaction Np(H2PO4)2+ +2 HPO4-2 + 2 H+ + Np+3 = Np(H2PO4)2+ + -llnl_gamma 4 + log_k 3.7 + -delta_H -1.55258 kJ/mol # Calculated enthalpy of reaction Np(H2PO4)2+ # Enthalpy of formation: -743.981 kcal/mol - -analytic 7.8161e+002 2.8446e-001 -1.2330e+004 -3.3194e+002 -2.1056e+002 + -analytic 7.8161e+2 2.8446e-1 -1.233e+4 -3.3194e+2 -2.1056e+2 # -Range: 25-150 -3.0000 HPO4-- + 3.0000 H+ + 1.0000 Np+++ = Np(H2PO4)3 - -llnl_gamma 3.0 - log_k +5.6000 - -delta_H -21.8575 kJ/mol # Calculated enthalpy of reaction Np(H2PO4)3 +3 HPO4-2 + 3 H+ + Np+3 = Np(H2PO4)3 + -llnl_gamma 3 + log_k 5.6 + -delta_H -21.8575 kJ/mol # Calculated enthalpy of reaction Np(H2PO4)3 # Enthalpy of formation: -1057.65 kcal/mol - -analytic 1.5150e+003 4.4939e-001 -3.2766e+004 -6.1975e+002 -5.5934e+002 + -analytic 1.515e+3 4.4939e-1 -3.2766e+4 -6.1975e+2 -5.5934e+2 # -Range: 25-150 -2.0000 HPO4-- + 1.0000 Np++++ = Np(HPO4)2 - -llnl_gamma 3.0 - log_k +23.7000 - -delta_H -35.24 kJ/mol # Calculated enthalpy of reaction Np(HPO4)2 +2 HPO4-2 + Np+4 = Np(HPO4)2 + -llnl_gamma 3 + log_k 23.7 + -delta_H -35.24 kJ/mol # Calculated enthalpy of reaction Np(HPO4)2 # Enthalpy of formation: -758.94 kcal/mol - -analytic 4.7722e+002 2.1099e-001 -4.7296e+003 -2.0229e+002 -8.0831e+001 + -analytic 4.7722e+2 2.1099e-1 -4.7296e+3 -2.0229e+2 -8.0831e+1 # -Range: 25-150 -3.0000 HPO4-- + 1.0000 Np++++ = Np(HPO4)3-- - -llnl_gamma 4.0 - log_k +33.4000 - -delta_H -44.9093 kJ/mol # Calculated enthalpy of reaction Np(HPO4)3-2 +3 HPO4-2 + Np+4 = Np(HPO4)3-2 + -llnl_gamma 4 + log_k 33.4 + -delta_H -44.9093 kJ/mol # Calculated enthalpy of reaction Np(HPO4)3-2 # Enthalpy of formation: -1070.07 kcal/mol - -analytic -1.5951e+003 -3.6579e-001 5.1343e+004 6.3262e+002 8.7619e+002 + -analytic -1.5951e+3 -3.6579e-1 5.1343e+4 6.3262e+2 8.7619e+2 # -Range: 25-150 -4.0000 HPO4-- + 1.0000 Np++++ = Np(HPO4)4---- - -llnl_gamma 4.0 - log_k +43.2000 - -delta_H -67.0803 kJ/mol # Calculated enthalpy of reaction Np(HPO4)4-4 +4 HPO4-2 + Np+4 = Np(HPO4)4-4 + -llnl_gamma 4 + log_k 43.2 + -delta_H -67.0803 kJ/mol # Calculated enthalpy of reaction Np(HPO4)4-4 # Enthalpy of formation: -1384.18 kcal/mol - -analytic 5.8359e+003 1.5194e+000 -1.6349e+005 -2.3025e+003 -2.7903e+003 + -analytic 5.8359e+3 1.5194e+0 -1.6349e+5 -2.3025e+3 -2.7903e+3 # -Range: 25-150 -5.0000 HPO4-- + 1.0000 Np++++ = Np(HPO4)5-6 - -llnl_gamma 4.0 - log_k +52.0000 - -delta_H -83.5401 kJ/mol # Calculated enthalpy of reaction Np(HPO4)5-6 +5 HPO4-2 + Np+4 = Np(HPO4)5-6 + -llnl_gamma 4 + log_k 52 + -delta_H -83.5401 kJ/mol # Calculated enthalpy of reaction Np(HPO4)5-6 # Enthalpy of formation: -1696.93 kcal/mol - -analytic -1.8082e+003 -2.0018e-001 7.5155e+004 6.7400e+002 1.2824e+003 + -analytic -1.8082e+3 -2.0018e-1 7.5155e+4 6.74e+2 1.2824e+3 # -Range: 25-150 -2.0000 H2O + 1.0000 Np++++ = Np(OH)2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k -2.8 - -delta_H 77.0669 kJ/mol # Calculated enthalpy of reaction Np(OH)2+2 +2 H2O + Np+4 = Np(OH)2+2 + 2 H+ + -llnl_gamma 4.5 + log_k -2.8 + -delta_H 77.0669 kJ/mol # Calculated enthalpy of reaction Np(OH)2+2 # Enthalpy of formation: -251.102 kcal/mol - -analytic 2.9299e+003 6.5812e-001 -9.5085e+004 -1.1356e+003 -1.6227e+003 + -analytic 2.9299e+3 6.5812e-1 -9.5085e+4 -1.1356e+3 -1.6227e+3 # -Range: 25-150 -3.0000 H2O + 1.0000 Np++++ = Np(OH)3+ +3.0000 H+ - -llnl_gamma 4.0 - log_k -5.8 - -delta_H 99.5392 kJ/mol # Calculated enthalpy of reaction Np(OH)3+ +3 H2O + Np+4 = Np(OH)3+ + 3 H+ + -llnl_gamma 4 + log_k -5.8 + -delta_H 99.5392 kJ/mol # Calculated enthalpy of reaction Np(OH)3+ # Enthalpy of formation: -314.048 kcal/mol - -analytic -4.7723e+003 -1.1810e+000 1.3545e+005 1.8850e+003 2.3117e+003 + -analytic -4.7723e+3 -1.181e+0 1.3545e+5 1.885e+3 2.3117e+3 # -Range: 25-150 -4.0000 H2O + 1.0000 Np++++ = Np(OH)4 +4.0000 H+ - -llnl_gamma 3.0 - log_k -9.6 - -delta_H 109.585 kJ/mol # Calculated enthalpy of reaction Np(OH)4 +4 H2O + Np+4 = Np(OH)4 + 4 H+ + -llnl_gamma 3 + log_k -9.6 + -delta_H 109.585 kJ/mol # Calculated enthalpy of reaction Np(OH)4 # Enthalpy of formation: -379.964 kcal/mol - -analytic -5.5904e+003 -1.3639e+000 1.6112e+005 2.2013e+003 2.7498e+003 + -analytic -5.5904e+3 -1.3639e+0 1.6112e+5 2.2013e+3 2.7498e+3 # -Range: 25-150 -2.0000 SO4-- + 1.0000 Np++++ = Np(SO4)2 - -llnl_gamma 3.0 - log_k +9.9000 - -delta_H 40.005 kJ/mol # Calculated enthalpy of reaction Np(SO4)2 +2 SO4-2 + Np+4 = Np(SO4)2 + -llnl_gamma 3 + log_k 9.9 + -delta_H 40.005 kJ/mol # Calculated enthalpy of reaction Np(SO4)2 # Enthalpy of formation: -558.126 kcal/mol - -analytic -9.0765e+002 -1.8494e-001 2.7951e+004 3.5521e+002 4.7702e+002 + -analytic -9.0765e+2 -1.8494e-1 2.7951e+4 3.5521e+2 4.7702e+2 # -Range: 25-150 -1.0000 Np++++ + 1.0000 Cl- = NpCl+++ - -llnl_gamma 5.0 - log_k +0.2000 - -delta_H 20.3737 kJ/mol # Calculated enthalpy of reaction NpCl+3 +Np+4 + Cl- = NpCl+3 + -llnl_gamma 5 + log_k 0.2 + -delta_H 20.3737 kJ/mol # Calculated enthalpy of reaction NpCl+3 # Enthalpy of formation: -167.951 kcal/mol - -analytic 8.3169e+002 2.6267e-001 -2.1618e+004 -3.3838e+002 -3.6898e+002 + -analytic 8.3169e+2 2.6267e-1 -2.1618e+4 -3.3838e+2 -3.6898e+2 # -Range: 25-150 -2.0000 Cl- + 1.0000 Np++++ = NpCl2++ - -llnl_gamma 4.5 - log_k -0.1 - -delta_H 94.5853 kJ/mol # Calculated enthalpy of reaction NpCl2+2 +2 Cl- + Np+4 = NpCl2+2 + -llnl_gamma 4.5 + log_k -0.1 + -delta_H 94.5853 kJ/mol # Calculated enthalpy of reaction NpCl2+2 # Enthalpy of formation: -190.147 kcal/mol - -analytic -1.5751e+003 -3.8759e-001 4.2054e+004 6.2619e+002 7.1777e+002 + -analytic -1.5751e+3 -3.8759e-1 4.2054e+4 6.2619e+2 7.1777e+2 # -Range: 25-150 -1.0000 Np++++ + 1.0000 F- = NpF+++ - -llnl_gamma 5.0 - log_k +8.7000 - -delta_H -3.43746 kJ/mol # Calculated enthalpy of reaction NpF+3 +Np+4 + F- = NpF+3 + -llnl_gamma 5 + log_k 8.7 + -delta_H -3.43746 kJ/mol # Calculated enthalpy of reaction NpF+3 # Enthalpy of formation: -213.859 kcal/mol - -analytic 2.7613e+000 1.3498e-003 -1.6411e+003 2.9074e+000 3.4192e+005 + -analytic 2.7613e+0 1.3498e-3 -1.6411e+3 2.9074e+0 3.4192e+5 # -Range: 25-150 -2.0000 F- + 1.0000 Np++++ = NpF2++ - -llnl_gamma 4.5 - log_k +15.4000 - -delta_H 6.03094 kJ/mol # Calculated enthalpy of reaction NpF2+2 +2 F- + Np+4 = NpF2+2 + -llnl_gamma 4.5 + log_k 15.4 + -delta_H 6.03094 kJ/mol # Calculated enthalpy of reaction NpF2+2 # Enthalpy of formation: -291.746 kcal/mol - -analytic -2.6793e+002 -4.2056e-002 9.7952e+003 1.0629e+002 1.6715e+002 + -analytic -2.6793e+2 -4.2056e-2 9.7952e+3 1.0629e+2 1.6715e+2 # -Range: 25-150 -1.0000 Np+++ + 1.0000 HPO4-- + 1.0000 H+ = NpH2PO4++ - -llnl_gamma 4.5 - log_k +2.4000 - -delta_H 6.0874 kJ/mol # Calculated enthalpy of reaction NpH2PO4+2 +Np+3 + HPO4-2 + H+ = NpH2PO4+2 + -llnl_gamma 4.5 + log_k 2.4 + -delta_H 6.0874 kJ/mol # Calculated enthalpy of reaction NpH2PO4+2 # Enthalpy of formation: -433.34 kcal/mol - -analytic 6.0731e+003 1.4733e+000 -1.7919e+005 -2.3880e+003 -3.0582e+003 + -analytic 6.0731e+3 1.4733e+0 -1.7919e+5 -2.388e+3 -3.0582e+3 # -Range: 25-150 -1.0000 Np++++ + 1.0000 HPO4-- = NpHPO4++ - -llnl_gamma 4.5 - log_k +12.9000 - -delta_H 7.54554 kJ/mol # Calculated enthalpy of reaction NpHPO4+2 +Np+4 + HPO4-2 = NpHPO4+2 + -llnl_gamma 4.5 + log_k 12.9 + -delta_H 7.54554 kJ/mol # Calculated enthalpy of reaction NpHPO4+2 # Enthalpy of formation: -439.899 kcal/mol - -analytic -7.2792e+003 -1.7476e+000 2.1770e+005 2.8624e+003 3.7154e+003 + -analytic -7.2792e+3 -1.7476e+0 2.177e+5 2.8624e+3 3.7154e+3 # -Range: 25-150 -2.0000 HCO3- + 1.0000 NpO2++ = NpO2(CO3)2-- +2.0000 H+ - -llnl_gamma 4.0 - log_k -6.6576 - -delta_H 57.2588 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)2-2 +2 HCO3- + NpO2+2 = NpO2(CO3)2-2 + 2 H+ + -llnl_gamma 4 + log_k -6.6576 + -delta_H 57.2588 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)2-2 # Enthalpy of formation: -521.77 kcal/mol - -analytic 2.6597e+002 7.5850e-002 -9.9987e+003 -1.0576e+002 -1.5610e+002 + -analytic 2.6597e+2 7.585e-2 -9.9987e+3 -1.0576e+2 -1.561e+2 # -Range: 0-300 -2.0000 HCO3- + 1.0000 NpO2+ = NpO2(CO3)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -13.6576 - -delta_H 58.1553 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)2-3 +2 HCO3- + NpO2+ = NpO2(CO3)2-3 + 2 H+ + -llnl_gamma 4 + log_k -13.6576 + -delta_H 58.1553 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)2-3 # Enthalpy of formation: -549.642 kcal/mol - -analytic 2.6012e+002 7.3174e-002 -1.0250e+004 -1.0556e+002 -1.6002e+002 + -analytic 2.6012e+2 7.3174e-2 -1.025e+4 -1.0556e+2 -1.6002e+2 # -Range: 0-300 -3.0000 HCO3- + 1.0000 NpO2+ = NpO2(CO3)3-5 +3.0000 H+ - -llnl_gamma 4.0 - log_k -22.4864 - -delta_H 70.176 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)3-5 +3 HCO3- + NpO2+ = NpO2(CO3)3-5 + 3 H+ + -llnl_gamma 4 + log_k -22.4864 + -delta_H 70.176 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)3-5 # Enthalpy of formation: -711.667 kcal/mol - -analytic 3.7433e+002 1.2938e-001 -1.2791e+004 -1.5861e+002 -1.9970e+002 + -analytic 3.7433e+2 1.2938e-1 -1.2791e+4 -1.5861e+2 -1.997e+2 # -Range: 0-300 -3.0000 HCO3- + 1.0000 NpO2++ = NpO2(CO3)3---- +3.0000 H+ - -llnl_gamma 4.0 - log_k -10.5864 - -delta_H 3.14711 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)3-4 +3 HCO3- + NpO2+2 = NpO2(CO3)3-4 + 3 H+ + -llnl_gamma 4 + log_k -10.5864 + -delta_H 3.14711 kJ/mol # Calculated enthalpy of reaction NpO2(CO3)3-4 # Enthalpy of formation: -699.601 kcal/mol - -analytic 3.7956e+002 1.1163e-001 -1.0607e+004 -1.5674e+002 -1.6562e+002 + -analytic 3.7956e+2 1.1163e-1 -1.0607e+4 -1.5674e+2 -1.6562e+2 # -Range: 0-300 -1.0000 NpO2+ + 1.0000 HCO3- = NpO2CO3- +1.0000 H+ - -llnl_gamma 4.0 - log_k -5.7288 - -delta_H 69.1634 kJ/mol # Calculated enthalpy of reaction NpO2CO3- +NpO2+ + HCO3- = NpO2CO3- + H+ + -llnl_gamma 4 + log_k -5.7288 + -delta_H 69.1634 kJ/mol # Calculated enthalpy of reaction NpO2CO3- # Enthalpy of formation: -382.113 kcal/mol - -analytic 1.4634e+002 2.6576e-002 -8.2036e+003 -5.3534e+001 -1.2805e+002 + -analytic 1.4634e+2 2.6576e-2 -8.2036e+3 -5.3534e+1 -1.2805e+2 # -Range: 0-300 -1.0000 NpO2+ + 1.0000 Cl- = NpO2Cl - -llnl_gamma 3.0 - log_k -0.4 - -delta_H 15.4492 kJ/mol # Calculated enthalpy of reaction NpO2Cl +NpO2+ + Cl- = NpO2Cl + -llnl_gamma 3 + log_k -0.4 + -delta_H 15.4492 kJ/mol # Calculated enthalpy of reaction NpO2Cl # Enthalpy of formation: -269.986 kcal/mol - -analytic 4.5109e+002 9.0437e-002 -1.5453e+004 -1.7241e+002 -2.6371e+002 + -analytic 4.5109e+2 9.0437e-2 -1.5453e+4 -1.7241e+2 -2.6371e+2 # -Range: 25-150 -1.0000 NpO2++ + 1.0000 Cl- = NpO2Cl+ - -llnl_gamma 4.0 - log_k -0.2 - -delta_H 11.6239 kJ/mol # Calculated enthalpy of reaction NpO2Cl+ +NpO2+2 + Cl- = NpO2Cl+ + -llnl_gamma 4 + log_k -0.2 + -delta_H 11.6239 kJ/mol # Calculated enthalpy of reaction NpO2Cl+ # Enthalpy of formation: -242.814 kcal/mol - -analytic -1.2276e+003 -2.5435e-001 3.8507e+004 4.7447e+002 6.5715e+002 + -analytic -1.2276e+3 -2.5435e-1 3.8507e+4 4.7447e+2 6.5715e+2 # -Range: 25-150 -1.0000 NpO2+ + 1.0000 F- = NpO2F - -llnl_gamma 3.0 - log_k +1.0000 - -delta_H 34.2521 kJ/mol # Calculated enthalpy of reaction NpO2F +NpO2+ + F- = NpO2F + -llnl_gamma 3 + log_k 1 + -delta_H 34.2521 kJ/mol # Calculated enthalpy of reaction NpO2F # Enthalpy of formation: -305.709 kcal/mol - -analytic -1.9364e+002 -4.4083e-002 4.5602e+003 7.7791e+001 7.7840e+001 + -analytic -1.9364e+2 -4.4083e-2 4.5602e+3 7.7791e+1 7.784e+1 # -Range: 25-150 -1.0000 NpO2++ + 1.0000 F- = NpO2F+ - -llnl_gamma 4.0 - log_k +4.6000 - -delta_H 0.883568 kJ/mol # Calculated enthalpy of reaction NpO2F+ +NpO2+2 + F- = NpO2F+ + -llnl_gamma 4 + log_k 4.6 + -delta_H 0.883568 kJ/mol # Calculated enthalpy of reaction NpO2F+ # Enthalpy of formation: -285.598 kcal/mol - -analytic 9.6320e+002 2.4799e-001 -2.7614e+004 -3.7985e+002 -4.7128e+002 + -analytic 9.632e+2 2.4799e-1 -2.7614e+4 -3.7985e+2 -4.7128e+2 # -Range: 25-150 -2.0000 F- + 1.0000 NpO2++ = NpO2F2 - -llnl_gamma 3.0 - log_k +7.8000 - -delta_H 2.60319 kJ/mol # Calculated enthalpy of reaction NpO2F2 +2 F- + NpO2+2 = NpO2F2 + -llnl_gamma 3 + log_k 7.8 + -delta_H 2.60319 kJ/mol # Calculated enthalpy of reaction NpO2F2 # Enthalpy of formation: -365.337 kcal/mol - -analytic 1.9648e+002 6.4083e-002 -4.5601e+003 -7.7790e+001 -7.7840e+001 + -analytic 1.9648e+2 6.4083e-2 -4.5601e+3 -7.779e+1 -7.784e+1 # -Range: 25-150 -1.0000 NpO2+ + 1.0000 HPO4-- + 1.0000 H+ = NpO2H2PO4 - -llnl_gamma 3.0 - log_k +0.6000 - -delta_H 18.717 kJ/mol # Calculated enthalpy of reaction NpO2H2PO4 +NpO2+ + HPO4-2 + H+ = NpO2H2PO4 + -llnl_gamma 3 + log_k 0.6 + -delta_H 18.717 kJ/mol # Calculated enthalpy of reaction NpO2H2PO4 # Enthalpy of formation: -538.087 kcal/mol - -analytic 1.0890e+003 2.7738e-001 -3.0654e+004 -4.3171e+002 -5.2317e+002 + -analytic 1.089e+3 2.7738e-1 -3.0654e+4 -4.3171e+2 -5.2317e+2 # -Range: 25-150 -1.0000 NpO2++ + 1.0000 HPO4-- + 1.0000 H+ = NpO2H2PO4+ - -llnl_gamma 4.0 - log_k +2.3000 - -delta_H 9.31014 kJ/mol # Calculated enthalpy of reaction NpO2H2PO4+ +NpO2+2 + HPO4-2 + H+ = NpO2H2PO4+ + -llnl_gamma 4 + log_k 2.3 + -delta_H 9.31014 kJ/mol # Calculated enthalpy of reaction NpO2H2PO4+ # Enthalpy of formation: -512.249 kcal/mol - -analytic -5.6996e+003 -1.4008e+000 1.6898e+005 2.2441e+003 2.8838e+003 + -analytic -5.6996e+3 -1.4008e+0 1.6898e+5 2.2441e+3 2.8838e+3 # -Range: 25-150 -1.0000 NpO2++ + 1.0000 HPO4-- = NpO2HPO4 - -llnl_gamma 3.0 - log_k +8.2000 - -delta_H -6.47609 kJ/mol # Calculated enthalpy of reaction NpO2HPO4 +NpO2+2 + HPO4-2 = NpO2HPO4 + -llnl_gamma 3 + log_k 8.2 + -delta_H -6.47609 kJ/mol # Calculated enthalpy of reaction NpO2HPO4 # Enthalpy of formation: -516.022 kcal/mol - -analytic 4.8515e+003 1.2189e+000 -1.4069e+005 -1.9135e+003 -2.4011e+003 + -analytic 4.8515e+3 1.2189e+0 -1.4069e+5 -1.9135e+3 -2.4011e+3 # -Range: 25-150 -1.0000 NpO2+ + 1.0000 HPO4-- = NpO2HPO4- - -llnl_gamma 4.0 - log_k +3.5000 - -delta_H 49.8668 kJ/mol # Calculated enthalpy of reaction NpO2HPO4- +NpO2+ + HPO4-2 = NpO2HPO4- + -llnl_gamma 4 + log_k 3.5 + -delta_H 49.8668 kJ/mol # Calculated enthalpy of reaction NpO2HPO4- # Enthalpy of formation: -530.642 kcal/mol - -analytic -4.1705e+003 -9.9302e-001 1.2287e+005 1.6399e+003 2.0969e+003 + -analytic -4.1705e+3 -9.9302e-1 1.2287e+5 1.6399e+3 2.0969e+3 # -Range: 25-150 -1.0000 NpO2+ + 1.0000 H2O = NpO2OH +1.0000 H+ - -llnl_gamma 3.0 - log_k -8.9 - -delta_H 43.6285 kJ/mol # Calculated enthalpy of reaction NpO2OH +NpO2+ + H2O = NpO2OH + H+ + -llnl_gamma 3 + log_k -8.9 + -delta_H 43.6285 kJ/mol # Calculated enthalpy of reaction NpO2OH # Enthalpy of formation: -291.635 kcal/mol - -analytic -4.5710e+002 -1.2286e-001 1.0640e+004 1.8151e+002 1.8163e+002 + -analytic -4.571e+2 -1.2286e-1 1.064e+4 1.8151e+2 1.8163e+2 # -Range: 25-150 -1.0000 NpO2++ + 1.0000 H2O = NpO2OH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -5.2 - -delta_H 43.3805 kJ/mol # Calculated enthalpy of reaction NpO2OH+ +NpO2+2 + H2O = NpO2OH+ + H+ + -llnl_gamma 4 + log_k -5.2 + -delta_H 43.3805 kJ/mol # Calculated enthalpy of reaction NpO2OH+ # Enthalpy of formation: -263.608 kcal/mol - -analytic 1.7485e+002 4.0017e-002 -7.5154e+003 -6.7399e+001 -1.2823e+002 + -analytic 1.7485e+2 4.0017e-2 -7.5154e+3 -6.7399e+1 -1.2823e+2 # -Range: 25-150 -1.0000 SO4-- + 1.0000 NpO2++ = NpO2SO4 - -llnl_gamma 3.0 - log_k +3.3000 - -delta_H 19.8789 kJ/mol # Calculated enthalpy of reaction NpO2SO4 +SO4-2 + NpO2+2 = NpO2SO4 + -llnl_gamma 3 + log_k 3.3 + -delta_H 19.8789 kJ/mol # Calculated enthalpy of reaction NpO2SO4 # Enthalpy of formation: -418.308 kcal/mol - -analytic -1.5624e+002 7.3296e-003 6.7555e+003 5.4435e+001 1.1527e+002 + -analytic -1.5624e+2 7.3296e-3 6.7555e+3 5.4435e+1 1.1527e+2 # -Range: 25-150 -1.0000 SO4-- + 1.0000 NpO2+ = NpO2SO4- - -llnl_gamma 4.0 - log_k +0.4000 - -delta_H 19.1395 kJ/mol # Calculated enthalpy of reaction NpO2SO4- +SO4-2 + NpO2+ = NpO2SO4- + -llnl_gamma 4 + log_k 0.4 + -delta_H 19.1395 kJ/mol # Calculated enthalpy of reaction NpO2SO4- # Enthalpy of formation: -446.571 kcal/mol - -analytic -3.1804e+002 -9.3472e-002 7.6002e+003 1.2965e+002 1.2973e+002 + -analytic -3.1804e+2 -9.3472e-2 7.6002e+3 1.2965e+2 1.2973e+2 # -Range: 25-150 -1.0000 Np+++ + 1.0000 H2O = NpOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7 - -delta_H 50.1031 kJ/mol # Calculated enthalpy of reaction NpOH+2 +Np+3 + H2O = NpOH+2 + H+ + -llnl_gamma 4.5 + log_k -7 + -delta_H 50.1031 kJ/mol # Calculated enthalpy of reaction NpOH+2 # Enthalpy of formation: -182.322 kcal/mol - -analytic 1.4062e+002 3.2671e-002 -6.7555e+003 -5.4435e+001 -1.1526e+002 + -analytic 1.4062e+2 3.2671e-2 -6.7555e+3 -5.4435e+1 -1.1526e+2 # -Range: 25-150 -1.0000 Np++++ + 1.0000 H2O = NpOH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -1 - -delta_H 51.0089 kJ/mol # Calculated enthalpy of reaction NpOH+3 +Np+4 + H2O = NpOH+3 + H+ + -llnl_gamma 5 + log_k -1 + -delta_H 51.0089 kJ/mol # Calculated enthalpy of reaction NpOH+3 # Enthalpy of formation: -189.013 kcal/mol - -analytic -1.8373e+002 -5.2443e-002 2.7025e+003 7.6503e+001 4.6154e+001 + -analytic -1.8373e+2 -5.2443e-2 2.7025e+3 7.6503e+1 4.6154e+1 # -Range: 25-150 -1.0000 SO4-- + 1.0000 Np++++ = NpSO4++ - -llnl_gamma 4.5 - log_k +5.5000 - -delta_H 20.7377 kJ/mol # Calculated enthalpy of reaction NpSO4+2 +SO4-2 + Np+4 = NpSO4+2 + -llnl_gamma 4.5 + log_k 5.5 + -delta_H 20.7377 kJ/mol # Calculated enthalpy of reaction NpSO4+2 # Enthalpy of formation: -345.331 kcal/mol - -analytic 3.9477e+002 1.1981e-001 -1.0978e+004 -1.5687e+002 -1.8736e+002 + -analytic 3.9477e+2 1.1981e-1 -1.0978e+4 -1.5687e+2 -1.8736e+2 # -Range: 25-150 -1.0000 H2O = OH- +1.0000 H+ - -llnl_gamma 3.5 - log_k -13.9951 - -delta_H 55.8146 kJ/mol # Calculated enthalpy of reaction OH- +H2O = OH- + H+ + -llnl_gamma 3.5 + log_k -13.9951 + -delta_H 55.8146 kJ/mol # Calculated enthalpy of reaction OH- # Enthalpy of formation: -54.977 kcal/mol - -analytic -6.7506e+001 -3.0619e-002 -1.9901e+003 2.8004e+001 -3.1033e+001 + -analytic -6.7506e+1 -3.0619e-2 -1.9901e+3 2.8004e+1 -3.1033e+1 # -Range: 0-300 -2.0000 HPO4-- = P2O7---- +1.0000 H2O - -llnl_gamma 4.0 - log_k -3.7463 - -delta_H 27.2256 kJ/mol # Calculated enthalpy of reaction P2O7-4 +2 HPO4-2 = P2O7-4 + H2O + -llnl_gamma 4 + log_k -3.7463 + -delta_H 27.2256 kJ/mol # Calculated enthalpy of reaction P2O7-4 # Enthalpy of formation: -2271.1 kJ/mol - -analytic 4.0885e+002 1.3243e-001 -1.1373e+004 -1.6727e+002 -1.7758e+002 + -analytic 4.0885e+2 1.3243e-1 -1.1373e+4 -1.6727e+2 -1.7758e+2 # -Range: 0-300 -3.0000 H+ + 1.0000 HPO4-- = PH4+ +2.0000 O2 - -llnl_gamma 4.0 - log_k -212.7409 - -delta_H 0 # Not possible to calculate enthalpy of reaction PH4+ +3 H+ + HPO4-2 = PH4+ + 2 O2 + -llnl_gamma 4 + log_k -212.7409 + -delta_H 0 # Not possible to calculate enthalpy of reaction PH4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- + 1.0000 H+ + 1.0000 F- = PO3F-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +7.1993 - -delta_H 0 # Not possible to calculate enthalpy of reaction PO3F-2 + +HPO4-2 + H+ + F- = PO3F-2 + H2O + -llnl_gamma 4 + log_k 7.1993 + -delta_H 0 # Not possible to calculate enthalpy of reaction PO3F-2 # Enthalpy of formation: -0 kcal/mol - -1.0000 HPO4-- = PO4--- +1.0000 H+ - -llnl_gamma 4.0 - log_k -12.3218 - -delta_H 14.7068 kJ/mol # Calculated enthalpy of reaction PO4-3 + +HPO4-2 = PO4-3 + H+ + -llnl_gamma 4 + log_k -12.3218 + -delta_H 14.7068 kJ/mol # Calculated enthalpy of reaction PO4-3 # Enthalpy of formation: -305.3 kcal/mol - -analytic -7.6170e+001 -3.3574e-002 1.3405e+002 2.9658e+001 2.1140e+000 + -analytic -7.617e+1 -3.3574e-2 1.3405e+2 2.9658e+1 2.114e+0 # -Range: 0-300 -2.0000 BrO3- + 1.0000 Pb++ = Pb(BrO3)2 - -llnl_gamma 3.0 - log_k +5.1939 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(BrO3)2 +2 BrO3- + Pb+2 = Pb(BrO3)2 + -llnl_gamma 3 + log_k 5.1939 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(BrO3)2 # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Pb++ = Pb(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -6.1133 - -delta_H 10.5437 kJ/mol # Calculated enthalpy of reaction Pb(Acetate)2 + +2 HAcetate + Pb+2 = Pb(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -6.1133 + -delta_H 10.5437 kJ/mol # Calculated enthalpy of reaction Pb(Acetate)2 # Enthalpy of formation: -229.46 kcal/mol - -analytic -1.7315e+001 -1.0618e-003 -3.6365e+003 6.9263e+000 5.8659e+005 + -analytic -1.7315e+1 -1.0618e-3 -3.6365e+3 6.9263e+0 5.8659e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Pb++ = Pb(Acetate)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -8.972 - -delta_H -2.84512 kJ/mol # Calculated enthalpy of reaction Pb(Acetate)3- +3 HAcetate + Pb+2 = Pb(Acetate)3- + 3 H+ + -llnl_gamma 4 + log_k -8.972 + -delta_H -2.84512 kJ/mol # Calculated enthalpy of reaction Pb(Acetate)3- # Enthalpy of formation: -348.76 kcal/mol - -analytic 1.2417e+001 -3.1481e-003 -9.4152e+003 -1.6846e+000 1.3623e+006 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 Pb++ = Pb(CO3)2-- +2.0000 H+ - -llnl_gamma 4.0 - log_k -11.2576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(CO3)2-2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 ClO3- + 1.0000 Pb++ = Pb(ClO3)2 - -llnl_gamma 3.0 - log_k -0.5133 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(ClO3)2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Pb++ = Pb(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -17.0902 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(OH)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Pb++ = Pb(OH)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -28.0852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(OH)3- -# Enthalpy of formation: -0 kcal/mol - -2.0000 Thiocyanate- + 1.0000 Pb++ = Pb(Thiocyanate)2 - -llnl_gamma 3.0 - log_k +1.2455 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(Thiocyanate)2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 Pb++ + 1.0000 H2O = Pb2OH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -6.3951 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb2OH+3 -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 3.0000 Pb++ = Pb3(OH)4++ +4.0000 H+ - -llnl_gamma 4.5 - log_k -23.8803 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb3(OH)4+2 -# Enthalpy of formation: -0 kcal/mol - -4.0000 Pb++ + 4.0000 H2O = Pb4(OH)4++++ +4.0000 H+ - -llnl_gamma 5.5 - log_k -20.8803 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb4(OH)4+4 -# Enthalpy of formation: -0 kcal/mol - -8.0000 H2O + 6.0000 Pb++ = Pb6(OH)8++++ +8.0000 H+ - -llnl_gamma 5.5 - log_k -43.5606 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb6(OH)8+4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 Br- = PbBr+ - -llnl_gamma 4.0 - log_k +1.1831 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbBr+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 Br- + 1.0000 Pb++ = PbBr2 - -llnl_gamma 3.0 - log_k +1.5062 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbBr2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 Br- + 1.0000 Pb++ = PbBr3- - -llnl_gamma 4.0 - log_k +1.2336 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbBr3- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 BrO3- = PbBrO3+ - -llnl_gamma 4.0 - log_k +1.9373 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbBrO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 HAcetate = PbAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.3603 - -delta_H -2.33147e-15 kJ/mol # Calculated enthalpy of reaction PbAcetate+ + -analytic 1.2417e+1 -3.1481e-3 -9.4152e+3 -1.6846e+0 1.3623e+6 +# -Range: 0-300 + +2 HCO3- + Pb+2 = Pb(CO3)2-2 + 2 H+ + -llnl_gamma 4 + log_k -11.2576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(CO3)2-2 +# Enthalpy of formation: -0 kcal/mol + +2 ClO3- + Pb+2 = Pb(ClO3)2 + -llnl_gamma 3 + log_k -0.5133 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(ClO3)2 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Pb+2 = Pb(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -17.0902 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(OH)2 +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Pb+2 = Pb(OH)3- + 3 H+ + -llnl_gamma 4 + log_k -28.0852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(OH)3- +# Enthalpy of formation: -0 kcal/mol + +2 Thiocyanate- + Pb+2 = Pb(Thiocyanate)2 + -llnl_gamma 3 + log_k 1.2455 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(Thiocyanate)2 +# Enthalpy of formation: -0 kcal/mol + +2 Pb+2 + H2O = Pb2OH+3 + H+ + -llnl_gamma 5 + log_k -6.3951 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb2OH+3 +# Enthalpy of formation: -0 kcal/mol + +4 H2O + 3 Pb+2 = Pb3(OH)4+2 + 4 H+ + -llnl_gamma 4.5 + log_k -23.8803 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb3(OH)4+2 +# Enthalpy of formation: -0 kcal/mol + +4 Pb+2 + 4 H2O = Pb4(OH)4+4 + 4 H+ + -llnl_gamma 5.5 + log_k -20.8803 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb4(OH)4+4 +# Enthalpy of formation: -0 kcal/mol + +8 H2O + 6 Pb+2 = Pb6(OH)8+4 + 8 H+ + -llnl_gamma 5.5 + log_k -43.5606 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb6(OH)8+4 +# Enthalpy of formation: -0 kcal/mol + +Pb+2 + Br- = PbBr+ + -llnl_gamma 4 + log_k 1.1831 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbBr+ +# Enthalpy of formation: -0 kcal/mol + +2 Br- + Pb+2 = PbBr2 + -llnl_gamma 3 + log_k 1.5062 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbBr2 +# Enthalpy of formation: -0 kcal/mol + +3 Br- + Pb+2 = PbBr3- + -llnl_gamma 4 + log_k 1.2336 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbBr3- +# Enthalpy of formation: -0 kcal/mol + +Pb+2 + BrO3- = PbBrO3+ + -llnl_gamma 4 + log_k 1.9373 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbBrO3+ +# Enthalpy of formation: -0 kcal/mol + +Pb+2 + HAcetate = PbAcetate+ + H+ + -llnl_gamma 4 + log_k -2.3603 + -delta_H -2.33147e-15 kJ/mol # Calculated enthalpy of reaction PbAcetate+ # Enthalpy of formation: -115.88 kcal/mol - -analytic -2.6822e+001 1.0992e-003 7.3688e+002 8.4407e+000 7.0266e+004 + -analytic -2.6822e+1 1.0992e-3 7.3688e+2 8.4407e+0 7.0266e+4 # -Range: 0-300 -1.0000 Pb++ + 1.0000 HCO3- = PbCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -3.7488 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbCO3 +Pb+2 + HCO3- = PbCO3 + H+ + -llnl_gamma 3 + log_k -3.7488 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbCO3 # Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 Cl- = PbCl+ - -llnl_gamma 4.0 - log_k +1.4374 - -delta_H 4.53127 kJ/mol # Calculated enthalpy of reaction PbCl+ + +Pb+2 + Cl- = PbCl+ + -llnl_gamma 4 + log_k 1.4374 + -delta_H 4.53127 kJ/mol # Calculated enthalpy of reaction PbCl+ # Enthalpy of formation: -38.63 kcal/mol - -analytic 1.1948e+002 4.3527e-002 -2.7666e+003 -4.9190e+001 -4.3206e+001 + -analytic 1.1948e+2 4.3527e-2 -2.7666e+3 -4.919e+1 -4.3206e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Pb++ = PbCl2 - -llnl_gamma 3.0 - log_k +2.0026 - -delta_H 8.14206 kJ/mol # Calculated enthalpy of reaction PbCl2 +2 Cl- + Pb+2 = PbCl2 + -llnl_gamma 3 + log_k 2.0026 + -delta_H 8.14206 kJ/mol # Calculated enthalpy of reaction PbCl2 # Enthalpy of formation: -77.7 kcal/mol - -analytic 2.2537e+002 7.7574e-002 -5.5112e+003 -9.2131e+001 -8.6064e+001 + -analytic 2.2537e+2 7.7574e-2 -5.5112e+3 -9.2131e+1 -8.6064e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Pb++ = PbCl3- - -llnl_gamma 4.0 - log_k +1.6881 - -delta_H 7.86174 kJ/mol # Calculated enthalpy of reaction PbCl3- +3 Cl- + Pb+2 = PbCl3- + -llnl_gamma 4 + log_k 1.6881 + -delta_H 7.86174 kJ/mol # Calculated enthalpy of reaction PbCl3- # Enthalpy of formation: -117.7 kcal/mol - -analytic 2.5254e+002 8.9159e-002 -6.0116e+003 -1.0395e+002 -9.3880e+001 + -analytic 2.5254e+2 8.9159e-2 -6.0116e+3 -1.0395e+2 -9.388e+1 # -Range: 0-300 -4.0000 Cl- + 1.0000 Pb++ = PbCl4-- - -llnl_gamma 4.0 - log_k +1.4909 - -delta_H -7.18811 kJ/mol # Calculated enthalpy of reaction PbCl4-2 +4 Cl- + Pb+2 = PbCl4-2 + -llnl_gamma 4 + log_k 1.4909 + -delta_H -7.18811 kJ/mol # Calculated enthalpy of reaction PbCl4-2 # Enthalpy of formation: -161.23 kcal/mol - -analytic 1.4048e+002 7.6332e-002 -1.1507e+003 -6.3786e+001 -1.7997e+001 -# -Range: 0-300 - -1.0000 Pb++ + 1.0000 ClO3- = PbClO3+ - -llnl_gamma 4.0 - log_k -0.2208 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbClO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 F- = PbF+ - -llnl_gamma 4.0 - log_k +0.8284 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbF+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 F- + 1.0000 Pb++ = PbF2 - -llnl_gamma 3.0 - log_k +1.6132 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbF2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 HPO4-- + 1.0000 H+ = PbH2PO4+ - -llnl_gamma 4.0 - log_k +1.5000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbH2PO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 HPO4-- = PbHPO4 - -llnl_gamma 3.0 - log_k +3.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbHPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 I- = PbI+ - -llnl_gamma 4.0 - log_k +1.9597 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbI+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 I- + 1.0000 Pb++ = PbI2 - -llnl_gamma 3.0 - log_k +2.7615 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbI2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 I- + 1.0000 Pb++ = PbI3- - -llnl_gamma 4.0 - log_k +3.3355 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbI3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 I- + 1.0000 Pb++ = PbI4-- - -llnl_gamma 4.0 - log_k +4.0672 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbI4-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 NO3- = PbNO3+ - -llnl_gamma 4.0 - log_k +1.2271 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbNO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pb++ + 1.0000 H2O = PbOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -7.6951 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbOH+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Pb++ = PbP2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +7.4136 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbP2O7-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Thiocyanate- + 1.0000 Pb++ = PbThiocyanate+ - -llnl_gamma 4.0 - log_k +0.9827 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbThiocyanate+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pd++ + 1.0000 Cl- = PdCl+ - -llnl_gamma 4.0 - log_k +6.0993 - -delta_H -31.995 kJ/mol # Calculated enthalpy of reaction PdCl+ + -analytic 1.4048e+2 7.6332e-2 -1.1507e+3 -6.3786e+1 -1.7997e+1 +# -Range: 0-300 + +Pb+2 + ClO3- = PbClO3+ + -llnl_gamma 4 + log_k -0.2208 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbClO3+ +# Enthalpy of formation: -0 kcal/mol + +Pb+2 + F- = PbF+ + -llnl_gamma 4 + log_k 0.8284 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbF+ +# Enthalpy of formation: -0 kcal/mol + +2 F- + Pb+2 = PbF2 + -llnl_gamma 3 + log_k 1.6132 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbF2 +# Enthalpy of formation: -0 kcal/mol + +Pb+2 + HPO4-2 + H+ = PbH2PO4+ + -llnl_gamma 4 + log_k 1.5 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbH2PO4+ +# Enthalpy of formation: -0 kcal/mol + +Pb+2 + HPO4-2 = PbHPO4 + -llnl_gamma 3 + log_k 3.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbHPO4 +# Enthalpy of formation: -0 kcal/mol + +Pb+2 + I- = PbI+ + -llnl_gamma 4 + log_k 1.9597 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbI+ +# Enthalpy of formation: -0 kcal/mol + +2 I- + Pb+2 = PbI2 + -llnl_gamma 3 + log_k 2.7615 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbI2 +# Enthalpy of formation: -0 kcal/mol + +3 I- + Pb+2 = PbI3- + -llnl_gamma 4 + log_k 3.3355 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbI3- +# Enthalpy of formation: -0 kcal/mol + +4 I- + Pb+2 = PbI4-2 + -llnl_gamma 4 + log_k 4.0672 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbI4-2 +# Enthalpy of formation: -0 kcal/mol + +Pb+2 + NO3- = PbNO3+ + -llnl_gamma 4 + log_k 1.2271 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbNO3+ +# Enthalpy of formation: -0 kcal/mol + +Pb+2 + H2O = PbOH+ + H+ + -llnl_gamma 4 + log_k -7.6951 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbOH+ +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Pb+2 = PbP2O7-2 + H2O + -llnl_gamma 4 + log_k 7.4136 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbP2O7-2 +# Enthalpy of formation: -0 kcal/mol + +Thiocyanate- + Pb+2 = PbThiocyanate+ + -llnl_gamma 4 + log_k 0.9827 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbThiocyanate+ +# Enthalpy of formation: -0 kcal/mol + +Pd+2 + Cl- = PdCl+ + -llnl_gamma 4 + log_k 6.0993 + -delta_H -31.995 kJ/mol # Calculated enthalpy of reaction PdCl+ # Enthalpy of formation: -5.5 kcal/mol - -analytic 7.2852e+001 3.6886e-002 7.3102e+002 -3.2402e+001 1.1385e+001 + -analytic 7.2852e+1 3.6886e-2 7.3102e+2 -3.2402e+1 1.1385e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Pd++ = PdCl2 - -llnl_gamma 3.0 - log_k +10.7327 - -delta_H -66.1658 kJ/mol # Calculated enthalpy of reaction PdCl2 +2 Cl- + Pd+2 = PdCl2 + -llnl_gamma 3 + log_k 10.7327 + -delta_H -66.1658 kJ/mol # Calculated enthalpy of reaction PdCl2 # Enthalpy of formation: -53.6 kcal/mol - -analytic 1.6849e+002 7.9321e-002 8.2874e+002 -7.4416e+001 1.2882e+001 + -analytic 1.6849e+2 7.9321e-2 8.2874e+2 -7.4416e+1 1.2882e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Pd++ = PdCl3- - -llnl_gamma 4.0 - log_k +13.0937 - -delta_H -101.592 kJ/mol # Calculated enthalpy of reaction PdCl3- +3 Cl- + Pd+2 = PdCl3- + -llnl_gamma 4 + log_k 13.0937 + -delta_H -101.592 kJ/mol # Calculated enthalpy of reaction PdCl3- # Enthalpy of formation: -102 kcal/mol - -analytic 4.5978e+001 6.2999e-002 6.9333e+003 -3.0257e+001 1.0817e+002 + -analytic 4.5978e+1 6.2999e-2 6.9333e+3 -3.0257e+1 1.0817e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Pd++ = PdCl4-- - -llnl_gamma 4.0 - log_k +15.1615 - -delta_H -152.08 kJ/mol # Calculated enthalpy of reaction PdCl4-2 +4 Cl- + Pd+2 = PdCl4-2 + -llnl_gamma 4 + log_k 15.1615 + -delta_H -152.08 kJ/mol # Calculated enthalpy of reaction PdCl4-2 # Enthalpy of formation: -154 kcal/mol - -analytic -3.2209e+001 5.3432e-002 1.2180e+004 -3.7814e+000 1.9006e+002 + -analytic -3.2209e+1 5.3432e-2 1.218e+4 -3.7814e+0 1.9006e+2 # -Range: 0-300 -1.0000 Pd++ + 1.0000 H2O = PdO +2.0000 H+ - -llnl_gamma 3.0 - log_k -2.19 - -delta_H 6.43081 kJ/mol # Calculated enthalpy of reaction PdO +Pd+2 + H2O = PdO + 2 H+ + -llnl_gamma 3 + log_k -2.19 + -delta_H 6.43081 kJ/mol # Calculated enthalpy of reaction PdO # Enthalpy of formation: -24.7 kcal/mol - -analytic 1.3587e+002 2.9292e-002 -4.6645e+003 -5.2997e+001 -7.2825e+001 + -analytic 1.3587e+2 2.9292e-2 -4.6645e+3 -5.2997e+1 -7.2825e+1 # -Range: 0-300 -1.0000 Pd++ + 1.0000 H2O = PdOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -1.0905 - -delta_H -3.19239 kJ/mol # Calculated enthalpy of reaction PdOH+ +Pd+2 + H2O = PdOH+ + H+ + -llnl_gamma 4 + log_k -1.0905 + -delta_H -3.19239 kJ/mol # Calculated enthalpy of reaction PdOH+ # Enthalpy of formation: -27 kcal/mol - -analytic 1.4291e+001 5.8382e-003 -1.9881e+002 -6.6475e+000 -3.1065e+000 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 Pm+++ = Pm(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.9576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Pm+++ = Pm(HPO4)2- - -llnl_gamma 4.0 - log_k +9.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(HPO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Pm+++ = Pm(OH)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -16.7902 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)2+ -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Pm+++ = Pm(OH)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -26.1852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Pm+++ = Pm(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.6837 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Pm+++ = Pm(SO4)2- - -llnl_gamma 4.0 - log_k +5.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pm+++ + 1.0000 HCO3- = PmCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.6288 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmCO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pm+++ + 1.0000 Cl- = PmCl++ - -llnl_gamma 4.5 - log_k +0.3400 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmCl+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pm+++ + 1.0000 F- = PmF++ - -llnl_gamma 4.5 - log_k +3.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmF+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pm+++ + 1.0000 HPO4-- + 1.0000 H+ = PmH2PO4++ - -llnl_gamma 4.5 - log_k +9.6054 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmH2PO4+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pm+++ + 1.0000 HCO3- = PmHCO3++ - -llnl_gamma 4.5 - log_k +2.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmHCO3+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pm+++ + 1.0000 HPO4-- = PmHPO4+ - -llnl_gamma 4.0 - log_k +5.5000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmHPO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pm+++ + 1.0000 NO3- = PmNO3++ - -llnl_gamma 4.5 - log_k +1.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmNO3+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pm+++ + 1.0000 H2O = PmOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.9951 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmOH+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pm+++ + 1.0000 HPO4-- = PmPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k -0.3718 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Pm+++ = PmSO4+ - -llnl_gamma 4.0 - log_k +3.5000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmSO4+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Pr+++ = Pr(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.8525 - -delta_H -23.8906 kJ/mol # Calculated enthalpy of reaction Pr(Acetate)2+ + -analytic 1.4291e+1 5.8382e-3 -1.9881e+2 -6.6475e+0 -3.1065e+0 +# -Range: 0-300 + +2 HCO3- + Pm+3 = Pm(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.9576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Pm+3 = Pm(HPO4)2- + -llnl_gamma 4 + log_k 9.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Pm+3 = Pm(OH)2+ + 2 H+ + -llnl_gamma 4 + log_k -16.7902 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)2+ +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Pm+3 = Pm(OH)3 + 3 H+ + -llnl_gamma 3 + log_k -26.1852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3 +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Pm+3 = Pm(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -4.6837 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Pm+3 = Pm(SO4)2- + -llnl_gamma 4 + log_k 5.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Pm+3 + HCO3- = PmCO3+ + H+ + -llnl_gamma 4 + log_k -2.6288 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmCO3+ +# Enthalpy of formation: -0 kcal/mol + +Pm+3 + Cl- = PmCl+2 + -llnl_gamma 4.5 + log_k 0.34 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmCl+2 +# Enthalpy of formation: -0 kcal/mol + +Pm+3 + F- = PmF+2 + -llnl_gamma 4.5 + log_k 3.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmF+2 +# Enthalpy of formation: -0 kcal/mol + +Pm+3 + HPO4-2 + H+ = PmH2PO4+2 + -llnl_gamma 4.5 + log_k 9.6054 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmH2PO4+2 +# Enthalpy of formation: -0 kcal/mol + +Pm+3 + HCO3- = PmHCO3+2 + -llnl_gamma 4.5 + log_k 2.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmHCO3+2 +# Enthalpy of formation: -0 kcal/mol + +Pm+3 + HPO4-2 = PmHPO4+ + -llnl_gamma 4 + log_k 5.5 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmHPO4+ +# Enthalpy of formation: -0 kcal/mol + +Pm+3 + NO3- = PmNO3+2 + -llnl_gamma 4.5 + log_k 1.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmNO3+2 +# Enthalpy of formation: -0 kcal/mol + +Pm+3 + H2O = PmOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.9951 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmOH+2 +# Enthalpy of formation: -0 kcal/mol + +Pm+3 + HPO4-2 = PmPO4 + H+ + -llnl_gamma 3 + log_k -0.3718 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmPO4 +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Pm+3 = PmSO4+ + -llnl_gamma 4 + log_k 3.5 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmSO4+ +# Enthalpy of formation: -0 kcal/mol + +2 HAcetate + Pr+3 = Pr(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.8525 + -delta_H -23.8906 kJ/mol # Calculated enthalpy of reaction Pr(Acetate)2+ # Enthalpy of formation: -406.71 kcal/mol - -analytic -1.6464e+001 6.2989e-004 -4.4771e+002 3.6947e+000 3.3816e+005 + -analytic -1.6464e+1 6.2989e-4 -4.4771e+2 3.6947e+0 3.3816e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Pr+++ = Pr(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.2023 - -delta_H -40.3756 kJ/mol # Calculated enthalpy of reaction Pr(Acetate)3 +3 HAcetate + Pr+3 = Pr(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.2023 + -delta_H -40.3756 kJ/mol # Calculated enthalpy of reaction Pr(Acetate)3 # Enthalpy of formation: -526.75 kcal/mol - -analytic -1.2007e+001 4.9332e-004 0.0000e+000 0.0000e+000 3.2789e+005 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 Pr+++ = Pr(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -8.1076 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Pr+++ = Pr(HPO4)2- - -llnl_gamma 4.0 - log_k +8.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(HPO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Pr+++ = Pr(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -5.5637 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Pr+++ = Pr(SO4)2- - -llnl_gamma 4.0 - log_k +4.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pr+++ + 1.0000 HAcetate = PrAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.0451 - -delta_H -12.4683 kJ/mol # Calculated enthalpy of reaction PrAcetate+2 + -analytic -1.2007e+1 4.9332e-4 0e+0 0e+0 3.2789e+5 +# -Range: 0-300 + +2 HCO3- + Pr+3 = Pr(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -8.1076 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Pr+3 = Pr(HPO4)2- + -llnl_gamma 4 + log_k 8.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Pr+3 = Pr(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -5.5637 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Pr+3 = Pr(SO4)2- + -llnl_gamma 4 + log_k 4.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Pr+3 + HAcetate = PrAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.0451 + -delta_H -12.4683 kJ/mol # Calculated enthalpy of reaction PrAcetate+2 # Enthalpy of formation: -287.88 kcal/mol - -analytic -8.5624e+000 9.3878e-004 -5.7551e+002 2.2087e+000 2.4126e+005 + -analytic -8.5624e+0 9.3878e-4 -5.7551e+2 2.2087e+0 2.4126e+5 # -Range: 0-300 -1.0000 Pr+++ + 1.0000 HCO3- = PrCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.7722 - -delta_H 92.458 kJ/mol # Calculated enthalpy of reaction PrCO3+ +Pr+3 + HCO3- = PrCO3+ + H+ + -llnl_gamma 4 + log_k -2.7722 + -delta_H 92.458 kJ/mol # Calculated enthalpy of reaction PrCO3+ # Enthalpy of formation: -311.6 kcal/mol - -analytic 2.2079e+002 5.2156e-002 -6.5821e+003 -8.7701e+001 -1.0277e+002 + -analytic 2.2079e+2 5.2156e-2 -6.5821e+3 -8.7701e+1 -1.0277e+2 # -Range: 0-300 -1.0000 Pr+++ + 1.0000 Cl- = PrCl++ - -llnl_gamma 4.5 - log_k +0.3086 - -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction PrCl+2 +Pr+3 + Cl- = PrCl+2 + -llnl_gamma 4.5 + log_k 0.3086 + -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction PrCl+2 # Enthalpy of formation: -205.3 kcal/mol - -analytic 7.5152e+001 3.7446e-002 -1.6661e+003 -3.2490e+001 -2.6020e+001 + -analytic 7.5152e+1 3.7446e-2 -1.6661e+3 -3.249e+1 -2.602e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Pr+++ = PrCl2+ - -llnl_gamma 4.0 - log_k +0.0308 - -delta_H 20.3593 kJ/mol # Calculated enthalpy of reaction PrCl2+ +2 Cl- + Pr+3 = PrCl2+ + -llnl_gamma 4 + log_k 0.0308 + -delta_H 20.3593 kJ/mol # Calculated enthalpy of reaction PrCl2+ # Enthalpy of formation: -243.8 kcal/mol - -analytic 2.2848e+002 8.1250e-002 -6.0401e+003 -9.3909e+001 -9.4318e+001 + -analytic 2.2848e+2 8.125e-2 -6.0401e+3 -9.3909e+1 -9.4318e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Pr+++ = PrCl3 - -llnl_gamma 3.0 - log_k -0.3203 - -delta_H 14.2214 kJ/mol # Calculated enthalpy of reaction PrCl3 +3 Cl- + Pr+3 = PrCl3 + -llnl_gamma 3 + log_k -0.3203 + -delta_H 14.2214 kJ/mol # Calculated enthalpy of reaction PrCl3 # Enthalpy of formation: -285.2 kcal/mol - -analytic 4.5016e+002 1.3095e-001 -1.2588e+004 -1.8075e+002 -1.9656e+002 + -analytic 4.5016e+2 1.3095e-1 -1.2588e+4 -1.8075e+2 -1.9656e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Pr+++ = PrCl4- - -llnl_gamma 4.0 - log_k -0.7447 - -delta_H -4.05011 kJ/mol # Calculated enthalpy of reaction PrCl4- +4 Cl- + Pr+3 = PrCl4- + -llnl_gamma 4 + log_k -0.7447 + -delta_H -4.05011 kJ/mol # Calculated enthalpy of reaction PrCl4- # Enthalpy of formation: -329.5 kcal/mol - -analytic 5.4245e+002 1.3647e-001 -1.5564e+004 -2.1485e+002 -2.4302e+002 + -analytic 5.4245e+2 1.3647e-1 -1.5564e+4 -2.1485e+2 -2.4302e+2 # -Range: 0-300 -1.0000 Pr+++ + 1.0000 F- = PrF++ - -llnl_gamma 4.5 - log_k +4.2221 - -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction PrF+2 +Pr+3 + F- = PrF+2 + -llnl_gamma 4.5 + log_k 4.2221 + -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction PrF+2 # Enthalpy of formation: -243.4 kcal/mol - -analytic 9.5146e+001 4.1115e-002 -2.5463e+003 -3.8236e+001 -3.9760e+001 + -analytic 9.5146e+1 4.1115e-2 -2.5463e+3 -3.8236e+1 -3.976e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Pr+++ = PrF2+ - -llnl_gamma 4.0 - log_k +7.3447 - -delta_H 14.644 kJ/mol # Calculated enthalpy of reaction PrF2+ +2 F- + Pr+3 = PrF2+ + -llnl_gamma 4 + log_k 7.3447 + -delta_H 14.644 kJ/mol # Calculated enthalpy of reaction PrF2+ # Enthalpy of formation: -325.6 kcal/mol - -analytic 2.4997e+002 8.5251e-002 -6.1908e+003 -9.9912e+001 -9.6675e+001 + -analytic 2.4997e+2 8.5251e-2 -6.1908e+3 -9.9912e+1 -9.6675e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Pr+++ = PrF3 - -llnl_gamma 3.0 - log_k +9.6610 - -delta_H -6.4852 kJ/mol # Calculated enthalpy of reaction PrF3 +3 F- + Pr+3 = PrF3 + -llnl_gamma 3 + log_k 9.661 + -delta_H -6.4852 kJ/mol # Calculated enthalpy of reaction PrF3 # Enthalpy of formation: -410.8 kcal/mol - -analytic 4.7885e+002 1.3764e-001 -1.2080e+004 -1.8980e+002 -1.8864e+002 + -analytic 4.7885e+2 1.3764e-1 -1.208e+4 -1.898e+2 -1.8864e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Pr+++ = PrF4- - -llnl_gamma 4.0 - log_k +11.5375 - -delta_H -47.2792 kJ/mol # Calculated enthalpy of reaction PrF4- +4 F- + Pr+3 = PrF4- + -llnl_gamma 4 + log_k 11.5375 + -delta_H -47.2792 kJ/mol # Calculated enthalpy of reaction PrF4- # Enthalpy of formation: -500.7 kcal/mol - -analytic 5.5774e+002 1.4067e-001 -1.3523e+004 -2.1933e+002 -2.1118e+002 + -analytic 5.5774e+2 1.4067e-1 -1.3523e+4 -2.1933e+2 -2.1118e+2 # -Range: 0-300 -1.0000 Pr+++ + 1.0000 HPO4-- + 1.0000 H+ = PrH2PO4++ - -llnl_gamma 4.5 - log_k +9.5950 - -delta_H -16.2548 kJ/mol # Calculated enthalpy of reaction PrH2PO4+2 +Pr+3 + HPO4-2 + H+ = PrH2PO4+2 + -llnl_gamma 4.5 + log_k 9.595 + -delta_H -16.2548 kJ/mol # Calculated enthalpy of reaction PrH2PO4+2 # Enthalpy of formation: -481.5 kcal/mol - -analytic 1.0501e+002 6.3059e-002 3.8161e+002 -4.6656e+001 5.9234e+000 + -analytic 1.0501e+2 6.3059e-2 3.8161e+2 -4.6656e+1 5.9234e+0 # -Range: 0-300 -1.0000 Pr+++ + 1.0000 HCO3- = PrHCO3++ - -llnl_gamma 4.5 - log_k +1.9190 - -delta_H -12.9788 kJ/mol # Calculated enthalpy of reaction PrHCO3+2 +Pr+3 + HCO3- = PrHCO3+2 + -llnl_gamma 4.5 + log_k 1.919 + -delta_H -12.9788 kJ/mol # Calculated enthalpy of reaction PrHCO3+2 # Enthalpy of formation: -336.8 kcal/mol - -analytic 2.2010e+001 2.8541e-002 1.4574e+003 -1.3522e+001 2.2734e+001 + -analytic 2.201e+1 2.8541e-2 1.4574e+3 -1.3522e+1 2.2734e+1 # -Range: 0-300 -1.0000 Pr+++ + 1.0000 HPO4-- = PrHPO4+ - -llnl_gamma 4.0 - log_k +5.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PrHPO4+ +Pr+3 + HPO4-2 = PrHPO4+ + -llnl_gamma 4 + log_k 5.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction PrHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Pr+++ + 1.0000 NO3- = PrNO3++ - -llnl_gamma 4.5 - log_k +0.6546 - -delta_H -27.9115 kJ/mol # Calculated enthalpy of reaction PrNO3+2 + +Pr+3 + NO3- = PrNO3+2 + -llnl_gamma 4.5 + log_k 0.6546 + -delta_H -27.9115 kJ/mol # Calculated enthalpy of reaction PrNO3+2 # Enthalpy of formation: -224.9 kcal/mol - -analytic 1.4297e+001 2.5214e-002 2.1756e+003 -1.1490e+001 3.3943e+001 + -analytic 1.4297e+1 2.5214e-2 2.1756e+3 -1.149e+1 3.3943e+1 # -Range: 0-300 -1.0000 Pr+++ + 1.0000 H2O = PrO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -17.29 - -delta_H 117.642 kJ/mol # Calculated enthalpy of reaction PrO+ +Pr+3 + H2O = PrO+ + 2 H+ + -llnl_gamma 4 + log_k -17.29 + -delta_H 117.642 kJ/mol # Calculated enthalpy of reaction PrO+ # Enthalpy of formation: -209 kcal/mol - -analytic 1.7927e+002 2.9467e-002 -1.3815e+004 -6.4259e+001 -2.1562e+002 + -analytic 1.7927e+2 2.9467e-2 -1.3815e+4 -6.4259e+1 -2.1562e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Pr+++ = PrO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -37.5852 - -delta_H 301.39 kJ/mol # Calculated enthalpy of reaction PrO2- +2 H2O + Pr+3 = PrO2- + 4 H+ + -llnl_gamma 4 + log_k -37.5852 + -delta_H 301.39 kJ/mol # Calculated enthalpy of reaction PrO2- # Enthalpy of formation: -233.4 kcal/mol - -analytic -4.4480e+001 -1.6327e-002 -7.9031e+003 1.9348e+001 -8.5440e+005 + -analytic -4.448e+1 -1.6327e-2 -7.9031e+3 1.9348e+1 -8.544e+5 # -Range: 0-300 -2.0000 H2O + 1.0000 Pr+++ = PrO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -26.5901 - -delta_H 231.517 kJ/mol # Calculated enthalpy of reaction PrO2H +2 H2O + Pr+3 = PrO2H + 3 H+ + -llnl_gamma 3 + log_k -26.5901 + -delta_H 231.517 kJ/mol # Calculated enthalpy of reaction PrO2H # Enthalpy of formation: -250.1 kcal/mol - -analytic 3.3930e+002 4.4894e-002 -2.3769e+004 -1.2106e+002 -3.7099e+002 + -analytic 3.393e+2 4.4894e-2 -2.3769e+4 -1.2106e+2 -3.7099e+2 # -Range: 0-300 -1.0000 Pr+++ + 1.0000 H2O = PrOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -8.274 - -delta_H 81.2407 kJ/mol # Calculated enthalpy of reaction PrOH+2 +Pr+3 + H2O = PrOH+2 + H+ + -llnl_gamma 4.5 + log_k -8.274 + -delta_H 81.2407 kJ/mol # Calculated enthalpy of reaction PrOH+2 # Enthalpy of formation: -217.7 kcal/mol - -analytic 5.6599e+001 1.1073e-002 -5.9197e+003 -1.9525e+001 -9.2388e+001 + -analytic 5.6599e+1 1.1073e-2 -5.9197e+3 -1.9525e+1 -9.2388e+1 # -Range: 0-300 -1.0000 Pr+++ + 1.0000 HPO4-- = PrPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k -0.7218 - -delta_H 0 # Not possible to calculate enthalpy of reaction PrPO4 +Pr+3 + HPO4-2 = PrPO4 + H+ + -llnl_gamma 3 + log_k -0.7218 + -delta_H 0 # Not possible to calculate enthalpy of reaction PrPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Pr+++ = PrSO4+ - -llnl_gamma 4.0 - log_k -3.687 - -delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction PrSO4+ + +SO4-2 + Pr+3 = PrSO4+ + -llnl_gamma 4 + log_k -3.687 + -delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction PrSO4+ # Enthalpy of formation: -381.5 kcal/mol - -analytic 2.9156e+002 8.4671e-002 -1.0638e+004 -1.1509e+002 -1.6608e+002 + -analytic 2.9156e+2 8.4671e-2 -1.0638e+4 -1.1509e+2 -1.6608e+2 # -Range: 0-300 -2.0000 HPO4-- + 1.0000 Pu++++ = Pu(HPO4)2 - -llnl_gamma 3.0 - log_k +23.8483 - -delta_H 25.9279 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)2 +2 HPO4-2 + Pu+4 = Pu(HPO4)2 + -llnl_gamma 3 + log_k 23.8483 + -delta_H 25.9279 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)2 # Enthalpy of formation: -3094.13 kJ/mol - -analytic 9.2387e+002 3.2577e-001 -2.0881e+004 -3.7466e+002 -3.5492e+002 + -analytic 9.2387e+2 3.2577e-1 -2.0881e+4 -3.7466e+2 -3.5492e+2 # -Range: 0-200 -3.0000 HPO4-- + 1.0000 Pu++++ = Pu(HPO4)3-- - -llnl_gamma 4.0 - log_k +33.4599 - -delta_H -6.49412 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)3-2 +3 HPO4-2 + Pu+4 = Pu(HPO4)3-2 + -llnl_gamma 4 + log_k 33.4599 + -delta_H -6.49412 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)3-2 # Enthalpy of formation: -4418.63 kJ/mol - -analytic 6.4515e+002 2.3011e-001 -1.2752e+004 -2.5761e+002 -1.9917e+002 + -analytic 6.4515e+2 2.3011e-1 -1.2752e+4 -2.5761e+2 -1.9917e+2 # -Range: 0-300 -4.0000 HPO4-- + 1.0000 Pu++++ = Pu(HPO4)4---- - -llnl_gamma 4.0 - log_k +43.2467 - -delta_H -77.4832 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)4-4 +4 HPO4-2 + Pu+4 = Pu(HPO4)4-4 + -llnl_gamma 4 + log_k 43.2467 + -delta_H -77.4832 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)4-4 # Enthalpy of formation: -5781.7 kJ/mol - -analytic 8.5301e+002 3.0730e-001 -1.3644e+004 -3.4573e+002 -2.1316e+002 + -analytic 8.5301e+2 3.073e-1 -1.3644e+4 -3.4573e+2 -2.1316e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Pu++++ = Pu(OH)2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k -2.3235 - -delta_H 74.3477 kJ/mol # Calculated enthalpy of reaction Pu(OH)2+2 +2 H2O + Pu+4 = Pu(OH)2+2 + 2 H+ + -llnl_gamma 4.5 + log_k -2.3235 + -delta_H 74.3477 kJ/mol # Calculated enthalpy of reaction Pu(OH)2+2 # Enthalpy of formation: -1033.22 kJ/mol - -analytic 7.5979e+001 6.8394e-003 -6.3710e+003 -2.3833e+001 -9.9435e+001 + -analytic 7.5979e+1 6.8394e-3 -6.371e+3 -2.3833e+1 -9.9435e+1 # -Range: 0-300 -3.0000 H2O + 1.0000 Pu++++ = Pu(OH)3+ +3.0000 H+ - -llnl_gamma 4.0 - log_k -5.281 - -delta_H 96.578 kJ/mol # Calculated enthalpy of reaction Pu(OH)3+ +3 H2O + Pu+4 = Pu(OH)3+ + 3 H+ + -llnl_gamma 4 + log_k -5.281 + -delta_H 96.578 kJ/mol # Calculated enthalpy of reaction Pu(OH)3+ # Enthalpy of formation: -1296.83 kJ/mol - -analytic 1.0874e+002 1.4199e-002 -8.4954e+003 -3.6278e+001 -1.3259e+002 + -analytic 1.0874e+2 1.4199e-2 -8.4954e+3 -3.6278e+1 -1.3259e+2 # -Range: 0-300 -4.0000 H2O + 1.0000 Pu++++ = Pu(OH)4 +4.0000 H+ - -llnl_gamma 3.0 - log_k -9.5174 - -delta_H 109.113 kJ/mol # Calculated enthalpy of reaction Pu(OH)4 +4 H2O + Pu+4 = Pu(OH)4 + 4 H+ + -llnl_gamma 3 + log_k -9.5174 + -delta_H 109.113 kJ/mol # Calculated enthalpy of reaction Pu(OH)4 # Enthalpy of formation: -1570.13 kJ/mol - -analytic 2.7913e+002 1.0252e-001 -1.1289e+004 -1.1369e+002 -1.9181e+002 + -analytic 2.7913e+2 1.0252e-1 -1.1289e+4 -1.1369e+2 -1.9181e+2 # -Range: 0-200 -2.0000 SO4-- + 1.0000 Pu++++ = Pu(SO4)2 - -llnl_gamma 3.0 - log_k +10.2456 - -delta_H 41.0122 kJ/mol # Calculated enthalpy of reaction Pu(SO4)2 +2 SO4-2 + Pu+4 = Pu(SO4)2 + -llnl_gamma 3 + log_k 10.2456 + -delta_H 41.0122 kJ/mol # Calculated enthalpy of reaction Pu(SO4)2 # Enthalpy of formation: -2314.08 kJ/mol - -analytic 5.3705e+002 1.9308e-001 -1.3213e+004 -2.1824e+002 -2.2457e+002 -# -Range: 0-200 - -2.0000 SO4-- + 1.0000 Pu+++ = Pu(SO4)2- - -llnl_gamma 4.0 - log_k +6.3200 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pu(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pu++++ + 1.0000 F- = PuF+++ - -llnl_gamma 5.0 - log_k +8.4600 - -delta_H 0 # Not possible to calculate enthalpy of reaction PuF+3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 F- + 1.0000 Pu++++ = PuF2++ - -llnl_gamma 4.5 - log_k +15.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PuF2+2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 F- + 1.0000 Pu++++ = PuF3+ - -llnl_gamma 4.0 - log_k +5.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PuF3+ -# Enthalpy of formation: -0 kcal/mol - -4.0000 F- + 1.0000 Pu++++ = PuF4 - -llnl_gamma 3.0 - log_k +4.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PuF4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Pu+++ + 1.0000 HPO4-- + 1.0000 H+ = PuH2PO4++ - -llnl_gamma 4.5 - log_k +9.6817 - -delta_H 28.597 kJ/mol # Calculated enthalpy of reaction PuH2PO4+2 + -analytic 5.3705e+2 1.9308e-1 -1.3213e+4 -2.1824e+2 -2.2457e+2 +# -Range: 0-200 + +2 SO4-2 + Pu+3 = Pu(SO4)2- + -llnl_gamma 4 + log_k 6.32 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pu(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Pu+4 + F- = PuF+3 + -llnl_gamma 5 + log_k 8.46 + -delta_H 0 # Not possible to calculate enthalpy of reaction PuF+3 +# Enthalpy of formation: -0 kcal/mol + +2 F- + Pu+4 = PuF2+2 + -llnl_gamma 4.5 + log_k 15.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction PuF2+2 +# Enthalpy of formation: -0 kcal/mol + +3 F- + Pu+4 = PuF3+ + -llnl_gamma 4 + log_k 5.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction PuF3+ +# Enthalpy of formation: -0 kcal/mol + +4 F- + Pu+4 = PuF4 + -llnl_gamma 3 + log_k 4.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction PuF4 +# Enthalpy of formation: -0 kcal/mol + +Pu+3 + HPO4-2 + H+ = PuH2PO4+2 + -llnl_gamma 4.5 + log_k 9.6817 + -delta_H 28.597 kJ/mol # Calculated enthalpy of reaction PuH2PO4+2 # Enthalpy of formation: -1855.04 kJ/mol - -analytic 2.1595e+002 6.4502e-002 -6.4723e+003 -8.2341e+001 -1.0106e+002 + -analytic 2.1595e+2 6.4502e-2 -6.4723e+3 -8.2341e+1 -1.0106e+2 # -Range: 0-300 -1.0000 Pu++++ + 1.0000 HPO4-- = PuHPO4++ - -llnl_gamma 4.5 - log_k +13.0103 - -delta_H 40.306 kJ/mol # Calculated enthalpy of reaction PuHPO4+2 +Pu+4 + HPO4-2 = PuHPO4+2 + -llnl_gamma 4.5 + log_k 13.0103 + -delta_H 40.306 kJ/mol # Calculated enthalpy of reaction PuHPO4+2 # Enthalpy of formation: -1787.67 kJ/mol - -analytic 2.2662e+002 7.1073e-002 -6.9134e+003 -8.5504e+001 -1.0794e+002 + -analytic 2.2662e+2 7.1073e-2 -6.9134e+3 -8.5504e+1 -1.0794e+2 # -Range: 0-300 -2.0000 HCO3- + 1.0000 PuO2++ = PuO2(CO3)2-- +2.0000 H+ - -llnl_gamma 4.0 - log_k -5.7428 - -delta_H 52.3345 kJ/mol # Calculated enthalpy of reaction PuO2(CO3)2-2 +2 HCO3- + PuO2+2 = PuO2(CO3)2-2 + 2 H+ + -llnl_gamma 4 + log_k -5.7428 + -delta_H 52.3345 kJ/mol # Calculated enthalpy of reaction PuO2(CO3)2-2 # Enthalpy of formation: -2149.11 kJ/mol - -analytic 2.6589e+002 7.6132e-002 -9.7187e+003 -1.0577e+002 -1.5173e+002 + -analytic 2.6589e+2 7.6132e-2 -9.7187e+3 -1.0577e+2 -1.5173e+2 # -Range: 0-300 -1.0000 PuO2++ + 1.0000 Cl- = PuO2Cl+ - -llnl_gamma 4.0 - log_k -0.2084 - -delta_H 11.6127 kJ/mol # Calculated enthalpy of reaction PuO2Cl+ +PuO2+2 + Cl- = PuO2Cl+ + -llnl_gamma 4 + log_k -0.2084 + -delta_H 11.6127 kJ/mol # Calculated enthalpy of reaction PuO2Cl+ # Enthalpy of formation: -977.045 kJ/mol - -analytic 9.8385e+001 3.8617e-002 -2.5210e+003 -4.1075e+001 -3.9367e+001 + -analytic 9.8385e+1 3.8617e-2 -2.521e+3 -4.1075e+1 -3.9367e+1 # -Range: 0-300 -1.0000 PuO2++ + 1.0000 F- = PuO2F+ - -llnl_gamma 4.0 - log_k +5.6674 - -delta_H -5.2094 kJ/mol # Calculated enthalpy of reaction PuO2F+ +PuO2+2 + F- = PuO2F+ + -llnl_gamma 4 + log_k 5.6674 + -delta_H -5.2094 kJ/mol # Calculated enthalpy of reaction PuO2F+ # Enthalpy of formation: -1162.13 kJ/mol - -analytic 1.1412e+002 4.1224e-002 -2.0503e+003 -4.6009e+001 -3.2027e+001 + -analytic 1.1412e+2 4.1224e-2 -2.0503e+3 -4.6009e+1 -3.2027e+1 # -Range: 0-300 -2.0000 F- + 1.0000 PuO2++ = PuO2F2 - -llnl_gamma 3.0 - log_k +10.9669 - -delta_H -15.4738 kJ/mol # Calculated enthalpy of reaction PuO2F2 +2 F- + PuO2+2 = PuO2F2 + -llnl_gamma 3 + log_k 10.9669 + -delta_H -15.4738 kJ/mol # Calculated enthalpy of reaction PuO2F2 # Enthalpy of formation: -1507.75 kJ/mol - -analytic 2.5502e+002 9.1597e-002 -4.4557e+003 -1.0362e+002 -7.5752e+001 + -analytic 2.5502e+2 9.1597e-2 -4.4557e+3 -1.0362e+2 -7.5752e+1 # -Range: 0-200 -3.0000 F- + 1.0000 PuO2++ = PuO2F3- - -llnl_gamma 4.0 - log_k +15.9160 - -delta_H -29.4032 kJ/mol # Calculated enthalpy of reaction PuO2F3- +3 F- + PuO2+2 = PuO2F3- + -llnl_gamma 4 + log_k 15.916 + -delta_H -29.4032 kJ/mol # Calculated enthalpy of reaction PuO2F3- # Enthalpy of formation: -1857.02 kJ/mol - -analytic 3.6102e+002 8.6364e-002 -8.7129e+003 -1.3805e+002 -1.3606e+002 + -analytic 3.6102e+2 8.6364e-2 -8.7129e+3 -1.3805e+2 -1.3606e+2 # -Range: 0-300 -4.0000 F- + 1.0000 PuO2++ = PuO2F4-- - -llnl_gamma 4.0 - log_k +18.7628 - -delta_H -39.9786 kJ/mol # Calculated enthalpy of reaction PuO2F4-2 +4 F- + PuO2+2 = PuO2F4-2 + -llnl_gamma 4 + log_k 18.7628 + -delta_H -39.9786 kJ/mol # Calculated enthalpy of reaction PuO2F4-2 # Enthalpy of formation: -2202.95 kJ/mol - -analytic 4.6913e+002 1.3649e-001 -9.8336e+003 -1.8510e+002 -1.5358e+002 + -analytic 4.6913e+2 1.3649e-1 -9.8336e+3 -1.851e+2 -1.5358e+2 # -Range: 0-300 -1.0000 PuO2++ + 1.0000 HPO4-- + 1.0000 H+ = PuO2H2PO4+ - -llnl_gamma 4.0 - log_k +11.2059 - -delta_H -6.63904 kJ/mol # Calculated enthalpy of reaction PuO2H2PO4+ +PuO2+2 + HPO4-2 + H+ = PuO2H2PO4+ + -llnl_gamma 4 + log_k 11.2059 + -delta_H -6.63904 kJ/mol # Calculated enthalpy of reaction PuO2H2PO4+ # Enthalpy of formation: -2120.3 kJ/mol - -analytic 2.1053e+002 6.8671e-002 -4.3390e+003 -8.2930e+001 -6.7768e+001 + -analytic 2.1053e+2 6.8671e-2 -4.339e+3 -8.293e+1 -6.7768e+1 # -Range: 0-300 -1.0000 PuO2+ + 1.0000 H2O = PuO2OH +1.0000 H+ - -llnl_gamma 3.0 - log_k -9.6674 - -delta_H 69.1763 kJ/mol # Calculated enthalpy of reaction PuO2OH +PuO2+ + H2O = PuO2OH + H+ + -llnl_gamma 3 + log_k -9.6674 + -delta_H 69.1763 kJ/mol # Calculated enthalpy of reaction PuO2OH # Enthalpy of formation: -1130.85 kJ/mol - -analytic 7.1080e+001 2.6141e-002 -5.0337e+003 -2.8956e+001 -8.5504e+001 + -analytic 7.108e+1 2.6141e-2 -5.0337e+3 -2.8956e+1 -8.5504e+1 # -Range: 0-200 -1.0000 PuO2++ + 1.0000 H2O = PuO2OH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -5.6379 - -delta_H 45.2823 kJ/mol # Calculated enthalpy of reaction PuO2OH+ +PuO2+2 + H2O = PuO2OH+ + H+ + -llnl_gamma 4 + log_k -5.6379 + -delta_H 45.2823 kJ/mol # Calculated enthalpy of reaction PuO2OH+ # Enthalpy of formation: -1062.13 kJ/mol - -analytic -3.9012e+000 1.1645e-003 -1.1299e+003 1.3419e+000 -1.4364e+005 + -analytic -3.9012e+0 1.1645e-3 -1.1299e+3 1.3419e+0 -1.4364e+5 # -Range: 0-300 -1.0000 SO4-- + 1.0000 PuO2++ = PuO2SO4 - -llnl_gamma 3.0 - log_k +3.2658 - -delta_H 20.0746 kJ/mol # Calculated enthalpy of reaction PuO2SO4 +SO4-2 + PuO2+2 = PuO2SO4 + -llnl_gamma 3 + log_k 3.2658 + -delta_H 20.0746 kJ/mol # Calculated enthalpy of reaction PuO2SO4 # Enthalpy of formation: -1711.11 kJ/mol - -analytic 2.0363e+002 7.3903e-002 -5.1940e+003 -8.2833e+001 -8.8273e+001 + -analytic 2.0363e+2 7.3903e-2 -5.194e+3 -8.2833e+1 -8.8273e+1 # -Range: 0-200 -1.0000 Pu+++ + 1.0000 H2O = PuOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.968 - -delta_H 53.5143 kJ/mol # Calculated enthalpy of reaction PuOH+2 +Pu+3 + H2O = PuOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.968 + -delta_H 53.5143 kJ/mol # Calculated enthalpy of reaction PuOH+2 # Enthalpy of formation: -823.876 kJ/mol - -analytic 3.0065e+000 3.0278e-003 -1.9675e+003 -1.6100e+000 -1.1524e+005 + -analytic 3.0065e+0 3.0278e-3 -1.9675e+3 -1.61e+0 -1.1524e+5 # -Range: 0-300 -1.0000 Pu++++ + 1.0000 H2O = PuOH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -0.5048 - -delta_H 48.1823 kJ/mol # Calculated enthalpy of reaction PuOH+3 +Pu+4 + H2O = PuOH+3 + H+ + -llnl_gamma 5 + log_k -0.5048 + -delta_H 48.1823 kJ/mol # Calculated enthalpy of reaction PuOH+3 # Enthalpy of formation: -773.549 kJ/mol - -analytic 4.1056e+001 1.1119e-003 -3.9252e+003 -1.1609e+001 -6.1260e+001 + -analytic 4.1056e+1 1.1119e-3 -3.9252e+3 -1.1609e+1 -6.126e+1 # -Range: 0-300 -1.0000 SO4-- + 1.0000 Pu+++ = PuSO4+ - -llnl_gamma 4.0 - log_k +3.4935 - -delta_H 14.6006 kJ/mol # Calculated enthalpy of reaction PuSO4+ +SO4-2 + Pu+3 = PuSO4+ + -llnl_gamma 4 + log_k 3.4935 + -delta_H 14.6006 kJ/mol # Calculated enthalpy of reaction PuSO4+ # Enthalpy of formation: -1486.55 kJ/mol - -analytic 1.9194e+002 7.7154e-002 -4.2751e+003 -7.9646e+001 -6.6765e+001 + -analytic 1.9194e+2 7.7154e-2 -4.2751e+3 -7.9646e+1 -6.6765e+1 # -Range: 0-300 -1.0000 SO4-- + 1.0000 Pu++++ = PuSO4++ - -llnl_gamma 4.5 - log_k +5.7710 - -delta_H 12.3336 kJ/mol # Calculated enthalpy of reaction PuSO4+2 +SO4-2 + Pu+4 = PuSO4+2 + -llnl_gamma 4.5 + log_k 5.771 + -delta_H 12.3336 kJ/mol # Calculated enthalpy of reaction PuSO4+2 # Enthalpy of formation: -1433.16 kJ/mol - -analytic 1.9418e+002 7.5477e-002 -4.2767e+003 -7.9425e+001 -6.6792e+001 + -analytic 1.9418e+2 7.5477e-2 -4.2767e+3 -7.9425e+1 -6.6792e+1 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Ra++ = Ra(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -7.9018 - -delta_H 21.0874 kJ/mol # Calculated enthalpy of reaction Ra(Acetate)2 +2 HAcetate + Ra+2 = Ra(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -7.9018 + -delta_H 21.0874 kJ/mol # Calculated enthalpy of reaction Ra(Acetate)2 # Enthalpy of formation: -353.26 kcal/mol - -analytic 2.2767e+001 3.1254e-003 -6.4558e+003 -7.2253e+000 7.0689e+005 + -analytic 2.2767e+1 3.1254e-3 -6.4558e+3 -7.2253e+0 7.0689e+5 # -Range: 0-300 -1.0000 Ra++ + 1.0000 HAcetate = RaAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.709 - -delta_H 11.7989 kJ/mol # Calculated enthalpy of reaction RaAcetate+ +Ra+2 + HAcetate = RaAcetate+ + H+ + -llnl_gamma 4 + log_k -3.709 + -delta_H 11.7989 kJ/mol # Calculated enthalpy of reaction RaAcetate+ # Enthalpy of formation: -239.38 kcal/mol - -analytic -1.8268e+001 2.9956e-003 1.9313e+001 5.2767e+000 4.9771e+004 + -analytic -1.8268e+1 2.9956e-3 1.9313e+1 5.2767e+0 4.9771e+4 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Rb+ = Rb(Acetate)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -9.7636 - -delta_H -1.12968 kJ/mol # Calculated enthalpy of reaction Rb(Acetate)2- +2 HAcetate + Rb+ = Rb(Acetate)2- + 2 H+ + -llnl_gamma 4 + log_k -9.7636 + -delta_H -1.12968 kJ/mol # Calculated enthalpy of reaction Rb(Acetate)2- # Enthalpy of formation: -292.49 kcal/mol - -analytic -1.9198e+002 -4.2101e-002 5.5792e+003 7.1152e+001 8.7114e+001 + -analytic -1.9198e+2 -4.2101e-2 5.5792e+3 7.1152e+1 8.7114e+1 # -Range: 0-300 -1.0000 Rb+ + 1.0000 Br- = RbBr - -llnl_gamma 3.0 - log_k -1.2168 - -delta_H 13.9327 kJ/mol # Calculated enthalpy of reaction RbBr +Rb+ + Br- = RbBr + -llnl_gamma 3 + log_k -1.2168 + -delta_H 13.9327 kJ/mol # Calculated enthalpy of reaction RbBr # Enthalpy of formation: -85.73 kcal/mol - -analytic 1.2054e+002 3.3825e-002 -3.9500e+003 -4.7920e+001 -6.1671e+001 + -analytic 1.2054e+2 3.3825e-2 -3.95e+3 -4.792e+1 -6.1671e+1 # -Range: 0-300 -1.0000 Rb+ + 1.0000 HAcetate = RbAcetate +1.0000 H+ - -llnl_gamma 3.0 - log_k -4.7279 - -delta_H 4.89528 kJ/mol # Calculated enthalpy of reaction RbAcetate +Rb+ + HAcetate = RbAcetate + H+ + -llnl_gamma 3 + log_k -4.7279 + -delta_H 4.89528 kJ/mol # Calculated enthalpy of reaction RbAcetate # Enthalpy of formation: -174.95 kcal/mol - -analytic 1.5661e+001 -2.4230e-003 -2.5280e+003 -5.4433e+000 2.0344e+005 + -analytic 1.5661e+1 -2.423e-3 -2.528e+3 -5.4433e+0 2.0344e+5 # -Range: 0-300 -1.0000 Rb+ + 1.0000 Cl- = RbCl - -llnl_gamma 3.0 - log_k -0.9595 - -delta_H 13.1922 kJ/mol # Calculated enthalpy of reaction RbCl +Rb+ + Cl- = RbCl + -llnl_gamma 3 + log_k -0.9595 + -delta_H 13.1922 kJ/mol # Calculated enthalpy of reaction RbCl # Enthalpy of formation: -96.8 kcal/mol - -analytic 1.2689e+002 3.5557e-002 -4.0822e+003 -5.0412e+001 -6.3736e+001 + -analytic 1.2689e+2 3.5557e-2 -4.0822e+3 -5.0412e+1 -6.3736e+1 # -Range: 0-300 -1.0000 Rb+ + 1.0000 F- = RbF - -llnl_gamma 3.0 - log_k +0.9602 - -delta_H 1.92464 kJ/mol # Calculated enthalpy of reaction RbF +Rb+ + F- = RbF + -llnl_gamma 3 + log_k 0.9602 + -delta_H 1.92464 kJ/mol # Calculated enthalpy of reaction RbF # Enthalpy of formation: -139.71 kcal/mol - -analytic 1.3893e+002 3.8188e-002 -3.8677e+003 -5.5109e+001 -6.0393e+001 + -analytic 1.3893e+2 3.8188e-2 -3.8677e+3 -5.5109e+1 -6.0393e+1 # -Range: 0-300 -1.0000 Rb+ + 1.0000 I- = RbI - -llnl_gamma 3.0 - log_k -0.8136 - -delta_H 7.1128 kJ/mol # Calculated enthalpy of reaction RbI +Rb+ + I- = RbI + -llnl_gamma 3 + log_k -0.8136 + -delta_H 7.1128 kJ/mol # Calculated enthalpy of reaction RbI # Enthalpy of formation: -71.92 kcal/mol - -analytic 1.1486e+002 3.3121e-002 -3.4217e+003 -4.6096e+001 -5.3426e+001 -# -Range: 0-300 - -2.0000 Cl- + 1.0000 Ru+++ = Ru(Cl)2+ - -llnl_gamma 4.0 - log_k +3.7527 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(Cl)2+ -# Enthalpy of formation: -0 kcal/mol - -3.0000 Cl- + 1.0000 Ru+++ = Ru(Cl)3 - -llnl_gamma 3.0 - log_k +4.2976 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(Cl)3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Ru+++ = Ru(OH)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.5148 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Ru(OH)2++ + 1.0000 Cl- = Ru(OH)2Cl+ - -llnl_gamma 4.0 - log_k +1.3858 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 Cl- + 1.0000 Ru(OH)2++ = Ru(OH)2Cl2 - -llnl_gamma 3.0 - log_k +1.8081 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 Cl- + 1.0000 Ru(OH)2++ = Ru(OH)2Cl3- - -llnl_gamma 4.0 - log_k +1.6172 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 Cl- + 1.0000 Ru(OH)2++ = Ru(OH)2Cl4-- - -llnl_gamma 4.0 - log_k +2.7052 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl4-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Ru(OH)2++ = Ru(OH)2SO4 - -llnl_gamma 3.0 - log_k +1.7941 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2SO4 -# Enthalpy of formation: -0 kcal/mol - + -analytic 1.1486e+2 3.3121e-2 -3.4217e+3 -4.6096e+1 -5.3426e+1 +# -Range: 0-300 + +2 Cl- + Ru+3 = Ru(Cl)2+ + -llnl_gamma 4 + log_k 3.7527 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(Cl)2+ +# Enthalpy of formation: -0 kcal/mol + +3 Cl- + Ru+3 = Ru(Cl)3 + -llnl_gamma 3 + log_k 4.2976 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(Cl)3 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Ru+3 = Ru(OH)2+ + 2 H+ + -llnl_gamma 4 + log_k -3.5148 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2+ +# Enthalpy of formation: -0 kcal/mol + +Ru(OH)2+2 + Cl- = Ru(OH)2Cl+ + -llnl_gamma 4 + log_k 1.3858 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl+ +# Enthalpy of formation: -0 kcal/mol + +2 Cl- + Ru(OH)2+2 = Ru(OH)2Cl2 + -llnl_gamma 3 + log_k 1.8081 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl2 +# Enthalpy of formation: -0 kcal/mol + +3 Cl- + Ru(OH)2+2 = Ru(OH)2Cl3- + -llnl_gamma 4 + log_k 1.6172 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl3- +# Enthalpy of formation: -0 kcal/mol + +4 Cl- + Ru(OH)2+2 = Ru(OH)2Cl4-2 + -llnl_gamma 4 + log_k 2.7052 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2Cl4-2 +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Ru(OH)2+2 = Ru(OH)2SO4 + -llnl_gamma 3 + log_k 1.7941 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)2SO4 +# Enthalpy of formation: -0 kcal/mol + #3.0000 H2O + 1.0000 Ru++ + 0.5000 O2 = Ru(OH)4 +2.0000 H+ # Ru(OH)2++ +1.0000 H2O +0.5000 O2 = 4.0000 H+ + 1.0000 RuO4-- log_k -25.2470 # 4.0000 H+ + 1.0000 RuO4-- = Ru++ +2.0000 H2O +1.0000 O2 log_k +0.1610 #1 + 2 + 3 -2H2O + Ru(OH)2++ = Ru(OH)4 + 2H+ - -llnl_gamma 3.0 +2 H2O + Ru(OH)2+2 = Ru(OH)4 + 2 H+ + -llnl_gamma 3 # log_k +18.0322 - log_k -7.0538 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)4 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Ru+++ = Ru(SO4)2- - -llnl_gamma 4.0 - log_k +3.0627 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -4.0000 Ru(OH)2++ + 4.0000 H2O = Ru4(OH)12++++ +4.0000 H+ - -llnl_gamma 5.5 - log_k +7.1960 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru4(OH)12+4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Ru++ + 1.0000 Cl- = RuCl+ - -llnl_gamma 4.0 - log_k -0.4887 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Ru+++ + 1.0000 Cl- = RuCl++ - -llnl_gamma 4.5 - log_k +2.1742 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl+2 -# Enthalpy of formation: -0 kcal/mol - -4.0000 Cl- + 1.0000 Ru+++ = RuCl4- - -llnl_gamma 4.0 - log_k +4.1418 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl4- -# Enthalpy of formation: -0 kcal/mol - -5.0000 Cl- + 1.0000 Ru+++ = RuCl5-- - -llnl_gamma 4.0 - log_k +3.8457 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl5-2 -# Enthalpy of formation: -0 kcal/mol - -6.0000 Cl- + 1.0000 Ru+++ = RuCl6--- - -llnl_gamma 4.0 - log_k +3.4446 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl6-3 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Ru+++ + 1.0000 H2O = RuOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.2392 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuOH+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Ru++ = RuSO4 - -llnl_gamma 3.0 - log_k +2.3547 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuSO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 SO4-- + 1.0000 Ru+++ = RuSO4+ - -llnl_gamma 4.0 - log_k +1.9518 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuSO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 HS- = S-- +1.0000 H+ - -llnl_gamma 5.0 - log_k -12.9351 - -delta_H 49.0364 kJ/mol # Calculated enthalpy of reaction S-2 + log_k -7.0538 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)4 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Ru+3 = Ru(SO4)2- + -llnl_gamma 4 + log_k 3.0627 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +4 Ru(OH)2+2 + 4 H2O = Ru4(OH)12+4 + 4 H+ + -llnl_gamma 5.5 + log_k 7.196 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru4(OH)12+4 +# Enthalpy of formation: -0 kcal/mol + +Ru+2 + Cl- = RuCl+ + -llnl_gamma 4 + log_k -0.4887 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl+ +# Enthalpy of formation: -0 kcal/mol + +Ru+3 + Cl- = RuCl+2 + -llnl_gamma 4.5 + log_k 2.1742 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl+2 +# Enthalpy of formation: -0 kcal/mol + +4 Cl- + Ru+3 = RuCl4- + -llnl_gamma 4 + log_k 4.1418 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl4- +# Enthalpy of formation: -0 kcal/mol + +5 Cl- + Ru+3 = RuCl5-2 + -llnl_gamma 4 + log_k 3.8457 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl5-2 +# Enthalpy of formation: -0 kcal/mol + +6 Cl- + Ru+3 = RuCl6-3 + -llnl_gamma 4 + log_k 3.4446 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl6-3 +# Enthalpy of formation: -0 kcal/mol + +Ru+3 + H2O = RuOH+2 + H+ + -llnl_gamma 4.5 + log_k -2.2392 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuOH+2 +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Ru+2 = RuSO4 + -llnl_gamma 3 + log_k 2.3547 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuSO4 +# Enthalpy of formation: -0 kcal/mol + +SO4-2 + Ru+3 = RuSO4+ + -llnl_gamma 4 + log_k 1.9518 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuSO4+ +# Enthalpy of formation: -0 kcal/mol + +HS- = S-2 + H+ + -llnl_gamma 5 + log_k -12.9351 + -delta_H 49.0364 kJ/mol # Calculated enthalpy of reaction S-2 # Enthalpy of formation: 32.928 kJ/mol - -analytic 9.7756e+001 3.2913e-002 -5.0784e+003 -4.1812e+001 -7.9273e+001 + -analytic 9.7756e+1 3.2913e-2 -5.0784e+3 -4.1812e+1 -7.9273e+1 # -Range: 0-300 -2.0000 H+ + 2.0000 SO3-- = S2O5-- + H2O - -llnl_gamma 4.0 - log_k 9.5934 - -delta_H 0 # Not possible to calculate enthalpy of reaction S2O5-2 +2 H+ + 2 SO3-2 = S2O5-2 + H2O + -llnl_gamma 4 + log_k 9.5934 + -delta_H 0 # Not possible to calculate enthalpy of reaction S2O5-2 # Enthalpy of formation: -0 kcal/mol - -analytic 0.12262E+03 0.62883E-01 -0.18005E+04 -0.50798E+02 -0.28132E+02 + -analytic 0.12262E+3 0.62883E-1 -0.18005E+4 -0.50798E+2 -0.28132E+2 # -Range: 0-300 -2.0000 H+ + 1.0000 SO3-- = SO2 +1.0000 H2O - -llnl_gamma 3.0 - log_k +9.0656 - -delta_H 26.7316 kJ/mol # Calculated enthalpy of reaction SO2 +2 H+ + SO3-2 = SO2 + H2O + -llnl_gamma 3 + log_k 9.0656 + -delta_H 26.7316 kJ/mol # Calculated enthalpy of reaction SO2 # Enthalpy of formation: -77.194 kcal/mol - -analytic 9.4048e+001 6.2127e-002 -1.1072e+003 -4.0310e+001 -1.7305e+001 + -analytic 9.4048e+1 6.2127e-2 -1.1072e+3 -4.031e+1 -1.7305e+1 # -Range: 0-300 -1.0000 Sb(OH)3 + 1.0000 H+ = Sb(OH)2+ +1.0000 H2O - -llnl_gamma 4.0 - log_k +1.4900 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)2+ +Sb(OH)3 + H+ = Sb(OH)2+ + H2O + -llnl_gamma 4 + log_k 1.49 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)2+ # Enthalpy of formation: -0 kcal/mol - - -analytic -4.9192e+000 -1.6439e-004 1.4777e+003 6.0724e-001 2.3059e+001 + + -analytic -4.9192e+0 -1.6439e-4 1.4777e+3 6.0724e-1 2.3059e+1 # -Range: 0-300 -1.0000 Sb(OH)3 + 1.0000 H+ + 1.0000 F- = Sb(OH)2F +1.0000 H2O - -llnl_gamma 3.0 - log_k +7.1700 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)2F +Sb(OH)3 + H+ + F- = Sb(OH)2F + H2O + -llnl_gamma 3 + log_k 7.17 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)2F # Enthalpy of formation: -0 kcal/mol - - -analytic -1.6961e+002 5.7364e-002 2.7207e+004 3.7969e+001 -2.2834e+006 + + -analytic -1.6961e+2 5.7364e-2 2.7207e+4 3.7969e+1 -2.2834e+6 # -Range: 0-300 -1.0000 Sb(OH)3 + 1.0000 H2O = Sb(OH)4- +1.0000 H+ - -llnl_gamma 4.0 - log_k -11.92 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)4- +Sb(OH)3 + H2O = Sb(OH)4- + H+ + -llnl_gamma 4 + log_k -11.92 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)4- # Enthalpy of formation: -0 kcal/mol - - -analytic 4.9839e+001 -6.7112e-003 -4.8976e+003 -1.7138e+001 -8.3725e+004 + + -analytic 4.9839e+1 -6.7112e-3 -4.8976e+3 -1.7138e+1 -8.3725e+4 # -Range: 0-300 -4.0000 HS- + 2.0000 Sb(OH)3 + 2.0000 H+ = Sb2S4-- +6.0000 H2O - -llnl_gamma 4.0 - log_k +39.1100 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sb2S4-2 +4 HS- + 2 Sb(OH)3 + 2 H+ = Sb2S4-2 + 6 H2O + -llnl_gamma 4 + log_k 39.11 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sb2S4-2 # Enthalpy of formation: -0 kcal/mol - - -analytic 1.7631e+002 8.3686e-002 9.7091e+003 -7.8605e+001 1.5145e+002 + + -analytic 1.7631e+2 8.3686e-2 9.7091e+3 -7.8605e+1 1.5145e+2 # -Range: 0-300 -4.0000 Cl- + 3.0000 H+ + 1.0000 Sb(OH)3 = SbCl4- +3.0000 H2O - -llnl_gamma 4.0 - log_k +3.0720 - -delta_H 0 # Not possible to calculate enthalpy of reaction SbCl4- +4 Cl- + 3 H+ + Sb(OH)3 = SbCl4- + 3 H2O + -llnl_gamma 4 + log_k 3.072 + -delta_H 0 # Not possible to calculate enthalpy of reaction SbCl4- # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Sc+++ = Sc(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.7237 - -delta_H -43.1789 kJ/mol # Calculated enthalpy of reaction Sc(Acetate)2+ + +2 HAcetate + Sc+3 = Sc(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -3.7237 + -delta_H -43.1789 kJ/mol # Calculated enthalpy of reaction Sc(Acetate)2+ # Enthalpy of formation: -389.32 kcal/mol - -analytic -4.1862e+001 -3.9443e-005 2.1444e+002 1.2616e+001 5.5442e+005 + -analytic -4.1862e+1 -3.9443e-5 2.1444e+2 1.2616e+1 5.5442e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Sc+++ = Sc(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -6.6777 - -delta_H -70.0402 kJ/mol # Calculated enthalpy of reaction Sc(Acetate)3 +3 HAcetate + Sc+3 = Sc(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -6.6777 + -delta_H -70.0402 kJ/mol # Calculated enthalpy of reaction Sc(Acetate)3 # Enthalpy of formation: -511.84 kcal/mol - -analytic -5.2525e+001 1.6181e-003 7.5022e+002 1.3988e+001 7.3540e+005 + -analytic -5.2525e+1 1.6181e-3 7.5022e+2 1.3988e+1 7.354e+5 # -Range: 0-300 -1.0000 Sc+++ + 1.0000 HAcetate = ScAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -1.4294 - -delta_H -21.7568 kJ/mol # Calculated enthalpy of reaction ScAcetate+2 +Sc+3 + HAcetate = ScAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -1.4294 + -delta_H -21.7568 kJ/mol # Calculated enthalpy of reaction ScAcetate+2 # Enthalpy of formation: -268.1 kcal/mol - -analytic -2.3400e+001 1.3144e-004 1.1125e+002 7.3527e+000 3.0025e+005 + -analytic -2.34e+1 1.3144e-4 1.1125e+2 7.3527e+0 3.0025e+5 # -Range: 0-300 -6.0000 F- + 4.0000 H+ + 1.0000 SiO2 = SiF6-- +2.0000 H2O - -llnl_gamma 4.0 - log_k +26.2749 - -delta_H -70.9565 kJ/mol # Calculated enthalpy of reaction SiF6-2 +6 F- + 4 H+ + SiO2 = SiF6-2 + 2 H2O + -llnl_gamma 4 + log_k 26.2749 + -delta_H -70.9565 kJ/mol # Calculated enthalpy of reaction SiF6-2 # Enthalpy of formation: -571 kcal/mol - -analytic 2.3209e+002 1.0685e-001 5.8428e+002 -9.6798e+001 9.0486e+000 + -analytic 2.3209e+2 1.0685e-1 5.8428e+2 -9.6798e+1 9.0486e+0 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Sm+++ = Sm(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.7132 - -delta_H -25.5224 kJ/mol # Calculated enthalpy of reaction Sm(Acetate)2+ +2 HAcetate + Sm+3 = Sm(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.7132 + -delta_H -25.5224 kJ/mol # Calculated enthalpy of reaction Sm(Acetate)2+ # Enthalpy of formation: -403.5 kcal/mol - -analytic -1.4192e+001 2.1732e-003 -1.0267e+003 2.9516e+000 4.4389e+005 + -analytic -1.4192e+1 2.1732e-3 -1.0267e+3 2.9516e+0 4.4389e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Sm+++ = Sm(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -7.8798 - -delta_H -43.5554 kJ/mol # Calculated enthalpy of reaction Sm(Acetate)3 +3 HAcetate + Sm+3 = Sm(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -7.8798 + -delta_H -43.5554 kJ/mol # Calculated enthalpy of reaction Sm(Acetate)3 # Enthalpy of formation: -523.91 kcal/mol - -analytic -2.0765e+001 1.1047e-003 -5.1181e+002 3.4797e+000 5.0618e+005 + -analytic -2.0765e+1 1.1047e-3 -5.1181e+2 3.4797e+0 5.0618e+5 # -Range: 0-300 -2.0000 HCO3- + 1.0000 Sm+++ = Sm(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.8576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(CO3)2- +2 HCO3- + Sm+3 = Sm(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.8576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(CO3)2- # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Sm+++ = Sm(HPO4)2- - -llnl_gamma 4.0 - log_k +9.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(HPO4)2- + +2 HPO4-2 + Sm+3 = Sm(HPO4)2- + -llnl_gamma 4 + log_k 9.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(HPO4)2- # Enthalpy of formation: -0 kcal/mol - + # Redundant with SmO2- #4.0000 H2O + 1.0000 Sm+++ = Sm(OH)4- +4.0000 H+ -# -llnl_gamma 4.0 +# -llnl_gamma 4.0 # log_k -36.8803 # -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(OH)4- ## Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Sm+++ = Sm(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.2437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Sm+++ = Sm(SO4)2- - -llnl_gamma 4.0 - log_k +5.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Sm+++ + 1.0000 HAcetate = SmAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -1.9205 - -delta_H -13.598 kJ/mol # Calculated enthalpy of reaction SmAcetate+2 + +2 HPO4-2 + Sm+3 = Sm(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -4.2437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Sm+3 = Sm(SO4)2- + -llnl_gamma 4 + log_k 5.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Sm+3 + HAcetate = SmAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -1.9205 + -delta_H -13.598 kJ/mol # Calculated enthalpy of reaction SmAcetate+2 # Enthalpy of formation: -284.55 kcal/mol - -analytic -1.1734e+001 1.0889e-003 -5.1061e+002 3.3317e+000 2.6395e+005 + -analytic -1.1734e+1 1.0889e-3 -5.1061e+2 3.3317e+0 2.6395e+5 # -Range: 0-300 -1.0000 Sm+++ + 1.0000 HCO3- = SmCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.479 - -delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction SmCO3+ +Sm+3 + HCO3- = SmCO3+ + H+ + -llnl_gamma 4 + log_k -2.479 + -delta_H 89.1108 kJ/mol # Calculated enthalpy of reaction SmCO3+ # Enthalpy of formation: -308.8 kcal/mol - -analytic 2.3486e+002 5.3703e-002 -7.0193e+003 -9.2863e+001 -1.0960e+002 + -analytic 2.3486e+2 5.3703e-2 -7.0193e+3 -9.2863e+1 -1.096e+2 # -Range: 0-300 -1.0000 Sm+++ + 1.0000 Cl- = SmCl++ - -llnl_gamma 4.5 - log_k +0.3086 - -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction SmCl+2 +Sm+3 + Cl- = SmCl+2 + -llnl_gamma 4.5 + log_k 0.3086 + -delta_H 14.3637 kJ/mol # Calculated enthalpy of reaction SmCl+2 # Enthalpy of formation: -201.7 kcal/mol - -analytic 9.4972e+001 3.9428e-002 -2.4198e+003 -3.9718e+001 -3.7787e+001 + -analytic 9.4972e+1 3.9428e-2 -2.4198e+3 -3.9718e+1 -3.7787e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Sm+++ = SmCl2+ - -llnl_gamma 4.0 - log_k -0.0425 - -delta_H 19.9409 kJ/mol # Calculated enthalpy of reaction SmCl2+ +2 Cl- + Sm+3 = SmCl2+ + -llnl_gamma 4 + log_k -0.0425 + -delta_H 19.9409 kJ/mol # Calculated enthalpy of reaction SmCl2+ # Enthalpy of formation: -240.3 kcal/mol - -analytic 2.5872e+002 8.4154e-002 -7.2061e+003 -1.0493e+002 -1.1252e+002 + -analytic 2.5872e+2 8.4154e-2 -7.2061e+3 -1.0493e+2 -1.1252e+2 # -Range: 0-300 -3.0000 Cl- + 1.0000 Sm+++ = SmCl3 - -llnl_gamma 3.0 - log_k -0.3936 - -delta_H 13.803 kJ/mol # Calculated enthalpy of reaction SmCl3 +3 Cl- + Sm+3 = SmCl3 + -llnl_gamma 3 + log_k -0.3936 + -delta_H 13.803 kJ/mol # Calculated enthalpy of reaction SmCl3 # Enthalpy of formation: -281.7 kcal/mol - -analytic 4.9535e+002 1.3520e-001 -1.4325e+004 -1.9720e+002 -2.2367e+002 + -analytic 4.9535e+2 1.352e-1 -1.4325e+4 -1.972e+2 -2.2367e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Sm+++ = SmCl4- - -llnl_gamma 4.0 - log_k -0.818 - -delta_H -5.30531 kJ/mol # Calculated enthalpy of reaction SmCl4- +4 Cl- + Sm+3 = SmCl4- + -llnl_gamma 4 + log_k -0.818 + -delta_H -5.30531 kJ/mol # Calculated enthalpy of reaction SmCl4- # Enthalpy of formation: -326.2 kcal/mol - -analytic 6.0562e+002 1.4212e-001 -1.7982e+004 -2.3782e+002 -2.8077e+002 + -analytic 6.0562e+2 1.4212e-1 -1.7982e+4 -2.3782e+2 -2.8077e+2 # -Range: 0-300 -1.0000 Sm+++ + 1.0000 F- = SmF++ - -llnl_gamma 4.5 - log_k +4.3687 - -delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction SmF+2 +Sm+3 + F- = SmF+2 + -llnl_gamma 4.5 + log_k 4.3687 + -delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction SmF+2 # Enthalpy of formation: -239.9 kcal/mol - -analytic 1.1514e+002 4.3117e-002 -3.2853e+003 -4.5499e+001 -5.1297e+001 + -analytic 1.1514e+2 4.3117e-2 -3.2853e+3 -4.5499e+1 -5.1297e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Sm+++ = SmF2+ - -llnl_gamma 4.0 - log_k +7.6379 - -delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction SmF2+ +2 F- + Sm+3 = SmF2+ + -llnl_gamma 4 + log_k 7.6379 + -delta_H 13.8072 kJ/mol # Calculated enthalpy of reaction SmF2+ # Enthalpy of formation: -322.2 kcal/mol - -analytic 2.8030e+002 8.8143e-002 -7.2857e+003 -1.1092e+002 -1.1377e+002 + -analytic 2.803e+2 8.8143e-2 -7.2857e+3 -1.1092e+2 -1.1377e+2 # -Range: 0-300 -3.0000 F- + 1.0000 Sm+++ = SmF3 - -llnl_gamma 3.0 - log_k +10.0275 - -delta_H -8.5772 kJ/mol # Calculated enthalpy of reaction SmF3 +3 F- + Sm+3 = SmF3 + -llnl_gamma 3 + log_k 10.0275 + -delta_H -8.5772 kJ/mol # Calculated enthalpy of reaction SmF3 # Enthalpy of formation: -407.7 kcal/mol - -analytic 5.2425e+002 1.4191e-001 -1.3728e+004 -2.0628e+002 -2.1436e+002 + -analytic 5.2425e+2 1.4191e-1 -1.3728e+4 -2.0628e+2 -2.1436e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Sm+++ = SmF4- - -llnl_gamma 4.0 - log_k +11.9773 - -delta_H -49.7896 kJ/mol # Calculated enthalpy of reaction SmF4- +4 F- + Sm+3 = SmF4- + -llnl_gamma 4 + log_k 11.9773 + -delta_H -49.7896 kJ/mol # Calculated enthalpy of reaction SmF4- # Enthalpy of formation: -497.7 kcal/mol - -analytic 6.2228e+002 1.4659e-001 -1.5887e+004 -2.4275e+002 -2.4809e+002 + -analytic 6.2228e+2 1.4659e-1 -1.5887e+4 -2.4275e+2 -2.4809e+2 # -Range: 0-300 -1.0000 Sm+++ + 1.0000 HPO4-- + 1.0000 H+ = SmH2PO4++ - -llnl_gamma 4.5 - log_k +9.4484 - -delta_H -15.8364 kJ/mol # Calculated enthalpy of reaction SmH2PO4+2 +Sm+3 + HPO4-2 + H+ = SmH2PO4+2 + -llnl_gamma 4.5 + log_k 9.4484 + -delta_H -15.8364 kJ/mol # Calculated enthalpy of reaction SmH2PO4+2 # Enthalpy of formation: -477.8 kcal/mol - -analytic 1.2451e+002 6.4959e-002 -3.9576e+002 -5.3772e+001 -6.2124e+000 + -analytic 1.2451e+2 6.4959e-2 -3.9576e+2 -5.3772e+1 -6.2124e+0 # -Range: 0-300 -1.0000 Sm+++ + 1.0000 HCO3- = SmHCO3++ - -llnl_gamma 4.5 - log_k +1.7724 - -delta_H 9.19643 kJ/mol # Calculated enthalpy of reaction SmHCO3+2 +Sm+3 + HCO3- = SmHCO3+2 + -llnl_gamma 4.5 + log_k 1.7724 + -delta_H 9.19643 kJ/mol # Calculated enthalpy of reaction SmHCO3+2 # Enthalpy of formation: -327.9 kcal/mol - -analytic 5.5520e+001 3.3265e-002 -7.3142e+002 -2.4727e+001 -1.1430e+001 + -analytic 5.552e+1 3.3265e-2 -7.3142e+2 -2.4727e+1 -1.143e+1 # -Range: 0-300 -1.0000 Sm+++ + 1.0000 HPO4-- = SmHPO4+ - -llnl_gamma 4.0 - log_k +5.6000 - -delta_H 0 # Not possible to calculate enthalpy of reaction SmHPO4+ +Sm+3 + HPO4-2 = SmHPO4+ + -llnl_gamma 4 + log_k 5.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction SmHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Sm+++ + 1.0000 NO3- = SmNO3++ - -llnl_gamma 4.5 - log_k +0.8012 - -delta_H -29.1667 kJ/mol # Calculated enthalpy of reaction SmNO3+2 + +Sm+3 + NO3- = SmNO3+2 + -llnl_gamma 4.5 + log_k 0.8012 + -delta_H -29.1667 kJ/mol # Calculated enthalpy of reaction SmNO3+2 # Enthalpy of formation: -221.6 kcal/mol - -analytic 3.3782e+001 2.7125e-002 1.5091e+003 -1.8632e+001 2.3537e+001 + -analytic 3.3782e+1 2.7125e-2 1.5091e+3 -1.8632e+1 2.3537e+1 # -Range: 0-300 -1.0000 Sm+++ + 1.0000 H2O = SmO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -16.4837 - -delta_H 113.039 kJ/mol # Calculated enthalpy of reaction SmO+ +Sm+3 + H2O = SmO+ + 2 H+ + -llnl_gamma 4 + log_k -16.4837 + -delta_H 113.039 kJ/mol # Calculated enthalpy of reaction SmO+ # Enthalpy of formation: -206.5 kcal/mol - -analytic 1.8554e+002 3.0198e-002 -1.3791e+004 -6.6588e+001 -2.1526e+002 + -analytic 1.8554e+2 3.0198e-2 -1.3791e+4 -6.6588e+1 -2.1526e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Sm+++ = SmO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -35.0197 - -delta_H 285.909 kJ/mol # Calculated enthalpy of reaction SmO2- +2 H2O + Sm+3 = SmO2- + 4 H+ + -llnl_gamma 4 + log_k -35.0197 + -delta_H 285.909 kJ/mol # Calculated enthalpy of reaction SmO2- # Enthalpy of formation: -233.5 kcal/mol - -analytic 1.3508e+001 -8.3384e-003 -1.0325e+004 -1.5506e+000 -6.7392e+005 + -analytic 1.3508e+1 -8.3384e-3 -1.0325e+4 -1.5506e+0 -6.7392e+5 # -Range: 0-300 -2.0000 H2O + 1.0000 Sm+++ = SmO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -25.9304 - -delta_H 226.497 kJ/mol # Calculated enthalpy of reaction SmO2H +2 H2O + Sm+3 = SmO2H + 3 H+ + -llnl_gamma 3 + log_k -25.9304 + -delta_H 226.497 kJ/mol # Calculated enthalpy of reaction SmO2H # Enthalpy of formation: -247.7 kcal/mol - -analytic 3.6882e+002 5.3761e-002 -2.4317e+004 -1.3305e+002 -3.7956e+002 + -analytic 3.6882e+2 5.3761e-2 -2.4317e+4 -1.3305e+2 -3.7956e+2 # -Range: 0-300 -1.0000 Sm+++ + 1.0000 H2O = SmOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.9808 - -delta_H 79.1487 kJ/mol # Calculated enthalpy of reaction SmOH+2 +Sm+3 + H2O = SmOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.9808 + -delta_H 79.1487 kJ/mol # Calculated enthalpy of reaction SmOH+2 # Enthalpy of formation: -214.6 kcal/mol - -analytic 6.3793e+001 1.1977e-002 -6.0852e+003 -2.2198e+001 -9.4972e+001 + -analytic 6.3793e+1 1.1977e-2 -6.0852e+3 -2.2198e+1 -9.4972e+1 # -Range: 0-300 -1.0000 Sm+++ + 1.0000 HPO4-- = SmPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k -0.2218 - -delta_H 0 # Not possible to calculate enthalpy of reaction SmPO4 +Sm+3 + HPO4-2 = SmPO4 + H+ + -llnl_gamma 3 + log_k -0.2218 + -delta_H 0 # Not possible to calculate enthalpy of reaction SmPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 Sm+++ + 1.0000 SO4-- = SmSO4+ - -llnl_gamma 4.0 - log_k +3.6430 - -delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction SmSO4+ + +Sm+3 + SO4-2 = SmSO4+ + -llnl_gamma 4 + log_k 3.643 + -delta_H 20.0832 kJ/mol # Calculated enthalpy of reaction SmSO4+ # Enthalpy of formation: -377.8 kcal/mol - -analytic 3.0597e+002 8.6258e-002 -9.0231e+003 -1.2032e+002 -1.4089e+002 + -analytic 3.0597e+2 8.6258e-2 -9.0231e+3 -1.2032e+2 -1.4089e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Sn++ = Sn(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -7.9102 - -delta_H 42.0534 kJ/mol # Calculated enthalpy of reaction Sn(OH)2 +2 H2O + Sn+2 = Sn(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -7.9102 + -delta_H 42.0534 kJ/mol # Calculated enthalpy of reaction Sn(OH)2 # Enthalpy of formation: -128.683 kcal/mol - -analytic -3.7979e+001 -1.0893e-002 -1.2048e+003 1.5100e+001 -2.0445e+001 + -analytic -3.7979e+1 -1.0893e-2 -1.2048e+3 1.51e+1 -2.0445e+1 # -Range: 0-200 -2.0000 H2O + 1.0000 Sn++++ = Sn(OH)2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k -0.1902 - -delta_H -2.02087 kJ/mol # Calculated enthalpy of reaction Sn(OH)2+2 +2 H2O + Sn+4 = Sn(OH)2+2 + 2 H+ + -llnl_gamma 4.5 + log_k -0.1902 + -delta_H -2.02087 kJ/mol # Calculated enthalpy of reaction Sn(OH)2+2 # Enthalpy of formation: -129.888 kcal/mol - -analytic -2.1675e+001 5.9697e-003 3.3953e+003 4.8158e+000 -3.2042e+005 + -analytic -2.1675e+1 5.9697e-3 3.3953e+3 4.8158e+0 -3.2042e+5 # -Range: 0-300 -3.0000 H2O + 1.0000 Sn++++ = Sn(OH)3+ +3.0000 H+ - -llnl_gamma 4.0 - log_k +0.5148 - -delta_H -7.59396 kJ/mol # Calculated enthalpy of reaction Sn(OH)3+ +3 H2O + Sn+4 = Sn(OH)3+ + 3 H+ + -llnl_gamma 4 + log_k 0.5148 + -delta_H -7.59396 kJ/mol # Calculated enthalpy of reaction Sn(OH)3+ # Enthalpy of formation: -199.537 kcal/mol - -analytic -3.3294e+001 8.8580e-003 5.3803e+003 7.4994e+000 -4.8389e+005 + -analytic -3.3294e+1 8.858e-3 5.3803e+3 7.4994e+0 -4.8389e+5 # -Range: 0-300 -3.0000 H2O + 1.0000 Sn++ = Sn(OH)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -17.4052 - -delta_H 94.7007 kJ/mol # Calculated enthalpy of reaction Sn(OH)3- +3 H2O + Sn+2 = Sn(OH)3- + 3 H+ + -llnl_gamma 4 + log_k -17.4052 + -delta_H 94.7007 kJ/mol # Calculated enthalpy of reaction Sn(OH)3- # Enthalpy of formation: -184.417 kcal/mol - -analytic 1.5614e+002 1.9943e-002 -1.0700e+004 -5.8031e+001 -1.6701e+002 + -analytic 1.5614e+2 1.9943e-2 -1.07e+4 -5.8031e+1 -1.6701e+2 # -Range: 0-300 -4.0000 H2O + 1.0000 Sn++++ = Sn(OH)4 +4.0000 H+ - -llnl_gamma 3.0 - log_k +0.8497 - -delta_H -11.0583 kJ/mol # Calculated enthalpy of reaction Sn(OH)4 +4 H2O + Sn+4 = Sn(OH)4 + 4 H+ + -llnl_gamma 3 + log_k 0.8497 + -delta_H -11.0583 kJ/mol # Calculated enthalpy of reaction Sn(OH)4 # Enthalpy of formation: -268.682 kcal/mol - -analytic -7.9563e+001 -2.2641e-002 2.6682e+003 3.1614e+001 4.5337e+001 + -analytic -7.9563e+1 -2.2641e-2 2.6682e+3 3.1614e+1 4.5337e+1 # -Range: 0-200 -2.0000 SO4-- + 1.0000 Sn++++ = Sn(SO4)2 - -llnl_gamma 3.0 - log_k -0.8072 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sn(SO4)2 +2 SO4-2 + Sn+4 = Sn(SO4)2 + -llnl_gamma 3 + log_k -0.8072 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sn(SO4)2 # Enthalpy of formation: -0 kcal/mol - -1.0000 Sn++ + 1.0000 Cl- = SnCl+ - -llnl_gamma 4.0 - log_k +1.0500 - -delta_H 0 # Not possible to calculate enthalpy of reaction SnCl+ + +Sn+2 + Cl- = SnCl+ + -llnl_gamma 4 + log_k 1.05 + -delta_H 0 # Not possible to calculate enthalpy of reaction SnCl+ # Enthalpy of formation: -0 kcal/mol - - -analytic 3.0558e+002 8.2458e-002 -8.9329e+003 -1.2088e+002 -1.3948e+002 + + -analytic 3.0558e+2 8.2458e-2 -8.9329e+3 -1.2088e+2 -1.3948e+2 # -Range: 0-300 -2.0000 Cl- + 1.0000 Sn++ = SnCl2 - -llnl_gamma 3.0 - log_k +1.7100 - -delta_H 0 # Not possible to calculate enthalpy of reaction SnCl2 +2 Cl- + Sn+2 = SnCl2 + -llnl_gamma 3 + log_k 1.71 + -delta_H 0 # Not possible to calculate enthalpy of reaction SnCl2 # Enthalpy of formation: -0 kcal/mol - - -analytic 3.6600e+002 1.0753e-001 -1.0006e+004 -1.4660e+002 -1.5624e+002 + + -analytic 3.66e+2 1.0753e-1 -1.0006e+4 -1.466e+2 -1.5624e+2 # -Range: 0-300 -3.0000 Cl- + 1.0000 Sn++ = SnCl3- - -llnl_gamma 4.0 - log_k +1.6900 - -delta_H 0 # Not possible to calculate enthalpy of reaction SnCl3- +3 Cl- + Sn+2 = SnCl3- + -llnl_gamma 4 + log_k 1.69 + -delta_H 0 # Not possible to calculate enthalpy of reaction SnCl3- # Enthalpy of formation: -0 kcal/mol - - -analytic 3.6019e+002 1.0602e-001 -1.0337e+004 -1.4363e+002 -1.6141e+002 + + -analytic 3.6019e+2 1.0602e-1 -1.0337e+4 -1.4363e+2 -1.6141e+2 # -Range: 0-300 -1.0000 Sn++ + 1.0000 F- = SnF+ - -llnl_gamma 4.0 - log_k +4.0800 - -delta_H 0 # Not possible to calculate enthalpy of reaction SnF+ +Sn+2 + F- = SnF+ + -llnl_gamma 4 + log_k 4.08 + -delta_H 0 # Not possible to calculate enthalpy of reaction SnF+ # Enthalpy of formation: -0 kcal/mol - - -analytic 3.0020e+002 7.5485e-002 -8.4231e+003 -1.1734e+002 -1.3152e+002 + + -analytic 3.002e+2 7.5485e-2 -8.4231e+3 -1.1734e+2 -1.3152e+2 # -Range: 0-300 -2.0000 F- + 1.0000 Sn++ = SnF2 - -llnl_gamma 3.0 - log_k +6.6800 - -delta_H 0 # Not possible to calculate enthalpy of reaction SnF2 +2 F- + Sn+2 = SnF2 + -llnl_gamma 3 + log_k 6.68 + -delta_H 0 # Not possible to calculate enthalpy of reaction SnF2 # Enthalpy of formation: -0 kcal/mol - - -analytic 4.1241e+002 1.0988e-001 -1.1151e+004 -1.6207e+002 -1.7413e+002 + + -analytic 4.1241e+2 1.0988e-1 -1.1151e+4 -1.6207e+2 -1.7413e+2 # -Range: 0-300 -3.0000 F- + 1.0000 Sn++ = SnF3- - -llnl_gamma 4.0 - log_k +9.4600 - -delta_H 0 # Not possible to calculate enthalpy of reaction SnF3- +3 F- + Sn+2 = SnF3- + -llnl_gamma 4 + log_k 9.46 + -delta_H 0 # Not possible to calculate enthalpy of reaction SnF3- # Enthalpy of formation: -0 kcal/mol - - -analytic 4.1793e+002 1.0898e-001 -1.1402e+004 -1.6273e+002 -1.7803e+002 + + -analytic 4.1793e+2 1.0898e-1 -1.1402e+4 -1.6273e+2 -1.7803e+2 # -Range: 0-300 -1.0000 Sn++ + 1.0000 H2O = SnOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.9851 - -delta_H 21.2045 kJ/mol # Calculated enthalpy of reaction SnOH+ +Sn+2 + H2O = SnOH+ + H+ + -llnl_gamma 4 + log_k -3.9851 + -delta_H 21.2045 kJ/mol # Calculated enthalpy of reaction SnOH+ # Enthalpy of formation: -65.349 kcal/mol - -analytic 7.7253e+001 1.9149e-002 -3.3745e+003 -3.0560e+001 -5.2679e+001 + -analytic 7.7253e+1 1.9149e-2 -3.3745e+3 -3.056e+1 -5.2679e+1 # -Range: 0-300 -1.0000 Sn++++ + 1.0000 H2O = SnOH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k +0.6049 - -delta_H -5.00406 kJ/mol # Calculated enthalpy of reaction SnOH+3 +Sn+4 + H2O = SnOH+3 + H+ + -llnl_gamma 5 + log_k 0.6049 + -delta_H -5.00406 kJ/mol # Calculated enthalpy of reaction SnOH+3 # Enthalpy of formation: -62.284 kcal/mol - -analytic -1.1548e+001 2.8878e-003 1.9476e+003 2.6622e+000 -1.6274e+005 + -analytic -1.1548e+1 2.8878e-3 1.9476e+3 2.6622e+0 -1.6274e+5 # -Range: 0-300 -1.0000 Sn++++ + 1.0000 SO4-- = SnSO4++ - -llnl_gamma 4.5 - log_k -3.1094 - -delta_H 0 # Not possible to calculate enthalpy of reaction SnSO4+2 +Sn+4 + SO4-2 = SnSO4+2 + -llnl_gamma 4.5 + log_k -3.1094 + -delta_H 0 # Not possible to calculate enthalpy of reaction SnSO4+2 # Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Sr++ = Sr(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -7.8212 - -delta_H 0.54392 kJ/mol # Calculated enthalpy of reaction Sr(Acetate)2 + +2 HAcetate + Sr+2 = Sr(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -7.8212 + -delta_H 0.54392 kJ/mol # Calculated enthalpy of reaction Sr(Acetate)2 # Enthalpy of formation: -363.74 kcal/mol - -analytic 1.2965e+001 4.7082e-003 -5.2538e+003 -5.2337e+000 7.4721e+005 + -analytic 1.2965e+1 4.7082e-3 -5.2538e+3 -5.2337e+0 7.4721e+5 # -Range: 0-300 -1.0000 Sr++ + 1.0000 HAcetate = SrAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.6724 - -delta_H 2.3012 kJ/mol # Calculated enthalpy of reaction SrAcetate+ +Sr+2 + HAcetate = SrAcetate+ + H+ + -llnl_gamma 4 + log_k -3.6724 + -delta_H 2.3012 kJ/mol # Calculated enthalpy of reaction SrAcetate+ # Enthalpy of formation: -247.22 kcal/mol - -analytic -1.4301e+001 1.2481e-003 -7.5690e+002 4.2760e+000 1.9800e+005 + -analytic -1.4301e+1 1.2481e-3 -7.569e+2 4.276e+0 1.98e+5 # -Range: 0-300 -1.0000 Sr++ + 1.0000 HCO3- = SrCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -7.4635 - -delta_H 33.2544 kJ/mol # Calculated enthalpy of reaction SrCO3 +Sr+2 + HCO3- = SrCO3 + H+ + -llnl_gamma 3 + log_k -7.4635 + -delta_H 33.2544 kJ/mol # Calculated enthalpy of reaction SrCO3 # Enthalpy of formation: -288.62 kcal/mol - -analytic 2.2303e+002 5.2582e-002 -8.4861e+003 -8.7975e+001 -1.3248e+002 + -analytic 2.2303e+2 5.2582e-2 -8.4861e+3 -8.7975e+1 -1.3248e+2 # -Range: 0-300 -1.0000 Sr++ + 1.0000 Cl- = SrCl+ - -llnl_gamma 4.0 - log_k -0.2485 - -delta_H 7.58559 kJ/mol # Calculated enthalpy of reaction SrCl+ +Sr+2 + Cl- = SrCl+ + -llnl_gamma 4 + log_k -0.2485 + -delta_H 7.58559 kJ/mol # Calculated enthalpy of reaction SrCl+ # Enthalpy of formation: -169.79 kcal/mol - -analytic 9.4568e+001 3.9042e-002 -2.1458e+003 -4.0105e+001 -3.3511e+001 + -analytic 9.4568e+1 3.9042e-2 -2.1458e+3 -4.0105e+1 -3.3511e+1 # -Range: 0-300 -1.0000 Sr++ + 1.0000 F- = SrF+ - -llnl_gamma 4.0 - log_k +0.1393 - -delta_H 4.8116 kJ/mol # Calculated enthalpy of reaction SrF+ +Sr+2 + F- = SrF+ + -llnl_gamma 4 + log_k 0.1393 + -delta_H 4.8116 kJ/mol # Calculated enthalpy of reaction SrF+ # Enthalpy of formation: -210.67 kcal/mol - -analytic 9.0295e+001 3.7609e-002 -1.9012e+003 -3.8379e+001 -2.9693e+001 -# -Range: 0-300 - -1.0000 Sr++ + 1.0000 HPO4-- + 1.0000 H+ = SrH2PO4+ - -llnl_gamma 4.0 - log_k +0.7300 - -delta_H 0 # Not possible to calculate enthalpy of reaction SrH2PO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Sr++ + 1.0000 HPO4-- = SrHPO4 - -llnl_gamma 3.0 - log_k +2.0600 - -delta_H 0 # Not possible to calculate enthalpy of reaction SrHPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Sr++ + 1.0000 NO3- = SrNO3+ - -llnl_gamma 4.0 - log_k +0.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction SrNO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Sr++ + 1.0000 H2O = SrOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -13.29 - -delta_H 0 # Not possible to calculate enthalpy of reaction SrOH+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Sr++ = SrP2O7-- +1.0000 H2O - -llnl_gamma 4.0 - log_k +1.6537 - -delta_H 0 # Not possible to calculate enthalpy of reaction SrP2O7-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Sr++ + 1.0000 SO4-- = SrSO4 - -llnl_gamma 3.0 - log_k +2.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction SrSO4 -# Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Tb+++ = Tb(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.9625 - -delta_H -27.9491 kJ/mol # Calculated enthalpy of reaction Tb(Acetate)2+ + -analytic 9.0295e+1 3.7609e-2 -1.9012e+3 -3.8379e+1 -2.9693e+1 +# -Range: 0-300 + +Sr+2 + HPO4-2 + H+ = SrH2PO4+ + -llnl_gamma 4 + log_k 0.73 + -delta_H 0 # Not possible to calculate enthalpy of reaction SrH2PO4+ +# Enthalpy of formation: -0 kcal/mol + +Sr+2 + HPO4-2 = SrHPO4 + -llnl_gamma 3 + log_k 2.06 + -delta_H 0 # Not possible to calculate enthalpy of reaction SrHPO4 +# Enthalpy of formation: -0 kcal/mol + +Sr+2 + NO3- = SrNO3+ + -llnl_gamma 4 + log_k 0.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction SrNO3+ +# Enthalpy of formation: -0 kcal/mol + +Sr+2 + H2O = SrOH+ + H+ + -llnl_gamma 4 + log_k -13.29 + -delta_H 0 # Not possible to calculate enthalpy of reaction SrOH+ +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Sr+2 = SrP2O7-2 + H2O + -llnl_gamma 4 + log_k 1.6537 + -delta_H 0 # Not possible to calculate enthalpy of reaction SrP2O7-2 +# Enthalpy of formation: -0 kcal/mol + +Sr+2 + SO4-2 = SrSO4 + -llnl_gamma 3 + log_k 2.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction SrSO4 +# Enthalpy of formation: -0 kcal/mol + +2 HAcetate + Tb+3 = Tb(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.9625 + -delta_H -27.9491 kJ/mol # Calculated enthalpy of reaction Tb(Acetate)2+ # Enthalpy of formation: -405.78 kcal/mol - -analytic -2.3910e+001 1.3433e-003 -8.0800e+002 6.3895e+000 4.8619e+005 + -analytic -2.391e+1 1.3433e-3 -8.08e+2 6.3895e+0 4.8619e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Tb+++ = Tb(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.3489 - -delta_H -47.1537 kJ/mol # Calculated enthalpy of reaction Tb(Acetate)3 +3 HAcetate + Tb+3 = Tb(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.3489 + -delta_H -47.1537 kJ/mol # Calculated enthalpy of reaction Tb(Acetate)3 # Enthalpy of formation: -526.47 kcal/mol - -analytic -1.0762e+001 4.2361e-003 -1.5620e+003 -3.9317e-001 6.5745e+005 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 Tb+++ = Tb(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.5576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Tb+++ = Tb(HPO4)2- - -llnl_gamma 4.0 - log_k +9.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(HPO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Tb+++ = Tb(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.6437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Tb+++ = Tb(SO4)2- - -llnl_gamma 4.0 - log_k +5.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Tb+++ + 1.0000 HAcetate = TbAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.1037 - -delta_H -14.2256 kJ/mol # Calculated enthalpy of reaction TbAcetate+2 + -analytic -1.0762e+1 4.2361e-3 -1.562e+3 -3.9317e-1 6.5745e+5 +# -Range: 0-300 + +2 HCO3- + Tb+3 = Tb(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.5576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Tb+3 = Tb(HPO4)2- + -llnl_gamma 4 + log_k 9.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Tb+3 = Tb(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -3.6437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Tb+3 = Tb(SO4)2- + -llnl_gamma 4 + log_k 5 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Tb+3 + HAcetate = TbAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.1037 + -delta_H -14.2256 kJ/mol # Calculated enthalpy of reaction TbAcetate+2 # Enthalpy of formation: -286.4 kcal/mol - -analytic -1.6817e+001 6.4290e-004 -3.4442e+002 5.0994e+000 2.7304e+005 + -analytic -1.6817e+1 6.429e-4 -3.4442e+2 5.0994e+0 2.7304e+5 # -Range: 0-300 -1.0000 Tb+++ + 1.0000 HCO3- = TbCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.4057 - -delta_H 89.5292 kJ/mol # Calculated enthalpy of reaction TbCO3+ +Tb+3 + HCO3- = TbCO3+ + H+ + -llnl_gamma 4 + log_k -2.4057 + -delta_H 89.5292 kJ/mol # Calculated enthalpy of reaction TbCO3+ # Enthalpy of formation: -310.4 kcal/mol - -analytic 2.2347e+002 5.4185e-002 -6.4127e+003 -8.9112e+001 -1.0013e+002 + -analytic 2.2347e+2 5.4185e-2 -6.4127e+3 -8.9112e+1 -1.0013e+2 # -Range: 0-300 -1.0000 Tb+++ + 1.0000 Cl- = TbCl++ - -llnl_gamma 4.5 - log_k +0.2353 - -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction TbCl+2 +Tb+3 + Cl- = TbCl+2 + -llnl_gamma 4.5 + log_k 0.2353 + -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction TbCl+2 # Enthalpy of formation: -203.5 kcal/mol - -analytic 7.1095e+001 3.7367e-002 -1.4676e+003 -3.1140e+001 -2.2921e+001 + -analytic 7.1095e+1 3.7367e-2 -1.4676e+3 -3.114e+1 -2.2921e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Tb+++ = TbCl2+ - -llnl_gamma 4.0 - log_k -0.0425 - -delta_H 18.2673 kJ/mol # Calculated enthalpy of reaction TbCl2+ +2 Cl- + Tb+3 = TbCl2+ + -llnl_gamma 4 + log_k -0.0425 + -delta_H 18.2673 kJ/mol # Calculated enthalpy of reaction TbCl2+ # Enthalpy of formation: -242.4 kcal/mol - -analytic 2.0699e+002 7.9609e-002 -5.0958e+003 -8.6337e+001 -7.9576e+001 + -analytic 2.0699e+2 7.9609e-2 -5.0958e+3 -8.6337e+1 -7.9576e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Tb+++ = TbCl3 - -llnl_gamma 3.0 - log_k -0.4669 - -delta_H 10.0374 kJ/mol # Calculated enthalpy of reaction TbCl3 +3 Cl- + Tb+3 = TbCl3 + -llnl_gamma 3 + log_k -0.4669 + -delta_H 10.0374 kJ/mol # Calculated enthalpy of reaction TbCl3 # Enthalpy of formation: -284.3 kcal/mol - -analytic 4.0764e+002 1.2809e-001 -1.0704e+004 -1.6583e+002 -1.6715e+002 + -analytic 4.0764e+2 1.2809e-1 -1.0704e+4 -1.6583e+2 -1.6715e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Tb+++ = TbCl4- - -llnl_gamma 4.0 - log_k -0.8913 - -delta_H -11.5813 kJ/mol # Calculated enthalpy of reaction TbCl4- +4 Cl- + Tb+3 = TbCl4- + -llnl_gamma 4 + log_k -0.8913 + -delta_H -11.5813 kJ/mol # Calculated enthalpy of reaction TbCl4- # Enthalpy of formation: -329.4 kcal/mol - -analytic 4.6247e+002 1.2926e-001 -1.2117e+004 -1.8639e+002 -1.8921e+002 + -analytic 4.6247e+2 1.2926e-1 -1.2117e+4 -1.8639e+2 -1.8921e+2 # -Range: 0-300 -1.0000 Tb+++ + 1.0000 F- = TbF++ - -llnl_gamma 4.5 - log_k +4.6619 - -delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction TbF+2 +Tb+3 + F- = TbF+2 + -llnl_gamma 4.5 + log_k 4.6619 + -delta_H 22.8028 kJ/mol # Calculated enthalpy of reaction TbF+2 # Enthalpy of formation: -241.6 kcal/mol - -analytic 9.2579e+001 4.1327e-002 -2.3647e+003 -3.7293e+001 -3.6927e+001 + -analytic 9.2579e+1 4.1327e-2 -2.3647e+3 -3.7293e+1 -3.6927e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Tb+++ = TbF2+ - -llnl_gamma 4.0 - log_k +8.1510 - -delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction TbF2+ +2 F- + Tb+3 = TbF2+ + -llnl_gamma 4 + log_k 8.151 + -delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction TbF2+ # Enthalpy of formation: -324.3 kcal/mol - -analytic 2.3100e+002 8.4094e-002 -5.2548e+003 -9.3051e+001 -8.2065e+001 + -analytic 2.31e+2 8.4094e-2 -5.2548e+3 -9.3051e+1 -8.2065e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Tb+++ = TbF3 - -llnl_gamma 3.0 - log_k +10.6872 - -delta_H -11.9244 kJ/mol # Calculated enthalpy of reaction TbF3 +3 F- + Tb+3 = TbF3 + -llnl_gamma 3 + log_k 10.6872 + -delta_H -11.9244 kJ/mol # Calculated enthalpy of reaction TbF3 # Enthalpy of formation: -410.2 kcal/mol - -analytic 4.3730e+002 1.3479e-001 -1.0128e+004 -1.7489e+002 -1.5817e+002 + -analytic 4.373e+2 1.3479e-1 -1.0128e+4 -1.7489e+2 -1.5817e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Tb+++ = TbF4- - -llnl_gamma 4.0 - log_k +12.7836 - -delta_H -56.0656 kJ/mol # Calculated enthalpy of reaction TbF4- +4 F- + Tb+3 = TbF4- + -llnl_gamma 4 + log_k 12.7836 + -delta_H -56.0656 kJ/mol # Calculated enthalpy of reaction TbF4- # Enthalpy of formation: -500.9 kcal/mol - -analytic 4.8546e+002 1.3511e-001 -1.0189e+004 -1.9347e+002 -1.5913e+002 + -analytic 4.8546e+2 1.3511e-1 -1.0189e+4 -1.9347e+2 -1.5913e+2 # -Range: 0-300 -1.0000 Tb+++ + 1.0000 HPO4-- + 1.0000 H+ = TbH2PO4++ - -llnl_gamma 4.5 - log_k +9.3751 - -delta_H -17.51 kJ/mol # Calculated enthalpy of reaction TbH2PO4+2 +Tb+3 + HPO4-2 + H+ = TbH2PO4+2 + -llnl_gamma 4.5 + log_k 9.3751 + -delta_H -17.51 kJ/mol # Calculated enthalpy of reaction TbH2PO4+2 # Enthalpy of formation: -479.9 kcal/mol - -analytic 1.0042e+002 6.2886e-002 6.0975e+002 -4.5178e+001 9.4847e+000 + -analytic 1.0042e+2 6.2886e-2 6.0975e+2 -4.5178e+1 9.4847e+0 # -Range: 0-300 -1.0000 Tb+++ + 1.0000 HCO3- = TbHCO3++ - -llnl_gamma 4.5 - log_k +1.6991 - -delta_H -14.6524 kJ/mol # Calculated enthalpy of reaction TbHCO3+2 +Tb+3 + HCO3- = TbHCO3+2 + -llnl_gamma 4.5 + log_k 1.6991 + -delta_H -14.6524 kJ/mol # Calculated enthalpy of reaction TbHCO3+2 # Enthalpy of formation: -335.3 kcal/mol - -analytic 1.7376e+001 2.8365e-002 1.6982e+003 -1.2044e+001 2.6494e+001 + -analytic 1.7376e+1 2.8365e-2 1.6982e+3 -1.2044e+1 2.6494e+1 # -Range: 0-300 -1.0000 Tb+++ + 1.0000 HPO4-- = TbHPO4+ - -llnl_gamma 4.0 - log_k +5.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction TbHPO4+ +Tb+3 + HPO4-2 = TbHPO4+ + -llnl_gamma 4 + log_k 5.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction TbHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Tb+++ + 1.0000 NO3- = TbNO3++ - -llnl_gamma 4.5 - log_k +0.5080 - -delta_H -31.2587 kJ/mol # Calculated enthalpy of reaction TbNO3+2 + +Tb+3 + NO3- = TbNO3+2 + -llnl_gamma 4.5 + log_k 0.508 + -delta_H -31.2587 kJ/mol # Calculated enthalpy of reaction TbNO3+2 # Enthalpy of formation: -223.8 kcal/mol - -analytic 8.7852e+000 2.4868e-002 2.5553e+003 -9.7944e+000 3.9871e+001 + -analytic 8.7852e+0 2.4868e-2 2.5553e+3 -9.7944e+0 3.9871e+1 # -Range: 0-300 -1.0000 Tb+++ + 1.0000 H2O = TbO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -16.1904 - -delta_H 109.692 kJ/mol # Calculated enthalpy of reaction TbO+ +Tb+3 + H2O = TbO+ + 2 H+ + -llnl_gamma 4 + log_k -16.1904 + -delta_H 109.692 kJ/mol # Calculated enthalpy of reaction TbO+ # Enthalpy of formation: -209 kcal/mol - -analytic 1.7975e+002 2.9563e-002 -1.3407e+004 -6.4573e+001 -2.0926e+002 + -analytic 1.7975e+2 2.9563e-2 -1.3407e+4 -6.4573e+1 -2.0926e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Tb+++ = TbO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -34.2134 - -delta_H 278.797 kJ/mol # Calculated enthalpy of reaction TbO2- +2 H2O + Tb+3 = TbO2- + 4 H+ + -llnl_gamma 4 + log_k -34.2134 + -delta_H 278.797 kJ/mol # Calculated enthalpy of reaction TbO2- # Enthalpy of formation: -236.9 kcal/mol - -analytic 1.6924e+002 1.1804e-002 -1.9821e+004 -5.6781e+001 -3.0933e+002 + -analytic 1.6924e+2 1.1804e-2 -1.9821e+4 -5.6781e+1 -3.0933e+2 +# -Range: 0-300 + +2 H2O + Tb+3 = TbO2H + 3 H+ + -llnl_gamma 3 + log_k -25.0508 + -delta_H 219.802 kJ/mol # Calculated enthalpy of reaction TbO2H +# Enthalpy of formation: -251 kcal/mol + -analytic 3.2761e+2 4.5225e-2 -2.2652e+4 -1.1727e+2 -3.5356e+2 +# -Range: 0-300 + +Tb+3 + H2O = TbOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.8342 + -delta_H 77.4751 kJ/mol # Calculated enthalpy of reaction TbOH+2 +# Enthalpy of formation: -216.7 kcal/mol + -analytic 5.9574e+1 1.1625e-2 -5.8143e+3 -2.0759e+1 -9.0744e+1 +# -Range: 0-300 + +Tb+3 + HPO4-2 = TbPO4 + H+ + -llnl_gamma 3 + log_k 0.0782 + -delta_H 0 # Not possible to calculate enthalpy of reaction TbPO4 +# Enthalpy of formation: -0 kcal/mol + +Tb+3 + SO4-2 = TbSO4+ + -llnl_gamma 4 + log_k 3.643 + -delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction TbSO4+ +# Enthalpy of formation: -379.6 kcal/mol + -analytic 2.9633e+2 8.5155e-2 -8.6346e+3 -1.1682e+2 -1.3482e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Tb+++ = TbO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -25.0508 - -delta_H 219.802 kJ/mol # Calculated enthalpy of reaction TbO2H -# Enthalpy of formation: -251 kcal/mol - -analytic 3.2761e+002 4.5225e-002 -2.2652e+004 -1.1727e+002 -3.5356e+002 -# -Range: 0-300 +2 H2O + TcO+2 = TcO(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -3.3221 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcO(OH)2 +# Enthalpy of formation: -0 kcal/mol -1.0000 Tb+++ + 1.0000 H2O = TbOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.8342 - -delta_H 77.4751 kJ/mol # Calculated enthalpy of reaction TbOH+2 -# Enthalpy of formation: -216.7 kcal/mol - -analytic 5.9574e+001 1.1625e-002 -5.8143e+003 -2.0759e+001 -9.0744e+001 -# -Range: 0-300 +TcO+2 + H2O = TcOOH+ + H+ + -llnl_gamma 4 + log_k -1.1355 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcOOH+ +# Enthalpy of formation: -0 kcal/mol -1.0000 Tb+++ + 1.0000 HPO4-- = TbPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k +0.0782 - -delta_H 0 # Not possible to calculate enthalpy of reaction TbPO4 +2 HPO4-2 + 2 H+ + Th+4 = Th(H2PO4)2+2 + -llnl_gamma 4.5 + log_k 23.207 + -delta_H 0 # Not possible to calculate enthalpy of reaction Th(H2PO4)2+2 # Enthalpy of formation: -0 kcal/mol - -1.0000 Tb+++ + 1.0000 SO4-- = TbSO4+ - -llnl_gamma 4.0 - log_k +3.6430 - -delta_H 19.6648 kJ/mol # Calculated enthalpy of reaction TbSO4+ -# Enthalpy of formation: -379.6 kcal/mol - -analytic 2.9633e+002 8.5155e-002 -8.6346e+003 -1.1682e+002 -1.3482e+002 -# -Range: 0-300 - -2.0000 H2O + 1.0000 TcO++ = TcO(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -3.3221 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcO(OH)2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 TcO++ + 1.0000 H2O = TcOOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -1.1355 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcOOH+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 2.0000 H+ + 1.0000 Th++++ = Th(H2PO4)2++ - -llnl_gamma 4.5 - log_k +23.2070 - -delta_H 0 # Not possible to calculate enthalpy of reaction Th(H2PO4)2+2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Th++++ = Th(HPO4)2 - -llnl_gamma 3.0 - log_k +22.6939 - -delta_H -13.644 kJ/mol # Calculated enthalpy of reaction Th(HPO4)2 + +2 HPO4-2 + Th+4 = Th(HPO4)2 + -llnl_gamma 3 + log_k 22.6939 + -delta_H -13.644 kJ/mol # Calculated enthalpy of reaction Th(HPO4)2 # Enthalpy of formation: -804.691 kcal/mol - -analytic 6.5208e+002 2.3099e-001 -1.2990e+004 -2.6457e+002 -2.2082e+002 + -analytic 6.5208e+2 2.3099e-1 -1.299e+4 -2.6457e+2 -2.2082e+2 # -Range: 0-200 -3.0000 HPO4-- + 1.0000 Th++++ = Th(HPO4)3-- - -llnl_gamma 4.0 - log_k +31.1894 - -delta_H 0 # Not possible to calculate enthalpy of reaction Th(HPO4)3-2 +3 HPO4-2 + Th+4 = Th(HPO4)3-2 + -llnl_gamma 4 + log_k 31.1894 + -delta_H 0 # Not possible to calculate enthalpy of reaction Th(HPO4)3-2 # Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Th++++ = Th(OH)2++ +2.0000 H+ - -llnl_gamma 4.5 - log_k -7.1068 - -delta_H 58.668 kJ/mol # Calculated enthalpy of reaction Th(OH)2+2 + +2 H2O + Th+4 = Th(OH)2+2 + 2 H+ + -llnl_gamma 4.5 + log_k -7.1068 + -delta_H 58.668 kJ/mol # Calculated enthalpy of reaction Th(OH)2+2 # Enthalpy of formation: -306.412 kcal/mol - -analytic -1.1274e+001 3.4195e-003 -3.7553e+002 3.1299e+000 -2.9696e+005 + -analytic -1.1274e+1 3.4195e-3 -3.7553e+2 3.1299e+0 -2.9696e+5 # -Range: 0-300 -3.0000 H2O + 1.0000 Th++++ = Th(OH)3+ +3.0000 H+ - -llnl_gamma 4.0 - log_k -11.8623 - -delta_H 86.1318 kJ/mol # Calculated enthalpy of reaction Th(OH)3+ +3 H2O + Th+4 = Th(OH)3+ + 3 H+ + -llnl_gamma 4 + log_k -11.8623 + -delta_H 86.1318 kJ/mol # Calculated enthalpy of reaction Th(OH)3+ # Enthalpy of formation: -368.165 kcal/mol -4.0000 H2O + 1.0000 Th++++ = Th(OH)4 +4.0000 H+ - -llnl_gamma 3.0 - log_k -16.0315 - -delta_H 104.01 kJ/mol # Calculated enthalpy of reaction Th(OH)4 +4 H2O + Th+4 = Th(OH)4 + 4 H+ + -llnl_gamma 3 + log_k -16.0315 + -delta_H 104.01 kJ/mol # Calculated enthalpy of reaction Th(OH)4 # Enthalpy of formation: -432.209 kcal/mol - -analytic 2.9534e+001 1.5550e-002 -5.6680e+003 -1.2598e+001 -9.6262e+001 + -analytic 2.9534e+1 1.555e-2 -5.668e+3 -1.2598e+1 -9.6262e+1 # -Range: 0-200 -2.0000 SO4-- + 1.0000 Th++++ = Th(SO4)2 - -llnl_gamma 3.0 - log_k +9.6170 - -delta_H 32.2377 kJ/mol # Calculated enthalpy of reaction Th(SO4)2 +2 SO4-2 + Th+4 = Th(SO4)2 + -llnl_gamma 3 + log_k 9.617 + -delta_H 32.2377 kJ/mol # Calculated enthalpy of reaction Th(SO4)2 # Enthalpy of formation: -610.895 kcal/mol - -analytic 4.6425e+002 1.6769e-001 -1.1195e+004 -1.8875e+002 -1.9027e+002 + -analytic 4.6425e+2 1.6769e-1 -1.1195e+4 -1.8875e+2 -1.9027e+2 # -Range: 0-200 -3.0000 SO4-- + 1.0000 Th++++ = Th(SO4)3-- - -llnl_gamma 4.0 - log_k +10.4014 - -delta_H 0 # Not possible to calculate enthalpy of reaction Th(SO4)3-2 +3 SO4-2 + Th+4 = Th(SO4)3-2 + -llnl_gamma 4 + log_k 10.4014 + -delta_H 0 # Not possible to calculate enthalpy of reaction Th(SO4)3-2 # Enthalpy of formation: -0 kcal/mol - -4.0000 SO4-- + 1.0000 Th++++ = Th(SO4)4---- - -llnl_gamma 4.0 - log_k +8.4003 - -delta_H 0 # Not possible to calculate enthalpy of reaction Th(SO4)4-4 + +4 SO4-2 + Th+4 = Th(SO4)4-4 + -llnl_gamma 4 + log_k 8.4003 + -delta_H 0 # Not possible to calculate enthalpy of reaction Th(SO4)4-4 # Enthalpy of formation: -0 kcal/mol - -2.0000 Th++++ + 2.0000 H2O = Th2(OH)2+6 +2.0000 H+ - -llnl_gamma 6.0 - log_k -6.4618 - -delta_H 63.7181 kJ/mol # Calculated enthalpy of reaction Th2(OH)2+6 + +2 Th+4 + 2 H2O = Th2(OH)2+6 + 2 H+ + -llnl_gamma 6 + log_k -6.4618 + -delta_H 63.7181 kJ/mol # Calculated enthalpy of reaction Th2(OH)2+6 # Enthalpy of formation: -489.005 kcal/mol - -analytic 6.8838e+001 -4.1348e-003 -6.4415e+003 -2.1200e+001 -1.0053e+002 + -analytic 6.8838e+1 -4.1348e-3 -6.4415e+3 -2.12e+1 -1.0053e+2 # -Range: 0-300 -8.0000 H2O + 4.0000 Th++++ = Th4(OH)8+8 +8.0000 H+ - -llnl_gamma 6.0 - log_k -21.7568 - -delta_H 245.245 kJ/mol # Calculated enthalpy of reaction Th4(OH)8+8 +8 H2O + 4 Th+4 = Th4(OH)8+8 + 8 H+ + -llnl_gamma 6 + log_k -21.7568 + -delta_H 245.245 kJ/mol # Calculated enthalpy of reaction Th4(OH)8+8 # Enthalpy of formation: -1223.12 kcal/mol - -analytic 2.7826e+002 -2.3504e-003 -2.4410e+004 -8.7873e+001 -3.8097e+002 + -analytic 2.7826e+2 -2.3504e-3 -2.441e+4 -8.7873e+1 -3.8097e+2 # -Range: 0-300 -15.0000 H2O + 6.0000 Th++++ = Th6(OH)15+9 +15.0000 H+ - -llnl_gamma 6.0 - log_k -37.7027 - -delta_H 458.248 kJ/mol # Calculated enthalpy of reaction Th6(OH)15+9 +15 H2O + 6 Th+4 = Th6(OH)15+9 + 15 H+ + -llnl_gamma 6 + log_k -37.7027 + -delta_H 458.248 kJ/mol # Calculated enthalpy of reaction Th6(OH)15+9 # Enthalpy of formation: -2018.03 kcal/mol - -analytic 5.2516e+002 3.3015e-003 -4.5237e+004 -1.6654e+002 -7.0603e+002 + -analytic 5.2516e+2 3.3015e-3 -4.5237e+4 -1.6654e+2 -7.0603e+2 # -Range: 0-300 -1.0000 Th++++ + 1.0000 Cl- = ThCl+++ - -llnl_gamma 5.0 - log_k +0.9536 - -delta_H 0.06276 kJ/mol # Calculated enthalpy of reaction ThCl+3 +Th+4 + Cl- = ThCl+3 + -llnl_gamma 5 + log_k 0.9536 + -delta_H 0.06276 kJ/mol # Calculated enthalpy of reaction ThCl+3 # Enthalpy of formation: -223.718 kcal/mol - -analytic 9.7430e+001 3.9398e-002 -1.8653e+003 -4.1202e+001 -2.9135e+001 -# -Range: 0-300 - -2.0000 Cl- + 1.0000 Th++++ = ThCl2++ - -llnl_gamma 4.5 - log_k +0.6758 - -delta_H 0 # Not possible to calculate enthalpy of reaction ThCl2+2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 Cl- + 1.0000 Th++++ = ThCl3+ - -llnl_gamma 4.0 - log_k +1.4975 - -delta_H 0 # Not possible to calculate enthalpy of reaction ThCl3+ -# Enthalpy of formation: -0 kcal/mol - -4.0000 Cl- + 1.0000 Th++++ = ThCl4 - -llnl_gamma 3.0 - log_k +1.0731 - -delta_H 0 # Not possible to calculate enthalpy of reaction ThCl4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Th++++ + 1.0000 F- = ThF+++ - -llnl_gamma 5.0 - log_k +7.8725 - -delta_H -4.87436 kJ/mol # Calculated enthalpy of reaction ThF+3 + -analytic 9.743e+1 3.9398e-2 -1.8653e+3 -4.1202e+1 -2.9135e+1 +# -Range: 0-300 + +2 Cl- + Th+4 = ThCl2+2 + -llnl_gamma 4.5 + log_k 0.6758 + -delta_H 0 # Not possible to calculate enthalpy of reaction ThCl2+2 +# Enthalpy of formation: -0 kcal/mol + +3 Cl- + Th+4 = ThCl3+ + -llnl_gamma 4 + log_k 1.4975 + -delta_H 0 # Not possible to calculate enthalpy of reaction ThCl3+ +# Enthalpy of formation: -0 kcal/mol + +4 Cl- + Th+4 = ThCl4 + -llnl_gamma 3 + log_k 1.0731 + -delta_H 0 # Not possible to calculate enthalpy of reaction ThCl4 +# Enthalpy of formation: -0 kcal/mol + +Th+4 + F- = ThF+3 + -llnl_gamma 5 + log_k 7.8725 + -delta_H -4.87436 kJ/mol # Calculated enthalpy of reaction ThF+3 # Enthalpy of formation: -265.115 kcal/mol - -analytic 1.1679e+002 3.9201e-002 -2.2118e+003 -4.5736e+001 -3.4548e+001 + -analytic 1.1679e+2 3.9201e-2 -2.2118e+3 -4.5736e+1 -3.4548e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Th++++ = ThF2++ - -llnl_gamma 4.5 - log_k +14.0884 - -delta_H -7.77806 kJ/mol # Calculated enthalpy of reaction ThF2+2 +2 F- + Th+4 = ThF2+2 + -llnl_gamma 4.5 + log_k 14.0884 + -delta_H -7.77806 kJ/mol # Calculated enthalpy of reaction ThF2+2 # Enthalpy of formation: -345.959 kcal/mol - -analytic 2.3200e+002 7.9567e-002 -4.4418e+003 -9.1617e+001 -6.9379e+001 + -analytic 2.32e+2 7.9567e-2 -4.4418e+3 -9.1617e+1 -6.9379e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Th++++ = ThF3+ - -llnl_gamma 4.0 - log_k +18.7357 - -delta_H -11.7068 kJ/mol # Calculated enthalpy of reaction ThF3+ +3 F- + Th+4 = ThF3+ + -llnl_gamma 4 + log_k 18.7357 + -delta_H -11.7068 kJ/mol # Calculated enthalpy of reaction ThF3+ # Enthalpy of formation: -427.048 kcal/mol - -analytic 3.4511e+002 1.2149e-001 -6.5065e+003 -1.3770e+002 -1.0163e+002 + -analytic 3.4511e+2 1.2149e-1 -6.5065e+3 -1.377e+2 -1.0163e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Th++++ = ThF4 - -llnl_gamma 3.0 - log_k +22.1515 - -delta_H -14.8448 kJ/mol # Calculated enthalpy of reaction ThF4 +4 F- + Th+4 = ThF4 + -llnl_gamma 3 + log_k 22.1515 + -delta_H -14.8448 kJ/mol # Calculated enthalpy of reaction ThF4 # Enthalpy of formation: -507.948 kcal/mol - -analytic 6.1206e+002 2.1878e-001 -1.1938e+004 -2.4857e+002 -2.0294e+002 + -analytic 6.1206e+2 2.1878e-1 -1.1938e+4 -2.4857e+2 -2.0294e+2 # -Range: 0-200 -1.0000 Th++++ + 1.0000 HPO4-- + 1.0000 H+ = ThH2PO4+++ - -llnl_gamma 5.0 - log_k +11.7061 - -delta_H 0 # Not possible to calculate enthalpy of reaction ThH2PO4+3 +Th+4 + HPO4-2 + H+ = ThH2PO4+3 + -llnl_gamma 5 + log_k 11.7061 + -delta_H 0 # Not possible to calculate enthalpy of reaction ThH2PO4+3 # Enthalpy of formation: -0 kcal/mol - -2.0000 H+ + 1.0000 Th++++ + 1.0000 HPO4-- = ThH3PO4++++ - -llnl_gamma 5.5 - log_k +11.1197 - -delta_H 0 # Not possible to calculate enthalpy of reaction ThH3PO4+4 + +2 H+ + Th+4 + HPO4-2 = ThH3PO4+4 + -llnl_gamma 5.5 + log_k 11.1197 + -delta_H 0 # Not possible to calculate enthalpy of reaction ThH3PO4+4 # Enthalpy of formation: -0 kcal/mol - -1.0000 Th++++ + 1.0000 HPO4-- = ThHPO4++ - -llnl_gamma 4.5 - log_k +10.6799 - -delta_H 0.1046 kJ/mol # Calculated enthalpy of reaction ThHPO4+2 + +Th+4 + HPO4-2 = ThHPO4+2 + -llnl_gamma 4.5 + log_k 10.6799 + -delta_H 0.1046 kJ/mol # Calculated enthalpy of reaction ThHPO4+2 # Enthalpy of formation: -492.59 kcal/mol -1.0000 Th++++ + 1.0000 H2O = ThOH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -3.8871 - -delta_H 25.0275 kJ/mol # Calculated enthalpy of reaction ThOH+3 +Th+4 + H2O = ThOH+3 + H+ + -llnl_gamma 5 + log_k -3.8871 + -delta_H 25.0275 kJ/mol # Calculated enthalpy of reaction ThOH+3 # Enthalpy of formation: -1029.83 kJ/mol - -analytic 1.0495e+001 5.1532e-003 -8.6396e+002 -4.8420e+000 -9.2609e+004 + -analytic 1.0495e+1 5.1532e-3 -8.6396e+2 -4.842e+0 -9.2609e+4 # -Range: 0-300 -1.0000 Th++++ + 1.0000 SO4-- = ThSO4++ - -llnl_gamma 4.5 - log_k +5.3143 - -delta_H 16.3511 kJ/mol # Calculated enthalpy of reaction ThSO4+2 +Th+4 + SO4-2 = ThSO4+2 + -llnl_gamma 4.5 + log_k 5.3143 + -delta_H 16.3511 kJ/mol # Calculated enthalpy of reaction ThSO4+2 # Enthalpy of formation: -397.292 kcal/mol - -analytic 1.9443e+002 7.5245e-002 -4.5010e+003 -7.9379e+001 -7.0291e+001 + -analytic 1.9443e+2 7.5245e-2 -4.501e+3 -7.9379e+1 -7.0291e+1 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Tl+ = Tl(Acetate)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -10.0129 - -delta_H 1.2552 kJ/mol # Calculated enthalpy of reaction Tl(Acetate)2- +2 HAcetate + Tl+ = Tl(Acetate)2- + 2 H+ + -llnl_gamma 4 + log_k -10.0129 + -delta_H 1.2552 kJ/mol # Calculated enthalpy of reaction Tl(Acetate)2- # Enthalpy of formation: -230.62 kcal/mol - -analytic -1.8123e+002 -4.0616e-002 5.0741e+003 6.7216e+001 7.9229e+001 + -analytic -1.8123e+2 -4.0616e-2 5.0741e+3 6.7216e+1 7.9229e+1 # -Range: 0-300 -1.0000 Tl+ + 1.0000 HAcetate = TlAcetate +1.0000 H+ - -llnl_gamma 3.0 - log_k -4.8672 - -delta_H 6.15048 kJ/mol # Calculated enthalpy of reaction TlAcetate +Tl+ + HAcetate = TlAcetate + H+ + -llnl_gamma 3 + log_k -4.8672 + -delta_H 6.15048 kJ/mol # Calculated enthalpy of reaction TlAcetate # Enthalpy of formation: -113.35 kcal/mol - -analytic 9.2977e+000 -3.4368e-003 -2.1748e+003 -3.1454e+000 1.7273e+005 + -analytic 9.2977e+0 -3.4368e-3 -2.1748e+3 -3.1454e+0 1.7273e+5 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Tm+++ = Tm(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.9844 - -delta_H -32.5934 kJ/mol # Calculated enthalpy of reaction Tm(Acetate)2+ +2 HAcetate + Tm+3 = Tm(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.9844 + -delta_H -32.5934 kJ/mol # Calculated enthalpy of reaction Tm(Acetate)2+ # Enthalpy of formation: -408.49 kcal/mol - -analytic -2.8983e+001 2.0256e-003 -1.1525e+003 8.2163e+000 6.1820e+005 + -analytic -2.8983e+1 2.0256e-3 -1.1525e+3 8.2163e+0 6.182e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Tm+++ = Tm(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.3783 - -delta_H -54.8104 kJ/mol # Calculated enthalpy of reaction Tm(Acetate)3 +3 HAcetate + Tm+3 = Tm(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.3783 + -delta_H -54.8104 kJ/mol # Calculated enthalpy of reaction Tm(Acetate)3 # Enthalpy of formation: -529.9 kcal/mol - -analytic -2.8900e+001 4.9633e-003 -1.6574e+003 6.0186e+000 8.6624e+005 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 Tm+++ = Tm(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.1576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Tm+++ = Tm(HPO4)2- - -llnl_gamma 4.0 - log_k +10.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(HPO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Tm+++ = Tm(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.0437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Tm+++ = Tm(SO4)2- - -llnl_gamma 4.0 - log_k +5.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Tm+++ + 1.0000 HAcetate = TmAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.1184 - -delta_H -16.3176 kJ/mol # Calculated enthalpy of reaction TmAcetate+2 + -analytic -2.89e+1 4.9633e-3 -1.6574e+3 6.0186e+0 8.6624e+5 +# -Range: 0-300 + +2 HCO3- + Tm+3 = Tm(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.1576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Tm+3 = Tm(HPO4)2- + -llnl_gamma 4 + log_k 10.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Tm+3 = Tm(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -3.0437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Tm+3 = Tm(SO4)2- + -llnl_gamma 4 + log_k 5.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Tm+3 + HAcetate = TmAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.1184 + -delta_H -16.3176 kJ/mol # Calculated enthalpy of reaction TmAcetate+2 # Enthalpy of formation: -288.5 kcal/mol - -analytic -1.6068e+001 1.2043e-003 -6.2777e+002 4.8318e+000 3.3363e+005 + -analytic -1.6068e+1 1.2043e-3 -6.2777e+2 4.8318e+0 3.3363e+5 # -Range: 0-300 -1.0000 Tm+++ + 1.0000 HCO3- = TmCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.1125 - -delta_H 86.6004 kJ/mol # Calculated enthalpy of reaction TmCO3+ +Tm+3 + HCO3- = TmCO3+ + H+ + -llnl_gamma 4 + log_k -2.1125 + -delta_H 86.6004 kJ/mol # Calculated enthalpy of reaction TmCO3+ # Enthalpy of formation: -312.7 kcal/mol - -analytic 2.3889e+002 5.4733e-002 -6.9382e+003 -9.4581e+001 -1.0833e+002 + -analytic 2.3889e+2 5.4733e-2 -6.9382e+3 -9.4581e+1 -1.0833e+2 # -Range: 0-300 -1.0000 Tm+++ + 1.0000 Cl- = TmCl++ - -llnl_gamma 4.5 - log_k +0.2353 - -delta_H 13.1085 kJ/mol # Calculated enthalpy of reaction TmCl+2 +Tm+3 + Cl- = TmCl+2 + -llnl_gamma 4.5 + log_k 0.2353 + -delta_H 13.1085 kJ/mol # Calculated enthalpy of reaction TmCl+2 # Enthalpy of formation: -205.3 kcal/mol - -analytic 7.4795e+001 3.7655e-002 -1.5701e+003 -3.2531e+001 -2.4523e+001 + -analytic 7.4795e+1 3.7655e-2 -1.5701e+3 -3.2531e+1 -2.4523e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Tm+++ = TmCl2+ - -llnl_gamma 4.0 - log_k -0.0425 - -delta_H 15.7569 kJ/mol # Calculated enthalpy of reaction TmCl2+ +2 Cl- + Tm+3 = TmCl2+ + -llnl_gamma 4 + log_k -0.0425 + -delta_H 15.7569 kJ/mol # Calculated enthalpy of reaction TmCl2+ # Enthalpy of formation: -244.6 kcal/mol - -analytic 2.0352e+002 7.9173e-002 -4.8574e+003 -8.5202e+001 -7.5855e+001 + -analytic 2.0352e+2 7.9173e-2 -4.8574e+3 -8.5202e+1 -7.5855e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Tm+++ = TmCl3 - -llnl_gamma 3.0 - log_k -0.4669 - -delta_H 5.43502 kJ/mol # Calculated enthalpy of reaction TmCl3 +3 Cl- + Tm+3 = TmCl3 + -llnl_gamma 3 + log_k -0.4669 + -delta_H 5.43502 kJ/mol # Calculated enthalpy of reaction TmCl3 # Enthalpy of formation: -287 kcal/mol - -analytic 3.9793e+002 1.2777e-001 -1.0070e+004 -1.6272e+002 -1.5725e+002 + -analytic 3.9793e+2 1.2777e-1 -1.007e+4 -1.6272e+2 -1.5725e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Tm+++ = TmCl4- - -llnl_gamma 4.0 - log_k -0.8913 - -delta_H -20.3677 kJ/mol # Calculated enthalpy of reaction TmCl4- +4 Cl- + Tm+3 = TmCl4- + -llnl_gamma 4 + log_k -0.8913 + -delta_H -20.3677 kJ/mol # Calculated enthalpy of reaction TmCl4- # Enthalpy of formation: -333.1 kcal/mol - -analytic 4.3574e+002 1.2655e-001 -1.0713e+004 -1.7716e+002 -1.6730e+002 + -analytic 4.3574e+2 1.2655e-1 -1.0713e+4 -1.7716e+2 -1.673e+2 # -Range: 0-300 -1.0000 Tm+++ + 1.0000 F- = TmF++ - -llnl_gamma 4.5 - log_k +4.8085 - -delta_H 23.6396 kJ/mol # Calculated enthalpy of reaction TmF+2 +Tm+3 + F- = TmF+2 + -llnl_gamma 4.5 + log_k 4.8085 + -delta_H 23.6396 kJ/mol # Calculated enthalpy of reaction TmF+2 # Enthalpy of formation: -243 kcal/mol - -analytic 9.7686e+001 4.1890e-002 -2.5909e+003 -3.9059e+001 -4.0457e+001 + -analytic 9.7686e+1 4.189e-2 -2.5909e+3 -3.9059e+1 -4.0457e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Tm+++ = TmF2+ - -llnl_gamma 4.0 - log_k +8.3709 - -delta_H 12.552 kJ/mol # Calculated enthalpy of reaction TmF2+ +2 F- + Tm+3 = TmF2+ + -llnl_gamma 4 + log_k 8.3709 + -delta_H 12.552 kJ/mol # Calculated enthalpy of reaction TmF2+ # Enthalpy of formation: -325.8 kcal/mol - -analytic 2.2986e+002 8.4119e-002 -5.2144e+003 -9.2558e+001 -8.1433e+001 + -analytic 2.2986e+2 8.4119e-2 -5.2144e+3 -9.2558e+1 -8.1433e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Tm+++ = TmF3 - -llnl_gamma 3.0 - log_k +10.9804 - -delta_H -12.7612 kJ/mol # Calculated enthalpy of reaction TmF3 +3 F- + Tm+3 = TmF3 + -llnl_gamma 3 + log_k 10.9804 + -delta_H -12.7612 kJ/mol # Calculated enthalpy of reaction TmF3 # Enthalpy of formation: -412 kcal/mol - -analytic 4.2855e+002 1.3445e-001 -9.7045e+003 -1.7177e+002 -1.5156e+002 + -analytic 4.2855e+2 1.3445e-1 -9.7045e+3 -1.7177e+2 -1.5156e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Tm+++ = TmF4- - -llnl_gamma 4.0 - log_k +13.1501 - -delta_H -60.668 kJ/mol # Calculated enthalpy of reaction TmF4- +4 F- + Tm+3 = TmF4- + -llnl_gamma 4 + log_k 13.1501 + -delta_H -60.668 kJ/mol # Calculated enthalpy of reaction TmF4- # Enthalpy of formation: -503.6 kcal/mol - -analytic 4.6559e+002 1.3386e-001 -9.1790e+003 -1.8650e+002 -1.4337e+002 + -analytic 4.6559e+2 1.3386e-1 -9.179e+3 -1.865e+2 -1.4337e+2 # -Range: 0-300 -1.0000 Tm+++ + 1.0000 HPO4-- + 1.0000 H+ = TmH2PO4++ - -llnl_gamma 4.5 - log_k +9.4484 - -delta_H -20.4388 kJ/mol # Calculated enthalpy of reaction TmH2PO4+2 +Tm+3 + HPO4-2 + H+ = TmH2PO4+2 + -llnl_gamma 4.5 + log_k 9.4484 + -delta_H -20.4388 kJ/mol # Calculated enthalpy of reaction TmH2PO4+2 # Enthalpy of formation: -482.2 kcal/mol - -analytic 1.0360e+002 6.3085e-002 6.0731e+002 -4.6456e+001 9.4456e+000 + -analytic 1.036e+2 6.3085e-2 6.0731e+2 -4.6456e+1 9.4456e+0 # -Range: 0-300 -1.0000 Tm+++ + 1.0000 HCO3- = TmHCO3++ - -llnl_gamma 4.5 - log_k +1.7724 - -delta_H 5.01243 kJ/mol # Calculated enthalpy of reaction TmHCO3+2 +Tm+3 + HCO3- = TmHCO3+2 + -llnl_gamma 4.5 + log_k 1.7724 + -delta_H 5.01243 kJ/mol # Calculated enthalpy of reaction TmHCO3+2 # Enthalpy of formation: -332.2 kcal/mol - -analytic 3.3102e+001 3.1010e-002 2.9880e+002 -1.6791e+001 4.6524e+000 + -analytic 3.3102e+1 3.101e-2 2.988e+2 -1.6791e+1 4.6524e+0 # -Range: 0-300 -1.0000 Tm+++ + 1.0000 HPO4-- = TmHPO4+ - -llnl_gamma 4.0 - log_k +5.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction TmHPO4+ +Tm+3 + HPO4-2 = TmHPO4+ + -llnl_gamma 4 + log_k 5.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction TmHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Tm+++ + 1.0000 NO3- = TmNO3++ - -llnl_gamma 4.5 - log_k +0.2148 - -delta_H -33.7691 kJ/mol # Calculated enthalpy of reaction TmNO3+2 + +Tm+3 + NO3- = TmNO3+2 + -llnl_gamma 4.5 + log_k 0.2148 + -delta_H -33.7691 kJ/mol # Calculated enthalpy of reaction TmNO3+2 # Enthalpy of formation: -226 kcal/mol - -analytic 1.1085e+001 2.4898e-002 2.5664e+003 -1.0861e+001 4.0043e+001 + -analytic 1.1085e+1 2.4898e-2 2.5664e+3 -1.0861e+1 4.0043e+1 # -Range: 0-300 -1.0000 Tm+++ + 1.0000 H2O = TmO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -15.8972 - -delta_H 105.508 kJ/mol # Calculated enthalpy of reaction TmO+ +Tm+3 + H2O = TmO+ + 2 H+ + -llnl_gamma 4 + log_k -15.8972 + -delta_H 105.508 kJ/mol # Calculated enthalpy of reaction TmO+ # Enthalpy of formation: -211.6 kcal/mol - -analytic 1.7572e+002 2.8756e-002 -1.3096e+004 -6.3150e+001 -2.0441e+002 + -analytic 1.7572e+2 2.8756e-2 -1.3096e+4 -6.315e+1 -2.0441e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Tm+++ = TmO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -32.6741 - -delta_H 266.663 kJ/mol # Calculated enthalpy of reaction TmO2- +2 H2O + Tm+3 = TmO2- + 4 H+ + -llnl_gamma 4 + log_k -32.6741 + -delta_H 266.663 kJ/mol # Calculated enthalpy of reaction TmO2- # Enthalpy of formation: -241.4 kcal/mol - -analytic 3.3118e+001 -5.2802e-003 -1.1318e+004 -8.4764e+000 -4.6998e+005 + -analytic 3.3118e+1 -5.2802e-3 -1.1318e+4 -8.4764e+0 -4.6998e+5 # -Range: 0-300 -2.0000 H2O + 1.0000 Tm+++ = TmO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -24.1712 - -delta_H 211.853 kJ/mol # Calculated enthalpy of reaction TmO2H +2 H2O + Tm+3 = TmO2H + 3 H+ + -llnl_gamma 3 + log_k -24.1712 + -delta_H 211.853 kJ/mol # Calculated enthalpy of reaction TmO2H # Enthalpy of formation: -254.5 kcal/mol - -analytic 3.1648e+002 4.4527e-002 -2.1821e+004 -1.1345e+002 -3.4059e+002 + -analytic 3.1648e+2 4.4527e-2 -2.1821e+4 -1.1345e+2 -3.4059e+2 # -Range: 0-300 -1.0000 Tm+++ + 1.0000 H2O = TmOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.6876 - -delta_H 74.5463 kJ/mol # Calculated enthalpy of reaction TmOH+2 +Tm+3 + H2O = TmOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.6876 + -delta_H 74.5463 kJ/mol # Calculated enthalpy of reaction TmOH+2 # Enthalpy of formation: -219 kcal/mol - -analytic 5.7572e+001 1.1162e-002 -5.6381e+003 -2.0074e+001 -8.7994e+001 + -analytic 5.7572e+1 1.1162e-2 -5.6381e+3 -2.0074e+1 -8.7994e+1 # -Range: 0-300 -1.0000 Tm+++ + 1.0000 HPO4-- = TmPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k +0.4782 - -delta_H 0 # Not possible to calculate enthalpy of reaction TmPO4 +Tm+3 + HPO4-2 = TmPO4 + H+ + -llnl_gamma 3 + log_k 0.4782 + -delta_H 0 # Not possible to calculate enthalpy of reaction TmPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 Tm+++ + 1.0000 SO4-- = TmSO4+ - -llnl_gamma 4.0 - log_k +3.5697 - -delta_H 19.9995 kJ/mol # Calculated enthalpy of reaction TmSO4+ + +Tm+3 + SO4-2 = TmSO4+ + -llnl_gamma 4 + log_k 3.5697 + -delta_H 19.9995 kJ/mol # Calculated enthalpy of reaction TmSO4+ # Enthalpy of formation: -381.12 kcal/mol - -analytic 3.0441e+002 8.6070e-002 -8.9592e+003 -1.1979e+002 -1.3989e+002 + -analytic 3.0441e+2 8.607e-2 -8.9592e+3 -1.1979e+2 -1.3989e+2 # -Range: 0-300 -4.0000 HCO3- + 1.0000 U++++ = U(CO3)4---- +4.0000 H+ - -llnl_gamma 4.0 - log_k -6.2534 - -delta_H 0 # Not possible to calculate enthalpy of reaction U(CO3)4-4 +4 HCO3- + U+4 = U(CO3)4-4 + 4 H+ + -llnl_gamma 4 + log_k -6.2534 + -delta_H 0 # Not possible to calculate enthalpy of reaction U(CO3)4-4 # Enthalpy of formation: -0 kcal/mol - -5.0000 HCO3- + 1.0000 U++++ = U(CO3)5-6 +5.0000 H+ - -llnl_gamma 4.0 - log_k -17.7169 - -delta_H 53.5172 kJ/mol # Calculated enthalpy of reaction U(CO3)5-6 + +5 HCO3- + U+4 = U(CO3)5-6 + 5 H+ + -llnl_gamma 4 + log_k -17.7169 + -delta_H 53.5172 kJ/mol # Calculated enthalpy of reaction U(CO3)5-6 # Enthalpy of formation: -3987.35 kJ/mol - -analytic 6.3020e+002 1.9391e-001 -1.9238e+004 -2.5912e+002 -3.0038e+002 + -analytic 6.302e+2 1.9391e-1 -1.9238e+4 -2.5912e+2 -3.0038e+2 # -Range: 0-300 -2.0000 NO3- + 1.0000 U++++ = U(NO3)2++ - -llnl_gamma 4.5 - log_k +2.2610 - -delta_H 0 # Not possible to calculate enthalpy of reaction U(NO3)2+2 +2 NO3- + U+4 = U(NO3)2+2 + -llnl_gamma 4.5 + log_k 2.261 + -delta_H 0 # Not possible to calculate enthalpy of reaction U(NO3)2+2 # Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 U++++ = U(OH)4 +4.0000 H+ - -llnl_gamma 3.0 - log_k -4.57 - -delta_H 78.7553 kJ/mol # Calculated enthalpy of reaction U(OH)4 + +4 H2O + U+4 = U(OH)4 + 4 H+ + -llnl_gamma 3 + log_k -4.57 + -delta_H 78.7553 kJ/mol # Calculated enthalpy of reaction U(OH)4 # Enthalpy of formation: -1655.8 kJ/mol - -analytic 2.6685e+002 9.8204e-002 -9.4428e+003 -1.0871e+002 -1.6045e+002 + -analytic 2.6685e+2 9.8204e-2 -9.4428e+3 -1.0871e+2 -1.6045e+2 # -Range: 0-200 -2.0000 Thiocyanate- + 1.0000 U++++ = U(Thiocyanate)2++ - -llnl_gamma 4.5 - log_k +4.2600 - -delta_H 0 # Not possible to calculate enthalpy of reaction U(Thiocyanate)2+2 +2 Thiocyanate- + U+4 = U(Thiocyanate)2+2 + -llnl_gamma 4.5 + log_k 4.26 + -delta_H 0 # Not possible to calculate enthalpy of reaction U(Thiocyanate)2+2 # Enthalpy of formation: -456.4 kJ/mol - -analytic 6.2193e+000 2.7673e-002 2.4326e+003 -7.4158e+000 3.7957e+001 + -analytic 6.2193e+0 2.7673e-2 2.4326e+3 -7.4158e+0 3.7957e+1 # -Range: 0-300 -2.0000 SO4-- + 1.0000 U++++ = U(SO4)2 - -llnl_gamma 3.0 - log_k +10.3507 - -delta_H 33.2232 kJ/mol # Calculated enthalpy of reaction U(SO4)2 +2 SO4-2 + U+4 = U(SO4)2 + -llnl_gamma 3 + log_k 10.3507 + -delta_H 33.2232 kJ/mol # Calculated enthalpy of reaction U(SO4)2 # Enthalpy of formation: -2377.18 kJ/mol - -analytic 4.9476e+002 1.7832e-001 -1.1901e+004 -2.0111e+002 -2.0227e+002 + -analytic 4.9476e+2 1.7832e-1 -1.1901e+4 -2.0111e+2 -2.0227e+2 # -Range: 0-200 -1.0000 U++++ + 1.0000 Br- = UBr+++ - -llnl_gamma 5.0 - log_k +1.4240 - -delta_H 0 # Not possible to calculate enthalpy of reaction UBr+3 +U+4 + Br- = UBr+3 + -llnl_gamma 5 + log_k 1.424 + -delta_H 0 # Not possible to calculate enthalpy of reaction UBr+3 # Enthalpy of formation: -0 kcal/mol - -1.0000 U++++ + 1.0000 Cl- = UCl+++ - -llnl_gamma 5.0 - log_k +1.7073 - -delta_H -18.9993 kJ/mol # Calculated enthalpy of reaction UCl+3 + +U+4 + Cl- = UCl+3 + -llnl_gamma 5 + log_k 1.7073 + -delta_H -18.9993 kJ/mol # Calculated enthalpy of reaction UCl+3 # Enthalpy of formation: -777.279 kJ/mol - -analytic 9.4418e+001 4.1718e-002 -7.0675e+002 -4.1532e+001 -1.1056e+001 + -analytic 9.4418e+1 4.1718e-2 -7.0675e+2 -4.1532e+1 -1.1056e+1 # -Range: 0-300 -1.0000 U++++ + 1.0000 F- = UF+++ - -llnl_gamma 5.0 - log_k +9.2403 - -delta_H -5.6024 kJ/mol # Calculated enthalpy of reaction UF+3 +U+4 + F- = UF+3 + -llnl_gamma 5 + log_k 9.2403 + -delta_H -5.6024 kJ/mol # Calculated enthalpy of reaction UF+3 # Enthalpy of formation: -932.15 kJ/mol - -analytic 1.1828e+002 3.8097e-002 -2.2531e+003 -4.5594e+001 -3.5193e+001 + -analytic 1.1828e+2 3.8097e-2 -2.2531e+3 -4.5594e+1 -3.5193e+1 # -Range: 0-300 -2.0000 F- + 1.0000 U++++ = UF2++ - -llnl_gamma 4.5 - log_k +16.1505 - -delta_H -3.5048 kJ/mol # Calculated enthalpy of reaction UF2+2 +2 F- + U+4 = UF2+2 + -llnl_gamma 4.5 + log_k 16.1505 + -delta_H -3.5048 kJ/mol # Calculated enthalpy of reaction UF2+2 # Enthalpy of formation: -1265.4 kJ/mol - -analytic 2.3537e+002 7.7064e-002 -4.8455e+003 -9.1296e+001 -7.5679e+001 + -analytic 2.3537e+2 7.7064e-2 -4.8455e+3 -9.1296e+1 -7.5679e+1 # -Range: 0-300 -3.0000 F- + 1.0000 U++++ = UF3+ - -llnl_gamma 4.0 - log_k +21.4806 - -delta_H 0.4938 kJ/mol # Calculated enthalpy of reaction UF3+ +3 F- + U+4 = UF3+ + -llnl_gamma 4 + log_k 21.4806 + -delta_H 0.4938 kJ/mol # Calculated enthalpy of reaction UF3+ # Enthalpy of formation: -1596.75 kJ/mol - -analytic 3.5097e+002 1.1714e-001 -7.4569e+003 -1.3714e+002 -1.1646e+002 + -analytic 3.5097e+2 1.1714e-1 -7.4569e+3 -1.3714e+2 -1.1646e+2 # -Range: 0-300 -4.0000 F- + 1.0000 U++++ = UF4 - -llnl_gamma 3.0 - log_k +25.4408 - -delta_H -4.2146 kJ/mol # Calculated enthalpy of reaction UF4 +4 F- + U+4 = UF4 + -llnl_gamma 3 + log_k 25.4408 + -delta_H -4.2146 kJ/mol # Calculated enthalpy of reaction UF4 # Enthalpy of formation: -1936.81 kJ/mol - -analytic 7.8549e+002 2.7922e-001 -1.6213e+004 -3.1881e+002 -2.7559e+002 -# -Range: 0-200 - -5.0000 F- + 1.0000 U++++ = UF5- - -llnl_gamma 4.0 - log_k +26.8110 - -delta_H 0 # Not possible to calculate enthalpy of reaction UF5- -# Enthalpy of formation: -0 kcal/mol - -6.0000 F- + 1.0000 U++++ = UF6-- - -llnl_gamma 4.0 - log_k +28.8412 - -delta_H 0 # Not possible to calculate enthalpy of reaction UF6-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 U++++ + 1.0000 I- = UI+++ - -llnl_gamma 5.0 - log_k +1.2151 - -delta_H 0 # Not possible to calculate enthalpy of reaction UI+3 -# Enthalpy of formation: -0 kcal/mol - -1.0000 U++++ + 1.0000 NO3- = UNO3+++ - -llnl_gamma 5.0 - log_k +1.4506 - -delta_H 0 # Not possible to calculate enthalpy of reaction UNO3+3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 HCO3- + 1.0000 UO2++ = UO2(CO3)2-- +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.7467 - -delta_H 47.9065 kJ/mol # Calculated enthalpy of reaction UO2(CO3)2-2 + -analytic 7.8549e+2 2.7922e-1 -1.6213e+4 -3.1881e+2 -2.7559e+2 +# -Range: 0-200 + +5 F- + U+4 = UF5- + -llnl_gamma 4 + log_k 26.811 + -delta_H 0 # Not possible to calculate enthalpy of reaction UF5- +# Enthalpy of formation: -0 kcal/mol + +6 F- + U+4 = UF6-2 + -llnl_gamma 4 + log_k 28.8412 + -delta_H 0 # Not possible to calculate enthalpy of reaction UF6-2 +# Enthalpy of formation: -0 kcal/mol + +U+4 + I- = UI+3 + -llnl_gamma 5 + log_k 1.2151 + -delta_H 0 # Not possible to calculate enthalpy of reaction UI+3 +# Enthalpy of formation: -0 kcal/mol + +U+4 + NO3- = UNO3+3 + -llnl_gamma 5 + log_k 1.4506 + -delta_H 0 # Not possible to calculate enthalpy of reaction UNO3+3 +# Enthalpy of formation: -0 kcal/mol + +2 HCO3- + UO2+2 = UO2(CO3)2-2 + 2 H+ + -llnl_gamma 4 + log_k -3.7467 + -delta_H 47.9065 kJ/mol # Calculated enthalpy of reaction UO2(CO3)2-2 # Enthalpy of formation: -2350.96 kJ/mol - -analytic 2.6569e+002 8.1552e-002 -9.0918e+003 -1.0638e+002 -1.4195e+002 + -analytic 2.6569e+2 8.1552e-2 -9.0918e+3 -1.0638e+2 -1.4195e+2 # -Range: 0-300 -3.0000 HCO3- + 1.0000 UO2+ = UO2(CO3)3-5 +3.0000 H+ - -llnl_gamma 4.0 - log_k -23.6241 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(CO3)3-5 +3 HCO3- + UO2+ = UO2(CO3)3-5 + 3 H+ + -llnl_gamma 4 + log_k -23.6241 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(CO3)3-5 # Enthalpy of formation: -0 kcal/mol - -3.0000 HCO3- + 1.0000 UO2++ = UO2(CO3)3---- +3.0000 H+ - -llnl_gamma 4.0 - log_k -9.4302 - -delta_H 4.9107 kJ/mol # Calculated enthalpy of reaction UO2(CO3)3-4 + +3 HCO3- + UO2+2 = UO2(CO3)3-4 + 3 H+ + -llnl_gamma 4 + log_k -9.4302 + -delta_H 4.9107 kJ/mol # Calculated enthalpy of reaction UO2(CO3)3-4 # Enthalpy of formation: -3083.89 kJ/mol - -analytic 3.7918e+002 1.1789e-001 -1.0233e+004 -1.5738e+002 -1.5978e+002 -# -Range: 0-300 - -3.0000 H+ + 2.0000 HPO4-- + 1.0000 UO2++ = UO2(H2PO4)(H3PO4)+ - -llnl_gamma 4.0 - log_k +22.7537 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(H2PO4)(H3PO4)+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 2.0000 H+ + 1.0000 UO2++ = UO2(H2PO4)2 - -llnl_gamma 3.0 - log_k +21.7437 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(H2PO4)2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 IO3- + 1.0000 UO2++ = UO2(IO3)2 - -llnl_gamma 3.0 - log_k +2.9969 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(IO3)2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 N3- + 1.0000 UO2++ = UO2(N3)2 - -llnl_gamma 3.0 - log_k +4.3301 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 N3- + 1.0000 UO2++ = UO2(N3)3- - -llnl_gamma 4.0 - log_k +5.7401 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 N3- + 1.0000 UO2++ = UO2(N3)4-- - -llnl_gamma 4.0 - log_k +4.9200 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)4-2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 UO2++ = UO2(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -10.3146 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 UO2++ = UO2(OH)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -19.2218 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 UO2++ = UO2(OH)4-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -33.0291 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)4-2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 Thiocyanate- + 1.0000 UO2++ = UO2(Thiocyanate)2 - -llnl_gamma 3.0 - log_k +1.2401 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(Thiocyanate)2 + -analytic 3.7918e+2 1.1789e-1 -1.0233e+4 -1.5738e+2 -1.5978e+2 +# -Range: 0-300 + +3 H+ + 2 HPO4-2 + UO2+2 = UO2(H2PO4)(H3PO4)+ + -llnl_gamma 4 + log_k 22.7537 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(H2PO4)(H3PO4)+ +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + 2 H+ + UO2+2 = UO2(H2PO4)2 + -llnl_gamma 3 + log_k 21.7437 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(H2PO4)2 +# Enthalpy of formation: -0 kcal/mol + +2 IO3- + UO2+2 = UO2(IO3)2 + -llnl_gamma 3 + log_k 2.9969 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(IO3)2 +# Enthalpy of formation: -0 kcal/mol + +2 N3- + UO2+2 = UO2(N3)2 + -llnl_gamma 3 + log_k 4.3301 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)2 +# Enthalpy of formation: -0 kcal/mol + +3 N3- + UO2+2 = UO2(N3)3- + -llnl_gamma 4 + log_k 5.7401 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)3- +# Enthalpy of formation: -0 kcal/mol + +4 N3- + UO2+2 = UO2(N3)4-2 + -llnl_gamma 4 + log_k 4.92 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(N3)4-2 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + UO2+2 = UO2(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -10.3146 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)2 +# Enthalpy of formation: -0 kcal/mol + +3 H2O + UO2+2 = UO2(OH)3- + 3 H+ + -llnl_gamma 4 + log_k -19.2218 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)3- +# Enthalpy of formation: -0 kcal/mol + +4 H2O + UO2+2 = UO2(OH)4-2 + 4 H+ + -llnl_gamma 4 + log_k -33.0291 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(OH)4-2 +# Enthalpy of formation: -0 kcal/mol + +2 Thiocyanate- + UO2+2 = UO2(Thiocyanate)2 + -llnl_gamma 3 + log_k 1.2401 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(Thiocyanate)2 # Enthalpy of formation: -857.3 kJ/mol - -analytic 9.4216e+001 3.2840e-002 -2.4849e+003 -3.8162e+001 -4.2231e+001 + -analytic 9.4216e+1 3.284e-2 -2.4849e+3 -3.8162e+1 -4.2231e+1 # -Range: 0-200 -3.0000 Thiocyanate- + 1.0000 UO2++ = UO2(Thiocyanate)3- - -llnl_gamma 4.0 - log_k +2.1001 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(Thiocyanate)3- +3 Thiocyanate- + UO2+2 = UO2(Thiocyanate)3- + -llnl_gamma 4 + log_k 2.1001 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(Thiocyanate)3- # Enthalpy of formation: -783.8 kJ/mol - -analytic 1.6622e+001 2.2714e-002 4.9707e+002 -9.2785e+000 7.7512e+000 + -analytic 1.6622e+1 2.2714e-2 4.9707e+2 -9.2785e+0 7.7512e+0 # -Range: 0-300 -2.0000 SO3-- + 1.0000 UO2++ = UO2(SO3)2-- - -llnl_gamma 4.0 - log_k +7.9101 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(SO3)2-2 +2 SO3-2 + UO2+2 = UO2(SO3)2-2 + -llnl_gamma 4 + log_k 7.9101 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(SO3)2-2 # Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 UO2++ = UO2(SO4)2-- - -llnl_gamma 4.0 - log_k +3.9806 - -delta_H 35.6242 kJ/mol # Calculated enthalpy of reaction UO2(SO4)2-2 + +2 SO4-2 + UO2+2 = UO2(SO4)2-2 + -llnl_gamma 4 + log_k 3.9806 + -delta_H 35.6242 kJ/mol # Calculated enthalpy of reaction UO2(SO4)2-2 # Enthalpy of formation: -2802.58 kJ/mol - -analytic 3.9907e+002 1.3536e-001 -1.0813e+004 -1.6130e+002 -1.6884e+002 + -analytic 3.9907e+2 1.3536e-1 -1.0813e+4 -1.613e+2 -1.6884e+2 # -Range: 0-300 -1.0000 UO2++ + 1.0000 Br- = UO2Br+ - -llnl_gamma 4.0 - log_k +0.1840 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2Br+ +UO2+2 + Br- = UO2Br+ + -llnl_gamma 4 + log_k 0.184 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2Br+ # Enthalpy of formation: -0 kcal/mol - -1.0000 UO2++ + 1.0000 BrO3- = UO2BrO3+ - -llnl_gamma 4.0 - log_k +0.5510 - -delta_H 0.46952 kJ/mol # Calculated enthalpy of reaction UO2BrO3+ + +UO2+2 + BrO3- = UO2BrO3+ + -llnl_gamma 4 + log_k 0.551 + -delta_H 0.46952 kJ/mol # Calculated enthalpy of reaction UO2BrO3+ # Enthalpy of formation: -1085.6 kJ/mol - -analytic 8.2618e+001 2.6921e-002 -2.0144e+003 -3.3673e+001 -3.1457e+001 + -analytic 8.2618e+1 2.6921e-2 -2.0144e+3 -3.3673e+1 -3.1457e+1 # -Range: 0-300 -1.0000 UO2++ + 1.0000 HCO3- = UO2CO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -0.6634 - -delta_H 19.7032 kJ/mol # Calculated enthalpy of reaction UO2CO3 +UO2+2 + HCO3- = UO2CO3 + H+ + -llnl_gamma 3 + log_k -0.6634 + -delta_H 19.7032 kJ/mol # Calculated enthalpy of reaction UO2CO3 # Enthalpy of formation: -1689.23 kJ/mol - -analytic 7.3898e+001 2.8127e-002 -2.4347e+003 -3.0217e+001 -4.1371e+001 + -analytic 7.3898e+1 2.8127e-2 -2.4347e+3 -3.0217e+1 -4.1371e+1 # -Range: 0-200 -1.0000 UO2++ + 1.0000 Cl- = UO2Cl+ - -llnl_gamma 4.0 - log_k +0.1572 - -delta_H 8.00167 kJ/mol # Calculated enthalpy of reaction UO2Cl+ +UO2+2 + Cl- = UO2Cl+ + -llnl_gamma 4 + log_k 0.1572 + -delta_H 8.00167 kJ/mol # Calculated enthalpy of reaction UO2Cl+ # Enthalpy of formation: -1178.08 kJ/mol - -analytic 9.8139e+001 3.8869e-002 -2.3178e+003 -4.1133e+001 -3.6196e+001 + -analytic 9.8139e+1 3.8869e-2 -2.3178e+3 -4.1133e+1 -3.6196e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 UO2++ = UO2Cl2 - -llnl_gamma 3.0 - log_k -1.1253 - -delta_H 15.0013 kJ/mol # Calculated enthalpy of reaction UO2Cl2 +2 Cl- + UO2+2 = UO2Cl2 + -llnl_gamma 3 + log_k -1.1253 + -delta_H 15.0013 kJ/mol # Calculated enthalpy of reaction UO2Cl2 # Enthalpy of formation: -1338.16 kJ/mol - -analytic 3.4087e+001 1.3840e-002 -1.3664e+003 -1.4043e+001 -2.3216e+001 + -analytic 3.4087e+1 1.384e-2 -1.3664e+3 -1.4043e+1 -2.3216e+1 # -Range: 0-200 -1.0000 UO2++ + 1.0000 ClO3- = UO2ClO3+ - -llnl_gamma 4.0 - log_k +0.4919 - -delta_H -3.9266 kJ/mol # Calculated enthalpy of reaction UO2ClO3+ +UO2+2 + ClO3- = UO2ClO3+ + -llnl_gamma 4 + log_k 0.4919 + -delta_H -3.9266 kJ/mol # Calculated enthalpy of reaction UO2ClO3+ # Enthalpy of formation: -1126.9 kJ/mol - -analytic 9.6263e+001 2.8926e-002 -2.3068e+003 -3.9057e+001 -3.6025e+001 + -analytic 9.6263e+1 2.8926e-2 -2.3068e+3 -3.9057e+1 -3.6025e+1 # -Range: 0-300 -1.0000 UO2++ + 1.0000 F- = UO2F+ - -llnl_gamma 4.0 - log_k +5.0502 - -delta_H 1.6976 kJ/mol # Calculated enthalpy of reaction UO2F+ +UO2+2 + F- = UO2F+ + -llnl_gamma 4 + log_k 5.0502 + -delta_H 1.6976 kJ/mol # Calculated enthalpy of reaction UO2F+ # Enthalpy of formation: -1352.65 kJ/mol - -analytic 1.1476e+002 4.0682e-002 -2.4467e+003 -4.5914e+001 -3.8212e+001 + -analytic 1.1476e+2 4.0682e-2 -2.4467e+3 -4.5914e+1 -3.8212e+1 # -Range: 0-300 -2.0000 F- + 1.0000 UO2++ = UO2F2 - -llnl_gamma 3.0 - log_k +8.5403 - -delta_H 2.0962 kJ/mol # Calculated enthalpy of reaction UO2F2 +2 F- + UO2+2 = UO2F2 + -llnl_gamma 3 + log_k 8.5403 + -delta_H 2.0962 kJ/mol # Calculated enthalpy of reaction UO2F2 # Enthalpy of formation: -1687.6 kJ/mol - -analytic 2.7673e+002 9.9190e-002 -5.8371e+003 -1.1242e+002 -9.9219e+001 + -analytic 2.7673e+2 9.919e-2 -5.8371e+3 -1.1242e+2 -9.9219e+1 # -Range: 0-200 -3.0000 F- + 1.0000 UO2++ = UO2F3- - -llnl_gamma 4.0 - log_k +10.7806 - -delta_H 2.3428 kJ/mol # Calculated enthalpy of reaction UO2F3- +3 F- + UO2+2 = UO2F3- + -llnl_gamma 4 + log_k 10.7806 + -delta_H 2.3428 kJ/mol # Calculated enthalpy of reaction UO2F3- # Enthalpy of formation: -2022.7 kJ/mol - -analytic 3.3383e+002 9.2160e-002 -8.7975e+003 -1.2972e+002 -1.3738e+002 + -analytic 3.3383e+2 9.216e-2 -8.7975e+3 -1.2972e+2 -1.3738e+2 # -Range: 0-300 -4.0000 F- + 1.0000 UO2++ = UO2F4-- - -llnl_gamma 4.0 - log_k +11.5407 - -delta_H 0.2814 kJ/mol # Calculated enthalpy of reaction UO2F4-2 +4 F- + UO2+2 = UO2F4-2 + -llnl_gamma 4 + log_k 11.5407 + -delta_H 0.2814 kJ/mol # Calculated enthalpy of reaction UO2F4-2 # Enthalpy of formation: -2360.11 kJ/mol - -analytic 4.4324e+002 1.3808e-001 -1.0705e+004 -1.7657e+002 -1.6718e+002 -# -Range: 0-300 - -1.0000 UO2++ + 1.0000 HPO4-- + 1.0000 H+ = UO2H2PO4+ - -llnl_gamma 4.0 - log_k +11.6719 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2H2PO4+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 H+ + 1.0000 UO2++ + 1.0000 HPO4-- = UO2H3PO4++ - -llnl_gamma 4.5 - log_k +11.3119 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2H3PO4+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 UO2++ + 1.0000 HPO4-- = UO2HPO4 - -llnl_gamma 3.0 - log_k +8.4398 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2HPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 UO2++ + 1.0000 IO3- = UO2IO3+ - -llnl_gamma 4.0 - log_k +1.7036 - -delta_H 11.4336 kJ/mol # Calculated enthalpy of reaction UO2IO3+ + -analytic 4.4324e+2 1.3808e-1 -1.0705e+4 -1.7657e+2 -1.6718e+2 +# -Range: 0-300 + +UO2+2 + HPO4-2 + H+ = UO2H2PO4+ + -llnl_gamma 4 + log_k 11.6719 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2H2PO4+ +# Enthalpy of formation: -0 kcal/mol + +2 H+ + UO2+2 + HPO4-2 = UO2H3PO4+2 + -llnl_gamma 4.5 + log_k 11.3119 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2H3PO4+2 +# Enthalpy of formation: -0 kcal/mol + +UO2+2 + HPO4-2 = UO2HPO4 + -llnl_gamma 3 + log_k 8.4398 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2HPO4 +# Enthalpy of formation: -0 kcal/mol + +UO2+2 + IO3- = UO2IO3+ + -llnl_gamma 4 + log_k 1.7036 + -delta_H 11.4336 kJ/mol # Calculated enthalpy of reaction UO2IO3+ # Enthalpy of formation: -1228.9 kJ/mol - -analytic 1.0428e+002 2.9620e-002 -3.2441e+003 -4.0618e+001 -5.0651e+001 + -analytic 1.0428e+2 2.962e-2 -3.2441e+3 -4.0618e+1 -5.0651e+1 # -Range: 0-300 -1.0000 UO2++ + 1.0000 N3- = UO2N3+ - -llnl_gamma 4.0 - log_k +2.5799 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2N3+ +UO2+2 + N3- = UO2N3+ + -llnl_gamma 4 + log_k 2.5799 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2N3+ # Enthalpy of formation: -0 kcal/mol - -1.0000 UO2++ + 1.0000 NO3- = UO2NO3+ - -llnl_gamma 4.0 - log_k +0.2805 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2NO3+ + +UO2+2 + NO3- = UO2NO3+ + -llnl_gamma 4 + log_k 0.2805 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2NO3+ # Enthalpy of formation: -0 kcal/mol - -1.0000 UO2++ + 1.0000 H2O = UO2OH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -5.2073 - -delta_H 43.1813 kJ/mol # Calculated enthalpy of reaction UO2OH+ + +UO2+2 + H2O = UO2OH+ + H+ + -llnl_gamma 4 + log_k -5.2073 + -delta_H 43.1813 kJ/mol # Calculated enthalpy of reaction UO2OH+ # Enthalpy of formation: -1261.66 kJ/mol - -analytic 3.4387e+001 6.0811e-003 -3.3068e+003 -1.2252e+001 -5.1609e+001 + -analytic 3.4387e+1 6.0811e-3 -3.3068e+3 -1.2252e+1 -5.1609e+1 # -Range: 0-300 -1.0000 UO2++ + 1.0000 HPO4-- = UO2PO4- +1.0000 H+ - -llnl_gamma 4.0 - log_k +2.0798 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2PO4- +UO2+2 + HPO4-2 = UO2PO4- + H+ + -llnl_gamma 4 + log_k 2.0798 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2PO4- # Enthalpy of formation: -0 kcal/mol - + #2.0000 SO3-- + 2.0000 H+ + 1.0000 UO2++ = UO2S2O3 +1.0000 H2O +1.0000 O2 #S2O3-- + O2 + H2O = 2.0000 H+ + 2.0000 SO3-- log_k 40.2906 -S2O3-- + UO2++ = UO2S2O3 - -llnl_gamma 3.0 +S2O3-2 + UO2+2 = UO2S2O3 + -llnl_gamma 3 # log_k -38.0666 log_k 2.224 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2S2O3 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2S2O3 # Enthalpy of formation: -0 kcal/mol - -1.0000 UO2++ + 1.0000 Thiocyanate- = UO2Thiocyanate+ - -llnl_gamma 4.0 - log_k +1.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2Thiocyanate+ + +UO2+2 + Thiocyanate- = UO2Thiocyanate+ + -llnl_gamma 4 + log_k 1.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2Thiocyanate+ # Enthalpy of formation: -939.38 kJ/mol - -analytic 4.7033e+000 1.2562e-002 4.9095e+002 -3.5097e+000 7.6593e+000 + -analytic 4.7033e+0 1.2562e-2 4.9095e+2 -3.5097e+0 7.6593e+0 # -Range: 0-300 -1.0000 UO2++ + 1.0000 SO3-- = UO2SO3 - -llnl_gamma 3.0 - log_k +6.7532 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2SO3 +UO2+2 + SO3-2 = UO2SO3 + -llnl_gamma 3 + log_k 6.7532 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2SO3 # Enthalpy of formation: -0 kcal/mol - -1.0000 UO2++ + 1.0000 SO4-- = UO2SO4 - -llnl_gamma 3.0 - log_k +3.0703 - -delta_H 19.7626 kJ/mol # Calculated enthalpy of reaction UO2SO4 + +UO2+2 + SO4-2 = UO2SO4 + -llnl_gamma 3 + log_k 3.0703 + -delta_H 19.7626 kJ/mol # Calculated enthalpy of reaction UO2SO4 # Enthalpy of formation: -1908.84 kJ/mol - -analytic 1.9514e+002 7.0951e-002 -4.9949e+003 -7.9394e+001 -8.4888e+001 + -analytic 1.9514e+2 7.0951e-2 -4.9949e+3 -7.9394e+1 -8.4888e+1 # -Range: 0-200 -1.0000 U++++ + 1.0000 H2O = UOH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k -0.5472 - -delta_H 46.9183 kJ/mol # Calculated enthalpy of reaction UOH+3 +U+4 + H2O = UOH+3 + H+ + -llnl_gamma 5 + log_k -0.5472 + -delta_H 46.9183 kJ/mol # Calculated enthalpy of reaction UOH+3 # Enthalpy of formation: -830.12 kJ/mol - -analytic 4.0793e+001 1.3563e-003 -3.8441e+003 -1.1659e+001 -5.9996e+001 + -analytic 4.0793e+1 1.3563e-3 -3.8441e+3 -1.1659e+1 -5.9996e+1 # -Range: 0-300 -1.0000 U++++ + 1.0000 Thiocyanate- = UThiocyanate+++ - -llnl_gamma 5.0 - log_k +2.9700 - -delta_H 0 # Not possible to calculate enthalpy of reaction UThiocyanate+3 +U+4 + Thiocyanate- = UThiocyanate+3 + -llnl_gamma 5 + log_k 2.97 + -delta_H 0 # Not possible to calculate enthalpy of reaction UThiocyanate+3 # Enthalpy of formation: -541.8 kJ/mol - -analytic 4.0286e-001 1.5909e-002 2.3026e+003 -3.9973e+000 3.5929e+001 + -analytic 4.0286e-1 1.5909e-2 2.3026e+3 -3.9973e+0 3.5929e+1 # -Range: 0-300 -1.0000 U++++ + 1.0000 SO4-- = USO4++ - -llnl_gamma 4.5 - log_k +6.5003 - -delta_H 8.2616 kJ/mol # Calculated enthalpy of reaction USO4+2 +U+4 + SO4-2 = USO4+2 + -llnl_gamma 4.5 + log_k 6.5003 + -delta_H 8.2616 kJ/mol # Calculated enthalpy of reaction USO4+2 # Enthalpy of formation: -1492.54 kJ/mol - -analytic 1.9418e+002 7.5458e-002 -4.0646e+003 -7.9416e+001 -6.3482e+001 -# -Range: 0-300 - -2.0000 H2O + 1.0000 V+++ = V(OH)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -5.9193 - -delta_H 0 # Not possible to calculate enthalpy of reaction V(OH)2+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 V+++ + 2.0000 H2O = V2(OH)2++++ +2.0000 H+ - -llnl_gamma 5.5 - log_k -3.8 - -delta_H 0 # Not possible to calculate enthalpy of reaction V2(OH)2+4 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 VO2+ = VO(OH)3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -3.3 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO(OH)3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 VO2+ = VO2(HPO4)2--- - -llnl_gamma 4.0 - log_k +8.6000 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO2(HPO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 VO2+ = VO2(OH)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.3 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO2(OH)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 VO2+ + 1.0000 F- = VO2F - -llnl_gamma 3.0 - log_k +3.3500 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO2F -# Enthalpy of formation: -0 kcal/mol - -2.0000 F- + 1.0000 VO2+ = VO2F2- - -llnl_gamma 4.0 - log_k +5.8100 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO2F2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 VO2+ + 1.0000 HPO4-- + 1.0000 H+ = VO2H2PO4 - -llnl_gamma 3.0 - log_k +1.6800 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO2H2PO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 VO2+ + 1.0000 HPO4-- = VO2HPO4- - -llnl_gamma 4.0 - log_k +5.8300 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO2HPO4- -# Enthalpy of formation: -0 kcal/mol - -1.0000 VO2+ + 1.0000 SO4-- = VO2SO4- - -llnl_gamma 4.0 - log_k +1.5800 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO2SO4- -# Enthalpy of formation: -0 kcal/mol - -1.0000 VO4--- + 1.0000 H+ = VO3OH-- - -llnl_gamma 4.0 - log_k +14.2600 - -delta_H 0 # Not possible to calculate enthalpy of reaction VO3OH-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 VO++ + 1.0000 F- = VOF+ - -llnl_gamma 4.0 - log_k +4.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction VOF+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 F- + 1.0000 VO++ = VOF2 - -llnl_gamma 3.0 - log_k +6.7800 - -delta_H 0 # Not possible to calculate enthalpy of reaction VOF2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 V+++ + 1.0000 H2O = VOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.26 - -delta_H 0 # Not possible to calculate enthalpy of reaction VOH+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 VO++ + 1.0000 H2O = VOOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -5.67 - -delta_H 0 # Not possible to calculate enthalpy of reaction VOOH+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 VO++ + 1.0000 SO4-- = VOSO4 - -llnl_gamma 3.0 - log_k +2.4800 - -delta_H 0 # Not possible to calculate enthalpy of reaction VOSO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 V+++ + 1.0000 SO4-- = VSO4+ - -llnl_gamma 4.0 - log_k +3.3300 - -delta_H 0 # Not possible to calculate enthalpy of reaction VSO4+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Y+++ = Y(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -4.9844 - -delta_H -34.8109 kJ/mol # Calculated enthalpy of reaction Y(Acetate)2+ + -analytic 1.9418e+2 7.5458e-2 -4.0646e+3 -7.9416e+1 -6.3482e+1 +# -Range: 0-300 + +2 H2O + V+3 = V(OH)2+ + 2 H+ + -llnl_gamma 4 + log_k -5.9193 + -delta_H 0 # Not possible to calculate enthalpy of reaction V(OH)2+ +# Enthalpy of formation: -0 kcal/mol + +2 V+3 + 2 H2O = V2(OH)2+4 + 2 H+ + -llnl_gamma 5.5 + log_k -3.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction V2(OH)2+4 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + VO2+ = VO(OH)3 + H+ + -llnl_gamma 3 + log_k -3.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO(OH)3 +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + VO2+ = VO2(HPO4)2-3 + -llnl_gamma 4 + log_k 8.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO2(HPO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 H2O + VO2+ = VO2(OH)2- + 2 H+ + -llnl_gamma 4 + log_k -7.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO2(OH)2- +# Enthalpy of formation: -0 kcal/mol + +VO2+ + F- = VO2F + -llnl_gamma 3 + log_k 3.35 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO2F +# Enthalpy of formation: -0 kcal/mol + +2 F- + VO2+ = VO2F2- + -llnl_gamma 4 + log_k 5.81 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO2F2- +# Enthalpy of formation: -0 kcal/mol + +VO2+ + HPO4-2 + H+ = VO2H2PO4 + -llnl_gamma 3 + log_k 1.68 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO2H2PO4 +# Enthalpy of formation: -0 kcal/mol + +VO2+ + HPO4-2 = VO2HPO4- + -llnl_gamma 4 + log_k 5.83 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO2HPO4- +# Enthalpy of formation: -0 kcal/mol + +VO2+ + SO4-2 = VO2SO4- + -llnl_gamma 4 + log_k 1.58 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO2SO4- +# Enthalpy of formation: -0 kcal/mol + +VO4-3 + H+ = VO3OH-2 + -llnl_gamma 4 + log_k 14.26 + -delta_H 0 # Not possible to calculate enthalpy of reaction VO3OH-2 +# Enthalpy of formation: -0 kcal/mol + +VO+2 + F- = VOF+ + -llnl_gamma 4 + log_k 4 + -delta_H 0 # Not possible to calculate enthalpy of reaction VOF+ +# Enthalpy of formation: -0 kcal/mol + +2 F- + VO+2 = VOF2 + -llnl_gamma 3 + log_k 6.78 + -delta_H 0 # Not possible to calculate enthalpy of reaction VOF2 +# Enthalpy of formation: -0 kcal/mol + +V+3 + H2O = VOH+2 + H+ + -llnl_gamma 4.5 + log_k -2.26 + -delta_H 0 # Not possible to calculate enthalpy of reaction VOH+2 +# Enthalpy of formation: -0 kcal/mol + +VO+2 + H2O = VOOH+ + H+ + -llnl_gamma 4 + log_k -5.67 + -delta_H 0 # Not possible to calculate enthalpy of reaction VOOH+ +# Enthalpy of formation: -0 kcal/mol + +VO+2 + SO4-2 = VOSO4 + -llnl_gamma 3 + log_k 2.48 + -delta_H 0 # Not possible to calculate enthalpy of reaction VOSO4 +# Enthalpy of formation: -0 kcal/mol + +V+3 + SO4-2 = VSO4+ + -llnl_gamma 4 + log_k 3.33 + -delta_H 0 # Not possible to calculate enthalpy of reaction VSO4+ +# Enthalpy of formation: -0 kcal/mol + +2 HAcetate + Y+3 = Y(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -4.9844 + -delta_H -34.8109 kJ/mol # Calculated enthalpy of reaction Y(Acetate)2+ # Enthalpy of formation: -411.42 kcal/mol - -analytic -3.3011e+001 6.1979e-004 -7.7468e+002 9.6380e+000 5.8814e+005 + -analytic -3.3011e+1 6.1979e-4 -7.7468e+2 9.638e+0 5.8814e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Y+++ = Y(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.3783 - -delta_H -58.4505 kJ/mol # Calculated enthalpy of reaction Y(Acetate)3 +3 HAcetate + Y+3 = Y(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.3783 + -delta_H -58.4505 kJ/mol # Calculated enthalpy of reaction Y(Acetate)3 # Enthalpy of formation: -533.17 kcal/mol - -analytic -3.0086e+001 4.0213e-003 -1.1444e+003 6.1794e+000 8.0827e+005 -# -Range: 0-300 - -2.0000 HCO3- + 1.0000 Y+++ = Y(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.3576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Y(CO3)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Y+++ = Y(HPO4)2- - -llnl_gamma 4.0 - log_k +9.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Y(HPO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 H2O + 1.0000 Y+++ = Y(OH)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -16.3902 - -delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)2+ -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Y+++ = Y(OH)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -25.9852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)3 -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 Y+++ = Y(OH)4- +4.0000 H+ - -llnl_gamma 4.0 - log_k -36.4803 - -delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)4- -# Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Y+++ = Y(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -3.2437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Y(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Y+++ = Y(SO4)2- - -llnl_gamma 4.0 - log_k +4.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Y(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -2.0000 Y+++ + 2.0000 H2O = Y2(OH)2++++ +2.0000 H+ - -llnl_gamma 5.5 - log_k -14.1902 - -delta_H 0 # Not possible to calculate enthalpy of reaction Y2(OH)2+4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 HAcetate = YAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.1184 - -delta_H -17.2799 kJ/mol # Calculated enthalpy of reaction YAcetate+2 + -analytic -3.0086e+1 4.0213e-3 -1.1444e+3 6.1794e+0 8.0827e+5 +# -Range: 0-300 + +2 HCO3- + Y+3 = Y(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.3576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Y(CO3)2- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Y+3 = Y(HPO4)2- + -llnl_gamma 4 + log_k 9.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Y(HPO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 H2O + Y+3 = Y(OH)2+ + 2 H+ + -llnl_gamma 4 + log_k -16.3902 + -delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)2+ +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Y+3 = Y(OH)3 + 3 H+ + -llnl_gamma 3 + log_k -25.9852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)3 +# Enthalpy of formation: -0 kcal/mol + +4 H2O + Y+3 = Y(OH)4- + 4 H+ + -llnl_gamma 4 + log_k -36.4803 + -delta_H 0 # Not possible to calculate enthalpy of reaction Y(OH)4- +# Enthalpy of formation: -0 kcal/mol + +2 HPO4-2 + Y+3 = Y(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -3.2437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Y(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Y+3 = Y(SO4)2- + -llnl_gamma 4 + log_k 4.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Y(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +2 Y+3 + 2 H2O = Y2(OH)2+4 + 2 H+ + -llnl_gamma 5.5 + log_k -14.1902 + -delta_H 0 # Not possible to calculate enthalpy of reaction Y2(OH)2+4 +# Enthalpy of formation: -0 kcal/mol + +Y+3 + HAcetate = YAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.1184 + -delta_H -17.2799 kJ/mol # Calculated enthalpy of reaction YAcetate+2 # Enthalpy of formation: -291.13 kcal/mol - -analytic -1.2080e+001 1.2015e-003 -8.4186e+002 3.4522e+000 3.4647e+005 -# -Range: 0-300 - -1.0000 Y+++ + 1.0000 HCO3- = YCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.2788 - -delta_H 0 # Not possible to calculate enthalpy of reaction YCO3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 Cl- = YCl++ - -llnl_gamma 4.5 - log_k +0.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YCl+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 F- = YF++ - -llnl_gamma 4.5 - log_k +4.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YF+2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 F- + 1.0000 Y+++ = YF2+ - -llnl_gamma 4.0 - log_k +7.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YF2+ -# Enthalpy of formation: -0 kcal/mol - -3.0000 F- + 1.0000 Y+++ = YF3 - -llnl_gamma 3.0 - log_k +11.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YF3 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 HPO4-- + 1.0000 H+ = YH2PO4++ - -llnl_gamma 4.5 - log_k +9.6054 - -delta_H 0 # Not possible to calculate enthalpy of reaction YH2PO4+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 HCO3- = YHCO3++ - -llnl_gamma 4.5 - log_k +2.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YHCO3+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 HPO4-- = YHPO4+ - -llnl_gamma 4.0 - log_k +5.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YHPO4+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 NO3- = YNO3++ - -llnl_gamma 4.5 - log_k +0.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YNO3+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 H2O = YOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.6951 - -delta_H 0 # Not possible to calculate enthalpy of reaction YOH+2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 HPO4-- = YPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k +0.2782 - -delta_H 0 # Not possible to calculate enthalpy of reaction YPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Y+++ + 1.0000 SO4-- = YSO4+ - -llnl_gamma 4.0 - log_k +3.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YSO4+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 HAcetate + 1.0000 Yb+++ = Yb(Acetate)2+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -5.131 - -delta_H -30.334 kJ/mol # Calculated enthalpy of reaction Yb(Acetate)2+ + -analytic -1.208e+1 1.2015e-3 -8.4186e+2 3.4522e+0 3.4647e+5 +# -Range: 0-300 + +Y+3 + HCO3- = YCO3+ + H+ + -llnl_gamma 4 + log_k -2.2788 + -delta_H 0 # Not possible to calculate enthalpy of reaction YCO3+ +# Enthalpy of formation: -0 kcal/mol + +Y+3 + Cl- = YCl+2 + -llnl_gamma 4.5 + log_k 0.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction YCl+2 +# Enthalpy of formation: -0 kcal/mol + +Y+3 + F- = YF+2 + -llnl_gamma 4.5 + log_k 4.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction YF+2 +# Enthalpy of formation: -0 kcal/mol + +2 F- + Y+3 = YF2+ + -llnl_gamma 4 + log_k 7.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction YF2+ +# Enthalpy of formation: -0 kcal/mol + +3 F- + Y+3 = YF3 + -llnl_gamma 3 + log_k 11.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction YF3 +# Enthalpy of formation: -0 kcal/mol + +Y+3 + HPO4-2 + H+ = YH2PO4+2 + -llnl_gamma 4.5 + log_k 9.6054 + -delta_H 0 # Not possible to calculate enthalpy of reaction YH2PO4+2 +# Enthalpy of formation: -0 kcal/mol + +Y+3 + HCO3- = YHCO3+2 + -llnl_gamma 4.5 + log_k 2.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction YHCO3+2 +# Enthalpy of formation: -0 kcal/mol + +Y+3 + HPO4-2 = YHPO4+ + -llnl_gamma 4 + log_k 5.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction YHPO4+ +# Enthalpy of formation: -0 kcal/mol + +Y+3 + NO3- = YNO3+2 + -llnl_gamma 4.5 + log_k 0.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction YNO3+2 +# Enthalpy of formation: -0 kcal/mol + +Y+3 + H2O = YOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.6951 + -delta_H 0 # Not possible to calculate enthalpy of reaction YOH+2 +# Enthalpy of formation: -0 kcal/mol + +Y+3 + HPO4-2 = YPO4 + H+ + -llnl_gamma 3 + log_k 0.2782 + -delta_H 0 # Not possible to calculate enthalpy of reaction YPO4 +# Enthalpy of formation: -0 kcal/mol + +Y+3 + SO4-2 = YSO4+ + -llnl_gamma 4 + log_k 3.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction YSO4+ +# Enthalpy of formation: -0 kcal/mol + +2 HAcetate + Yb+3 = Yb(Acetate)2+ + 2 H+ + -llnl_gamma 4 + log_k -5.131 + -delta_H -30.334 kJ/mol # Calculated enthalpy of reaction Yb(Acetate)2+ # Enthalpy of formation: -399.75 kcal/mol - -analytic -3.4286e+001 9.4069e-004 -6.5120e+002 1.0071e+001 5.4773e+005 + -analytic -3.4286e+1 9.4069e-4 -6.512e+2 1.0071e+1 5.4773e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Yb+++ = Yb(Acetate)3 +3.0000 H+ - -llnl_gamma 3.0 - log_k -8.5688 - -delta_H -51.4214 kJ/mol # Calculated enthalpy of reaction Yb(Acetate)3 +3 HAcetate + Yb+3 = Yb(Acetate)3 + 3 H+ + -llnl_gamma 3 + log_k -8.5688 + -delta_H -51.4214 kJ/mol # Calculated enthalpy of reaction Yb(Acetate)3 # Enthalpy of formation: -520.89 kcal/mol - -analytic -6.2211e+001 -6.1589e-004 5.9577e+002 1.7954e+001 6.6116e+005 + -analytic -6.2211e+1 -6.1589e-4 5.9577e+2 1.7954e+1 6.6116e+5 # -Range: 0-300 -2.0000 HCO3- + 1.0000 Yb+++ = Yb(CO3)2- +2.0000 H+ - -llnl_gamma 4.0 - log_k -7.0576 - -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(CO3)2- +2 HCO3- + Yb+3 = Yb(CO3)2- + 2 H+ + -llnl_gamma 4 + log_k -7.0576 + -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(CO3)2- # Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Yb+++ = Yb(HPO4)2- - -llnl_gamma 4.0 - log_k +10.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(HPO4)2- + +2 HPO4-2 + Yb+3 = Yb(HPO4)2- + -llnl_gamma 4 + log_k 10.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(HPO4)2- # Enthalpy of formation: -0 kcal/mol - + # Redundant with YbO2- #4.0000 H2O + 1.0000 Yb+++ = Yb(OH)4- +4.0000 H+ -# -llnl_gamma 4.0 +# -llnl_gamma 4.0 # log_k -32.6803 # -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(OH)4- ## Enthalpy of formation: -0 kcal/mol - -2.0000 HPO4-- + 1.0000 Yb+++ = Yb(PO4)2--- +2.0000 H+ - -llnl_gamma 4.0 - log_k -2.7437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(PO4)2-3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Yb+++ = Yb(SO4)2- - -llnl_gamma 4.0 - log_k +5.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(SO4)2- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Yb+++ + 1.0000 HAcetate = YbAcetate++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -2.199 - -delta_H -15.2298 kJ/mol # Calculated enthalpy of reaction YbAcetate+2 + +2 HPO4-2 + Yb+3 = Yb(PO4)2-3 + 2 H+ + -llnl_gamma 4 + log_k -2.7437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(PO4)2-3 +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Yb+3 = Yb(SO4)2- + -llnl_gamma 4 + log_k 5.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(SO4)2- +# Enthalpy of formation: -0 kcal/mol + +Yb+3 + HAcetate = YbAcetate+2 + H+ + -llnl_gamma 4.5 + log_k -2.199 + -delta_H -15.2298 kJ/mol # Calculated enthalpy of reaction YbAcetate+2 # Enthalpy of formation: -280.04 kcal/mol - -analytic -8.5003e+000 2.2459e-003 -9.6434e+002 2.0630e+000 3.3550e+005 + -analytic -8.5003e+0 2.2459e-3 -9.6434e+2 2.063e+0 3.355e+5 # -Range: 0-300 -1.0000 Yb+++ + 1.0000 HCO3- = YbCO3+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -2.0392 - -delta_H 82.8348 kJ/mol # Calculated enthalpy of reaction YbCO3+ +Yb+3 + HCO3- = YbCO3+ + H+ + -llnl_gamma 4 + log_k -2.0392 + -delta_H 82.8348 kJ/mol # Calculated enthalpy of reaction YbCO3+ # Enthalpy of formation: -305.4 kcal/mol - -analytic 2.3533e+002 5.4436e-002 -6.7871e+003 -9.3280e+001 -1.0598e+002 + -analytic 2.3533e+2 5.4436e-2 -6.7871e+3 -9.328e+1 -1.0598e+2 # -Range: 0-300 -1.0000 Yb+++ + 1.0000 Cl- = YbCl++ - -llnl_gamma 4.5 - log_k +0.1620 - -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction YbCl+2 +Yb+3 + Cl- = YbCl+2 + -llnl_gamma 4.5 + log_k 0.162 + -delta_H 13.9453 kJ/mol # Calculated enthalpy of reaction YbCl+2 # Enthalpy of formation: -196.9 kcal/mol - -analytic 8.0452e+001 3.8343e-002 -1.8176e+003 -3.4594e+001 -2.8386e+001 + -analytic 8.0452e+1 3.8343e-2 -1.8176e+3 -3.4594e+1 -2.8386e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Yb+++ = YbCl2+ - -llnl_gamma 4.0 - log_k -0.2624 - -delta_H 17.4305 kJ/mol # Calculated enthalpy of reaction YbCl2+ +2 Cl- + Yb+3 = YbCl2+ + -llnl_gamma 4 + log_k -0.2624 + -delta_H 17.4305 kJ/mol # Calculated enthalpy of reaction YbCl2+ # Enthalpy of formation: -236 kcal/mol - -analytic 2.1708e+002 8.0550e-002 -5.4744e+003 -9.0101e+001 -8.5487e+001 + -analytic 2.1708e+2 8.055e-2 -5.4744e+3 -9.0101e+1 -8.5487e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Yb+++ = YbCl3 - -llnl_gamma 3.0 - log_k -0.7601 - -delta_H 8.36382 kJ/mol # Calculated enthalpy of reaction YbCl3 +3 Cl- + Yb+3 = YbCl3 + -llnl_gamma 3 + log_k -0.7601 + -delta_H 8.36382 kJ/mol # Calculated enthalpy of reaction YbCl3 # Enthalpy of formation: -278.1 kcal/mol - -analytic 4.0887e+002 1.2992e-001 -1.0578e+004 -1.6684e+002 -1.6518e+002 + -analytic 4.0887e+2 1.2992e-1 -1.0578e+4 -1.6684e+2 -1.6518e+2 # -Range: 0-300 -4.0000 Cl- + 1.0000 Yb+++ = YbCl4- - -llnl_gamma 4.0 - log_k -1.1845 - -delta_H -15.7653 kJ/mol # Calculated enthalpy of reaction YbCl4- +4 Cl- + Yb+3 = YbCl4- + -llnl_gamma 4 + log_k -1.1845 + -delta_H -15.7653 kJ/mol # Calculated enthalpy of reaction YbCl4- # Enthalpy of formation: -323.8 kcal/mol - -analytic 4.7560e+002 1.3032e-001 -1.2452e+004 -1.9149e+002 -1.9444e+002 + -analytic 4.756e+2 1.3032e-1 -1.2452e+4 -1.9149e+2 -1.9444e+2 # -Range: 0-300 -1.0000 Yb+++ + 1.0000 F- = YbF++ - -llnl_gamma 4.5 - log_k +4.8085 - -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction YbF+2 +Yb+3 + F- = YbF+2 + -llnl_gamma 4.5 + log_k 4.8085 + -delta_H 23.2212 kJ/mol # Calculated enthalpy of reaction YbF+2 # Enthalpy of formation: -234.9 kcal/mol - -analytic 1.0291e+002 4.2493e-002 -2.7637e+003 -4.1008e+001 -4.3156e+001 + -analytic 1.0291e+2 4.2493e-2 -2.7637e+3 -4.1008e+1 -4.3156e+1 # -Range: 0-300 -2.0000 F- + 1.0000 Yb+++ = YbF2+ - -llnl_gamma 4.0 - log_k +8.3709 - -delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction YbF2+ +2 F- + Yb+3 = YbF2+ + -llnl_gamma 4 + log_k 8.3709 + -delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction YbF2+ # Enthalpy of formation: -317.7 kcal/mol - -analytic 2.4281e+002 8.5385e-002 -5.6900e+003 -9.7299e+001 -8.8859e+001 + -analytic 2.4281e+2 8.5385e-2 -5.69e+3 -9.7299e+1 -8.8859e+1 # -Range: 0-300 -3.0000 F- + 1.0000 Yb+++ = YbF3 - -llnl_gamma 3.0 - log_k +11.0537 - -delta_H -13.1796 kJ/mol # Calculated enthalpy of reaction YbF3 +3 F- + Yb+3 = YbF3 + -llnl_gamma 3 + log_k 11.0537 + -delta_H -13.1796 kJ/mol # Calculated enthalpy of reaction YbF3 # Enthalpy of formation: -403.9 kcal/mol - -analytic 4.5227e+002 1.3659e-001 -1.0595e+004 -1.8038e+002 -1.6546e+002 + -analytic 4.5227e+2 1.3659e-1 -1.0595e+4 -1.8038e+2 -1.6546e+2 # -Range: 0-300 -4.0000 F- + 1.0000 Yb+++ = YbF4- - -llnl_gamma 4.0 - log_k +13.2234 - -delta_H -60.2496 kJ/mol # Calculated enthalpy of reaction YbF4- +4 F- + Yb+3 = YbF4- + -llnl_gamma 4 + log_k 13.2234 + -delta_H -60.2496 kJ/mol # Calculated enthalpy of reaction YbF4- # Enthalpy of formation: -495.3 kcal/mol - -analytic 5.0369e+002 1.3726e-001 -1.0671e+004 -2.0026e+002 -1.6666e+002 + -analytic 5.0369e+2 1.3726e-1 -1.0671e+4 -2.0026e+2 -1.6666e+2 # -Range: 0-300 -1.0000 Yb+++ + 1.0000 HPO4-- + 1.0000 H+ = YbH2PO4++ - -llnl_gamma 4.5 - log_k +9.5217 - -delta_H -20.0204 kJ/mol # Calculated enthalpy of reaction YbH2PO4+2 +Yb+3 + HPO4-2 + H+ = YbH2PO4+2 + -llnl_gamma 4.5 + log_k 9.5217 + -delta_H -20.0204 kJ/mol # Calculated enthalpy of reaction YbH2PO4+2 # Enthalpy of formation: -473.9 kcal/mol - -analytic 1.0919e+002 6.3749e-002 3.8909e+002 -4.8469e+001 6.0389e+000 + -analytic 1.0919e+2 6.3749e-2 3.8909e+2 -4.8469e+1 6.0389e+0 # -Range: 0-300 -1.0000 Yb+++ + 1.0000 HCO3- = YbHCO3++ - -llnl_gamma 4.5 - log_k +1.8398 - -delta_H 5.43083 kJ/mol # Calculated enthalpy of reaction YbHCO3+2 +Yb+3 + HCO3- = YbHCO3+2 + -llnl_gamma 4.5 + log_k 1.8398 + -delta_H 5.43083 kJ/mol # Calculated enthalpy of reaction YbHCO3+2 # Enthalpy of formation: -323.9 kcal/mol - -analytic 3.9175e+001 3.1796e-002 6.9728e+001 -1.9002e+001 1.0762e+000 + -analytic 3.9175e+1 3.1796e-2 6.9728e+1 -1.9002e+1 1.0762e+0 # -Range: 0-300 -1.0000 Yb+++ + 1.0000 HPO4-- = YbHPO4+ - -llnl_gamma 4.0 - log_k +6.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YbHPO4+ +Yb+3 + HPO4-2 = YbHPO4+ + -llnl_gamma 4 + log_k 6 + -delta_H 0 # Not possible to calculate enthalpy of reaction YbHPO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Yb+++ + 1.0000 NO3- = YbNO3++ - -llnl_gamma 4.5 - log_k +0.2148 - -delta_H -32.9323 kJ/mol # Calculated enthalpy of reaction YbNO3+2 + +Yb+3 + NO3- = YbNO3+2 + -llnl_gamma 4.5 + log_k 0.2148 + -delta_H -32.9323 kJ/mol # Calculated enthalpy of reaction YbNO3+2 # Enthalpy of formation: -217.6 kcal/mol - -analytic 1.7237e+001 2.5684e-002 2.2806e+003 -1.3055e+001 3.5581e+001 + -analytic 1.7237e+1 2.5684e-2 2.2806e+3 -1.3055e+1 3.5581e+1 # -Range: 0-300 -1.0000 Yb+++ + 1.0000 H2O = YbO+ +2.0000 H+ - -llnl_gamma 4.0 - log_k -15.7506 - -delta_H 105.508 kJ/mol # Calculated enthalpy of reaction YbO+ +Yb+3 + H2O = YbO+ + 2 H+ + -llnl_gamma 4 + log_k -15.7506 + -delta_H 105.508 kJ/mol # Calculated enthalpy of reaction YbO+ # Enthalpy of formation: -203.4 kcal/mol - -analytic 1.7675e+002 2.9078e-002 -1.3106e+004 -6.3534e+001 -2.0456e+002 + -analytic 1.7675e+2 2.9078e-2 -1.3106e+4 -6.3534e+1 -2.0456e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Yb+++ = YbO2- +4.0000 H+ - -llnl_gamma 4.0 - log_k -32.6741 - -delta_H 267.918 kJ/mol # Calculated enthalpy of reaction YbO2- +2 H2O + Yb+3 = YbO2- + 4 H+ + -llnl_gamma 4 + log_k -32.6741 + -delta_H 267.918 kJ/mol # Calculated enthalpy of reaction YbO2- # Enthalpy of formation: -232.9 kcal/mol - -analytic 1.5529e+002 1.0053e-002 -1.8749e+004 -5.1764e+001 -2.9260e+002 + -analytic 1.5529e+2 1.0053e-2 -1.8749e+4 -5.1764e+1 -2.926e+2 # -Range: 0-300 -2.0000 H2O + 1.0000 Yb+++ = YbO2H +3.0000 H+ - -llnl_gamma 3.0 - log_k -23.878 - -delta_H 211.016 kJ/mol # Calculated enthalpy of reaction YbO2H +2 H2O + Yb+3 = YbO2H + 3 H+ + -llnl_gamma 3 + log_k -23.878 + -delta_H 211.016 kJ/mol # Calculated enthalpy of reaction YbO2H # Enthalpy of formation: -246.5 kcal/mol - -analytic 3.2148e+002 4.4821e-002 -2.1971e+004 -1.1519e+002 -3.4293e+002 + -analytic 3.2148e+2 4.4821e-2 -2.1971e+4 -1.1519e+2 -3.4293e+2 # -Range: 0-300 -1.0000 Yb+++ + 1.0000 H2O = YbOH++ +1.0000 H+ - -llnl_gamma 4.5 - log_k -7.6143 - -delta_H 74.9647 kJ/mol # Calculated enthalpy of reaction YbOH+2 +Yb+3 + H2O = YbOH+2 + H+ + -llnl_gamma 4.5 + log_k -7.6143 + -delta_H 74.9647 kJ/mol # Calculated enthalpy of reaction YbOH+2 # Enthalpy of formation: -210.7 kcal/mol - -analytic 5.8142e+001 1.1402e-002 -5.6488e+003 -2.0289e+001 -8.8160e+001 + -analytic 5.8142e+1 1.1402e-2 -5.6488e+3 -2.0289e+1 -8.816e+1 # -Range: 0-300 -1.0000 Yb+++ + 1.0000 HPO4-- = YbPO4 +1.0000 H+ - -llnl_gamma 3.0 - log_k +0.5782 - -delta_H 0 # Not possible to calculate enthalpy of reaction YbPO4 +Yb+3 + HPO4-2 = YbPO4 + H+ + -llnl_gamma 3 + log_k 0.5782 + -delta_H 0 # Not possible to calculate enthalpy of reaction YbPO4 # Enthalpy of formation: -0 kcal/mol - -1.0000 Yb+++ + 1.0000 SO4-- = YbSO4+ - -llnl_gamma 4.0 - log_k +3.5697 - -delta_H 1424.65 kJ/mol # Calculated enthalpy of reaction YbSO4+ + +Yb+3 + SO4-2 = YbSO4+ + -llnl_gamma 4 + log_k 3.5697 + -delta_H 1424.65 kJ/mol # Calculated enthalpy of reaction YbSO4+ # Enthalpy of formation: -37.2 kcal/mol - -analytic 3.0675e+002 8.6527e-002 -9.0298e+003 -1.2069e+002 -1.4099e+002 + -analytic 3.0675e+2 8.6527e-2 -9.0298e+3 -1.2069e+2 -1.4099e+2 # -Range: 0-300 -2.0000 HAcetate + 1.0000 Zn++ = Zn(Acetate)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -6.062 - -delta_H -11.0458 kJ/mol # Calculated enthalpy of reaction Zn(Acetate)2 +2 HAcetate + Zn+2 = Zn(Acetate)2 + 2 H+ + -llnl_gamma 3 + log_k -6.062 + -delta_H -11.0458 kJ/mol # Calculated enthalpy of reaction Zn(Acetate)2 # Enthalpy of formation: -271.5 kcal/mol - -analytic -2.2038e+001 2.6133e-003 -2.7652e+003 6.8501e+000 6.7086e+005 + -analytic -2.2038e+1 2.6133e-3 -2.7652e+3 6.8501e+0 6.7086e+5 # -Range: 0-300 -3.0000 HAcetate + 1.0000 Zn++ = Zn(Acetate)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -10.0715 - -delta_H 25.355 kJ/mol # Calculated enthalpy of reaction Zn(Acetate)3- +3 HAcetate + Zn+2 = Zn(Acetate)3- + 3 H+ + -llnl_gamma 4 + log_k -10.0715 + -delta_H 25.355 kJ/mol # Calculated enthalpy of reaction Zn(Acetate)3- # Enthalpy of formation: -378.9 kcal/mol - -analytic 3.5104e+001 -6.1568e-003 -1.3379e+004 -8.7697e+000 2.0670e+006 + -analytic 3.5104e+1 -6.1568e-3 -1.3379e+4 -8.7697e+0 2.067e+6 # -Range: 0-300 -4.0000 Cyanide- + 1.0000 Zn++ = Zn(Cyanide)4-- - -llnl_gamma 4.0 - log_k +16.7040 - -delta_H -107.305 kJ/mol # Calculated enthalpy of reaction Zn(Cyanide)4-2 +4 Cyanide- + Zn+2 = Zn(Cyanide)4-2 + -llnl_gamma 4 + log_k 16.704 + -delta_H -107.305 kJ/mol # Calculated enthalpy of reaction Zn(Cyanide)4-2 # Enthalpy of formation: 341.806 kJ/mol - -analytic 3.6586e+002 1.2655e-001 -2.9546e+003 -1.5232e+002 -4.6213e+001 -# -Range: 0-300 - -2.0000 N3- + 1.0000 Zn++ = Zn(N3)2 - -llnl_gamma 3.0 - log_k +1.1954 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(N3)2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 NH3 = Zn(NH3)++ - -llnl_gamma 4.5 - log_k +2.0527 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)+2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 NH3 + 1.0000 Zn++ = Zn(NH3)2++ - -llnl_gamma 4.5 - log_k +4.2590 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)2+2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 NH3 + 1.0000 Zn++ = Zn(NH3)3++ - -llnl_gamma 4.5 - log_k +6.4653 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)3+2 -# Enthalpy of formation: -0 kcal/mol - -4.0000 NH3 + 1.0000 Zn++ = Zn(NH3)4++ - -llnl_gamma 4.5 - log_k +8.3738 - -delta_H -54.9027 kJ/mol # Calculated enthalpy of reaction Zn(NH3)4+2 + -analytic 3.6586e+2 1.2655e-1 -2.9546e+3 -1.5232e+2 -4.6213e+1 +# -Range: 0-300 + +2 N3- + Zn+2 = Zn(N3)2 + -llnl_gamma 3 + log_k 1.1954 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(N3)2 +# Enthalpy of formation: -0 kcal/mol + +Zn+2 + NH3 = Zn(NH3)+2 + -llnl_gamma 4.5 + log_k 2.0527 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)+2 +# Enthalpy of formation: -0 kcal/mol + +2 NH3 + Zn+2 = Zn(NH3)2+2 + -llnl_gamma 4.5 + log_k 4.259 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)2+2 +# Enthalpy of formation: -0 kcal/mol + +3 NH3 + Zn+2 = Zn(NH3)3+2 + -llnl_gamma 4.5 + log_k 6.4653 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(NH3)3+2 +# Enthalpy of formation: -0 kcal/mol + +4 NH3 + Zn+2 = Zn(NH3)4+2 + -llnl_gamma 4.5 + log_k 8.3738 + -delta_H -54.9027 kJ/mol # Calculated enthalpy of reaction Zn(NH3)4+2 # Enthalpy of formation: -533.636 kJ/mol - -analytic 1.5851e+002 -6.3376e-003 -4.6783e+003 -5.3560e+001 -7.3047e+001 -# -Range: 0-300 - -2.0000 H2O + 1.0000 Zn++ = Zn(OH)2 +2.0000 H+ - -llnl_gamma 3.0 - log_k -17.3282 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Zn++ = Zn(OH)3- +3.0000 H+ - -llnl_gamma 4.0 - log_k -28.8369 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 Zn++ = Zn(OH)4-- +4.0000 H+ - -llnl_gamma 4.0 - log_k -41.6052 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)4-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 H2O + 1.0000 Cl- = Zn(OH)Cl +1.0000 H+ - -llnl_gamma 3.0 - log_k -7.5417 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)Cl -# Enthalpy of formation: -0 kcal/mol - -2.0000 Thiocyanate- + 1.0000 Zn++ = Zn(Thiocyanate)2 - -llnl_gamma 3.0 - log_k +0.8800 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(Thiocyanate)2 -# Enthalpy of formation: -0 kcal/mol - -4.0000 Thiocyanate- + 1.0000 Zn++ = Zn(Thiocyanate)4-- - -llnl_gamma 4.0 - log_k +1.2479 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(Thiocyanate)4-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 Br- = ZnBr+ - -llnl_gamma 4.0 - log_k -0.6365 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 Br- + 1.0000 Zn++ = ZnBr2 - -llnl_gamma 3.0 - log_k -1.0492 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 Br- + 1.0000 Zn++ = ZnBr3- - -llnl_gamma 4.0 - log_k -1.8474 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr3- -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 HAcetate = ZnAcetate+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -3.1519 - -delta_H -9.87424 kJ/mol # Calculated enthalpy of reaction ZnAcetate+ + -analytic 1.5851e+2 -6.3376e-3 -4.6783e+3 -5.356e+1 -7.3047e+1 +# -Range: 0-300 + +2 H2O + Zn+2 = Zn(OH)2 + 2 H+ + -llnl_gamma 3 + log_k -17.3282 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)2 +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Zn+2 = Zn(OH)3- + 3 H+ + -llnl_gamma 4 + log_k -28.8369 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)3- +# Enthalpy of formation: -0 kcal/mol + +4 H2O + Zn+2 = Zn(OH)4-2 + 4 H+ + -llnl_gamma 4 + log_k -41.6052 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)4-2 +# Enthalpy of formation: -0 kcal/mol + +Zn+2 + H2O + Cl- = Zn(OH)Cl + H+ + -llnl_gamma 3 + log_k -7.5417 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)Cl +# Enthalpy of formation: -0 kcal/mol + +2 Thiocyanate- + Zn+2 = Zn(Thiocyanate)2 + -llnl_gamma 3 + log_k 0.88 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(Thiocyanate)2 +# Enthalpy of formation: -0 kcal/mol + +4 Thiocyanate- + Zn+2 = Zn(Thiocyanate)4-2 + -llnl_gamma 4 + log_k 1.2479 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(Thiocyanate)4-2 +# Enthalpy of formation: -0 kcal/mol + +Zn+2 + Br- = ZnBr+ + -llnl_gamma 4 + log_k -0.6365 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr+ +# Enthalpy of formation: -0 kcal/mol + +2 Br- + Zn+2 = ZnBr2 + -llnl_gamma 3 + log_k -1.0492 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr2 +# Enthalpy of formation: -0 kcal/mol + +3 Br- + Zn+2 = ZnBr3- + -llnl_gamma 4 + log_k -1.8474 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnBr3- +# Enthalpy of formation: -0 kcal/mol + +Zn+2 + HAcetate = ZnAcetate+ + H+ + -llnl_gamma 4 + log_k -3.1519 + -delta_H -9.87424 kJ/mol # Calculated enthalpy of reaction ZnAcetate+ # Enthalpy of formation: -155.12 kcal/mol - -analytic -7.9367e+000 2.8564e-003 -1.4514e+003 2.5010e+000 2.3343e+005 + -analytic -7.9367e+0 2.8564e-3 -1.4514e+3 2.501e+0 2.3343e+5 # -Range: 0-300 -1.0000 Zn++ + 1.0000 HCO3- = ZnCO3 +1.0000 H+ - -llnl_gamma 3.0 - log_k -6.4288 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnCO3 +Zn+2 + HCO3- = ZnCO3 + H+ + -llnl_gamma 3 + log_k -6.4288 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnCO3 # Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 Cl- = ZnCl+ - -llnl_gamma 4.0 - log_k +0.1986 - -delta_H 43.317 kJ/mol # Calculated enthalpy of reaction ZnCl+ + +Zn+2 + Cl- = ZnCl+ + -llnl_gamma 4 + log_k 0.1986 + -delta_H 43.317 kJ/mol # Calculated enthalpy of reaction ZnCl+ # Enthalpy of formation: -66.24 kcal/mol - -analytic 1.1235e+002 4.4461e-002 -4.1662e+003 -4.5023e+001 -6.5042e+001 + -analytic 1.1235e+2 4.4461e-2 -4.1662e+3 -4.5023e+1 -6.5042e+1 # -Range: 0-300 -2.0000 Cl- + 1.0000 Zn++ = ZnCl2 - -llnl_gamma 3.0 - log_k +0.2507 - -delta_H 31.1541 kJ/mol # Calculated enthalpy of reaction ZnCl2 +2 Cl- + Zn+2 = ZnCl2 + -llnl_gamma 3 + log_k 0.2507 + -delta_H 31.1541 kJ/mol # Calculated enthalpy of reaction ZnCl2 # Enthalpy of formation: -109.08 kcal/mol - -analytic 1.7824e+002 7.5733e-002 -4.6251e+003 -7.4770e+001 -7.2224e+001 + -analytic 1.7824e+2 7.5733e-2 -4.6251e+3 -7.477e+1 -7.2224e+1 # -Range: 0-300 -3.0000 Cl- + 1.0000 Zn++ = ZnCl3- - -llnl_gamma 4.0 - log_k -0.0198 - -delta_H 22.5894 kJ/mol # Calculated enthalpy of reaction ZnCl3- +3 Cl- + Zn+2 = ZnCl3- + -llnl_gamma 4 + log_k -0.0198 + -delta_H 22.5894 kJ/mol # Calculated enthalpy of reaction ZnCl3- # Enthalpy of formation: -151.06 kcal/mol - -analytic 1.3889e+002 7.4712e-002 -2.1527e+003 -6.2200e+001 -3.3633e+001 + -analytic 1.3889e+2 7.4712e-2 -2.1527e+3 -6.22e+1 -3.3633e+1 # -Range: 0-300 -4.0000 Cl- + 1.0000 Zn++ = ZnCl4-- - -llnl_gamma 4.0 - log_k +0.8605 - -delta_H 4.98733 kJ/mol # Calculated enthalpy of reaction ZnCl4-2 +4 Cl- + Zn+2 = ZnCl4-2 + -llnl_gamma 4 + log_k 0.8605 + -delta_H 4.98733 kJ/mol # Calculated enthalpy of reaction ZnCl4-2 # Enthalpy of formation: -195.2 kcal/mol - -analytic 8.4294e+001 7.0021e-002 3.9150e+002 -4.2664e+001 6.0834e+000 + -analytic 8.4294e+1 7.0021e-2 3.915e+2 -4.2664e+1 6.0834e+0 # -Range: 0-300 -1.0000 Zn++ + 1.0000 ClO4- = ZnClO4+ - -llnl_gamma 4.0 - log_k +1.2768 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnClO4+ +Zn+2 + ClO4- = ZnClO4+ + -llnl_gamma 4 + log_k 1.2768 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnClO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 F- = ZnF+ - -llnl_gamma 4.0 - log_k +1.1500 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnF+ + +Zn+2 + F- = ZnF+ + -llnl_gamma 4 + log_k 1.15 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnF+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 HPO4-- + 1.0000 H+ = ZnH2PO4+ - -llnl_gamma 4.0 - log_k +0.4300 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnH2PO4+ + +Zn+2 + HPO4-2 + H+ = ZnH2PO4+ + -llnl_gamma 4 + log_k 0.43 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnH2PO4+ # Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 HCO3- = ZnHCO3+ - -llnl_gamma 4.0 - log_k +1.4200 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnHCO3+ + +Zn+2 + HCO3- = ZnHCO3+ + -llnl_gamma 4 + log_k 1.42 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnHCO3+ # Enthalpy of formation: -0 kcal/mol - -analytic 5.1115e+002 1.2911e-001 -1.5292e+004 -2.0083e+002 -2.2721e+002 + -analytic 5.1115e+2 1.2911e-1 -1.5292e+4 -2.0083e+2 -2.2721e+2 # -Range: 25-300 -1.0000 Zn++ + 1.0000 HPO4-- = ZnHPO4 - -llnl_gamma 3.0 - log_k +3.2600 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnHPO4 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 I- = ZnI+ - -llnl_gamma 4.0 - log_k -3.0134 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI+ -# Enthalpy of formation: -0 kcal/mol - -2.0000 I- + 1.0000 Zn++ = ZnI2 - -llnl_gamma 3.0 - log_k -1.8437 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 I- + 1.0000 Zn++ = ZnI3- - -llnl_gamma 4.0 - log_k -2.0054 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI3- -# Enthalpy of formation: -0 kcal/mol - -4.0000 I- + 1.0000 Zn++ = ZnI4-- - -llnl_gamma 4.0 - log_k -2.6052 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI4-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 N3- = ZnN3+ - -llnl_gamma 4.0 - log_k +0.4420 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnN3+ -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 H2O = ZnOH+ +1.0000 H+ - -llnl_gamma 4.0 - log_k -8.96 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnOH+ -# Enthalpy of formation: -0 kcal/mol - -analytic -7.8600e-001 -2.9499e-004 -2.8673e+003 6.1892e-001 -4.2576e+001 +Zn+2 + HPO4-2 = ZnHPO4 + -llnl_gamma 3 + log_k 3.26 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnHPO4 +# Enthalpy of formation: -0 kcal/mol + +Zn+2 + I- = ZnI+ + -llnl_gamma 4 + log_k -3.0134 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI+ +# Enthalpy of formation: -0 kcal/mol + +2 I- + Zn+2 = ZnI2 + -llnl_gamma 3 + log_k -1.8437 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI2 +# Enthalpy of formation: -0 kcal/mol + +3 I- + Zn+2 = ZnI3- + -llnl_gamma 4 + log_k -2.0054 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI3- +# Enthalpy of formation: -0 kcal/mol + +4 I- + Zn+2 = ZnI4-2 + -llnl_gamma 4 + log_k -2.6052 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnI4-2 +# Enthalpy of formation: -0 kcal/mol + +Zn+2 + N3- = ZnN3+ + -llnl_gamma 4 + log_k 0.442 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnN3+ +# Enthalpy of formation: -0 kcal/mol + +Zn+2 + H2O = ZnOH+ + H+ + -llnl_gamma 4 + log_k -8.96 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnOH+ +# Enthalpy of formation: -0 kcal/mol + -analytic -7.86e-1 -2.9499e-4 -2.8673e+3 6.1892e-1 -4.2576e+1 # -Range: 25-300 -1.0000 Zn++ + 1.0000 HPO4-- = ZnPO4- +1.0000 H+ - -llnl_gamma 4.0 - log_k -4.3018 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnPO4- +Zn+2 + HPO4-2 = ZnPO4- + H+ + -llnl_gamma 4 + log_k -4.3018 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnPO4- # Enthalpy of formation: -0 kcal/mol - -1.0000 Zn++ + 1.0000 SO4-- = ZnSO4 - -llnl_gamma 3.0 - log_k +2.3062 - -delta_H 15.277 kJ/mol # Calculated enthalpy of reaction ZnSO4 + +Zn+2 + SO4-2 = ZnSO4 + -llnl_gamma 3 + log_k 2.3062 + -delta_H 15.277 kJ/mol # Calculated enthalpy of reaction ZnSO4 # Enthalpy of formation: -1047.71 kJ/mol - -analytic 1.3640e+002 5.1256e-002 -3.4422e+003 -5.5695e+001 -5.8501e+001 -# -Range: 0-200 - -1.0000 Zn++ + 1.0000 SeO4-- = ZnSeO4 - -llnl_gamma 3.0 - log_k +2.1900 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnSeO4 -# Enthalpy of formation: -0 kcal/mol - -3.0000 H2O + 1.0000 Zr++++ = Zr(OH)3+ +3.0000 H+ - -llnl_gamma 4.0 - log_k -0.6693 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)3+ -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 1.0000 Zr++++ = Zr(OH)4 +4.0000 H+ - -llnl_gamma 3.0 - log_k -1.4666 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)4 -# Enthalpy of formation: -0 kcal/mol - -5.0000 H2O + 1.0000 Zr++++ = Zr(OH)5- +5.0000 H+ - -llnl_gamma 4.0 - log_k -15.9754 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)5- -# Enthalpy of formation: -0 kcal/mol - -2.0000 SO4-- + 1.0000 Zr++++ = Zr(SO4)2 - -llnl_gamma 3.0 - log_k +6.2965 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(SO4)2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 SO4-- + 1.0000 Zr++++ = Zr(SO4)3-- - -llnl_gamma 4.0 - log_k +7.3007 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(SO4)3-2 -# Enthalpy of formation: -0 kcal/mol - -4.0000 H2O + 3.0000 Zr++++ = Zr3(OH)4+8 +4.0000 H+ - -llnl_gamma 6.0 - log_k -0.5803 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zr3(OH)4+8 -# Enthalpy of formation: -0 kcal/mol - -8.0000 H2O + 4.0000 Zr++++ = Zr4(OH)8+8 +8.0000 H+ - -llnl_gamma 6.0 - log_k -5.9606 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zr4(OH)8+8 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zr++++ + 1.0000 F- = ZrF+++ - -llnl_gamma 5.0 - log_k +8.5835 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF+3 -# Enthalpy of formation: -0 kcal/mol - -2.0000 F- + 1.0000 Zr++++ = ZrF2++ - -llnl_gamma 4.5 - log_k +15.7377 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF2+2 -# Enthalpy of formation: -0 kcal/mol - -3.0000 F- + 1.0000 Zr++++ = ZrF3+ - -llnl_gamma 4.0 - log_k +21.2792 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF3+ -# Enthalpy of formation: -0 kcal/mol - -4.0000 F- + 1.0000 Zr++++ = ZrF4 - -llnl_gamma 3.0 - log_k +25.9411 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4 -# Enthalpy of formation: -0 kcal/mol - -5.0000 F- + 1.0000 Zr++++ = ZrF5- - -llnl_gamma 4.0 - log_k +30.3098 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF5- -# Enthalpy of formation: -0 kcal/mol - -6.0000 F- + 1.0000 Zr++++ = ZrF6-- - -llnl_gamma 4.0 - log_k +34.0188 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF6-2 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zr++++ + 1.0000 H2O = ZrOH+++ +1.0000 H+ - -llnl_gamma 5.0 - log_k +0.0457 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrOH+3 -# Enthalpy of formation: -0 kcal/mol - -1.0000 Zr++++ + 1.0000 SO4-- = ZrSO4++ - -llnl_gamma 4.5 - log_k +3.6064 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrSO4+2 -# Enthalpy of formation: -0 kcal/mol - -2.0000 H+ + 1.0000 O_phthalate-2 = H2O_phthalate - -llnl_gamma 3.0 - log_k +8.3580 - -delta_H 0 # Not possible to calculate enthalpy of reaction H2O_phthalate -# Enthalpy of formation: -0 kcal/mol - + -analytic 1.364e+2 5.1256e-2 -3.4422e+3 -5.5695e+1 -5.8501e+1 +# -Range: 0-200 + +Zn+2 + SeO4-2 = ZnSeO4 + -llnl_gamma 3 + log_k 2.19 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnSeO4 +# Enthalpy of formation: -0 kcal/mol + +3 H2O + Zr+4 = Zr(OH)3+ + 3 H+ + -llnl_gamma 4 + log_k -0.6693 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)3+ +# Enthalpy of formation: -0 kcal/mol + +4 H2O + Zr+4 = Zr(OH)4 + 4 H+ + -llnl_gamma 3 + log_k -1.4666 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)4 +# Enthalpy of formation: -0 kcal/mol + +5 H2O + Zr+4 = Zr(OH)5- + 5 H+ + -llnl_gamma 4 + log_k -15.9754 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(OH)5- +# Enthalpy of formation: -0 kcal/mol + +2 SO4-2 + Zr+4 = Zr(SO4)2 + -llnl_gamma 3 + log_k 6.2965 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(SO4)2 +# Enthalpy of formation: -0 kcal/mol + +3 SO4-2 + Zr+4 = Zr(SO4)3-2 + -llnl_gamma 4 + log_k 7.3007 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(SO4)3-2 +# Enthalpy of formation: -0 kcal/mol + +4 H2O + 3 Zr+4 = Zr3(OH)4+8 + 4 H+ + -llnl_gamma 6 + log_k -0.5803 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zr3(OH)4+8 +# Enthalpy of formation: -0 kcal/mol + +8 H2O + 4 Zr+4 = Zr4(OH)8+8 + 8 H+ + -llnl_gamma 6 + log_k -5.9606 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zr4(OH)8+8 +# Enthalpy of formation: -0 kcal/mol + +Zr+4 + F- = ZrF+3 + -llnl_gamma 5 + log_k 8.5835 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF+3 +# Enthalpy of formation: -0 kcal/mol + +2 F- + Zr+4 = ZrF2+2 + -llnl_gamma 4.5 + log_k 15.7377 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF2+2 +# Enthalpy of formation: -0 kcal/mol + +3 F- + Zr+4 = ZrF3+ + -llnl_gamma 4 + log_k 21.2792 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF3+ +# Enthalpy of formation: -0 kcal/mol + +4 F- + Zr+4 = ZrF4 + -llnl_gamma 3 + log_k 25.9411 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4 +# Enthalpy of formation: -0 kcal/mol + +5 F- + Zr+4 = ZrF5- + -llnl_gamma 4 + log_k 30.3098 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF5- +# Enthalpy of formation: -0 kcal/mol + +6 F- + Zr+4 = ZrF6-2 + -llnl_gamma 4 + log_k 34.0188 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF6-2 +# Enthalpy of formation: -0 kcal/mol + +Zr+4 + H2O = ZrOH+3 + H+ + -llnl_gamma 5 + log_k 0.0457 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrOH+3 +# Enthalpy of formation: -0 kcal/mol + +Zr+4 + SO4-2 = ZrSO4+2 + -llnl_gamma 4.5 + log_k 3.6064 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrSO4+2 +# Enthalpy of formation: -0 kcal/mol + +2 H+ + O_phthalate-2 = H2O_phthalate + -llnl_gamma 3 + log_k 8.358 + -delta_H 0 # Not possible to calculate enthalpy of reaction H2O_phthalate +# Enthalpy of formation: -0 kcal/mol + PHASES # 1122 minerals (UO2)2As2O7 - (UO2)2As2O7 +2.0000 H+ +1.0000 H2O = + 2.0000 H2AsO4- + 2.0000 UO2++ - log_k 7.7066 - -delta_H -145.281 kJ/mol # Calculated enthalpy of reaction (UO2)2As2O7 + (UO2)2As2O7 + 2 H+ + H2O = 2 H2AsO4- + 2 UO2+2 + log_k 7.7066 + -delta_H -145.281 kJ/mol # Calculated enthalpy of reaction (UO2)2As2O7 # Enthalpy of formation: -3426 kJ/mol - -analytic -1.6147e+002 -6.3487e-002 1.0052e+004 6.2384e+001 1.5691e+002 + -analytic -1.6147e+2 -6.3487e-2 1.0052e+4 6.2384e+1 1.5691e+2 # -Range: 0-300 (UO2)2Cl3 - (UO2)2Cl3 = + 1.0000 UO2+ + 1.0000 UO2++ + 3.0000 Cl- - log_k 12.7339 - -delta_H -140.866 kJ/mol # Calculated enthalpy of reaction (UO2)2Cl3 + (UO2)2Cl3 = UO2+ + UO2+2 + 3 Cl- + log_k 12.7339 + -delta_H -140.866 kJ/mol # Calculated enthalpy of reaction (UO2)2Cl3 # Enthalpy of formation: -2404.5 kJ/mol - -analytic -2.3895e+002 -9.2925e-002 1.1722e+004 9.6999e+001 1.8298e+002 + -analytic -2.3895e+2 -9.2925e-2 1.1722e+4 9.6999e+1 1.8298e+2 # -Range: 0-300 (UO2)2P2O7 - (UO2)2P2O7 +1.0000 H2O = + 2.0000 HPO4-- + 2.0000 UO2++ - log_k -14.6827 - -delta_H -103.726 kJ/mol # Calculated enthalpy of reaction (UO2)2P2O7 + (UO2)2P2O7 + H2O = 2 HPO4-2 + 2 UO2+2 + log_k -14.6827 + -delta_H -103.726 kJ/mol # Calculated enthalpy of reaction (UO2)2P2O7 # Enthalpy of formation: -4232.6 kJ/mol - -analytic -3.4581e+002 -1.3987e-001 1.0703e+004 1.3613e+002 1.6712e+002 + -analytic -3.4581e+2 -1.3987e-1 1.0703e+4 1.3613e+2 1.6712e+2 # -Range: 0-300 (UO2)3(AsO4)2 - (UO2)3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 UO2++ - log_k 9.3177 - -delta_H -186.72 kJ/mol # Calculated enthalpy of reaction (UO2)3(AsO4)2 + (UO2)3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 UO2+2 + log_k 9.3177 + -delta_H -186.72 kJ/mol # Calculated enthalpy of reaction (UO2)3(AsO4)2 # Enthalpy of formation: -4689.4 kJ/mol - -analytic -1.9693e+002 -7.3236e-002 1.2936e+004 7.4631e+001 2.0192e+002 + -analytic -1.9693e+2 -7.3236e-2 1.2936e+4 7.4631e+1 2.0192e+2 # -Range: 0-300 (UO2)3(PO4)2 - (UO2)3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 UO2++ - log_k -14.0241 - -delta_H -149.864 kJ/mol # Calculated enthalpy of reaction (UO2)3(PO4)2 + (UO2)3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 UO2+2 + log_k -14.0241 + -delta_H -149.864 kJ/mol # Calculated enthalpy of reaction (UO2)3(PO4)2 # Enthalpy of formation: -5491.3 kJ/mol - -analytic -3.6664e+002 -1.4347e-001 1.3486e+004 1.4148e+002 2.1054e+002 + -analytic -3.6664e+2 -1.4347e-1 1.3486e+4 1.4148e+2 2.1054e+2 # -Range: 0-300 (UO2)3(PO4)2:4H2O - (UO2)3(PO4)2:4H2O +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 UO2++ + 4.0000 H2O - log_k -27.0349 - -delta_H -45.4132 kJ/mol # Calculated enthalpy of reaction (UO2)3(PO4)2:4H2O + (UO2)3(PO4)2:4H2O + 2 H+ = 2 HPO4-2 + 3 UO2+2 + 4 H2O + log_k -27.0349 + -delta_H -45.4132 kJ/mol # Calculated enthalpy of reaction (UO2)3(PO4)2:4H2O # Enthalpy of formation: -6739.1 kJ/mol - -analytic -1.5721e+002 -4.1375e-002 5.2046e+003 5.0531e+001 8.8434e+001 + -analytic -1.5721e+2 -4.1375e-2 5.2046e+3 5.0531e+1 8.8434e+1 # -Range: 0-200 (VO)3(PO4)2 - (VO)3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 VO++ - log_k 48.7864 - -delta_H 0 # Not possible to calculate enthalpy of reaction (VO)3(PO4)2 + (VO)3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 VO+2 + log_k 48.7864 + -delta_H 0 # Not possible to calculate enthalpy of reaction (VO)3(PO4)2 # Enthalpy of formation: 0 kcal/mol Acanthite - Ag2S +1.0000 H+ = + 1.0000 HS- + 2.0000 Ag+ - log_k -36.0346 - -delta_H 226.982 kJ/mol # Calculated enthalpy of reaction Acanthite + Ag2S + H+ = HS- + 2 Ag+ + log_k -36.0346 + -delta_H 226.982 kJ/mol # Calculated enthalpy of reaction Acanthite # Enthalpy of formation: -7.55 kcal/mol - -analytic -1.6067e+002 -4.7139e-002 -7.4522e+003 6.6140e+001 -1.1624e+002 + -analytic -1.6067e+2 -4.7139e-2 -7.4522e+3 6.614e+1 -1.1624e+2 # -Range: 0-300 Afwillite - Ca3Si2O4(OH)6 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 Ca++ + 6.0000 H2O - log_k 60.0452 - -delta_H -316.059 kJ/mol # Calculated enthalpy of reaction Afwillite + Ca3Si2O4(OH)6 + 6 H+ = 2 SiO2 + 3 Ca+2 + 6 H2O + log_k 60.0452 + -delta_H -316.059 kJ/mol # Calculated enthalpy of reaction Afwillite # Enthalpy of formation: -1143.31 kcal/mol - -analytic 1.8353e+001 1.9014e-003 1.8478e+004 -6.6311e+000 -4.0227e+005 + -analytic 1.8353e+1 1.9014e-3 1.8478e+4 -6.6311e+0 -4.0227e+5 # -Range: 0-300 Ag - Ag +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Ag+ - log_k 7.9937 - -delta_H -34.1352 kJ/mol # Calculated enthalpy of reaction Ag + Ag + H+ + 0.25 O2 = 0.5 H2O + Ag+ + log_k 7.9937 + -delta_H -34.1352 kJ/mol # Calculated enthalpy of reaction Ag # Enthalpy of formation: 0 kcal/mol - -analytic -1.4144e+001 -3.8466e-003 2.2642e+003 6.3388e+000 3.5334e+001 + -analytic -1.4144e+1 -3.8466e-3 2.2642e+3 6.3388e+0 3.5334e+1 # -Range: 0-300 Ag3PO4 - Ag3PO4 +1.0000 H+ = + 1.0000 HPO4-- + 3.0000 Ag+ - log_k -5.2282 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ag3PO4 + Ag3PO4 + H+ = HPO4-2 + 3 Ag+ + log_k -5.2282 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ag3PO4 # Enthalpy of formation: 0 kcal/mol Ahlfeldite - NiSeO3:2H2O = + 1.0000 Ni++ + 1.0000 SeO3-- + 2.0000 H2O - log_k -4.4894 - -delta_H -25.7902 kJ/mol # Calculated enthalpy of reaction Ahlfeldite + NiSeO3:2H2O = Ni+2 + SeO3-2 + 2 H2O + log_k -4.4894 + -delta_H -25.7902 kJ/mol # Calculated enthalpy of reaction Ahlfeldite # Enthalpy of formation: -265.07 kcal/mol - -analytic -2.6210e+001 -1.6952e-002 1.0405e+003 9.4054e+000 1.7678e+001 + -analytic -2.621e+1 -1.6952e-2 1.0405e+3 9.4054e+0 1.7678e+1 # -Range: 0-200 Akermanite - Ca2MgSi2O7 +6.0000 H+ = + 1.0000 Mg++ + 2.0000 Ca++ + 2.0000 SiO2 + 3.0000 H2O - log_k 45.3190 - -delta_H -288.575 kJ/mol # Calculated enthalpy of reaction Akermanite + Ca2MgSi2O7 + 6 H+ = Mg+2 + 2 Ca+2 + 2 SiO2 + 3 H2O + log_k 45.319 + -delta_H -288.575 kJ/mol # Calculated enthalpy of reaction Akermanite # Enthalpy of formation: -926.497 kcal/mol - -analytic -4.8295e+001 -8.5613e-003 2.0880e+004 1.3798e+001 -7.1975e+005 + -analytic -4.8295e+1 -8.5613e-3 2.088e+4 1.3798e+1 -7.1975e+5 # -Range: 0-300 Al - Al +3.0000 H+ +0.7500 O2 = + 1.0000 Al+++ + 1.5000 H2O - log_k 149.9292 - -delta_H -958.059 kJ/mol # Calculated enthalpy of reaction Al + Al + 3 H+ + 0.75 O2 = Al+3 + 1.5 H2O + log_k 149.9292 + -delta_H -958.059 kJ/mol # Calculated enthalpy of reaction Al # Enthalpy of formation: 0 kJ/mol - -analytic -1.8752e+002 -4.6187e-002 5.7127e+004 6.6270e+001 -3.8952e+005 + -analytic -1.8752e+2 -4.6187e-2 5.7127e+4 6.627e+1 -3.8952e+5 # -Range: 0-300 Al2(SO4)3 - Al2(SO4)3 = + 2.0000 Al+++ + 3.0000 SO4-- - log_k 19.0535 - -delta_H -364.566 kJ/mol # Calculated enthalpy of reaction Al2(SO4)3 + Al2(SO4)3 = 2 Al+3 + 3 SO4-2 + log_k 19.0535 + -delta_H -364.566 kJ/mol # Calculated enthalpy of reaction Al2(SO4)3 # Enthalpy of formation: -3441.04 kJ/mol - -analytic -6.1001e+002 -2.4268e-001 2.9194e+004 2.4383e+002 4.5573e+002 + -analytic -6.1001e+2 -2.4268e-1 2.9194e+4 2.4383e+2 4.5573e+2 # -Range: 0-300 Al2(SO4)3:6H2O - Al2(SO4)3:6H2O = + 2.0000 Al+++ + 3.0000 SO4-- + 6.0000 H2O - log_k 1.6849 - -delta_H -208.575 kJ/mol # Calculated enthalpy of reaction Al2(SO4)3:6H2O + Al2(SO4)3:6H2O = 2 Al+3 + 3 SO4-2 + 6 H2O + log_k 1.6849 + -delta_H -208.575 kJ/mol # Calculated enthalpy of reaction Al2(SO4)3:6H2O # Enthalpy of formation: -5312.06 kJ/mol - -analytic -7.1642e+002 -2.4552e-001 2.6064e+004 2.8441e+002 4.0691e+002 + -analytic -7.1642e+2 -2.4552e-1 2.6064e+4 2.8441e+2 4.0691e+2 # -Range: 0-300 AlF3 - AlF3 = + 1.0000 Al+++ + 3.0000 F- - log_k -17.2089 - -delta_H -34.0441 kJ/mol # Calculated enthalpy of reaction AlF3 + AlF3 = Al+3 + 3 F- + log_k -17.2089 + -delta_H -34.0441 kJ/mol # Calculated enthalpy of reaction AlF3 # Enthalpy of formation: -1510.4 kJ/mol - -analytic -3.9865e+002 -1.3388e-001 1.0211e+004 1.5642e+002 1.5945e+002 + -analytic -3.9865e+2 -1.3388e-1 1.0211e+4 1.5642e+2 1.5945e+2 # -Range: 0-300 Alabandite - MnS +1.0000 H+ = + 1.0000 HS- + 1.0000 Mn++ - log_k -0.3944 - -delta_H -23.3216 kJ/mol # Calculated enthalpy of reaction Alabandite + MnS + H+ = HS- + Mn+2 + log_k -0.3944 + -delta_H -23.3216 kJ/mol # Calculated enthalpy of reaction Alabandite # Enthalpy of formation: -51 kcal/mol - -analytic -1.5515e+002 -4.8820e-002 4.9049e+003 6.1765e+001 7.6583e+001 + -analytic -1.5515e+2 -4.882e-2 4.9049e+3 6.1765e+1 7.6583e+1 # -Range: 0-300 Alamosite - PbSiO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 Pb++ + 1.0000 SiO2 - log_k 5.6733 - -delta_H -16.5164 kJ/mol # Calculated enthalpy of reaction Alamosite + PbSiO3 + 2 H+ = H2O + Pb+2 + SiO2 + log_k 5.6733 + -delta_H -16.5164 kJ/mol # Calculated enthalpy of reaction Alamosite # Enthalpy of formation: -1146.1 kJ/mol - -analytic 2.9941e+002 6.7871e-002 -8.1706e+003 -1.1582e+002 -1.3885e+002 + -analytic 2.9941e+2 6.7871e-2 -8.1706e+3 -1.1582e+2 -1.3885e+2 # -Range: 0-200 Albite - NaAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 SiO2 - log_k 2.7645 - -delta_H -51.8523 kJ/mol # Calculated enthalpy of reaction Albite + NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2 + log_k 2.7645 + -delta_H -51.8523 kJ/mol # Calculated enthalpy of reaction Albite # Enthalpy of formation: -939.68 kcal/mol - -analytic -1.1694e+001 1.4429e-002 1.3784e+004 -7.2866e+000 -1.6136e+006 + -analytic -1.1694e+1 1.4429e-2 1.3784e+4 -7.2866e+0 -1.6136e+6 # -Range: 0-300 Albite_high - NaAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 SiO2 - log_k 4.0832 - -delta_H -62.8562 kJ/mol # Calculated enthalpy of reaction Albite_high + NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2 + log_k 4.0832 + -delta_H -62.8562 kJ/mol # Calculated enthalpy of reaction Albite_high # Enthalpy of formation: -937.05 kcal/mol - -analytic -1.8957e+001 1.3726e-002 1.4801e+004 -4.9732e+000 -1.6442e+006 + -analytic -1.8957e+1 1.3726e-2 1.4801e+4 -4.9732e+0 -1.6442e+6 # -Range: 0-300 Albite_low - NaAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 3.0000 SiO2 - log_k 2.7645 - -delta_H -51.8523 kJ/mol # Calculated enthalpy of reaction Albite_low + NaAlSi3O8 + 4 H+ = Al+3 + Na+ + 2 H2O + 3 SiO2 + log_k 2.7645 + -delta_H -51.8523 kJ/mol # Calculated enthalpy of reaction Albite_low # Enthalpy of formation: -939.68 kcal/mol - -analytic -1.2860e+001 1.4481e-002 1.3913e+004 -6.9417e+000 -1.6256e+006 + -analytic -1.286e+1 1.4481e-2 1.3913e+4 -6.9417e+0 -1.6256e+6 # -Range: 0-300 Alstonite - BaCa(CO3)2 +2.0000 H+ = + 1.0000 Ba++ + 1.0000 Ca++ + 2.0000 HCO3- - log_k 2.5843 - -delta_H 0 # Not possible to calculate enthalpy of reaction Alstonite + BaCa(CO3)2 + 2 H+ = Ba+2 + Ca+2 + 2 HCO3- + log_k 2.5843 + -delta_H 0 # Not possible to calculate enthalpy of reaction Alstonite # Enthalpy of formation: 0 kcal/mol Alum-K - KAl(SO4)2:12H2O = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 SO4-- + 12.0000 H2O - log_k -4.8818 - -delta_H 14.4139 kJ/mol # Calculated enthalpy of reaction Alum-K + KAl(SO4)2:12H2O = Al+3 + K+ + 2 SO4-2 + 12 H2O + log_k -4.8818 + -delta_H 14.4139 kJ/mol # Calculated enthalpy of reaction Alum-K # Enthalpy of formation: -1447 kcal/mol - -analytic -8.8025e+002 -2.5706e-001 2.2399e+004 3.5434e+002 3.4978e+002 + -analytic -8.8025e+2 -2.5706e-1 2.2399e+4 3.5434e+2 3.4978e+2 # -Range: 0-300 Alunite - KAl3(OH)6(SO4)2 +6.0000 H+ = + 1.0000 K+ + 2.0000 SO4-- + 3.0000 Al+++ + 6.0000 H2O - log_k -0.3479 - -delta_H -231.856 kJ/mol # Calculated enthalpy of reaction Alunite + KAl3(OH)6(SO4)2 + 6 H+ = K+ + 2 SO4-2 + 3 Al+3 + 6 H2O + log_k -0.3479 + -delta_H -231.856 kJ/mol # Calculated enthalpy of reaction Alunite # Enthalpy of formation: -1235.6 kcal/mol - -analytic -6.8581e+002 -2.2455e-001 2.6886e+004 2.6758e+002 4.1973e+002 + -analytic -6.8581e+2 -2.2455e-1 2.6886e+4 2.6758e+2 4.1973e+2 # -Range: 0-300 Am - Am +3.0000 H+ +0.7500 O2 = + 1.0000 Am+++ + 1.5000 H2O - log_k 169.3900 - -delta_H -1036.36 kJ/mol # Calculated enthalpy of reaction Am + Am + 3 H+ + 0.75 O2 = Am+3 + 1.5 H2O + log_k 169.39 + -delta_H -1036.36 kJ/mol # Calculated enthalpy of reaction Am # Enthalpy of formation: 0 kJ/mol - -analytic -6.7924e+000 -8.9873e-003 5.3327e+004 0.0000e+000 0.0000e+000 + -analytic -6.7924e+0 -8.9873e-3 5.3327e+4 0e+0 0e+0 # -Range: 0-300 Am(OH)3 - Am(OH)3 +3.0000 H+ = + 1.0000 Am+++ + 3.0000 H2O - log_k 15.2218 - -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3 + Am(OH)3 + 3 H+ = Am+3 + 3 H2O + log_k 15.2218 + -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3 # Enthalpy of formation: 0 kcal/mol Am(OH)3(am) - Am(OH)3 +3.0000 H+ = + 1.0000 Am+++ + 3.0000 H2O - log_k 17.0217 - -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3(am) + Am(OH)3 + 3 H+ = Am+3 + 3 H2O + log_k 17.0217 + -delta_H 0 # Not possible to calculate enthalpy of reaction Am(OH)3(am) # Enthalpy of formation: 0 kcal/mol Am2(CO3)3 - Am2(CO3)3 +3.0000 H+ = + 2.0000 Am+++ + 3.0000 HCO3- - log_k -2.3699 - -delta_H 0 # Not possible to calculate enthalpy of reaction Am2(CO3)3 + Am2(CO3)3 + 3 H+ = 2 Am+3 + 3 HCO3- + log_k -2.3699 + -delta_H 0 # Not possible to calculate enthalpy of reaction Am2(CO3)3 # Enthalpy of formation: 0 kcal/mol Am2C3 - Am2C3 +4.5000 O2 +3.0000 H+ = + 2.0000 Am+++ + 3.0000 HCO3- - log_k 503.9594 - -delta_H -3097.6 kJ/mol # Calculated enthalpy of reaction Am2C3 + Am2C3 + 4.5 O2 + 3 H+ = 2 Am+3 + 3 HCO3- + log_k 503.9594 + -delta_H -3097.6 kJ/mol # Calculated enthalpy of reaction Am2C3 # Enthalpy of formation: -151 kJ/mol - -analytic 3.3907e+002 -4.2636e-003 1.4463e+005 -1.2891e+002 2.4559e+003 + -analytic 3.3907e+2 -4.2636e-3 1.4463e+5 -1.2891e+2 2.4559e+3 # -Range: 0-200 Am2O3 - Am2O3 +6.0000 H+ = + 2.0000 Am+++ + 3.0000 H2O - log_k 51.7905 - -delta_H -400.515 kJ/mol # Calculated enthalpy of reaction Am2O3 + Am2O3 + 6 H+ = 2 Am+3 + 3 H2O + log_k 51.7905 + -delta_H -400.515 kJ/mol # Calculated enthalpy of reaction Am2O3 # Enthalpy of formation: -1690.4 kJ/mol - -analytic -9.2044e+001 -1.8883e-002 2.3028e+004 2.9192e+001 3.5935e+002 + -analytic -9.2044e+1 -1.8883e-2 2.3028e+4 2.9192e+1 3.5935e+2 # -Range: 0-300 AmBr3 - AmBr3 = + 1.0000 Am+++ + 3.0000 Br- - log_k 21.7826 - -delta_H -171.21 kJ/mol # Calculated enthalpy of reaction AmBr3 + AmBr3 = Am+3 + 3 Br- + log_k 21.7826 + -delta_H -171.21 kJ/mol # Calculated enthalpy of reaction AmBr3 # Enthalpy of formation: -810 kJ/mol - -analytic 1.0121e+001 -3.0622e-002 6.1964e+003 0.0000e+000 0.0000e+000 + -analytic 1.0121e+1 -3.0622e-2 6.1964e+3 0e+0 0e+0 # -Range: 0-200 AmCl3 - AmCl3 = + 1.0000 Am+++ + 3.0000 Cl- - log_k 14.3513 - -delta_H -140.139 kJ/mol # Calculated enthalpy of reaction AmCl3 + AmCl3 = Am+3 + 3 Cl- + log_k 14.3513 + -delta_H -140.139 kJ/mol # Calculated enthalpy of reaction AmCl3 # Enthalpy of formation: -977.8 kJ/mol - -analytic -1.5000e+001 -3.6701e-002 5.2281e+003 9.1942e+000 8.8785e+001 + -analytic -1.5e+1 -3.6701e-2 5.2281e+3 9.1942e+0 8.8785e+1 # -Range: 0-200 AmF3 - AmF3 = + 1.0000 Am+++ + 3.0000 F- - log_k -13.1190 - -delta_H -34.7428 kJ/mol # Calculated enthalpy of reaction AmF3 + AmF3 = Am+3 + 3 F- + log_k -13.119 + -delta_H -34.7428 kJ/mol # Calculated enthalpy of reaction AmF3 # Enthalpy of formation: -1588 kJ/mol - -analytic -4.0514e+001 -3.7312e-002 4.1626e+002 1.4999e+001 7.0827e+000 + -analytic -4.0514e+1 -3.7312e-2 4.1626e+2 1.4999e+1 7.0827e+0 # -Range: 0-200 AmF4 - AmF4 = + 1.0000 Am++++ + 4.0000 F- - log_k -25.1354 - -delta_H -37.3904 kJ/mol # Calculated enthalpy of reaction AmF4 + AmF4 = Am+4 + 4 F- + log_k -25.1354 + -delta_H -37.3904 kJ/mol # Calculated enthalpy of reaction AmF4 # Enthalpy of formation: -1710 kJ/mol - -analytic -4.9592e+001 -4.5210e-002 -9.7251e+001 1.5457e+001 -1.6348e+000 + -analytic -4.9592e+1 -4.521e-2 -9.7251e+1 1.5457e+1 -1.6348e+0 # -Range: 0-200 AmH2 - AmH2 +2.0000 H+ +1.0000 O2 = + 1.0000 Am++ + 2.0000 H2O - log_k 128.4208 - -delta_H -738.376 kJ/mol # Calculated enthalpy of reaction AmH2 + AmH2 + 2 H+ + O2 = Am+2 + 2 H2O + log_k 128.4208 + -delta_H -738.376 kJ/mol # Calculated enthalpy of reaction AmH2 # Enthalpy of formation: -175.8 kJ/mol - -analytic 3.1175e+001 -1.4062e-002 3.6259e+004 -8.1600e+000 5.6578e+002 + -analytic 3.1175e+1 -1.4062e-2 3.6259e+4 -8.16e+0 5.6578e+2 # -Range: 0-300 AmI3 - AmI3 = + 1.0000 Am+++ + 3.0000 I- - log_k 24.7301 - -delta_H -175.407 kJ/mol # Calculated enthalpy of reaction AmI3 + AmI3 = Am+3 + 3 I- + log_k 24.7301 + -delta_H -175.407 kJ/mol # Calculated enthalpy of reaction AmI3 # Enthalpy of formation: -612 kJ/mol - -analytic -1.3886e+001 -3.6651e-002 7.2094e+003 1.0247e+001 1.2243e+002 + -analytic -1.3886e+1 -3.6651e-2 7.2094e+3 1.0247e+1 1.2243e+2 # -Range: 0-200 AmO2 - AmO2 +4.0000 H+ = + 1.0000 Am++++ + 2.0000 H2O - log_k -9.4203 - -delta_H -45.4767 kJ/mol # Calculated enthalpy of reaction AmO2 + AmO2 + 4 H+ = Am+4 + 2 H2O + log_k -9.4203 + -delta_H -45.4767 kJ/mol # Calculated enthalpy of reaction AmO2 # Enthalpy of formation: -932.2 kJ/mol - -analytic -7.4658e+001 -1.1661e-002 4.2059e+003 2.2070e+001 6.5650e+001 + -analytic -7.4658e+1 -1.1661e-2 4.2059e+3 2.207e+1 6.565e+1 # -Range: 0-300 AmOBr - AmOBr +2.0000 H+ = + 1.0000 Am+++ + 1.0000 Br- + 1.0000 H2O - log_k 13.7637 - -delta_H -131.042 kJ/mol # Calculated enthalpy of reaction AmOBr + AmOBr + 2 H+ = Am+3 + Br- + H2O + log_k 13.7637 + -delta_H -131.042 kJ/mol # Calculated enthalpy of reaction AmOBr # Enthalpy of formation: -893 kJ/mol - -analytic -4.4394e+001 -1.7071e-002 7.3438e+003 1.5605e+001 1.2472e+002 + -analytic -4.4394e+1 -1.7071e-2 7.3438e+3 1.5605e+1 1.2472e+2 # -Range: 0-200 AmOCl - AmOCl +2.0000 H+ = + 1.0000 Am+++ + 1.0000 Cl- + 1.0000 H2O - log_k 11.3229 - -delta_H -119.818 kJ/mol # Calculated enthalpy of reaction AmOCl + AmOCl + 2 H+ = Am+3 + Cl- + H2O + log_k 11.3229 + -delta_H -119.818 kJ/mol # Calculated enthalpy of reaction AmOCl # Enthalpy of formation: -949.8 kJ/mol - -analytic -1.2101e+002 -4.1027e-002 8.6801e+003 4.6651e+001 1.3548e+002 + -analytic -1.2101e+2 -4.1027e-2 8.6801e+3 4.6651e+1 1.3548e+2 # -Range: 0-300 AmOHCO3 - AmOHCO3 +2.0000 H+ = + 1.0000 Am+++ + 1.0000 H2O + 1.0000 HCO3- - log_k 3.1519 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmOHCO3 + AmOHCO3 + 2 H+ = Am+3 + H2O + HCO3- + log_k 3.1519 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmOHCO3 # Enthalpy of formation: 0 kcal/mol AmPO4(am) - AmPO4 +1.0000 H+ = + 1.0000 Am+++ + 1.0000 HPO4-- - log_k -12.4682 - -delta_H 0 # Not possible to calculate enthalpy of reaction AmPO4(am) + AmPO4 + H+ = Am+3 + HPO4-2 + log_k -12.4682 + -delta_H 0 # Not possible to calculate enthalpy of reaction AmPO4(am) # Enthalpy of formation: 0 kcal/mol Amesite-14A - Mg4Al4Si2O10(OH)8 +20.0000 H+ = + 2.0000 SiO2 + 4.0000 Al+++ + 4.0000 Mg++ + 14.0000 H2O - log_k 75.4571 - -delta_H -797.098 kJ/mol # Calculated enthalpy of reaction Amesite-14A + Mg4Al4Si2O10(OH)8 + 20 H+ = 2 SiO2 + 4 Al+3 + 4 Mg+2 + 14 H2O + log_k 75.4571 + -delta_H -797.098 kJ/mol # Calculated enthalpy of reaction Amesite-14A # Enthalpy of formation: -2145.67 kcal/mol - -analytic -5.4326e+002 -1.4144e-001 5.4150e+004 1.9361e+002 8.4512e+002 + -analytic -5.4326e+2 -1.4144e-1 5.415e+4 1.9361e+2 8.4512e+2 # -Range: 0-300 Analcime - Na.96Al.96Si2.04O6:H2O +3.8400 H+ = + 0.9600 Al+++ + 0.9600 Na+ + 2.0400 SiO2 + 2.9200 H2O - log_k 6.1396 - -delta_H -75.844 kJ/mol # Calculated enthalpy of reaction Analcime + Na.96Al.96Si2.04O6:H2O + 3.84 H+ = 0.96 Al+3 + 0.96 Na+ + 2.04 SiO2 + 2.92 H2O + log_k 6.1396 + -delta_H -75.844 kJ/mol # Calculated enthalpy of reaction Analcime # Enthalpy of formation: -3296.86 kJ/mol - -analytic -6.8694e+000 6.6052e-003 9.8260e+003 -4.8540e+000 -8.8780e+005 + -analytic -6.8694e+0 6.6052e-3 9.826e+3 -4.854e+0 -8.878e+5 # -Range: 0-300 Analcime-dehy - Na.96Al.96Si2.04O6 +3.8400 H+ = + 0.9600 Al+++ + 0.9600 Na+ + 1.9200 H2O + 2.0400 SiO2 - log_k 12.5023 - -delta_H -116.641 kJ/mol # Calculated enthalpy of reaction Analcime-dehy + Na.96Al.96Si2.04O6 + 3.84 H+ = 0.96 Al+3 + 0.96 Na+ + 1.92 H2O + 2.04 SiO2 + log_k 12.5023 + -delta_H -116.641 kJ/mol # Calculated enthalpy of reaction Analcime-dehy # Enthalpy of formation: -2970.23 kJ/mol - -analytic -7.1134e+000 5.6181e-003 1.2185e+004 -5.0295e+000 -9.3890e+005 + -analytic -7.1134e+0 5.6181e-3 1.2185e+4 -5.0295e+0 -9.389e+5 # -Range: 0-300 Anatase - TiO2 +2.0000 H2O = + 1.0000 Ti(OH)4 - log_k -8.5586 - -delta_H 0 # Not possible to calculate enthalpy of reaction Anatase + TiO2 + 2 H2O = Ti(OH)4 + log_k -8.5586 + -delta_H 0 # Not possible to calculate enthalpy of reaction Anatase # Enthalpy of formation: -939.942 kJ/mol Andalusite - Al2SiO5 +6.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O - log_k 15.9445 - -delta_H -235.233 kJ/mol # Calculated enthalpy of reaction Andalusite + Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O + log_k 15.9445 + -delta_H -235.233 kJ/mol # Calculated enthalpy of reaction Andalusite # Enthalpy of formation: -615.866 kcal/mol - -analytic -7.1115e+001 -3.2234e-002 1.2308e+004 2.2357e+001 1.9208e+002 + -analytic -7.1115e+1 -3.2234e-2 1.2308e+4 2.2357e+1 1.9208e+2 # -Range: 0-300 Andradite - Ca3Fe2(SiO4)3 +12.0000 H+ = + 2.0000 Fe+++ + 3.0000 Ca++ + 3.0000 SiO2 + 6.0000 H2O - log_k 33.3352 - -delta_H -301.173 kJ/mol # Calculated enthalpy of reaction Andradite + Ca3Fe2(SiO4)3 + 12 H+ = 2 Fe+3 + 3 Ca+2 + 3 SiO2 + 6 H2O + log_k 33.3352 + -delta_H -301.173 kJ/mol # Calculated enthalpy of reaction Andradite # Enthalpy of formation: -1380.35 kcal/mol - -analytic 1.3884e+001 -2.3886e-002 1.5314e+004 -8.1606e+000 -4.2193e+005 + -analytic 1.3884e+1 -2.3886e-2 1.5314e+4 -8.1606e+0 -4.2193e+5 # -Range: 0-300 Anglesite - PbSO4 = + 1.0000 Pb++ + 1.0000 SO4-- - log_k -7.8527 - -delta_H 11.255 kJ/mol # Calculated enthalpy of reaction Anglesite + PbSO4 = Pb+2 + SO4-2 + log_k -7.8527 + -delta_H 11.255 kJ/mol # Calculated enthalpy of reaction Anglesite # Enthalpy of formation: -219.87 kcal/mol - -analytic -1.8583e+002 -7.3849e-002 2.8528e+003 7.6936e+001 4.4570e+001 + -analytic -1.8583e+2 -7.3849e-2 2.8528e+3 7.6936e+1 4.457e+1 # -Range: 0-300 Anhydrite - CaSO4 = + 1.0000 Ca++ + 1.0000 SO4-- - log_k -4.3064 - -delta_H -18.577 kJ/mol # Calculated enthalpy of reaction Anhydrite + CaSO4 = Ca+2 + SO4-2 + log_k -4.3064 + -delta_H -18.577 kJ/mol # Calculated enthalpy of reaction Anhydrite # Enthalpy of formation: -342.76 kcal/mol - -analytic -2.0986e+002 -7.8823e-002 5.0969e+003 8.5642e+001 7.9594e+001 + -analytic -2.0986e+2 -7.8823e-2 5.0969e+3 8.5642e+1 7.9594e+1 # -Range: 0-300 Annite - KFe3AlSi3O10(OH)2 +10.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 3.0000 Fe++ + 3.0000 SiO2 + 6.0000 H2O - log_k 29.4693 - -delta_H -259.964 kJ/mol # Calculated enthalpy of reaction Annite + KFe3AlSi3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Fe+2 + 3 SiO2 + 6 H2O + log_k 29.4693 + -delta_H -259.964 kJ/mol # Calculated enthalpy of reaction Annite # Enthalpy of formation: -1232.19 kcal/mol - -analytic -4.0186e+001 -1.4238e-002 1.8929e+004 7.9859e+000 -8.4343e+005 + -analytic -4.0186e+1 -1.4238e-2 1.8929e+4 7.9859e+0 -8.4343e+5 # -Range: 0-300 Anorthite - CaAl2(SiO4)2 +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 2.0000 SiO2 + 4.0000 H2O - log_k 26.5780 - -delta_H -303.039 kJ/mol # Calculated enthalpy of reaction Anorthite + CaAl2(SiO4)2 + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 4 H2O + log_k 26.578 + -delta_H -303.039 kJ/mol # Calculated enthalpy of reaction Anorthite # Enthalpy of formation: -1007.55 kcal/mol - -analytic 3.9717e-001 -1.8751e-002 1.4897e+004 -6.3078e+000 -2.3885e+005 + -analytic 3.9717e-1 -1.8751e-2 1.4897e+4 -6.3078e+0 -2.3885e+5 # -Range: 0-300 Antarcticite - CaCl2:6H2O = + 1.0000 Ca++ + 2.0000 Cl- + 6.0000 H2O - log_k 4.0933 - -delta_H 0 # Not possible to calculate enthalpy of reaction Antarcticite + CaCl2:6H2O = Ca+2 + 2 Cl- + 6 H2O + log_k 4.0933 + -delta_H 0 # Not possible to calculate enthalpy of reaction Antarcticite # Enthalpy of formation: 0 kcal/mol Anthophyllite - Mg7Si8O22(OH)2 +14.0000 H+ = + 7.0000 Mg++ + 8.0000 H2O + 8.0000 SiO2 - log_k 66.7965 - -delta_H -483.486 kJ/mol # Calculated enthalpy of reaction Anthophyllite + Mg7Si8O22(OH)2 + 14 H+ = 7 Mg+2 + 8 H2O + 8 SiO2 + log_k 66.7965 + -delta_H -483.486 kJ/mol # Calculated enthalpy of reaction Anthophyllite # Enthalpy of formation: -2888.75 kcal/mol - -analytic -1.2865e+002 1.9705e-002 5.4853e+004 1.9444e+001 -3.8080e+006 + -analytic -1.2865e+2 1.9705e-2 5.4853e+4 1.9444e+1 -3.808e+6 # -Range: 0-300 Antigorite # Mg48Si24O85(OH)62 +96.0000 H+ = + 34.0000 SiO2 + 48.0000 Mg++ + 79.0000 H2O - Mg48Si34O85(OH)62 +96.0000 H+ = + 34.0000 SiO2 + 48.0000 Mg++ + 79.0000 H2O - log_k 477.1943 - -delta_H -3364.43 kJ/mol # Calculated enthalpy of reaction Antigorite + Mg48Si34O85(OH)62 + 96 H+ = 34 SiO2 + 48 Mg+2 + 79 H2O + log_k 477.1943 + -delta_H -3364.43 kJ/mol # Calculated enthalpy of reaction Antigorite # Enthalpy of formation: -17070.9 kcal/mol - -analytic -8.1630e+002 -6.7780e-002 2.5998e+005 2.2029e+002 -9.3275e+006 + -analytic -8.163e+2 -6.778e-2 2.5998e+5 2.2029e+2 -9.3275e+6 # -Range: 0-300 Antlerite - Cu3(SO4)(OH)4 +4.0000 H+ = + 1.0000 SO4-- + 3.0000 Cu++ + 4.0000 H2O - log_k 8.7302 - -delta_H 0 # Not possible to calculate enthalpy of reaction Antlerite + Cu3(SO4)(OH)4 + 4 H+ = SO4-2 + 3 Cu+2 + 4 H2O + log_k 8.7302 + -delta_H 0 # Not possible to calculate enthalpy of reaction Antlerite # Enthalpy of formation: 0 kcal/mol Aphthitalite - NaK3(SO4)2 = + 1.0000 Na+ + 2.0000 SO4-- + 3.0000 K+ - log_k -3.8878 - -delta_H 0 # Not possible to calculate enthalpy of reaction Aphthitalite + NaK3(SO4)2 = Na+ + 2 SO4-2 + 3 K+ + log_k -3.8878 + -delta_H 0 # Not possible to calculate enthalpy of reaction Aphthitalite # Enthalpy of formation: 0 kcal/mol Aragonite - CaCO3 +1.0000 H+ = + 1.0000 Ca++ + 1.0000 HCO3- - log_k 1.9931 - -delta_H -25.8027 kJ/mol # Calculated enthalpy of reaction Aragonite + CaCO3 + H+ = Ca+2 + HCO3- + log_k 1.9931 + -delta_H -25.8027 kJ/mol # Calculated enthalpy of reaction Aragonite # Enthalpy of formation: -288.531 kcal/mol - -analytic -1.4934e+002 -4.8043e-002 4.9089e+003 6.0284e+001 7.6644e+001 + -analytic -1.4934e+2 -4.8043e-2 4.9089e+3 6.0284e+1 7.6644e+1 # -Range: 0-300 Arcanite - K2SO4 = + 1.0000 SO4-- + 2.0000 K+ - log_k -1.8008 - -delta_H 23.836 kJ/mol # Calculated enthalpy of reaction Arcanite + K2SO4 = SO4-2 + 2 K+ + log_k -1.8008 + -delta_H 23.836 kJ/mol # Calculated enthalpy of reaction Arcanite # Enthalpy of formation: -1437.78 kJ/mol - -analytic -1.6428e+002 -6.7762e-002 1.9879e+003 7.1116e+001 3.1067e+001 + -analytic -1.6428e+2 -6.7762e-2 1.9879e+3 7.1116e+1 3.1067e+1 # -Range: 0-300 Arsenolite - As2O3 +3.0000 H2O = + 2.0000 H+ + 2.0000 H2AsO3- - log_k -19.8365 - -delta_H 84.5449 kJ/mol # Calculated enthalpy of reaction Arsenolite + As2O3 + 3 H2O = 2 H+ + 2 H2AsO3- + log_k -19.8365 + -delta_H 84.5449 kJ/mol # Calculated enthalpy of reaction Arsenolite # Enthalpy of formation: -656.619 kJ/mol - -analytic 5.1917e+000 -1.9397e-002 -6.0894e+003 4.7458e-001 -1.0341e+002 + -analytic 5.1917e+0 -1.9397e-2 -6.0894e+3 4.7458e-1 -1.0341e+2 # -Range: 0-200 Arsenopyrite - FeAsS +1.5000 H2O +0.5000 H+ = + 0.5000 AsH3 + 0.5000 H2AsO3- + 1.0000 Fe++ + 1.0000 HS- - log_k -14.4453 - -delta_H 28.0187 kJ/mol # Calculated enthalpy of reaction Arsenopyrite + FeAsS + 1.5 H2O + 0.5 H+ = 0.5 AsH3 + 0.5 H2AsO3- + Fe+2 + HS- + log_k -14.4453 + -delta_H 28.0187 kJ/mol # Calculated enthalpy of reaction Arsenopyrite # Enthalpy of formation: -42.079 kJ/mol Artinite - Mg2CO3(OH)2:3H2O +3.0000 H+ = + 1.0000 HCO3- + 2.0000 Mg++ + 5.0000 H2O - log_k 19.6560 - -delta_H -130.432 kJ/mol # Calculated enthalpy of reaction Artinite + Mg2CO3(OH)2:3H2O + 3 H+ = HCO3- + 2 Mg+2 + 5 H2O + log_k 19.656 + -delta_H -130.432 kJ/mol # Calculated enthalpy of reaction Artinite # Enthalpy of formation: -698.043 kcal/mol - -analytic -2.8614e+002 -6.7344e-002 1.5230e+004 1.1104e+002 2.3773e+002 + -analytic -2.8614e+2 -6.7344e-2 1.523e+4 1.1104e+2 2.3773e+2 # -Range: 0-300 As - As +1.5000 H2O +0.7500 O2 = + 1.0000 H+ + 1.0000 H2AsO3- - log_k 42.7079 - -delta_H -276.937 kJ/mol # Calculated enthalpy of reaction As + As + 1.5 H2O + 0.75 O2 = H+ + H2AsO3- + log_k 42.7079 + -delta_H -276.937 kJ/mol # Calculated enthalpy of reaction As # Enthalpy of formation: 0 kJ/mol - -analytic -3.4700e+001 -3.1772e-002 1.3788e+004 1.6411e+001 2.1517e+002 + -analytic -3.47e+1 -3.1772e-2 1.3788e+4 1.6411e+1 2.1517e+2 # -Range: 0-300 As2O5 - As2O5 +3.0000 H2O = + 2.0000 H+ + 2.0000 H2AsO4- - log_k 2.1601 - -delta_H -36.7345 kJ/mol # Calculated enthalpy of reaction As2O5 + As2O5 + 3 H2O = 2 H+ + 2 H2AsO4- + log_k 2.1601 + -delta_H -36.7345 kJ/mol # Calculated enthalpy of reaction As2O5 # Enthalpy of formation: -924.87 kJ/mol - -analytic -1.4215e+002 -6.3459e-002 4.1222e+003 6.0369e+001 6.4365e+001 + -analytic -1.4215e+2 -6.3459e-2 4.1222e+3 6.0369e+1 6.4365e+1 # -Range: 0-300 As4O6(cubi) - As4O6 +6.0000 H2O = + 4.0000 H+ + 4.0000 H2AsO3- - log_k -39.7636 - -delta_H 169.792 kJ/mol # Calculated enthalpy of reaction As4O6(cubi) + As4O6 + 6 H2O = 4 H+ + 4 H2AsO3- + log_k -39.7636 + -delta_H 169.792 kJ/mol # Calculated enthalpy of reaction As4O6(cubi) # Enthalpy of formation: -1313.94 kJ/mol - -analytic -2.6300e+002 -1.1822e-001 -4.9004e+003 1.1108e+002 -7.6389e+001 + -analytic -2.63e+2 -1.1822e-1 -4.9004e+3 1.1108e+2 -7.6389e+1 # -Range: 0-300 As4O6(mono) - As4O6 +6.0000 H2O = + 4.0000 H+ + 4.0000 H2AsO3- - log_k -40.0375 - -delta_H 165.452 kJ/mol # Calculated enthalpy of reaction As4O6(mono) + As4O6 + 6 H2O = 4 H+ + 4 H2AsO3- + log_k -40.0375 + -delta_H 165.452 kJ/mol # Calculated enthalpy of reaction As4O6(mono) # Enthalpy of formation: -1309.6 kJ/mol - -analytic 9.2518e+000 -3.8823e-002 -1.1985e+004 9.9966e-001 -2.0352e+002 + -analytic 9.2518e+0 -3.8823e-2 -1.1985e+4 9.9966e-1 -2.0352e+2 # -Range: 0-200 Atacamite - Cu4Cl2(OH)6 +6.0000 H+ = + 2.0000 Cl- + 4.0000 Cu++ + 6.0000 H2O - log_k 14.2836 - -delta_H -132.001 kJ/mol # Calculated enthalpy of reaction Atacamite + Cu4Cl2(OH)6 + 6 H+ = 2 Cl- + 4 Cu+2 + 6 H2O + log_k 14.2836 + -delta_H -132.001 kJ/mol # Calculated enthalpy of reaction Atacamite # Enthalpy of formation: -1654.43 kJ/mol - -analytic -2.6623e+002 -4.8121e-002 1.5315e+004 9.8395e+001 2.6016e+002 + -analytic -2.6623e+2 -4.8121e-2 1.5315e+4 9.8395e+1 2.6016e+2 # -Range: 0-200 Au - Au +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Au+ - log_k -7.0864 - -delta_H 59.189 kJ/mol # Calculated enthalpy of reaction Au + Au + H+ + 0.25 O2 = 0.5 H2O + Au+ + log_k -7.0864 + -delta_H 59.189 kJ/mol # Calculated enthalpy of reaction Au # Enthalpy of formation: 0 kcal/mol - -analytic -7.6610e-001 -2.8520e-003 -3.0861e+003 1.9705e+000 -4.8156e+001 + -analytic -7.661e-1 -2.852e-3 -3.0861e+3 1.9705e+0 -4.8156e+1 # -Range: 0-300 Autunite-H - H2(UO2)2(PO4)2 = + 2.0000 HPO4-- + 2.0000 UO2++ - log_k -25.3372 - -delta_H -31.8599 kJ/mol # Calculated enthalpy of reaction Autunite-H + H2(UO2)2(PO4)2 = 2 HPO4-2 + 2 UO2+2 + log_k -25.3372 + -delta_H -31.8599 kJ/mol # Calculated enthalpy of reaction Autunite-H # Enthalpy of formation: -4590.3 kJ/mol - -analytic -3.2179e+001 -3.8038e-002 -6.8629e+002 8.2724e+000 -1.1644e+001 + -analytic -3.2179e+1 -3.8038e-2 -6.8629e+2 8.2724e+0 -1.1644e+1 # -Range: 0-200 Azurite - Cu3(CO3)2(OH)2 +4.0000 H+ = + 2.0000 H2O + 2.0000 HCO3- + 3.0000 Cu++ - log_k 9.1607 - -delta_H -122.298 kJ/mol # Calculated enthalpy of reaction Azurite + Cu3(CO3)2(OH)2 + 4 H+ = 2 H2O + 2 HCO3- + 3 Cu+2 + log_k 9.1607 + -delta_H -122.298 kJ/mol # Calculated enthalpy of reaction Azurite # Enthalpy of formation: -390.1 kcal/mol - -analytic -4.4042e+002 -1.1934e-001 1.8053e+004 1.7158e+002 2.8182e+002 + -analytic -4.4042e+2 -1.1934e-1 1.8053e+4 1.7158e+2 2.8182e+2 # -Range: 0-300 B - B +1.5000 H2O +0.7500 O2 = + 1.0000 B(OH)3 - log_k 109.5654 - -delta_H -636.677 kJ/mol # Calculated enthalpy of reaction B + B + 1.5 H2O + 0.75 O2 = B(OH)3 + log_k 109.5654 + -delta_H -636.677 kJ/mol # Calculated enthalpy of reaction B # Enthalpy of formation: 0 kJ/mol - -analytic 8.0471e+001 1.2577e-003 2.9653e+004 -2.8593e+001 4.6268e+002 + -analytic 8.0471e+1 1.2577e-3 2.9653e+4 -2.8593e+1 4.6268e+2 # -Range: 0-300 B2O3 - B2O3 +3.0000 H2O = + 2.0000 B(OH)3 - log_k 5.5464 - -delta_H -18.0548 kJ/mol # Calculated enthalpy of reaction B2O3 + B2O3 + 3 H2O = 2 B(OH)3 + log_k 5.5464 + -delta_H -18.0548 kJ/mol # Calculated enthalpy of reaction B2O3 # Enthalpy of formation: -1273.5 kJ/mol - -analytic 9.0905e+001 5.5365e-003 -2.6629e+003 -3.1553e+001 -4.1578e+001 + -analytic 9.0905e+1 5.5365e-3 -2.6629e+3 -3.1553e+1 -4.1578e+1 # -Range: 0-300 Ba - Ba +2.0000 H+ +0.5000 O2 = + 1.0000 Ba++ + 1.0000 H2O - log_k 141.2465 - -delta_H -817.416 kJ/mol # Calculated enthalpy of reaction Ba + Ba + 2 H+ + 0.5 O2 = Ba+2 + H2O + log_k 141.2465 + -delta_H -817.416 kJ/mol # Calculated enthalpy of reaction Ba # Enthalpy of formation: 0 kJ/mol - -analytic -2.5033e+001 -1.3917e-002 4.2849e+004 1.0786e+001 6.6863e+002 + -analytic -2.5033e+1 -1.3917e-2 4.2849e+4 1.0786e+1 6.6863e+2 # -Range: 0-300 Ba(OH)2:8H2O - Ba(OH)2:8H2O +2.0000 H+ = + 1.0000 Ba++ + 10.0000 H2O - log_k 24.4911 - -delta_H -55.4363 kJ/mol # Calculated enthalpy of reaction Ba(OH)2:8H2O + Ba(OH)2:8H2O + 2 H+ = Ba+2 + 10 H2O + log_k 24.4911 + -delta_H -55.4363 kJ/mol # Calculated enthalpy of reaction Ba(OH)2:8H2O # Enthalpy of formation: -3340.59 kJ/mol - -analytic -2.3888e+002 -1.5791e-003 1.4097e+004 8.7518e+001 2.3947e+002 + -analytic -2.3888e+2 -1.5791e-3 1.4097e+4 8.7518e+1 2.3947e+2 # -Range: 0-200 Ba2Si3O8 - Ba2Si3O8 +4.0000 H+ = + 2.0000 Ba++ + 2.0000 H2O + 3.0000 SiO2 - log_k 23.3284 - -delta_H -95.3325 kJ/mol # Calculated enthalpy of reaction Ba2Si3O8 + Ba2Si3O8 + 4 H+ = 2 Ba+2 + 2 H2O + 3 SiO2 + log_k 23.3284 + -delta_H -95.3325 kJ/mol # Calculated enthalpy of reaction Ba2Si3O8 # Enthalpy of formation: -4184.73 kJ/mol - -analytic -8.7226e+001 9.3125e-003 2.3147e+004 2.2012e+001 -2.1714e+006 + -analytic -8.7226e+1 9.3125e-3 2.3147e+4 2.2012e+1 -2.1714e+6 # -Range: 0-300 Ba2SiO4 - Ba2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Ba++ + 2.0000 H2O - log_k 44.5930 - -delta_H -237.206 kJ/mol # Calculated enthalpy of reaction Ba2SiO4 + Ba2SiO4 + 4 H+ = SiO2 + 2 Ba+2 + 2 H2O + log_k 44.593 + -delta_H -237.206 kJ/mol # Calculated enthalpy of reaction Ba2SiO4 # Enthalpy of formation: -2287.46 kJ/mol - -analytic -7.0350e+000 -5.1744e-003 1.4786e+004 3.1091e+000 -3.6972e+005 + -analytic -7.035e+0 -5.1744e-3 1.4786e+4 3.1091e+0 -3.6972e+5 # -Range: 0-300 Ba2U2O7 - Ba2U2O7 +6.0000 H+ = + 2.0000 Ba++ + 2.0000 UO2+ + 3.0000 H2O - log_k 36.4635 - -delta_H -243.057 kJ/mol # Calculated enthalpy of reaction Ba2U2O7 + Ba2U2O7 + 6 H+ = 2 Ba+2 + 2 UO2+ + 3 H2O + log_k 36.4635 + -delta_H -243.057 kJ/mol # Calculated enthalpy of reaction Ba2U2O7 # Enthalpy of formation: -3740 kJ/mol - -analytic -9.2562e+001 5.3866e-003 1.6852e+004 2.8647e+001 2.8621e+002 + -analytic -9.2562e+1 5.3866e-3 1.6852e+4 2.8647e+1 2.8621e+2 # -Range: 0-200 Ba3UO6 - Ba3UO6 +8.0000 H+ = + 1.0000 UO2++ + 3.0000 Ba++ + 4.0000 H2O - log_k 94.3709 - -delta_H -564.885 kJ/mol # Calculated enthalpy of reaction Ba3UO6 + Ba3UO6 + 8 H+ = UO2+2 + 3 Ba+2 + 4 H2O + log_k 94.3709 + -delta_H -564.885 kJ/mol # Calculated enthalpy of reaction Ba3UO6 # Enthalpy of formation: -3210.4 kJ/mol - -analytic -1.3001e+002 -1.7395e-002 3.3977e+004 4.6715e+001 5.7703e+002 + -analytic -1.3001e+2 -1.7395e-2 3.3977e+4 4.6715e+1 5.7703e+2 # -Range: 0-200 BaBr2 - BaBr2 = + 1.0000 Ba++ + 2.0000 Br- - log_k 5.6226 - -delta_H -23.3887 kJ/mol # Calculated enthalpy of reaction BaBr2 + BaBr2 = Ba+2 + 2 Br- + log_k 5.6226 + -delta_H -23.3887 kJ/mol # Calculated enthalpy of reaction BaBr2 # Enthalpy of formation: -757.262 kJ/mol - -analytic -1.7689e+002 -7.1918e-002 4.7187e+003 7.6010e+001 7.3683e+001 + -analytic -1.7689e+2 -7.1918e-2 4.7187e+3 7.601e+1 7.3683e+1 # -Range: 0-300 BaBr2:2H2O - BaBr2:2H2O = + 1.0000 Ba++ + 2.0000 Br- + 2.0000 H2O - log_k 2.2523 - -delta_H 13.7736 kJ/mol # Calculated enthalpy of reaction BaBr2:2H2O + BaBr2:2H2O = Ba+2 + 2 Br- + 2 H2O + log_k 2.2523 + -delta_H 13.7736 kJ/mol # Calculated enthalpy of reaction BaBr2:2H2O # Enthalpy of formation: -1366.1 kJ/mol - -analytic -1.5506e+001 -1.6281e-002 -8.5727e+002 1.0296e+001 -1.4552e+001 + -analytic -1.5506e+1 -1.6281e-2 -8.5727e+2 1.0296e+1 -1.4552e+1 # -Range: 0-200 BaCl2 - BaCl2 = + 1.0000 Ba++ + 2.0000 Cl- - log_k 2.2707 - -delta_H -13.1563 kJ/mol # Calculated enthalpy of reaction BaCl2 + BaCl2 = Ba+2 + 2 Cl- + log_k 2.2707 + -delta_H -13.1563 kJ/mol # Calculated enthalpy of reaction BaCl2 # Enthalpy of formation: -858.647 kJ/mol - -analytic -2.0393e+002 -7.8925e-002 4.8846e+003 8.6204e+001 7.6280e+001 + -analytic -2.0393e+2 -7.8925e-2 4.8846e+3 8.6204e+1 7.628e+1 # -Range: 0-300 BaCl2:2H2O - BaCl2:2H2O = + 1.0000 Ba++ + 2.0000 Cl- + 2.0000 H2O - log_k 0.2459 - -delta_H 16.558 kJ/mol # Calculated enthalpy of reaction BaCl2:2H2O + BaCl2:2H2O = Ba+2 + 2 Cl- + 2 H2O + log_k 0.2459 + -delta_H 16.558 kJ/mol # Calculated enthalpy of reaction BaCl2:2H2O # Enthalpy of formation: -1460.04 kJ/mol - -analytic -2.0350e+002 -7.3577e-002 3.7914e+003 8.6051e+001 5.9221e+001 + -analytic -2.035e+2 -7.3577e-2 3.7914e+3 8.6051e+1 5.9221e+1 # -Range: 0-300 BaCl2:H2O - BaCl2:H2O = + 1.0000 Ba++ + 1.0000 H2O + 2.0000 Cl- - log_k 0.8606 - -delta_H 2.89433 kJ/mol # Calculated enthalpy of reaction BaCl2:H2O + BaCl2:H2O = Ba+2 + H2O + 2 Cl- + log_k 0.8606 + -delta_H 2.89433 kJ/mol # Calculated enthalpy of reaction BaCl2:H2O # Enthalpy of formation: -1160.54 kJ/mol - -analytic -1.9572e+002 -7.3938e-002 4.0553e+003 8.2842e+001 6.3336e+001 + -analytic -1.9572e+2 -7.3938e-2 4.0553e+3 8.2842e+1 6.3336e+1 # -Range: 0-300 BaCrO4 - BaCrO4 = + 1.0000 Ba++ + 1.0000 CrO4-- - log_k -9.9322 - -delta_H 25.9115 kJ/mol # Calculated enthalpy of reaction BaCrO4 + BaCrO4 = Ba+2 + CrO4-2 + log_k -9.9322 + -delta_H 25.9115 kJ/mol # Calculated enthalpy of reaction BaCrO4 # Enthalpy of formation: -345.293 kcal/mol - -analytic 2.3142e+001 -1.6617e-002 -3.6883e+003 -6.3687e+000 -6.2640e+001 + -analytic 2.3142e+1 -1.6617e-2 -3.6883e+3 -6.3687e+0 -6.264e+1 # -Range: 0-200 BaHPO4 - BaHPO4 = + 1.0000 Ba++ + 1.0000 HPO4-- - log_k -7.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction BaHPO4 + BaHPO4 = Ba+2 + HPO4-2 + log_k -7.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction BaHPO4 # Enthalpy of formation: 0 kcal/mol BaI2 - BaI2 = + 1.0000 Ba++ + 2.0000 I- - log_k 11.0759 - -delta_H -46.0408 kJ/mol # Calculated enthalpy of reaction BaI2 + BaI2 = Ba+2 + 2 I- + log_k 11.0759 + -delta_H -46.0408 kJ/mol # Calculated enthalpy of reaction BaI2 # Enthalpy of formation: -605.408 kJ/mol - -analytic -1.7511e+002 -7.2206e-002 5.8696e+003 7.5974e+001 9.1641e+001 + -analytic -1.7511e+2 -7.2206e-2 5.8696e+3 7.5974e+1 9.1641e+1 # -Range: 0-300 BaMnO4 - BaMnO4 = + 1.0000 Ba++ + 1.0000 MnO4-- - log_k -10.0900 - -delta_H 0 # Not possible to calculate enthalpy of reaction BaMnO4 + BaMnO4 = Ba+2 + MnO4-2 + log_k -10.09 + -delta_H 0 # Not possible to calculate enthalpy of reaction BaMnO4 # Enthalpy of formation: 0 kcal/mol BaO - BaO +2.0000 H+ = + 1.0000 Ba++ + 1.0000 H2O - log_k 47.8036 - -delta_H -270.184 kJ/mol # Calculated enthalpy of reaction BaO + BaO + 2 H+ = Ba+2 + H2O + log_k 47.8036 + -delta_H -270.184 kJ/mol # Calculated enthalpy of reaction BaO # Enthalpy of formation: -553.298 kJ/mol - -analytic -7.3273e+001 -1.7149e-002 1.6811e+004 2.8560e+001 -7.7510e+004 + -analytic -7.3273e+1 -1.7149e-2 1.6811e+4 2.856e+1 -7.751e+4 # -Range: 0-300 BaS - BaS +1.0000 H+ = + 1.0000 Ba++ + 1.0000 HS- - log_k 16.2606 - -delta_H -92.9004 kJ/mol # Calculated enthalpy of reaction BaS + BaS + H+ = Ba+2 + HS- + log_k 16.2606 + -delta_H -92.9004 kJ/mol # Calculated enthalpy of reaction BaS # Enthalpy of formation: -460.852 kJ/mol - -analytic -1.1819e+002 -4.3420e-002 7.4296e+003 4.9489e+001 1.1597e+002 + -analytic -1.1819e+2 -4.342e-2 7.4296e+3 4.9489e+1 1.1597e+2 # -Range: 0-300 BaSeO3 - BaSeO3 = + 1.0000 Ba++ + 1.0000 SeO3-- - log_k -6.5615 - -delta_H -5.5658 kJ/mol # Calculated enthalpy of reaction BaSeO3 + BaSeO3 = Ba+2 + SeO3-2 + log_k -6.5615 + -delta_H -5.5658 kJ/mol # Calculated enthalpy of reaction BaSeO3 # Enthalpy of formation: -1041.27 kJ/mol - -analytic 2.9742e+001 -1.7073e-002 -2.4532e+003 -9.2936e+000 -4.1669e+001 + -analytic 2.9742e+1 -1.7073e-2 -2.4532e+3 -9.2936e+0 -4.1669e+1 # -Range: 0-200 BaSeO4 - BaSeO4 = + 1.0000 Ba++ + 1.0000 SeO4-- - log_k -7.4468 - -delta_H 8.9782 kJ/mol # Calculated enthalpy of reaction BaSeO4 + BaSeO4 = Ba+2 + SeO4-2 + log_k -7.4468 + -delta_H 8.9782 kJ/mol # Calculated enthalpy of reaction BaSeO4 # Enthalpy of formation: -1145.77 kJ/mol - -analytic 2.4274e+001 -1.6289e-002 -2.8520e+003 -6.9949e+000 -4.8439e+001 + -analytic 2.4274e+1 -1.6289e-2 -2.852e+3 -6.9949e+0 -4.8439e+1 # -Range: 0-200 BaSiF6 - BaSiF6 +2.0000 H2O = + 1.0000 Ba++ + 1.0000 SiO2 + 4.0000 H+ + 6.0000 F- - log_k -32.1771 - -delta_H 95.2555 kJ/mol # Calculated enthalpy of reaction BaSiF6 + BaSiF6 + 2 H2O = Ba+2 + SiO2 + 4 H+ + 6 F- + log_k -32.1771 + -delta_H 95.2555 kJ/mol # Calculated enthalpy of reaction BaSiF6 # Enthalpy of formation: -2951.01 kJ/mol - -analytic -6.4766e+000 -3.8410e-002 0.0000e+000 0.0000e+000 -1.2701e+006 + -analytic -6.4766e+0 -3.841e-2 0e+0 0e+0 -1.2701e+6 # -Range: 0-200 BaU2O7 - BaU2O7 +6.0000 H+ = + 1.0000 Ba++ + 2.0000 UO2++ + 3.0000 H2O - log_k 21.9576 - -delta_H -195.959 kJ/mol # Calculated enthalpy of reaction BaU2O7 + BaU2O7 + 6 H+ = Ba+2 + 2 UO2+2 + 3 H2O + log_k 21.9576 + -delta_H -195.959 kJ/mol # Calculated enthalpy of reaction BaU2O7 # Enthalpy of formation: -3237.2 kJ/mol - -analytic -1.2254e+002 -1.0941e-002 1.4452e+004 4.0125e+001 2.4546e+002 + -analytic -1.2254e+2 -1.0941e-2 1.4452e+4 4.0125e+1 2.4546e+2 # -Range: 0-200 BaUO4 - BaUO4 +4.0000 H+ = + 1.0000 Ba++ + 1.0000 UO2++ + 2.0000 H2O - log_k 18.2007 - -delta_H -134.521 kJ/mol # Calculated enthalpy of reaction BaUO4 + BaUO4 + 4 H+ = Ba+2 + UO2+2 + 2 H2O + log_k 18.2007 + -delta_H -134.521 kJ/mol # Calculated enthalpy of reaction BaUO4 # Enthalpy of formation: -1993.8 kJ/mol - -analytic -6.7113e+001 -1.6340e-002 8.7592e+003 2.4571e+001 1.3670e+002 + -analytic -6.7113e+1 -1.634e-2 8.7592e+3 2.4571e+1 1.367e+2 # -Range: 0-300 BaZrO3 - BaZrO3 +4.0000 H+ = + 1.0000 Ba++ + 1.0000 H2O + 1.0000 Zr(OH)2++ - log_k -94.4716 - -delta_H 505.159 kJ/mol # Calculated enthalpy of reaction BaZrO3 + BaZrO3 + 4 H+ = Ba+2 + H2O + Zr(OH)2+2 + log_k -94.4716 + -delta_H 505.159 kJ/mol # Calculated enthalpy of reaction BaZrO3 # Enthalpy of formation: -578.27 kcal/mol - -analytic -5.3606e+001 -1.0096e-002 -2.4894e+004 1.8446e+001 -4.2271e+002 + -analytic -5.3606e+1 -1.0096e-2 -2.4894e+4 1.8446e+1 -4.2271e+2 # -Range: 0-200 Baddeleyite - ZrO2 +2.0000 H+ = + 1.0000 Zr(OH)2++ - log_k -7.9405 - -delta_H 9.72007 kJ/mol # Calculated enthalpy of reaction Baddeleyite + ZrO2 + 2 H+ = Zr(OH)2+2 + log_k -7.9405 + -delta_H 9.72007 kJ/mol # Calculated enthalpy of reaction Baddeleyite # Enthalpy of formation: -1100.56 kJ/mol - -analytic -2.5188e-001 -4.6374e-003 -1.0635e+003 -1.1055e+000 -1.6595e+001 + -analytic -2.5188e-1 -4.6374e-3 -1.0635e+3 -1.1055e+0 -1.6595e+1 # -Range: 0-300 Barite - BaSO4 = + 1.0000 Ba++ + 1.0000 SO4-- - log_k -9.9711 - -delta_H 25.9408 kJ/mol # Calculated enthalpy of reaction Barite + BaSO4 = Ba+2 + SO4-2 + log_k -9.9711 + -delta_H 25.9408 kJ/mol # Calculated enthalpy of reaction Barite # Enthalpy of formation: -352.1 kcal/mol - -analytic -1.8747e+002 -7.5521e-002 2.0790e+003 7.7998e+001 3.2497e+001 + -analytic -1.8747e+2 -7.5521e-2 2.079e+3 7.7998e+1 3.2497e+1 # -Range: 0-300 Barytocalcite - BaCa(CO3)2 +2.0000 H+ = + 1.0000 Ba++ + 1.0000 Ca++ + 2.0000 HCO3- - log_k 2.7420 - -delta_H 0 # Not possible to calculate enthalpy of reaction Barytocalcite + BaCa(CO3)2 + 2 H+ = Ba+2 + Ca+2 + 2 HCO3- + log_k 2.742 + -delta_H 0 # Not possible to calculate enthalpy of reaction Barytocalcite # Enthalpy of formation: 0 kcal/mol Bassanite - CaSO4:0.5H2O = + 0.5000 H2O + 1.0000 Ca++ + 1.0000 SO4-- - log_k -3.6615 - -delta_H -18.711 kJ/mol # Calculated enthalpy of reaction Bassanite + CaSO4:0.5H2O = 0.5 H2O + Ca+2 + SO4-2 + log_k -3.6615 + -delta_H -18.711 kJ/mol # Calculated enthalpy of reaction Bassanite # Enthalpy of formation: -1576.89 kJ/mol - -analytic -2.2010e+002 -8.0230e-002 5.5092e+003 8.9651e+001 8.6031e+001 + -analytic -2.201e+2 -8.023e-2 5.5092e+3 8.9651e+1 8.6031e+1 # -Range: 0-300 Bassetite - Fe(UO2)2(PO4)2 +2.0000 H+ = + 1.0000 Fe++ + 2.0000 HPO4-- + 2.0000 UO2++ - log_k -17.7240 - -delta_H -114.841 kJ/mol # Calculated enthalpy of reaction Bassetite + Fe(UO2)2(PO4)2 + 2 H+ = Fe+2 + 2 HPO4-2 + 2 UO2+2 + log_k -17.724 + -delta_H -114.841 kJ/mol # Calculated enthalpy of reaction Bassetite # Enthalpy of formation: -1099.33 kcal/mol - -analytic -5.7788e+001 -4.5400e-002 4.0119e+003 1.6216e+001 6.8147e+001 + -analytic -5.7788e+1 -4.54e-2 4.0119e+3 1.6216e+1 6.8147e+1 # -Range: 0-200 Be - Be +2.0000 H+ +0.5000 O2 = + 1.0000 Be++ + 1.0000 H2O - log_k 104.2077 - -delta_H -662.608 kJ/mol # Calculated enthalpy of reaction Be + Be + 2 H+ + 0.5 O2 = Be+2 + H2O + log_k 104.2077 + -delta_H -662.608 kJ/mol # Calculated enthalpy of reaction Be # Enthalpy of formation: 0 kJ/mol - -analytic -9.3960e+001 -2.4749e-002 3.6714e+004 3.3295e+001 5.7291e+002 + -analytic -9.396e+1 -2.4749e-2 3.6714e+4 3.3295e+1 5.7291e+2 # -Range: 0-300 Be13U - Be13U +30.0000 H+ +7.5000 O2 = + 1.0000 U++++ + 13.0000 Be++ + 15.0000 H2O - log_k 1504.5350 - -delta_H -9601.04 kJ/mol # Calculated enthalpy of reaction Be13U + Be13U + 30 H+ + 7.5 O2 = U+4 + 13 Be+2 + 15 H2O + log_k 1504.535 + -delta_H -9601.04 kJ/mol # Calculated enthalpy of reaction Be13U # Enthalpy of formation: -163.6 kJ/mol - -analytic -1.2388e+003 -3.2848e-001 5.2816e+005 4.3222e+002 8.2419e+003 + -analytic -1.2388e+3 -3.2848e-1 5.2816e+5 4.3222e+2 8.2419e+3 # -Range: 0-300 Beidellite-Ca - Ca.165Al2.33Si3.67O10(OH)2 +7.3200 H+ = + 0.1650 Ca++ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O - log_k 5.5914 - -delta_H -162.403 kJ/mol # Calculated enthalpy of reaction Beidellite-Ca + Ca.165Al2.33Si3.67O10(OH)2 + 7.32 H+ = 0.165 Ca+2 + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O + log_k 5.5914 + -delta_H -162.403 kJ/mol # Calculated enthalpy of reaction Beidellite-Ca # Enthalpy of formation: -1370.66 kcal/mol - -analytic 2.3887e+001 4.4178e-003 1.5296e+004 -2.2343e+001 -1.4025e+006 + -analytic 2.3887e+1 4.4178e-3 1.5296e+4 -2.2343e+1 -1.4025e+6 # -Range: 0-300 Beidellite-Cs - Cs.33Si3.67Al2.33O10(OH)2 +7.3200 H+ = + 0.3300 Cs+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O - log_k 5.1541 - -delta_H -149.851 kJ/mol # Calculated enthalpy of reaction Beidellite-Cs + Cs.33Si3.67Al2.33O10(OH)2 + 7.32 H+ = 0.33 Cs+ + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O + log_k 5.1541 + -delta_H -149.851 kJ/mol # Calculated enthalpy of reaction Beidellite-Cs # Enthalpy of formation: -1372.59 kcal/mol - -analytic 2.1244e+001 2.1705e-003 1.4504e+004 -2.0250e+001 -1.3712e+006 + -analytic 2.1244e+1 2.1705e-3 1.4504e+4 -2.025e+1 -1.3712e+6 # -Range: 0-300 Beidellite-H - H.33Al2.33Si3.67O10(OH)2 +6.9900 H+ = + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O - log_k 4.6335 - -delta_H -154.65 kJ/mol # Calculated enthalpy of reaction Beidellite-H + H.33Al2.33Si3.67O10(OH)2 + 6.99 H+ = 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O + log_k 4.6335 + -delta_H -154.65 kJ/mol # Calculated enthalpy of reaction Beidellite-H # Enthalpy of formation: -1351.1 kcal/mol - -analytic 5.4070e+000 3.4064e-003 1.6284e+004 -1.6028e+001 -1.5014e+006 + -analytic 5.407e+0 3.4064e-3 1.6284e+4 -1.6028e+1 -1.5014e+6 # -Range: 0-300 Beidellite-K - K.33Al2.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 K+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O - log_k 5.3088 - -delta_H -150.834 kJ/mol # Calculated enthalpy of reaction Beidellite-K + K.33Al2.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 K+ + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O + log_k 5.3088 + -delta_H -150.834 kJ/mol # Calculated enthalpy of reaction Beidellite-K # Enthalpy of formation: -1371.9 kcal/mol - -analytic 1.0792e+001 3.4419e-003 1.5760e+004 -1.7333e+001 -1.4779e+006 + -analytic 1.0792e+1 3.4419e-3 1.576e+4 -1.7333e+1 -1.4779e+6 # -Range: 0-300 Beidellite-Mg - Mg.165Al2.33Si3.67O10(OH)2 +7.3200 H+ = + 0.1650 Mg++ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O - log_k 5.5537 - -delta_H -165.455 kJ/mol # Calculated enthalpy of reaction Beidellite-Mg + Mg.165Al2.33Si3.67O10(OH)2 + 7.32 H+ = 0.165 Mg+2 + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O + log_k 5.5537 + -delta_H -165.455 kJ/mol # Calculated enthalpy of reaction Beidellite-Mg # Enthalpy of formation: -1366.89 kcal/mol - -analytic 1.3375e+001 3.0420e-003 1.5947e+004 -1.8728e+001 -1.4242e+006 + -analytic 1.3375e+1 3.042e-3 1.5947e+4 -1.8728e+1 -1.4242e+6 # -Range: 0-300 Beidellite-Na - Na.33Al2.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 Na+ + 2.3300 Al+++ + 3.6700 SiO2 + 4.6600 H2O - log_k 5.6473 - -delta_H -155.846 kJ/mol # Calculated enthalpy of reaction Beidellite-Na + Na.33Al2.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 Na+ + 2.33 Al+3 + 3.67 SiO2 + 4.66 H2O + log_k 5.6473 + -delta_H -155.846 kJ/mol # Calculated enthalpy of reaction Beidellite-Na # Enthalpy of formation: -1369.76 kcal/mol - -analytic 1.1504e+001 3.9871e-003 1.5818e+004 -1.7762e+001 -1.4485e+006 + -analytic 1.1504e+1 3.9871e-3 1.5818e+4 -1.7762e+1 -1.4485e+6 # -Range: 0-300 Berlinite - AlPO4 +1.0000 H+ = + 1.0000 Al+++ + 1.0000 HPO4-- - log_k -7.2087 - -delta_H -96.6313 kJ/mol # Calculated enthalpy of reaction Berlinite + AlPO4 + H+ = Al+3 + HPO4-2 + log_k -7.2087 + -delta_H -96.6313 kJ/mol # Calculated enthalpy of reaction Berlinite # Enthalpy of formation: -1733.85 kJ/mol - -analytic -2.8134e+002 -9.9933e-002 1.0308e+004 1.0883e+002 1.6094e+002 + -analytic -2.8134e+2 -9.9933e-2 1.0308e+4 1.0883e+2 1.6094e+2 # -Range: 0-300 Berndtite - SnS2 = + 1.0000 S2-- + 1.0000 Sn++ - log_k -34.5393 - -delta_H 0 # Not possible to calculate enthalpy of reaction Berndtite + SnS2 = S2-2 + Sn+2 + log_k -34.5393 + -delta_H 0 # Not possible to calculate enthalpy of reaction Berndtite # Enthalpy of formation: -36.7 kcal/mol - -analytic -2.0311e+002 -7.6462e-002 -4.9879e+003 8.4082e+001 -7.7772e+001 + -analytic -2.0311e+2 -7.6462e-2 -4.9879e+3 8.4082e+1 -7.7772e+1 # -Range: 0-300 Bieberite - CoSO4:7H2O = + 1.0000 Co++ + 1.0000 SO4-- + 7.0000 H2O - log_k -2.5051 - -delta_H 11.3885 kJ/mol # Calculated enthalpy of reaction Bieberite + CoSO4:7H2O = Co+2 + SO4-2 + 7 H2O + log_k -2.5051 + -delta_H 11.3885 kJ/mol # Calculated enthalpy of reaction Bieberite # Enthalpy of formation: -2980.02 kJ/mol - -analytic -2.6405e+002 -7.2497e-002 6.6673e+003 1.0538e+002 1.0411e+002 + -analytic -2.6405e+2 -7.2497e-2 6.6673e+3 1.0538e+2 1.0411e+2 # -Range: 0-300 Birnessite - Mn8O14:5H2O +4.0000 H+ = + 3.0000 MnO4-- + 5.0000 Mn++ + 7.0000 H2O - log_k -85.5463 - -delta_H 0 # Not possible to calculate enthalpy of reaction Birnessite + Mn8O14:5H2O + 4 H+ = 3 MnO4-2 + 5 Mn+2 + 7 H2O + log_k -85.5463 + -delta_H 0 # Not possible to calculate enthalpy of reaction Birnessite # Enthalpy of formation: 0 kcal/mol Bischofite - MgCl2:6H2O = + 1.0000 Mg++ + 2.0000 Cl- + 6.0000 H2O - log_k 4.3923 - -delta_H 0 # Not possible to calculate enthalpy of reaction Bischofite + MgCl2:6H2O = Mg+2 + 2 Cl- + 6 H2O + log_k 4.3923 + -delta_H 0 # Not possible to calculate enthalpy of reaction Bischofite # Enthalpy of formation: 0 kcal/mol Bixbyite - Mn2O3 +6.0000 H+ = + 2.0000 Mn+++ + 3.0000 H2O - log_k -0.9655 - -delta_H -190.545 kJ/mol # Calculated enthalpy of reaction Bixbyite + Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O + log_k -0.9655 + -delta_H -190.545 kJ/mol # Calculated enthalpy of reaction Bixbyite # Enthalpy of formation: -958.971 kJ/mol - -analytic -1.1600e+002 -2.8056e-003 1.3418e+004 2.8639e+001 2.0941e+002 + -analytic -1.16e+2 -2.8056e-3 1.3418e+4 2.8639e+1 2.0941e+2 # -Range: 0-300 Bloedite - Na2Mg(SO4)2:4H2O = + 1.0000 Mg++ + 2.0000 Na+ + 2.0000 SO4-- + 4.0000 H2O - log_k -2.4777 - -delta_H 0 # Not possible to calculate enthalpy of reaction Bloedite + Na2Mg(SO4)2:4H2O = Mg+2 + 2 Na+ + 2 SO4-2 + 4 H2O + log_k -2.4777 + -delta_H 0 # Not possible to calculate enthalpy of reaction Bloedite # Enthalpy of formation: 0 kcal/mol Boehmite - AlO2H +3.0000 H+ = + 1.0000 Al+++ + 2.0000 H2O - log_k 7.5642 - -delta_H -113.282 kJ/mol # Calculated enthalpy of reaction Boehmite + AlO2H + 3 H+ = Al+3 + 2 H2O + log_k 7.5642 + -delta_H -113.282 kJ/mol # Calculated enthalpy of reaction Boehmite # Enthalpy of formation: -238.24 kcal/mol - -analytic -1.2196e+002 -3.1138e-002 8.8643e+003 4.4075e+001 1.3835e+002 + -analytic -1.2196e+2 -3.1138e-2 8.8643e+3 4.4075e+1 1.3835e+2 # -Range: 0-300 Boltwoodite - K(H3O)(UO2)SiO4 +3.0000 H+ = + 1.0000 K+ + 1.0000 SiO2 + 1.0000 UO2++ + 3.0000 H2O - log_k 14.8857 - -delta_H 0 # Not possible to calculate enthalpy of reaction Boltwoodite + K(H3O)(UO2)SiO4 + 3 H+ = K+ + SiO2 + UO2+2 + 3 H2O + log_k 14.8857 + -delta_H 0 # Not possible to calculate enthalpy of reaction Boltwoodite # Enthalpy of formation: 0 kcal/mol Boltwoodite-Na - Na.7K.3(H3O)(UO2)SiO4:H2O +3.0000 H+ = + 0.3000 K+ + 0.7000 Na+ + 1.0000 SiO2 + 1.0000 UO2++ + 4.0000 H2O - log_k 14.5834 - -delta_H 0 # Not possible to calculate enthalpy of reaction Boltwoodite-Na + Na.7K.3(H3O)(UO2)SiO4:H2O + 3 H+ = 0.3 K+ + 0.7 Na+ + SiO2 + UO2+2 + 4 H2O + log_k 14.5834 + -delta_H 0 # Not possible to calculate enthalpy of reaction Boltwoodite-Na # Enthalpy of formation: 0 kcal/mol Borax - Na2(B4O5(OH)4):8H2O +2.0000 H+ = + 2.0000 Na+ + 4.0000 B(OH)3 + 5.0000 H2O - log_k 12.0395 - -delta_H 80.5145 kJ/mol # Calculated enthalpy of reaction Borax + Na2(B4O5(OH)4):8H2O + 2 H+ = 2 Na+ + 4 B(OH)3 + 5 H2O + log_k 12.0395 + -delta_H 80.5145 kJ/mol # Calculated enthalpy of reaction Borax # Enthalpy of formation: -6288.44 kJ/mol - -analytic 7.8374e+001 1.9328e-002 -5.3279e+003 -2.1914e+001 -8.3160e+001 + -analytic 7.8374e+1 1.9328e-2 -5.3279e+3 -2.1914e+1 -8.316e+1 # -Range: 0-300 Boric_acid - B(OH)3 = + 1.0000 B(OH)3 - log_k -0.1583 - -delta_H 20.2651 kJ/mol # Calculated enthalpy of reaction Boric_acid + B(OH)3 = B(OH)3 + log_k -0.1583 + -delta_H 20.2651 kJ/mol # Calculated enthalpy of reaction Boric_acid # Enthalpy of formation: -1094.8 kJ/mol - -analytic 3.9122e+001 6.4058e-003 -2.2525e+003 -1.3592e+001 -3.5160e+001 + -analytic 3.9122e+1 6.4058e-3 -2.2525e+3 -1.3592e+1 -3.516e+1 # -Range: 0-300 Bornite - Cu5FeS4 +4.0000 H+ = + 1.0000 Cu++ + 1.0000 Fe++ + 4.0000 Cu+ + 4.0000 HS- - log_k -102.4369 - -delta_H 530.113 kJ/mol # Calculated enthalpy of reaction Bornite + Cu5FeS4 + 4 H+ = Cu+2 + Fe+2 + 4 Cu+ + 4 HS- + log_k -102.4369 + -delta_H 530.113 kJ/mol # Calculated enthalpy of reaction Bornite # Enthalpy of formation: -79.922 kcal/mol - -analytic -7.0495e+002 -2.0082e-001 -9.1376e+003 2.8004e+002 -1.4238e+002 + -analytic -7.0495e+2 -2.0082e-1 -9.1376e+3 2.8004e+2 -1.4238e+2 # -Range: 0-300 Brezinaite - Cr3S4 +4.0000 H+ = + 1.0000 Cr++ + 2.0000 Cr+++ + 4.0000 HS- - log_k 2.7883 - -delta_H -216.731 kJ/mol # Calculated enthalpy of reaction Brezinaite + Cr3S4 + 4 H+ = Cr+2 + 2 Cr+3 + 4 HS- + log_k 2.7883 + -delta_H -216.731 kJ/mol # Calculated enthalpy of reaction Brezinaite # Enthalpy of formation: -111.9 kcal/mol - -analytic -7.0528e+001 -3.6568e-002 1.0598e+004 1.9665e+001 1.8000e+002 + -analytic -7.0528e+1 -3.6568e-2 1.0598e+4 1.9665e+1 1.8e+2 # -Range: 0-200 Brochantite - Cu4(SO4)(OH)6 +6.0000 H+ = + 1.0000 SO4-- + 4.0000 Cu++ + 6.0000 H2O - log_k 15.4363 - -delta_H -163.158 kJ/mol # Calculated enthalpy of reaction Brochantite + Cu4(SO4)(OH)6 + 6 H+ = SO4-2 + 4 Cu+2 + 6 H2O + log_k 15.4363 + -delta_H -163.158 kJ/mol # Calculated enthalpy of reaction Brochantite # Enthalpy of formation: -2198.72 kJ/mol - -analytic -2.3609e+002 -3.9046e-002 1.5970e+004 8.4701e+001 2.7127e+002 + -analytic -2.3609e+2 -3.9046e-2 1.597e+4 8.4701e+1 2.7127e+2 # -Range: 0-200 Bromellite - BeO +2.0000 H+ = + 1.0000 Be++ + 1.0000 H2O - log_k 1.1309 - -delta_H -59.2743 kJ/mol # Calculated enthalpy of reaction Bromellite + BeO + 2 H+ = Be+2 + H2O + log_k 1.1309 + -delta_H -59.2743 kJ/mol # Calculated enthalpy of reaction Bromellite # Enthalpy of formation: -609.4 kJ/mol - -analytic 1.4790e+002 -4.6004e-001 -3.2577e+004 4.0273e+001 -5.0837e+002 + -analytic 1.479e+2 -4.6004e-1 -3.2577e+4 4.0273e+1 -5.0837e+2 # -Range: 0-300 Brucite - Mg(OH)2 +2.0000 H+ = + 1.0000 Mg++ + 2.0000 H2O - log_k 16.2980 - -delta_H -111.34 kJ/mol # Calculated enthalpy of reaction Brucite + Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O + log_k 16.298 + -delta_H -111.34 kJ/mol # Calculated enthalpy of reaction Brucite # Enthalpy of formation: -221.39 kcal/mol - -analytic -1.0280e+002 -1.9759e-002 9.0180e+003 3.8282e+001 1.4075e+002 + -analytic -1.028e+2 -1.9759e-2 9.018e+3 3.8282e+1 1.4075e+2 # -Range: 0-300 Brushite - CaHPO4:2H2O = + 1.0000 Ca++ + 1.0000 HPO4-- + 2.0000 H2O - log_k 6.5500 - -delta_H 0 # Not possible to calculate enthalpy of reaction Brushite + CaHPO4:2H2O = Ca+2 + HPO4-2 + 2 H2O + log_k 6.55 + -delta_H 0 # Not possible to calculate enthalpy of reaction Brushite # Enthalpy of formation: 0 kcal/mol Bunsenite - NiO +2.0000 H+ = + 1.0000 H2O + 1.0000 Ni++ - log_k 12.4719 - -delta_H -100.069 kJ/mol # Calculated enthalpy of reaction Bunsenite + NiO + 2 H+ = H2O + Ni+2 + log_k 12.4719 + -delta_H -100.069 kJ/mol # Calculated enthalpy of reaction Bunsenite # Enthalpy of formation: -57.3 kcal/mol - -analytic -8.1664e+001 -1.9796e-002 7.4064e+003 3.0385e+001 1.1559e+002 + -analytic -8.1664e+1 -1.9796e-2 7.4064e+3 3.0385e+1 1.1559e+2 # -Range: 0-300 Burkeite - Na6CO3(SO4)2 +1.0000 H+ = + 1.0000 HCO3- + 2.0000 SO4-- + 6.0000 Na+ - log_k 9.4866 - -delta_H 0 # Not possible to calculate enthalpy of reaction Burkeite + Na6CO3(SO4)2 + H+ = HCO3- + 2 SO4-2 + 6 Na+ + log_k 9.4866 + -delta_H 0 # Not possible to calculate enthalpy of reaction Burkeite # Enthalpy of formation: 0 kcal/mol C - C +1.0000 H2O +1.0000 O2 = + 1.0000 H+ + 1.0000 HCO3- - log_k 64.1735 - -delta_H -391.961 kJ/mol # Calculated enthalpy of reaction C + C + H2O + O2 = H+ + HCO3- + log_k 64.1735 + -delta_H -391.961 kJ/mol # Calculated enthalpy of reaction C # Enthalpy of formation: 0 kcal/mol - -analytic -3.5556e+001 -3.3691e-002 1.9774e+004 1.7548e+001 3.0856e+002 + -analytic -3.5556e+1 -3.3691e-2 1.9774e+4 1.7548e+1 3.0856e+2 # -Range: 0-300 Ca - Ca +2.0000 H+ +0.5000 O2 = + 1.0000 Ca++ + 1.0000 H2O - log_k 139.8465 - -delta_H -822.855 kJ/mol # Calculated enthalpy of reaction Ca + Ca + 2 H+ + 0.5 O2 = Ca+2 + H2O + log_k 139.8465 + -delta_H -822.855 kJ/mol # Calculated enthalpy of reaction Ca # Enthalpy of formation: 0 kJ/mol - -analytic -1.1328e+002 -2.6554e-002 4.7638e+004 4.1989e+001 -2.3545e+005 + -analytic -1.1328e+2 -2.6554e-2 4.7638e+4 4.1989e+1 -2.3545e+5 # -Range: 0-300 Ca-Al_Pyroxene - CaAl2SiO6 +8.0000 H+ = + 1.0000 Ca++ + 1.0000 SiO2 + 2.0000 Al+++ + 4.0000 H2O - log_k 35.9759 - -delta_H -361.548 kJ/mol # Calculated enthalpy of reaction Ca-Al_Pyroxene + CaAl2SiO6 + 8 H+ = Ca+2 + SiO2 + 2 Al+3 + 4 H2O + log_k 35.9759 + -delta_H -361.548 kJ/mol # Calculated enthalpy of reaction Ca-Al_Pyroxene # Enthalpy of formation: -783.793 kcal/mol - -analytic -1.4664e+002 -5.0409e-002 2.1045e+004 5.1318e+001 3.2843e+002 + -analytic -1.4664e+2 -5.0409e-2 2.1045e+4 5.1318e+1 3.2843e+2 # -Range: 0-300 Ca2Al2O5:8H2O - Ca2Al2O5:8H2O +10.0000 H+ = + 2.0000 Al+++ + 2.0000 Ca++ + 13.0000 H2O - log_k 59.5687 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ca2Al2O5:8H2O + Ca2Al2O5:8H2O + 10 H+ = 2 Al+3 + 2 Ca+2 + 13 H2O + log_k 59.5687 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ca2Al2O5:8H2O # Enthalpy of formation: 0 kcal/mol Ca2Cl2(OH)2:H2O - Ca2Cl2(OH)2:H2O +2.0000 H+ = + 2.0000 Ca++ + 2.0000 Cl- + 3.0000 H2O - log_k 26.2901 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ca2Cl2(OH)2:H2O + Ca2Cl2(OH)2:H2O + 2 H+ = 2 Ca+2 + 2 Cl- + 3 H2O + log_k 26.2901 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ca2Cl2(OH)2:H2O # Enthalpy of formation: 0 kcal/mol Ca2V2O7 - Ca2V2O7 +1.0000 H2O = + 2.0000 Ca++ + 2.0000 H+ + 2.0000 VO4--- - log_k -39.7129 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ca2V2O7 + Ca2V2O7 + H2O = 2 Ca+2 + 2 H+ + 2 VO4-3 + log_k -39.7129 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ca2V2O7 # Enthalpy of formation: -3083.46 kJ/mol Ca3(AsO4)2 - Ca3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Ca++ - log_k 17.8160 - -delta_H -149.956 kJ/mol # Calculated enthalpy of reaction Ca3(AsO4)2 + Ca3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Ca+2 + log_k 17.816 + -delta_H -149.956 kJ/mol # Calculated enthalpy of reaction Ca3(AsO4)2 # Enthalpy of formation: -3298.41 kJ/mol - -analytic -1.4011e+002 -4.2945e-002 1.0981e+004 5.4107e+001 1.8652e+002 + -analytic -1.4011e+2 -4.2945e-2 1.0981e+4 5.4107e+1 1.8652e+2 # -Range: 0-200 Ca3Al2O6 - Ca3Al2O6 +12.0000 H+ = + 2.0000 Al+++ + 3.0000 Ca++ + 6.0000 H2O - log_k 113.0460 - -delta_H -833.336 kJ/mol # Calculated enthalpy of reaction Ca3Al2O6 + Ca3Al2O6 + 12 H+ = 2 Al+3 + 3 Ca+2 + 6 H2O + log_k 113.046 + -delta_H -833.336 kJ/mol # Calculated enthalpy of reaction Ca3Al2O6 # Enthalpy of formation: -857.492 kcal/mol - -analytic -2.7163e+002 -5.2897e-002 5.0815e+004 9.2946e+001 8.6300e+002 + -analytic -2.7163e+2 -5.2897e-2 5.0815e+4 9.2946e+1 8.63e+2 # -Range: 0-200 Ca3V2O8 - Ca3V2O8 = + 2.0000 VO4--- + 3.0000 Ca++ - log_k -18.3234 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ca3V2O8 + Ca3V2O8 = 2 VO4-3 + 3 Ca+2 + log_k -18.3234 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ca3V2O8 # Enthalpy of formation: -3778.1 kJ/mol Ca4Al2Fe2O10 - Ca4Al2Fe2O10 +20.0000 H+ = + 2.0000 Al+++ + 2.0000 Fe+++ + 4.0000 Ca++ + 10.0000 H2O - log_k 140.5050 - -delta_H -1139.86 kJ/mol # Calculated enthalpy of reaction Ca4Al2Fe2O10 + Ca4Al2Fe2O10 + 20 H+ = 2 Al+3 + 2 Fe+3 + 4 Ca+2 + 10 H2O + log_k 140.505 + -delta_H -1139.86 kJ/mol # Calculated enthalpy of reaction Ca4Al2Fe2O10 # Enthalpy of formation: -1211 kcal/mol - -analytic -4.1808e+002 -8.2787e-002 7.0288e+004 1.4043e+002 1.1937e+003 + -analytic -4.1808e+2 -8.2787e-2 7.0288e+4 1.4043e+2 1.1937e+3 # -Range: 0-200 Ca4Al2O7:13H2O - Ca4Al2O7:13H2O +14.0000 H+ = + 2.0000 Al+++ + 4.0000 Ca++ + 20.0000 H2O - log_k 107.2537 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Al2O7:13H2O + Ca4Al2O7:13H2O + 14 H+ = 2 Al+3 + 4 Ca+2 + 20 H2O + log_k 107.2537 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Al2O7:13H2O # Enthalpy of formation: 0 kcal/mol Ca4Al2O7:19H2O - Ca4Al2O7:19H2O +14.0000 H+ = + 2.0000 Al+++ + 4.0000 Ca++ + 26.0000 H2O - log_k 103.6812 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Al2O7:19H2O + Ca4Al2O7:19H2O + 14 H+ = 2 Al+3 + 4 Ca+2 + 26 H2O + log_k 103.6812 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Al2O7:19H2O # Enthalpy of formation: 0 kcal/mol Ca4Cl2(OH)6:13H2O - Ca4Cl2(OH)6:13H2O +6.0000 H+ = + 2.0000 Cl- + 4.0000 Ca++ + 19.0000 H2O - log_k 68.3283 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Cl2(OH)6:13H2O + Ca4Cl2(OH)6:13H2O + 6 H+ = 2 Cl- + 4 Ca+2 + 19 H2O + log_k 68.3283 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ca4Cl2(OH)6:13H2O # Enthalpy of formation: 0 kcal/mol CaAl2O4 - CaAl2O4 +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 H2O - log_k 46.9541 - -delta_H -436.952 kJ/mol # Calculated enthalpy of reaction CaAl2O4 + CaAl2O4 + 8 H+ = Ca+2 + 2 Al+3 + 4 H2O + log_k 46.9541 + -delta_H -436.952 kJ/mol # Calculated enthalpy of reaction CaAl2O4 # Enthalpy of formation: -555.996 kcal/mol - -analytic -3.0378e+002 -7.9356e-002 3.0096e+004 1.1049e+002 4.6971e+002 + -analytic -3.0378e+2 -7.9356e-2 3.0096e+4 1.1049e+2 4.6971e+2 # -Range: 0-300 CaAl2O4:10H2O - CaAl2O4:10H2O +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 14.0000 H2O - log_k 37.9946 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaAl2O4:10H2O + CaAl2O4:10H2O + 8 H+ = Ca+2 + 2 Al+3 + 14 H2O + log_k 37.9946 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaAl2O4:10H2O # Enthalpy of formation: 0 kcal/mol CaAl4O7 - CaAl4O7 +14.0000 H+ = + 1.0000 Ca++ + 4.0000 Al+++ + 7.0000 H2O - log_k 68.6138 - -delta_H -718.464 kJ/mol # Calculated enthalpy of reaction CaAl4O7 + CaAl4O7 + 14 H+ = Ca+2 + 4 Al+3 + 7 H2O + log_k 68.6138 + -delta_H -718.464 kJ/mol # Calculated enthalpy of reaction CaAl4O7 # Enthalpy of formation: -951.026 kcal/mol - -analytic -3.1044e+002 -6.7078e-002 4.4566e+004 1.0085e+002 7.5689e+002 + -analytic -3.1044e+2 -6.7078e-2 4.4566e+4 1.0085e+2 7.5689e+2 # -Range: 0-200 CaSO4:0.5H2O(beta) - CaSO4:0.5H2O = + 0.5000 H2O + 1.0000 Ca++ + 1.0000 SO4-- - log_k -3.4934 - -delta_H -20.804 kJ/mol # Calculated enthalpy of reaction CaSO4:0.5H2O(beta) + CaSO4:0.5H2O = 0.5 H2O + Ca+2 + SO4-2 + log_k -3.4934 + -delta_H -20.804 kJ/mol # Calculated enthalpy of reaction CaSO4:0.5H2O(beta) # Enthalpy of formation: -1574.8 kJ/mol - -analytic -2.3054e+002 -8.2832e-002 5.9132e+003 9.3705e+001 9.2338e+001 + -analytic -2.3054e+2 -8.2832e-2 5.9132e+3 9.3705e+1 9.2338e+1 # -Range: 0-300 CaSeO3:2H2O - CaSeO3:2H2O = + 1.0000 Ca++ + 1.0000 SeO3-- + 2.0000 H2O - log_k -4.6213 - -delta_H -14.1963 kJ/mol # Calculated enthalpy of reaction CaSeO3:2H2O + CaSeO3:2H2O = Ca+2 + SeO3-2 + 2 H2O + log_k -4.6213 + -delta_H -14.1963 kJ/mol # Calculated enthalpy of reaction CaSeO3:2H2O # Enthalpy of formation: -384.741 kcal/mol - -analytic -4.1771e+001 -2.0735e-002 9.7870e+002 1.6180e+001 1.6634e+001 + -analytic -4.1771e+1 -2.0735e-2 9.787e+2 1.618e+1 1.6634e+1 # -Range: 0-200 CaSeO4 - CaSeO4 = + 1.0000 Ca++ + 1.0000 SeO4-- - log_k -3.0900 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaSeO4 + CaSeO4 = Ca+2 + SeO4-2 + log_k -3.09 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaSeO4 # Enthalpy of formation: 0 kcal/mol CaUO4 - CaUO4 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 UO2++ + 2.0000 H2O - log_k 15.9420 - -delta_H -131.46 kJ/mol # Calculated enthalpy of reaction CaUO4 + CaUO4 + 4 H+ = Ca+2 + UO2+2 + 2 H2O + log_k 15.942 + -delta_H -131.46 kJ/mol # Calculated enthalpy of reaction CaUO4 # Enthalpy of formation: -2002.3 kJ/mol - -analytic -8.7902e+001 -1.9810e-002 9.2354e+003 3.1832e+001 1.4414e+002 + -analytic -8.7902e+1 -1.981e-2 9.2354e+3 3.1832e+1 1.4414e+2 # -Range: 0-300 CaV2O6 - CaV2O6 +2.0000 H2O = + 1.0000 Ca++ + 2.0000 VO4--- + 4.0000 H+ - log_k -51.3617 - -delta_H 0 # Not possible to calculate enthalpy of reaction CaV2O6 + CaV2O6 + 2 H2O = Ca+2 + 2 VO4-3 + 4 H+ + log_k -51.3617 + -delta_H 0 # Not possible to calculate enthalpy of reaction CaV2O6 # Enthalpy of formation: -2329.34 kJ/mol CaZrO3 - CaZrO3 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 H2O + 1.0000 Zr(OH)2++ - log_k -148.5015 - -delta_H 801.282 kJ/mol # Calculated enthalpy of reaction CaZrO3 + CaZrO3 + 4 H+ = Ca+2 + H2O + Zr(OH)2+2 + log_k -148.5015 + -delta_H 801.282 kJ/mol # Calculated enthalpy of reaction CaZrO3 # Enthalpy of formation: -650.345 kcal/mol - -analytic -7.7908e+001 -1.4388e-002 -3.9635e+004 2.6932e+001 -6.7303e+002 + -analytic -7.7908e+1 -1.4388e-2 -3.9635e+4 2.6932e+1 -6.7303e+2 # -Range: 0-200 Cadmoselite - CdSe = + 1.0000 Cd++ + 1.0000 Se-- - log_k -33.8428 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cadmoselite + CdSe = Cd+2 + Se-2 + log_k -33.8428 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cadmoselite # Enthalpy of formation: -34.6 kcal/mol - -analytic -5.3432e+001 -1.3973e-002 -5.8989e+003 1.7591e+001 -9.2031e+001 + -analytic -5.3432e+1 -1.3973e-2 -5.8989e+3 1.7591e+1 -9.2031e+1 # -Range: 0-300 Calcite - CaCO3 +1.0000 H+ = + 1.0000 Ca++ + 1.0000 HCO3- - log_k 1.8487 - -delta_H -25.7149 kJ/mol # Calculated enthalpy of reaction Calcite + CaCO3 + H+ = Ca+2 + HCO3- + log_k 1.8487 + -delta_H -25.7149 kJ/mol # Calculated enthalpy of reaction Calcite # Enthalpy of formation: -288.552 kcal/mol - -analytic -1.4978e+002 -4.8370e-002 4.8974e+003 6.0458e+001 7.6464e+001 + -analytic -1.4978e+2 -4.837e-2 4.8974e+3 6.0458e+1 7.6464e+1 # -Range: 0-300 Calomel - Hg2Cl2 = + 1.0000 Hg2++ + 2.0000 Cl- - log_k -17.8241 - -delta_H 98.0267 kJ/mol # Calculated enthalpy of reaction Calomel + Hg2Cl2 = Hg2+2 + 2 Cl- + log_k -17.8241 + -delta_H 98.0267 kJ/mol # Calculated enthalpy of reaction Calomel # Enthalpy of formation: -265.37 kJ/mol - -analytic -4.8868e+001 -2.5540e-002 -2.8439e+003 1.9475e+001 -4.8277e+001 + -analytic -4.8868e+1 -2.554e-2 -2.8439e+3 1.9475e+1 -4.8277e+1 # -Range: 0-200 Carnallite - KMgCl3:6H2O = + 1.0000 K+ + 1.0000 Mg++ + 3.0000 Cl- + 6.0000 H2O - log_k 4.2721 - -delta_H 0 # Not possible to calculate enthalpy of reaction Carnallite + KMgCl3:6H2O = K+ + Mg+2 + 3 Cl- + 6 H2O + log_k 4.2721 + -delta_H 0 # Not possible to calculate enthalpy of reaction Carnallite # Enthalpy of formation: 0 kcal/mol Carnotite - K2(UO2)2(VO4)2 = + 2.0000 K+ + 2.0000 UO2++ + 2.0000 VO4--- - log_k -56.3811 - -delta_H 0 # Not possible to calculate enthalpy of reaction Carnotite + K2(UO2)2(VO4)2 = 2 K+ + 2 UO2+2 + 2 VO4-3 + log_k -56.3811 + -delta_H 0 # Not possible to calculate enthalpy of reaction Carnotite # Enthalpy of formation: -1173.9 kJ/mol Cassiterite - SnO2 +2.0000 H+ = + 0.5000 O2 + 1.0000 H2O + 1.0000 Sn++ - log_k -46.1203 - -delta_H 280.048 kJ/mol # Calculated enthalpy of reaction Cassiterite + SnO2 + 2 H+ = 0.5 O2 + H2O + Sn+2 + log_k -46.1203 + -delta_H 280.048 kJ/mol # Calculated enthalpy of reaction Cassiterite # Enthalpy of formation: -138.8 kcal/mol - -analytic -8.9264e+001 -1.5743e-002 -1.1497e+004 3.4917e+001 -1.7937e+002 + -analytic -8.9264e+1 -1.5743e-2 -1.1497e+4 3.4917e+1 -1.7937e+2 # -Range: 0-300 Cattierite - CoS2 = + 1.0000 Co++ + 1.0000 S2-- - log_k -29.9067 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cattierite + CoS2 = Co+2 + S2-2 + log_k -29.9067 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cattierite # Enthalpy of formation: -36.589 kcal/mol - -analytic -2.1970e+002 -7.8585e-002 -1.9592e+003 8.8809e+001 -3.0507e+001 + -analytic -2.197e+2 -7.8585e-2 -1.9592e+3 8.8809e+1 -3.0507e+1 # -Range: 0-300 Cd - Cd +2.0000 H+ +0.5000 O2 = + 1.0000 Cd++ + 1.0000 H2O - log_k 56.6062 - -delta_H -355.669 kJ/mol # Calculated enthalpy of reaction Cd + Cd + 2 H+ + 0.5 O2 = Cd+2 + H2O + log_k 56.6062 + -delta_H -355.669 kJ/mol # Calculated enthalpy of reaction Cd # Enthalpy of formation: 0 kJ/mol - -analytic -7.2027e+001 -2.0250e-002 2.0474e+004 2.6814e+001 -3.2348e+004 + -analytic -7.2027e+1 -2.025e-2 2.0474e+4 2.6814e+1 -3.2348e+4 # -Range: 0-300 Cd(BO2)2 - Cd(BO2)2 +2.0000 H+ +2.0000 H2O = + 1.0000 Cd++ + 2.0000 B(OH)3 - log_k 9.8299 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(BO2)2 + Cd(BO2)2 + 2 H+ + 2 H2O = Cd+2 + 2 B(OH)3 + log_k 9.8299 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(BO2)2 # Enthalpy of formation: 0 kcal/mol Cd(IO3)2 - Cd(IO3)2 = + 1.0000 Cd++ + 2.0000 IO3- - log_k -7.5848 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(IO3)2 + Cd(IO3)2 = Cd+2 + 2 IO3- + log_k -7.5848 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd(IO3)2 # Enthalpy of formation: 0 kcal/mol Cd(OH)2 - Cd(OH)2 +2.0000 H+ = + 1.0000 Cd++ + 2.0000 H2O - log_k 13.7382 - -delta_H -87.0244 kJ/mol # Calculated enthalpy of reaction Cd(OH)2 + Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O + log_k 13.7382 + -delta_H -87.0244 kJ/mol # Calculated enthalpy of reaction Cd(OH)2 # Enthalpy of formation: -560.55 kJ/mol - -analytic -7.7001e+001 -6.9251e-003 7.4684e+003 2.7380e+001 1.2685e+002 + -analytic -7.7001e+1 -6.9251e-3 7.4684e+3 2.738e+1 1.2685e+2 # -Range: 0-200 Cd(OH)Cl - Cd(OH)Cl +1.0000 H+ = + 1.0000 Cd++ + 1.0000 Cl- + 1.0000 H2O - log_k 3.5435 - -delta_H -30.3888 kJ/mol # Calculated enthalpy of reaction Cd(OH)Cl + Cd(OH)Cl + H+ = Cd+2 + Cl- + H2O + log_k 3.5435 + -delta_H -30.3888 kJ/mol # Calculated enthalpy of reaction Cd(OH)Cl # Enthalpy of formation: -498.427 kJ/mol - -analytic -4.5477e+001 -1.5809e-002 2.5333e+003 1.8279e+001 4.3035e+001 + -analytic -4.5477e+1 -1.5809e-2 2.5333e+3 1.8279e+1 4.3035e+1 # -Range: 0-200 Cd3(AsO4)2 - Cd3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Cd++ - log_k 4.0625 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(AsO4)2 + Cd3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Cd+2 + log_k 4.0625 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(AsO4)2 # Enthalpy of formation: 0 kcal/mol Cd3(PO4)2 - Cd3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Cd++ - log_k -7.8943 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(PO4)2 + Cd3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Cd+2 + log_k -7.8943 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(PO4)2 # Enthalpy of formation: 0 kcal/mol Cd3(SO4)(OH)4 - Cd3(SO4)(OH)4 +4.0000 H+ = + 1.0000 SO4-- + 3.0000 Cd++ + 4.0000 H2O - log_k 22.5735 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(SO4)(OH)4 + Cd3(SO4)(OH)4 + 4 H+ = SO4-2 + 3 Cd+2 + 4 H2O + log_k 22.5735 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(SO4)(OH)4 # Enthalpy of formation: 0 kcal/mol Cd3(SO4)2(OH)2 - Cd3(SO4)2(OH)2 +2.0000 H+ = + 2.0000 H2O + 2.0000 SO4-- + 3.0000 Cd++ - log_k 6.7180 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(SO4)2(OH)2 + Cd3(SO4)2(OH)2 + 2 H+ = 2 H2O + 2 SO4-2 + 3 Cd+2 + log_k 6.718 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cd3(SO4)2(OH)2 # Enthalpy of formation: 0 kcal/mol CdBr2 - CdBr2 = + 1.0000 Cd++ + 2.0000 Br- - log_k -1.8470 - -delta_H -2.67548 kJ/mol # Calculated enthalpy of reaction CdBr2 + CdBr2 = Cd+2 + 2 Br- + log_k -1.847 + -delta_H -2.67548 kJ/mol # Calculated enthalpy of reaction CdBr2 # Enthalpy of formation: -316.229 kJ/mol - -analytic 1.3056e+000 -2.0628e-002 -1.3318e+003 3.0126e+000 -2.2616e+001 + -analytic 1.3056e+0 -2.0628e-2 -1.3318e+3 3.0126e+0 -2.2616e+1 # -Range: 0-200 CdBr2:4H2O - CdBr2:4H2O = + 1.0000 Cd++ + 2.0000 Br- + 4.0000 H2O - log_k -2.3378 - -delta_H 30.2812 kJ/mol # Calculated enthalpy of reaction CdBr2:4H2O + CdBr2:4H2O = Cd+2 + 2 Br- + 4 H2O + log_k -2.3378 + -delta_H 30.2812 kJ/mol # Calculated enthalpy of reaction CdBr2:4H2O # Enthalpy of formation: -1492.54 kJ/mol - -analytic -1.0038e+002 -2.1045e-002 1.6896e+003 3.9864e+001 2.8726e+001 + -analytic -1.0038e+2 -2.1045e-2 1.6896e+3 3.9864e+1 2.8726e+1 # -Range: 0-200 CdCl2 - CdCl2 = + 1.0000 Cd++ + 2.0000 Cl- - log_k -0.6474 - -delta_H -18.5391 kJ/mol # Calculated enthalpy of reaction CdCl2 + CdCl2 = Cd+2 + 2 Cl- + log_k -0.6474 + -delta_H -18.5391 kJ/mol # Calculated enthalpy of reaction CdCl2 # Enthalpy of formation: -391.518 kJ/mol - -analytic -1.5230e+001 -2.4574e-002 -8.1017e+001 8.9599e+000 -1.3702e+000 + -analytic -1.523e+1 -2.4574e-2 -8.1017e+1 8.9599e+0 -1.3702e+0 # -Range: 0-200 CdCl2(NH3)2 - CdCl2(NH3)2 = + 1.0000 Cd++ + 2.0000 Cl- + 2.0000 NH3 - log_k -8.7864 - -delta_H 63.534 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)2 + CdCl2(NH3)2 = Cd+2 + 2 Cl- + 2 NH3 + log_k -8.7864 + -delta_H 63.534 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)2 # Enthalpy of formation: -636.265 kJ/mol - -analytic -5.5283e+001 -2.1791e-002 -2.1150e+003 2.4279e+001 -3.5896e+001 + -analytic -5.5283e+1 -2.1791e-2 -2.115e+3 2.4279e+1 -3.5896e+1 # -Range: 0-200 CdCl2(NH3)4 - CdCl2(NH3)4 = + 1.0000 Cd++ + 2.0000 Cl- + 4.0000 NH3 - log_k -6.8044 - -delta_H 81.7931 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)4 + CdCl2(NH3)4 = Cd+2 + 2 Cl- + 4 NH3 + log_k -6.8044 + -delta_H 81.7931 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)4 # Enthalpy of formation: -817.198 kJ/mol - -analytic -9.5682e+001 -1.8853e-002 -8.3875e+002 3.9322e+001 -1.4210e+001 + -analytic -9.5682e+1 -1.8853e-2 -8.3875e+2 3.9322e+1 -1.421e+1 # -Range: 0-200 CdCl2(NH3)6 - CdCl2(NH3)6 = + 1.0000 Cd++ + 2.0000 Cl- + 6.0000 NH3 - log_k -4.7524 - -delta_H 97.2971 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)6 + CdCl2(NH3)6 = Cd+2 + 2 Cl- + 6 NH3 + log_k -4.7524 + -delta_H 97.2971 kJ/mol # Calculated enthalpy of reaction CdCl2(NH3)6 # Enthalpy of formation: -995.376 kJ/mol - -analytic -1.3662e+002 -1.5941e-002 5.8572e+002 5.4415e+001 9.9937e+000 + -analytic -1.3662e+2 -1.5941e-2 5.8572e+2 5.4415e+1 9.9937e+0 # -Range: 0-200 CdCl2:H2O - CdCl2:H2O = + 1.0000 Cd++ + 1.0000 H2O + 2.0000 Cl- - log_k -1.6747 - -delta_H -7.44943 kJ/mol # Calculated enthalpy of reaction CdCl2:H2O + CdCl2:H2O = Cd+2 + H2O + 2 Cl- + log_k -1.6747 + -delta_H -7.44943 kJ/mol # Calculated enthalpy of reaction CdCl2:H2O # Enthalpy of formation: -688.446 kJ/mol - -analytic -4.1097e+001 -2.4685e-002 5.2687e+002 1.8188e+001 8.9615e+000 + -analytic -4.1097e+1 -2.4685e-2 5.2687e+2 1.8188e+1 8.9615e+0 # -Range: 0-200 CdCr2O4 - CdCr2O4 +8.0000 H+ = + 1.0000 Cd++ + 2.0000 Cr+++ + 4.0000 H2O - log_k 14.9969 - -delta_H -255.676 kJ/mol # Calculated enthalpy of reaction CdCr2O4 + CdCr2O4 + 8 H+ = Cd+2 + 2 Cr+3 + 4 H2O + log_k 14.9969 + -delta_H -255.676 kJ/mol # Calculated enthalpy of reaction CdCr2O4 # Enthalpy of formation: -344.3 kcal/mol - -analytic -1.7446e+002 -9.1086e-003 1.9223e+004 5.1605e+001 3.2650e+002 + -analytic -1.7446e+2 -9.1086e-3 1.9223e+4 5.1605e+1 3.265e+2 # -Range: 0-200 CdF2 - CdF2 = + 1.0000 Cd++ + 2.0000 F- - log_k -1.1464 - -delta_H -46.064 kJ/mol # Calculated enthalpy of reaction CdF2 + CdF2 = Cd+2 + 2 F- + log_k -1.1464 + -delta_H -46.064 kJ/mol # Calculated enthalpy of reaction CdF2 # Enthalpy of formation: -700.529 kJ/mol - -analytic -3.0654e+001 -2.4790e-002 1.7893e+003 1.2482e+001 3.0395e+001 + -analytic -3.0654e+1 -2.479e-2 1.7893e+3 1.2482e+1 3.0395e+1 # -Range: 0-200 CdI2 - CdI2 = + 1.0000 Cd++ + 2.0000 I- - log_k -3.4825 - -delta_H 13.7164 kJ/mol # Calculated enthalpy of reaction CdI2 + CdI2 = Cd+2 + 2 I- + log_k -3.4825 + -delta_H 13.7164 kJ/mol # Calculated enthalpy of reaction CdI2 # Enthalpy of formation: -203.419 kJ/mol - -analytic -1.5446e+001 -2.4758e-002 -1.6422e+003 1.0041e+001 -2.7882e+001 + -analytic -1.5446e+1 -2.4758e-2 -1.6422e+3 1.0041e+1 -2.7882e+1 # -Range: 0-200 CdS - CdS +1.0000 H+ = + 1.0000 Cd++ + 1.0000 HS- - log_k -15.9095 - -delta_H 70.1448 kJ/mol # Calculated enthalpy of reaction CdS + CdS + H+ = Cd+2 + HS- + log_k -15.9095 + -delta_H 70.1448 kJ/mol # Calculated enthalpy of reaction CdS # Enthalpy of formation: -162.151 kJ/mol - -analytic -2.9492e+001 -1.5181e-002 -3.4695e+003 1.2019e+001 -5.8907e+001 + -analytic -2.9492e+1 -1.5181e-2 -3.4695e+3 1.2019e+1 -5.8907e+1 # -Range: 0-200 CdSO4 - CdSO4 = + 1.0000 Cd++ + 1.0000 SO4-- - log_k -0.1061 - -delta_H -52.1304 kJ/mol # Calculated enthalpy of reaction CdSO4 + CdSO4 = Cd+2 + SO4-2 + log_k -0.1061 + -delta_H -52.1304 kJ/mol # Calculated enthalpy of reaction CdSO4 # Enthalpy of formation: -933.369 kJ/mol - -analytic 7.7104e+000 -1.7161e-002 8.7067e+002 -2.2763e+000 1.4783e+001 + -analytic 7.7104e+0 -1.7161e-2 8.7067e+2 -2.2763e+0 1.4783e+1 # -Range: 0-200 CdSO4:2.667H2O - CdSO4:2.667H2O = + 1.0000 Cd++ + 1.0000 SO4-- + 2.6670 H2O - log_k -1.8015 - -delta_H -18.5302 kJ/mol # Calculated enthalpy of reaction CdSO4:2.667H2O + CdSO4:2.667H2O = Cd+2 + SO4-2 + 2.667 H2O + log_k -1.8015 + -delta_H -18.5302 kJ/mol # Calculated enthalpy of reaction CdSO4:2.667H2O # Enthalpy of formation: -1729.3 kJ/mol - -analytic -5.0331e+001 -1.4983e-002 2.0271e+003 1.8665e+001 3.4440e+001 + -analytic -5.0331e+1 -1.4983e-2 2.0271e+3 1.8665e+1 3.444e+1 # -Range: 0-200 CdSO4:H2O - CdSO4:H2O = + 1.0000 Cd++ + 1.0000 H2O + 1.0000 SO4-- - log_k -1.6529 - -delta_H -31.6537 kJ/mol # Calculated enthalpy of reaction CdSO4:H2O + CdSO4:H2O = Cd+2 + H2O + SO4-2 + log_k -1.6529 + -delta_H -31.6537 kJ/mol # Calculated enthalpy of reaction CdSO4:H2O # Enthalpy of formation: -1239.68 kJ/mol - -analytic -1.7142e+001 -1.7295e-002 9.9184e+002 6.9943e+000 1.6849e+001 + -analytic -1.7142e+1 -1.7295e-2 9.9184e+2 6.9943e+0 1.6849e+1 # -Range: 0-200 CdSeO3 - CdSeO3 = + 1.0000 Cd++ + 1.0000 SeO3-- - log_k -8.8086 - -delta_H -9.92156 kJ/mol # Calculated enthalpy of reaction CdSeO3 + CdSeO3 = Cd+2 + SeO3-2 + log_k -8.8086 + -delta_H -9.92156 kJ/mol # Calculated enthalpy of reaction CdSeO3 # Enthalpy of formation: -575.169 kJ/mol - -analytic 7.1762e+000 -1.8892e-002 -1.4680e+003 -2.1984e+000 -2.4932e+001 + -analytic 7.1762e+0 -1.8892e-2 -1.468e+3 -2.1984e+0 -2.4932e+1 # -Range: 0-200 CdSeO4 - CdSeO4 = + 1.0000 Cd++ + 1.0000 SeO4-- - log_k -2.2132 - -delta_H -41.9836 kJ/mol # Calculated enthalpy of reaction CdSeO4 + CdSeO4 = Cd+2 + SeO4-2 + log_k -2.2132 + -delta_H -41.9836 kJ/mol # Calculated enthalpy of reaction CdSeO4 # Enthalpy of formation: -633.063 kJ/mol - -analytic -4.9901e+000 -1.9755e-002 7.3162e+002 2.5063e+000 1.2426e+001 + -analytic -4.9901e+0 -1.9755e-2 7.3162e+2 2.5063e+0 1.2426e+1 # -Range: 0-200 CdSiO3 - CdSiO3 +2.0000 H+ = + 1.0000 Cd++ + 1.0000 H2O + 1.0000 SiO2 - log_k 7.5136 - -delta_H -50.3427 kJ/mol # Calculated enthalpy of reaction CdSiO3 + CdSiO3 + 2 H+ = Cd+2 + H2O + SiO2 + log_k 7.5136 + -delta_H -50.3427 kJ/mol # Calculated enthalpy of reaction CdSiO3 # Enthalpy of formation: -1189.09 kJ/mol - -analytic 2.6419e+002 6.2488e-002 -5.3518e+003 -1.0401e+002 -9.0973e+001 + -analytic 2.6419e+2 6.2488e-2 -5.3518e+3 -1.0401e+2 -9.0973e+1 # -Range: 0-200 Ce - Ce +3.0000 H+ +0.7500 O2 = + 1.0000 Ce+++ + 1.5000 H2O - log_k 182.9563 - -delta_H -1120.06 kJ/mol # Calculated enthalpy of reaction Ce + Ce + 3 H+ + 0.75 O2 = Ce+3 + 1.5 H2O + log_k 182.9563 + -delta_H -1120.06 kJ/mol # Calculated enthalpy of reaction Ce # Enthalpy of formation: 0 kJ/mol - -analytic -5.1017e+001 -2.6149e-002 5.8511e+004 1.8382e+001 9.1302e+002 + -analytic -5.1017e+1 -2.6149e-2 5.8511e+4 1.8382e+1 9.1302e+2 # -Range: 0-300 Ce(OH)3 - Ce(OH)3 +3.0000 H+ = + 1.0000 Ce+++ + 3.0000 H2O - log_k 19.8852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)3 + Ce(OH)3 + 3 H+ = Ce+3 + 3 H2O + log_k 19.8852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)3 # Enthalpy of formation: 0 kcal/mol Ce(OH)3(am) - Ce(OH)3 +3.0000 H+ = + 1.0000 Ce+++ + 3.0000 H2O - log_k 21.1852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)3(am) + Ce(OH)3 + 3 H+ = Ce+3 + 3 H2O + log_k 21.1852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce(OH)3(am) # Enthalpy of formation: 0 kcal/mol Ce2(CO3)3:8H2O - Ce2(CO3)3:8H2O +3.0000 H+ = + 2.0000 Ce+++ + 3.0000 HCO3- + 8.0000 H2O - log_k -4.1136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce2(CO3)3:8H2O + Ce2(CO3)3:8H2O + 3 H+ = 2 Ce+3 + 3 HCO3- + 8 H2O + log_k -4.1136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce2(CO3)3:8H2O # Enthalpy of formation: 0 kcal/mol Ce2O3 - Ce2O3 +6.0000 H+ = + 2.0000 Ce+++ + 3.0000 H2O - log_k 62.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce2O3 + Ce2O3 + 6 H+ = 2 Ce+3 + 3 H2O + log_k 62.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce2O3 # Enthalpy of formation: 0 kcal/mol Ce3(PO4)4 - Ce3(PO4)4 +4.0000 H+ = + 3.0000 Ce++++ + 4.0000 HPO4-- - log_k -40.8127 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ce3(PO4)4 + Ce3(PO4)4 + 4 H+ = 3 Ce+4 + 4 HPO4-2 + log_k -40.8127 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ce3(PO4)4 # Enthalpy of formation: 0 kcal/mol CeF3:.5H2O - CeF3:.5H2O = + 0.5000 H2O + 1.0000 Ce+++ + 3.0000 F- - log_k -18.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction CeF3:.5H2O + CeF3:.5H2O = 0.5 H2O + Ce+3 + 3 F- + log_k -18.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction CeF3:.5H2O # Enthalpy of formation: 0 kcal/mol CeO2 - CeO2 +4.0000 H+ = + 1.0000 Ce++++ + 2.0000 H2O - log_k -8.1600 - -delta_H 0 # Not possible to calculate enthalpy of reaction CeO2 + CeO2 + 4 H+ = Ce+4 + 2 H2O + log_k -8.16 + -delta_H 0 # Not possible to calculate enthalpy of reaction CeO2 # Enthalpy of formation: 0 kcal/mol CePO4:10H2O - CePO4:10H2O +1.0000 H+ = + 1.0000 Ce+++ + 1.0000 HPO4-- + 10.0000 H2O - log_k -12.2782 - -delta_H 0 # Not possible to calculate enthalpy of reaction CePO4:10H2O + CePO4:10H2O + H+ = Ce+3 + HPO4-2 + 10 H2O + log_k -12.2782 + -delta_H 0 # Not possible to calculate enthalpy of reaction CePO4:10H2O # Enthalpy of formation: 0 kcal/mol Celadonite - KMgAlSi4O10(OH)2 +6.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 1.0000 Mg++ + 4.0000 H2O + 4.0000 SiO2 - log_k 7.4575 - -delta_H -74.3957 kJ/mol # Calculated enthalpy of reaction Celadonite + KMgAlSi4O10(OH)2 + 6 H+ = Al+3 + K+ + Mg+2 + 4 H2O + 4 SiO2 + log_k 7.4575 + -delta_H -74.3957 kJ/mol # Calculated enthalpy of reaction Celadonite # Enthalpy of formation: -1394.9 kcal/mol - -analytic -3.3097e+001 1.7989e-002 1.8919e+004 -2.1219e+000 -2.0588e+006 + -analytic -3.3097e+1 1.7989e-2 1.8919e+4 -2.1219e+0 -2.0588e+6 # -Range: 0-300 Celestite - SrSO4 = + 1.0000 SO4-- + 1.0000 Sr++ - log_k -5.6771 - -delta_H -7.40568 kJ/mol # Calculated enthalpy of reaction Celestite + SrSO4 = SO4-2 + Sr+2 + log_k -5.6771 + -delta_H -7.40568 kJ/mol # Calculated enthalpy of reaction Celestite # Enthalpy of formation: -347.3 kcal/mol - -analytic -1.9063e+002 -7.4552e-002 3.9050e+003 7.8416e+001 6.0991e+001 + -analytic -1.9063e+2 -7.4552e-2 3.905e+3 7.8416e+1 6.0991e+1 # -Range: 0-300 Cerussite - PbCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Pb++ - log_k -3.2091 - -delta_H 13.8992 kJ/mol # Calculated enthalpy of reaction Cerussite + PbCO3 + H+ = HCO3- + Pb+2 + log_k -3.2091 + -delta_H 13.8992 kJ/mol # Calculated enthalpy of reaction Cerussite # Enthalpy of formation: -168 kcal/mol - -analytic -1.2887e+002 -4.4372e-002 2.2336e+003 5.3091e+001 3.4891e+001 + -analytic -1.2887e+2 -4.4372e-2 2.2336e+3 5.3091e+1 3.4891e+1 # -Range: 0-300 Chalcanthite - CuSO4:5H2O = + 1.0000 Cu++ + 1.0000 SO4-- + 5.0000 H2O - log_k -2.6215 - -delta_H 6.57556 kJ/mol # Calculated enthalpy of reaction Chalcanthite + CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O + log_k -2.6215 + -delta_H 6.57556 kJ/mol # Calculated enthalpy of reaction Chalcanthite # Enthalpy of formation: -2279.68 kJ/mol - -analytic -1.1262e+002 -1.5544e-002 3.6176e+003 4.1420e+001 6.1471e+001 + -analytic -1.1262e+2 -1.5544e-2 3.6176e+3 4.142e+1 6.1471e+1 # -Range: 0-200 Chalcedony - SiO2 = + 1.0000 SiO2 - log_k -3.7281 - -delta_H 31.4093 kJ/mol # Calculated enthalpy of reaction Chalcedony + SiO2 = SiO2 + log_k -3.7281 + -delta_H 31.4093 kJ/mol # Calculated enthalpy of reaction Chalcedony # Enthalpy of formation: -217.282 kcal/mol - -analytic -9.0068e+000 9.3241e-003 4.0535e+003 -1.0830e+000 -7.5077e+005 + -analytic -9.0068e+0 9.3241e-3 4.0535e+3 -1.083e+0 -7.5077e+5 # -Range: 0-300 Chalcocite - Cu2S +1.0000 H+ = + 1.0000 HS- + 2.0000 Cu+ - log_k -34.7342 - -delta_H 206.748 kJ/mol # Calculated enthalpy of reaction Chalcocite + Cu2S + H+ = HS- + 2 Cu+ + log_k -34.7342 + -delta_H 206.748 kJ/mol # Calculated enthalpy of reaction Chalcocite # Enthalpy of formation: -19 kcal/mol - -analytic -1.3703e+002 -4.0727e-002 -7.1694e+003 5.5963e+001 -1.1183e+002 + -analytic -1.3703e+2 -4.0727e-2 -7.1694e+3 5.5963e+1 -1.1183e+2 # -Range: 0-300 Chalcocyanite - CuSO4 = + 1.0000 Cu++ + 1.0000 SO4-- - log_k 2.9239 - -delta_H -72.5128 kJ/mol # Calculated enthalpy of reaction Chalcocyanite + CuSO4 = Cu+2 + SO4-2 + log_k 2.9239 + -delta_H -72.5128 kJ/mol # Calculated enthalpy of reaction Chalcocyanite # Enthalpy of formation: -771.4 kJ/mol - -analytic 5.8173e+000 -1.6933e-002 2.0097e+003 -1.8583e+000 3.4126e+001 + -analytic 5.8173e+0 -1.6933e-2 2.0097e+3 -1.8583e+0 3.4126e+1 # -Range: 0-200 Chalcopyrite - CuFeS2 +2.0000 H+ = + 1.0000 Cu++ + 1.0000 Fe++ + 2.0000 HS- - log_k -32.5638 - -delta_H 127.206 kJ/mol # Calculated enthalpy of reaction Chalcopyrite + CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS- + log_k -32.5638 + -delta_H 127.206 kJ/mol # Calculated enthalpy of reaction Chalcopyrite # Enthalpy of formation: -44.453 kcal/mol - -analytic -3.1575e+002 -9.8947e-002 8.3400e+002 1.2522e+002 1.3106e+001 + -analytic -3.1575e+2 -9.8947e-2 8.34e+2 1.2522e+2 1.3106e+1 # -Range: 0-300 Chamosite-7A - Fe2Al2SiO5(OH)4 +10.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 2.0000 Fe++ + 7.0000 H2O - log_k 32.8416 - -delta_H -364.213 kJ/mol # Calculated enthalpy of reaction Chamosite-7A + Fe2Al2SiO5(OH)4 + 10 H+ = SiO2 + 2 Al+3 + 2 Fe+2 + 7 H2O + log_k 32.8416 + -delta_H -364.213 kJ/mol # Calculated enthalpy of reaction Chamosite-7A # Enthalpy of formation: -902.407 kcal/mol - -analytic -2.5581e+002 -7.0890e-002 2.4619e+004 9.1789e+001 3.8424e+002 + -analytic -2.5581e+2 -7.089e-2 2.4619e+4 9.1789e+1 3.8424e+2 # -Range: 0-300 Chlorargyrite - AgCl = + 1.0000 Ag+ + 1.0000 Cl- - log_k -9.7453 - -delta_H 65.739 kJ/mol # Calculated enthalpy of reaction Chlorargyrite + AgCl = Ag+ + Cl- + log_k -9.7453 + -delta_H 65.739 kJ/mol # Calculated enthalpy of reaction Chlorargyrite # Enthalpy of formation: -30.37 kcal/mol - -analytic -9.6834e+001 -3.4624e-002 -1.1820e+003 4.0962e+001 -1.8415e+001 + -analytic -9.6834e+1 -3.4624e-2 -1.182e+3 4.0962e+1 -1.8415e+1 # -Range: 0-300 Chloromagnesite - MgCl2 = + 1.0000 Mg++ + 2.0000 Cl- - log_k 21.8604 - -delta_H -158.802 kJ/mol # Calculated enthalpy of reaction Chloromagnesite + MgCl2 = Mg+2 + 2 Cl- + log_k 21.8604 + -delta_H -158.802 kJ/mol # Calculated enthalpy of reaction Chloromagnesite # Enthalpy of formation: -641.317 kJ/mol - -analytic -2.3640e+002 -8.2017e-002 1.3480e+004 9.5963e+001 2.1042e+002 + -analytic -2.364e+2 -8.2017e-2 1.348e+4 9.5963e+1 2.1042e+2 # -Range: 0-300 Chromite - FeCr2O4 +8.0000 H+ = + 1.0000 Fe++ + 2.0000 Cr+++ + 4.0000 H2O - log_k 15.1685 - -delta_H -267.755 kJ/mol # Calculated enthalpy of reaction Chromite + FeCr2O4 + 8 H+ = Fe+2 + 2 Cr+3 + 4 H2O + log_k 15.1685 + -delta_H -267.755 kJ/mol # Calculated enthalpy of reaction Chromite # Enthalpy of formation: -1444.83 kJ/mol - -analytic -1.9060e+002 -2.5695e-002 1.9465e+004 5.9865e+001 3.0379e+002 + -analytic -1.906e+2 -2.5695e-2 1.9465e+4 5.9865e+1 3.0379e+2 # -Range: 0-300 Chrysocolla - CuSiH4O5 +2.0000 H+ = + 1.0000 Cu++ + 1.0000 SiO2 + 3.0000 H2O - log_k 6.2142 - -delta_H 0 # Not possible to calculate enthalpy of reaction Chrysocolla + CuSiH4O5 + 2 H+ = Cu+2 + SiO2 + 3 H2O + log_k 6.2142 + -delta_H 0 # Not possible to calculate enthalpy of reaction Chrysocolla # Enthalpy of formation: 0 kcal/mol Chrysotile - Mg3Si2O5(OH)4 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 Mg++ + 5.0000 H2O - log_k 31.1254 - -delta_H -218.041 kJ/mol # Calculated enthalpy of reaction Chrysotile + Mg3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Mg+2 + 5 H2O + log_k 31.1254 + -delta_H -218.041 kJ/mol # Calculated enthalpy of reaction Chrysotile # Enthalpy of formation: -1043.12 kcal/mol - -analytic -9.2462e+001 -1.1359e-002 1.8312e+004 2.9289e+001 -6.2342e+005 + -analytic -9.2462e+1 -1.1359e-2 1.8312e+4 2.9289e+1 -6.2342e+5 # -Range: 0-300 Cinnabar - HgS +1.0000 H+ = + 1.0000 HS- + 1.0000 Hg++ - log_k -38.9666 - -delta_H 207.401 kJ/mol # Calculated enthalpy of reaction Cinnabar + HgS + H+ = HS- + Hg+2 + log_k -38.9666 + -delta_H 207.401 kJ/mol # Calculated enthalpy of reaction Cinnabar # Enthalpy of formation: -12.75 kcal/mol - -analytic -1.5413e+002 -4.6846e-002 -6.9806e+003 6.1639e+001 -1.0888e+002 + -analytic -1.5413e+2 -4.6846e-2 -6.9806e+3 6.1639e+1 -1.0888e+2 # -Range: 0-300 Claudetite - As2O3 +3.0000 H2O = + 2.0000 H+ + 2.0000 H2AsO3- - log_k -19.7647 - -delta_H 82.3699 kJ/mol # Calculated enthalpy of reaction Claudetite + As2O3 + 3 H2O = 2 H+ + 2 H2AsO3- + log_k -19.7647 + -delta_H 82.3699 kJ/mol # Calculated enthalpy of reaction Claudetite # Enthalpy of formation: -654.444 kJ/mol - -analytic -1.4164e+002 -6.3704e-002 -2.1679e+003 5.9856e+001 -3.3787e+001 + -analytic -1.4164e+2 -6.3704e-2 -2.1679e+3 5.9856e+1 -3.3787e+1 # -Range: 0-300 Clausthalite - PbSe = + 1.0000 Pb++ + 1.0000 Se-- - log_k -36.2531 - -delta_H 0 # Not possible to calculate enthalpy of reaction Clausthalite + PbSe = Pb+2 + Se-2 + log_k -36.2531 + -delta_H 0 # Not possible to calculate enthalpy of reaction Clausthalite # Enthalpy of formation: -102.9 kJ/mol - -analytic -2.6473e+001 -1.0666e-002 -8.5540e+003 8.9226e+000 -1.3347e+002 + -analytic -2.6473e+1 -1.0666e-2 -8.554e+3 8.9226e+0 -1.3347e+2 # -Range: 0-300 Clinochalcomenite - CuSeO3:2H2O = + 1.0000 Cu++ + 1.0000 SeO3-- + 2.0000 H2O - log_k -6.7873 - -delta_H -31.6645 kJ/mol # Calculated enthalpy of reaction Clinochalcomenite + CuSeO3:2H2O = Cu+2 + SeO3-2 + 2 H2O + log_k -6.7873 + -delta_H -31.6645 kJ/mol # Calculated enthalpy of reaction Clinochalcomenite # Enthalpy of formation: -235.066 kcal/mol - -analytic -4.6465e+001 -1.8071e-002 2.0307e+003 1.5455e+001 3.4499e+001 + -analytic -4.6465e+1 -1.8071e-2 2.0307e+3 1.5455e+1 3.4499e+1 # -Range: 0-200 Clinochlore-14A - Mg5Al2Si3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Mg++ + 12.0000 H2O - log_k 67.2391 - -delta_H -612.379 kJ/mol # Calculated enthalpy of reaction Clinochlore-14A + Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O + log_k 67.2391 + -delta_H -612.379 kJ/mol # Calculated enthalpy of reaction Clinochlore-14A # Enthalpy of formation: -2116.96 kcal/mol - -analytic -2.0441e+002 -6.2268e-002 3.5388e+004 6.9239e+001 5.5225e+002 + -analytic -2.0441e+2 -6.2268e-2 3.5388e+4 6.9239e+1 5.5225e+2 # -Range: 0-300 Clinochlore-7A - Mg5Al2Si3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Mg++ + 12.0000 H2O - log_k 70.6124 - -delta_H -628.14 kJ/mol # Calculated enthalpy of reaction Clinochlore-7A + Mg5Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Mg+2 + 12 H2O + log_k 70.6124 + -delta_H -628.14 kJ/mol # Calculated enthalpy of reaction Clinochlore-7A # Enthalpy of formation: -2113.2 kcal/mol - -analytic -2.1644e+002 -6.4187e-002 3.6548e+004 7.4123e+001 5.7037e+002 + -analytic -2.1644e+2 -6.4187e-2 3.6548e+4 7.4123e+1 5.7037e+2 # -Range: 0-300 Clinoptilolite # Na.954K.543Ca.761Mg.124Sr.036Ba.062Mn.002Al3.45F +13.8680 H+ = + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 14.5330 SiO2 17.8560 H2O - Na.954K.543Ca.761Mg.124Sr.036Ba.062Mn.002Al3.45Fe.017Si14.5330O46.922H21.844 +13.8680 H+ = + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 H2O - log_k -9.7861 - -delta_H -20.8784 kJ/mol # Calculated enthalpy of reaction Clinoptilolite + Na.954K.543Ca.761Mg.124Sr.036Ba.062Mn.002Al3.45Fe.017Si14.533O46.922H21.844 + 13.868 H+ = 0.002 Mn+2 + 0.017 Fe+3 + 0.036 Sr+2 + 0.062 Ba+2 + 0.124 Mg+2 + 0.543 K+ + 0.761 Ca+2 + 0.954 Na+ + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O + log_k -9.7861 + -delta_H -20.8784 kJ/mol # Calculated enthalpy of reaction Clinoptilolite # Enthalpy of formation: -20587.8 kJ/mol - -analytic -1.3213e+000 6.4960e-002 5.0630e+004 -4.6120e+001 -7.4699e+006 + -analytic -1.3213e+0 6.496e-2 5.063e+4 -4.612e+1 -7.4699e+6 # -Range: 0-300 Clinoptilolite-Ca - Ca1.7335Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 H2O - log_k -7.0095 - -delta_H -74.6745 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Ca + Ca1.7335Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 1.7335 Ca+2 + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O + log_k -7.0095 + -delta_H -74.6745 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Ca # Enthalpy of formation: -4919.84 kcal/mol - -analytic -4.4820e+001 5.3696e-002 5.4878e+004 -3.1459e+001 -7.5491e+006 + -analytic -4.482e+1 5.3696e-2 5.4878e+4 -3.1459e+1 -7.5491e+6 # -Range: 0-300 Clinoptilolite-Cs - Cs3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 14.5330 SiO2 + 17.8560 H2O - log_k -13.0578 - -delta_H 96.9005 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Cs + Cs3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Cs+ + 14.533 SiO2 + 17.856 H2O + log_k -13.0578 + -delta_H 96.9005 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Cs # Enthalpy of formation: -4949.65 kcal/mol - -analytic -8.4746e+000 7.1997e-002 4.9675e+004 -4.1406e+001 -8.0632e+006 + -analytic -8.4746e+0 7.1997e-2 4.9675e+4 -4.1406e+1 -8.0632e+6 # -Range: 0-300 Clinoptilolite-K - K3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.5330 SiO2 + 17.8560 H2O - log_k -10.9485 - -delta_H 67.4862 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-K + K3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 14.533 SiO2 + 17.856 H2O + log_k -10.9485 + -delta_H 67.4862 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-K # Enthalpy of formation: -4937.77 kcal/mol - -analytic 1.1697e+001 6.9480e-002 4.7718e+004 -4.7442e+001 -7.6907e+006 + -analytic 1.1697e+1 6.948e-2 4.7718e+4 -4.7442e+1 -7.6907e+6 # -Range: 0-300 Clinoptilolite-NH4 - (NH4)3.467Al3.45Fe.017Si14.533O36:10.922H2O +10.4010 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 NH3 + 14.5330 SiO2 + 17.8560 H2O - log_k -42.4791 - -delta_H 0 # Not possible to calculate enthalpy of reaction Clinoptilolite-NH4 + (NH4)3.467Al3.45Fe.017Si14.533O36:10.922H2O + 10.401 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 NH3 + 14.533 SiO2 + 17.856 H2O + log_k -42.4791 + -delta_H 0 # Not possible to calculate enthalpy of reaction Clinoptilolite-NH4 # Enthalpy of formation: 0 kcal/mol Clinoptilolite-Na - Na3.467Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8560 H2O - log_k -7.1363 - -delta_H 2.32824 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Na + Na3.467Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Na+ + 14.533 SiO2 + 17.856 H2O + log_k -7.1363 + -delta_H 2.32824 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Na # Enthalpy of formation: -4912.36 kcal/mol - -analytic -3.4572e+001 6.8377e-002 5.1962e+004 -3.3426e+001 -7.5586e+006 + -analytic -3.4572e+1 6.8377e-2 5.1962e+4 -3.3426e+1 -7.5586e+6 # -Range: 0-300 Clinoptilolite-Sr - Sr1.7335Al3.45Fe.017Si14.533O36:10.922H2O +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 17.8560 H2O - log_k -7.1491 - -delta_H -66.2129 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Sr + Sr1.7335Al3.45Fe.017Si14.533O36:10.922H2O + 13.868 H+ = 0.017 Fe+3 + 1.7335 Sr+2 + 3.45 Al+3 + 14.533 SiO2 + 17.856 H2O + log_k -7.1491 + -delta_H -66.2129 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-Sr # Enthalpy of formation: -4925.1 kcal/mol - -analytic 3.2274e+001 6.7050e-002 5.0880e+004 -5.9597e+001 -7.3876e+006 + -analytic 3.2274e+1 6.705e-2 5.088e+4 -5.9597e+1 -7.3876e+6 # -Range: 0-300 Clinoptilolite-dehy # Sr.036Mg.124Ca.761Mn.002Ba.062K.543Na.954Al3.45F +13.8680 H+ = + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 6.9340 H2O 14.5330 SiO2 - Sr.036Mg.124Ca.761Mn.002Ba.062K.543Na.954Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0020 Mn++ + 0.0170 Fe+++ + 0.0360 Sr++ + 0.0620 Ba++ + 0.1240 Mg++ + 0.5430 K+ + 0.7610 Ca++ + 0.9540 Na+ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 SiO2 - log_k 25.8490 - -delta_H -276.592 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy + Sr.036Mg.124Ca.761Mn.002Ba.062K.543Na.954Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.002 Mn+2 + 0.017 Fe+3 + 0.036 Sr+2 + 0.062 Ba+2 + 0.124 Mg+2 + 0.543 K+ + 0.761 Ca+2 + 0.954 Na+ + 3.45 Al+3 + 6.934 H2O + 14.533 SiO2 + log_k 25.849 + -delta_H -276.592 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy # Enthalpy of formation: -17210.2 kJ/mol - -analytic -2.0505e+002 6.0155e-002 8.2682e+004 1.5333e+001 -9.1369e+006 + -analytic -2.0505e+2 6.0155e-2 8.2682e+4 1.5333e+1 -9.1369e+6 # -Range: 0-300 Clinoptilolite-dehy-Ca - Ca1.7335Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 SiO2 - log_k 28.6255 - -delta_H -329.278 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Ca + Ca1.7335Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 1.7335 Ca+2 + 3.45 Al+3 + 6.934 H2O + 14.533 SiO2 + log_k 28.6255 + -delta_H -329.278 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Ca # Enthalpy of formation: -4112.83 kcal/mol - -analytic -1.2948e+002 6.5698e-002 8.0229e+004 -1.2812e+001 -8.8320e+006 + -analytic -1.2948e+2 6.5698e-2 8.0229e+4 -1.2812e+1 -8.832e+6 # -Range: 0-300 Clinoptilolite-dehy-Cs - Cs3.467Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 6.9340 H2O + 14.5330 SiO2 - log_k 22.5771 - -delta_H -164.837 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Cs + Cs3.467Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Cs+ + 6.934 H2O + 14.533 SiO2 + log_k 22.5771 + -delta_H -164.837 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Cs # Enthalpy of formation: -4140.93 kcal/mol - -analytic -1.2852e+002 7.9047e-002 7.7262e+004 -1.0422e+001 -9.4504e+006 + -analytic -1.2852e+2 7.9047e-2 7.7262e+4 -1.0422e+1 -9.4504e+6 # -Range: 0-300 Clinoptilolite-dehy-K - K3.467Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 6.9340 H2O + 14.5330 SiO2 - log_k 24.6865 - -delta_H -191.289 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-K + K3.467Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 6.934 H2O + 14.533 SiO2 + log_k 24.6865 + -delta_H -191.289 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-K # Enthalpy of formation: -4129.76 kcal/mol - -analytic -1.2241e+002 7.4761e-002 7.6067e+004 -1.1315e+001 -9.1389e+006 + -analytic -1.2241e+2 7.4761e-2 7.6067e+4 -1.1315e+1 -9.1389e+6 # -Range: 0-300 Clinoptilolite-dehy-NH4 - (NH4)3.467Al3.45Fe.017Si14.533O36 +10.4010 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 NH3 + 6.9340 H2O + 14.5330 SiO2 - log_k -6.8441 - -delta_H 0 # Not possible to calculate enthalpy of reaction Clinoptilolite-dehy-NH4 + (NH4)3.467Al3.45Fe.017Si14.533O36 + 10.401 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 NH3 + 6.934 H2O + 14.533 SiO2 + log_k -6.8441 + -delta_H 0 # Not possible to calculate enthalpy of reaction Clinoptilolite-dehy-NH4 # Enthalpy of formation: 0 kcal/mol Clinoptilolite-dehy-Na - Na3.467Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 6.9340 H2O + 14.5330 SiO2 - log_k 28.4987 - -delta_H -253.798 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Na + Na3.467Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Na+ + 6.934 H2O + 14.533 SiO2 + log_k 28.4987 + -delta_H -253.798 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Na # Enthalpy of formation: -4104.98 kcal/mol - -analytic -1.4386e+002 7.6846e-002 7.8723e+004 -5.9741e+000 -8.9159e+006 + -analytic -1.4386e+2 7.6846e-2 7.8723e+4 -5.9741e+0 -8.9159e+6 # -Range: 0-300 Clinoptilolite-dehy-Sr - Sr1.7335Al3.45Fe.017Si14.533O36 +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 6.9340 H2O + 14.5330 SiO2 - log_k 28.4859 - -delta_H -321.553 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Sr + Sr1.7335Al3.45Fe.017Si14.533O36 + 13.868 H+ = 0.017 Fe+3 + 1.7335 Sr+2 + 3.45 Al+3 + 6.934 H2O + 14.533 SiO2 + log_k 28.4859 + -delta_H -321.553 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-dehy-Sr # Enthalpy of formation: -4117.92 kcal/mol - -analytic -1.8410e+002 6.0457e-002 8.3626e+004 6.4304e+000 -9.0962e+006 + -analytic -1.841e+2 6.0457e-2 8.3626e+4 6.4304e+0 -9.0962e+6 # -Range: 0-300 Clinoptilolite-hy-Ca # Ca1.7335Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 18.5790 H2O - Ca1.7335Al3.45Fe.017Si14.533O36:11.645H2O +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Ca++ + 3.4500 Al+++ + 14.5330 SiO2 + 18.5790 H2O - log_k -7.0108 - -delta_H -65.4496 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Ca + Ca1.7335Al3.45Fe.017Si14.533O36:11.645H2O + 13.868 H+ = 0.017 Fe+3 + 1.7335 Ca+2 + 3.45 Al+3 + 14.533 SiO2 + 18.579 H2O + log_k -7.0108 + -delta_H -65.4496 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Ca # Enthalpy of formation: -4971.44 kcal/mol - -analytic 8.6833e+001 7.1520e-002 4.6854e+004 -7.8023e+001 -7.0900e+006 + -analytic 8.6833e+1 7.152e-2 4.6854e+4 -7.8023e+1 -7.09e+6 # -Range: 0-300 Clinoptilolite-hy-Cs # Cs3.467Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 13.1640 H2O + 14.5330 SiO2 - Cs3.467Al3.45Fe.017Si14.533O36:6.23H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Cs+ + 13.1640 H2O + 14.5330 SiO2 - log_k -13.0621 - -delta_H 44.6397 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Cs + Cs3.467Al3.45Fe.017Si14.533O36:6.23H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Cs+ + 13.164 H2O + 14.533 SiO2 + log_k -13.0621 + -delta_H 44.6397 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Cs # Enthalpy of formation: -4616.61 kcal/mol - -analytic -2.3362e+001 7.4922e-002 5.4544e+004 -4.1092e+001 -8.3387e+006 + -analytic -2.3362e+1 7.4922e-2 5.4544e+4 -4.1092e+1 -8.3387e+6 # -Range: 0-300 Clinoptilolite-hy-K # K3.467Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.4330 H2O + 14.5330 SiO2 - K3.467Al3.45Fe.017Si14.533O36:7.499H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 K+ + 14.4330 H2O + 14.5330 SiO2 - log_k -10.9523 - -delta_H 29.5879 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-K + K3.467Al3.45Fe.017Si14.533O36:7.499H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 K+ + 14.433 H2O + 14.533 SiO2 + log_k -10.9523 + -delta_H 29.5879 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-K # Enthalpy of formation: -4694.86 kcal/mol - -analytic 1.6223e+001 7.3919e-002 5.0447e+004 -5.2790e+001 -7.8484e+006 + -analytic 1.6223e+1 7.3919e-2 5.0447e+4 -5.279e+1 -7.8484e+6 # -Range: 0-300 Clinoptilolite-hy-Na # Na3.467Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8110 H2O - Na3.467Al3.45Fe.017Si14.533O36:10.877H2O +13.8680 H+ = + 0.0170 Fe+++ + 3.4500 Al+++ + 3.4670 Na+ + 14.5330 SiO2 + 17.8110 H2O - log_k -7.1384 - -delta_H 1.88166 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Na + Na3.467Al3.45Fe.017Si14.533O36:10.877H2O + 13.868 H+ = 0.017 Fe+3 + 3.45 Al+3 + 3.467 Na+ + 14.533 SiO2 + 17.811 H2O + log_k -7.1384 + -delta_H 1.88166 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Na # Enthalpy of formation: -4909.18 kcal/mol - -analytic -8.4189e+000 7.2018e-002 5.0501e+004 -4.2851e+001 -7.4714e+006 + -analytic -8.4189e+0 7.2018e-2 5.0501e+4 -4.2851e+1 -7.4714e+6 # -Range: 0-300 Clinoptilolite-hy-Sr # Sr1.7335Al3.45Fe.017Si14.533036 +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 20.8270 H2O - Sr1.7335Al3.45Fe.017Si14.533O36:13.893H2O +13.8680 H+ = + 0.0170 Fe+++ + 1.7335 Sr++ + 3.4500 Al+++ + 14.5330 SiO2 + 20.8270 H2O - log_k -7.1498 - -delta_H -31.6858 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Sr + Sr1.7335Al3.45Fe.017Si14.533O36:13.893H2O + 13.868 H+ = 0.017 Fe+3 + 1.7335 Sr+2 + 3.45 Al+3 + 14.533 SiO2 + 20.827 H2O + log_k -7.1498 + -delta_H -31.6858 kJ/mol # Calculated enthalpy of reaction Clinoptilolite-hy-Sr # Enthalpy of formation: -5136.33 kcal/mol - -analytic 1.0742e-001 5.9065e-002 4.9985e+004 -4.4648e+001 -7.3382e+006 + -analytic 1.0742e-1 5.9065e-2 4.9985e+4 -4.4648e+1 -7.3382e+6 # -Range: 0-300 Clinozoisite - Ca2Al3Si3O12(OH) +13.0000 H+ = + 2.0000 Ca++ + 3.0000 Al+++ + 3.0000 SiO2 + 7.0000 H2O - log_k 43.2569 - -delta_H -457.755 kJ/mol # Calculated enthalpy of reaction Clinozoisite + Ca2Al3Si3O12(OH) + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O + log_k 43.2569 + -delta_H -457.755 kJ/mol # Calculated enthalpy of reaction Clinozoisite # Enthalpy of formation: -1643.78 kcal/mol - -analytic -2.8690e+001 -3.7056e-002 2.2770e+004 3.7880e+000 -2.5834e+005 + -analytic -2.869e+1 -3.7056e-2 2.277e+4 3.788e+0 -2.5834e+5 # -Range: 0-300 Co - Co +2.0000 H+ +0.5000 O2 = + 1.0000 Co++ + 1.0000 H2O - log_k 52.5307 - -delta_H -337.929 kJ/mol # Calculated enthalpy of reaction Co + Co + 2 H+ + 0.5 O2 = Co+2 + H2O + log_k 52.5307 + -delta_H -337.929 kJ/mol # Calculated enthalpy of reaction Co # Enthalpy of formation: 0 kJ/mol - -analytic -6.2703e+001 -2.0172e-002 1.8888e+004 2.3391e+001 2.9474e+002 + -analytic -6.2703e+1 -2.0172e-2 1.8888e+4 2.3391e+1 2.9474e+2 # -Range: 0-300 Co(NO3)2 - Co(NO3)2 = + 1.0000 Co++ + 2.0000 NO3- - log_k 8.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Co(NO3)2 + Co(NO3)2 = Co+2 + 2 NO3- + log_k 8 + -delta_H 0 # Not possible to calculate enthalpy of reaction Co(NO3)2 # Enthalpy of formation: 0 kcal/mol Co(OH)2 - Co(OH)2 +2.0000 H+ = + 1.0000 Co++ + 2.0000 H2O - log_k 12.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)2 + Co(OH)2 + 2 H+ = Co+2 + 2 H2O + log_k 12.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction Co(OH)2 # Enthalpy of formation: 0 kcal/mol Co2SiO4 - Co2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Co++ + 2.0000 H2O - log_k 6.6808 - -delta_H -88.6924 kJ/mol # Calculated enthalpy of reaction Co2SiO4 + Co2SiO4 + 4 H+ = SiO2 + 2 Co+2 + 2 H2O + log_k 6.6808 + -delta_H -88.6924 kJ/mol # Calculated enthalpy of reaction Co2SiO4 # Enthalpy of formation: -353.011 kcal/mol - -analytic -3.9978e+000 -3.7985e-003 5.1554e+003 -1.5033e+000 -1.6100e+005 + -analytic -3.9978e+0 -3.7985e-3 5.1554e+3 -1.5033e+0 -1.61e+5 # -Range: 0-300 Co3(AsO4)2 - Co3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Co++ - log_k 8.5318 - -delta_H 0 # Not possible to calculate enthalpy of reaction Co3(AsO4)2 + Co3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Co+2 + log_k 8.5318 + -delta_H 0 # Not possible to calculate enthalpy of reaction Co3(AsO4)2 # Enthalpy of formation: 0 kcal/mol Co3(PO4)2 - Co3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Co++ - log_k -10.0123 - -delta_H 0 # Not possible to calculate enthalpy of reaction Co3(PO4)2 + Co3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Co+2 + log_k -10.0123 + -delta_H 0 # Not possible to calculate enthalpy of reaction Co3(PO4)2 # Enthalpy of formation: 0 kcal/mol CoCl2 - CoCl2 = + 1.0000 Co++ + 2.0000 Cl- - log_k 8.2641 - -delta_H -79.5949 kJ/mol # Calculated enthalpy of reaction CoCl2 + CoCl2 = Co+2 + 2 Cl- + log_k 8.2641 + -delta_H -79.5949 kJ/mol # Calculated enthalpy of reaction CoCl2 # Enthalpy of formation: -312.722 kJ/mol - -analytic -2.2386e+002 -8.0936e-002 8.8631e+003 9.1528e+001 1.3837e+002 + -analytic -2.2386e+2 -8.0936e-2 8.8631e+3 9.1528e+1 1.3837e+2 # -Range: 0-300 CoCl2:2H2O - CoCl2:2H2O = + 1.0000 Co++ + 2.0000 Cl- + 2.0000 H2O - log_k 4.6661 - -delta_H -40.7876 kJ/mol # Calculated enthalpy of reaction CoCl2:2H2O + CoCl2:2H2O = Co+2 + 2 Cl- + 2 H2O + log_k 4.6661 + -delta_H -40.7876 kJ/mol # Calculated enthalpy of reaction CoCl2:2H2O # Enthalpy of formation: -923.206 kJ/mol - -analytic -5.6411e+001 -2.3390e-002 3.0519e+003 2.3361e+001 5.1845e+001 + -analytic -5.6411e+1 -2.339e-2 3.0519e+3 2.3361e+1 5.1845e+1 # -Range: 0-200 CoCl2:6H2O - CoCl2:6H2O = + 1.0000 Co++ + 2.0000 Cl- + 6.0000 H2O - log_k 2.6033 - -delta_H 8.32709 kJ/mol # Calculated enthalpy of reaction CoCl2:6H2O + CoCl2:6H2O = Co+2 + 2 Cl- + 6 H2O + log_k 2.6033 + -delta_H 8.32709 kJ/mol # Calculated enthalpy of reaction CoCl2:6H2O # Enthalpy of formation: -2115.67 kJ/mol - -analytic -1.5066e+002 -2.2132e-002 5.0591e+003 5.7743e+001 8.5962e+001 + -analytic -1.5066e+2 -2.2132e-2 5.0591e+3 5.7743e+1 8.5962e+1 # -Range: 0-200 CoF2 - CoF2 = + 1.0000 Co++ + 2.0000 F- - log_k -5.1343 - -delta_H -36.6708 kJ/mol # Calculated enthalpy of reaction CoF2 + CoF2 = Co+2 + 2 F- + log_k -5.1343 + -delta_H -36.6708 kJ/mol # Calculated enthalpy of reaction CoF2 # Enthalpy of formation: -692.182 kJ/mol - -analytic -2.5667e+002 -8.4071e-002 7.6256e+003 1.0143e+002 1.1907e+002 + -analytic -2.5667e+2 -8.4071e-2 7.6256e+3 1.0143e+2 1.1907e+2 # -Range: 0-300 CoF3 - CoF3 = + 1.0000 Co+++ + 3.0000 F- - log_k -4.9558 - -delta_H -103.136 kJ/mol # Calculated enthalpy of reaction CoF3 + CoF3 = Co+3 + 3 F- + log_k -4.9558 + -delta_H -103.136 kJ/mol # Calculated enthalpy of reaction CoF3 # Enthalpy of formation: -193.8 kcal/mol - -analytic -3.7854e+002 -1.2911e-001 1.3215e+004 1.4859e+002 2.0632e+002 + -analytic -3.7854e+2 -1.2911e-1 1.3215e+4 1.4859e+2 2.0632e+2 # -Range: 0-300 CoFe2O4 - CoFe2O4 +8.0000 H+ = + 1.0000 Co++ + 2.0000 Fe+++ + 4.0000 H2O - log_k 0.8729 - -delta_H -160.674 kJ/mol # Calculated enthalpy of reaction CoFe2O4 + CoFe2O4 + 8 H+ = Co+2 + 2 Fe+3 + 4 H2O + log_k 0.8729 + -delta_H -160.674 kJ/mol # Calculated enthalpy of reaction CoFe2O4 # Enthalpy of formation: -272.466 kcal/mol - -analytic -3.0149e+002 -7.9159e-002 1.5683e+004 1.1046e+002 2.4480e+002 + -analytic -3.0149e+2 -7.9159e-2 1.5683e+4 1.1046e+2 2.448e+2 # -Range: 0-300 CoHPO4 - CoHPO4 = + 1.0000 Co++ + 1.0000 HPO4-- - log_k -6.7223 - -delta_H 0 # Not possible to calculate enthalpy of reaction CoHPO4 + CoHPO4 = Co+2 + HPO4-2 + log_k -6.7223 + -delta_H 0 # Not possible to calculate enthalpy of reaction CoHPO4 # Enthalpy of formation: 0 kcal/mol CoO - CoO +2.0000 H+ = + 1.0000 Co++ + 1.0000 H2O - log_k 13.5553 - -delta_H -106.05 kJ/mol # Calculated enthalpy of reaction CoO + CoO + 2 H+ = Co+2 + H2O + log_k 13.5553 + -delta_H -106.05 kJ/mol # Calculated enthalpy of reaction CoO # Enthalpy of formation: -237.946 kJ/mol - -analytic -8.4424e+001 -1.9457e-002 7.8616e+003 3.1281e+001 1.2270e+002 + -analytic -8.4424e+1 -1.9457e-2 7.8616e+3 3.1281e+1 1.227e+2 # -Range: 0-300 CoS - CoS +1.0000 H+ = + 1.0000 Co++ + 1.0000 HS- - log_k -7.3740 - -delta_H 10.1755 kJ/mol # Calculated enthalpy of reaction CoS + CoS + H+ = Co+2 + HS- + log_k -7.374 + -delta_H 10.1755 kJ/mol # Calculated enthalpy of reaction CoS # Enthalpy of formation: -20.182 kcal/mol - -analytic -1.5128e+002 -4.8484e-002 2.9553e+003 5.9983e+001 4.6158e+001 + -analytic -1.5128e+2 -4.8484e-2 2.9553e+3 5.9983e+1 4.6158e+1 # -Range: 0-300 CoSO4 - CoSO4 = + 1.0000 Co++ + 1.0000 SO4-- - log_k 2.8996 - -delta_H -79.7952 kJ/mol # Calculated enthalpy of reaction CoSO4 + CoSO4 = Co+2 + SO4-2 + log_k 2.8996 + -delta_H -79.7952 kJ/mol # Calculated enthalpy of reaction CoSO4 # Enthalpy of formation: -887.964 kJ/mol - -analytic -1.9907e+002 -7.7890e-002 7.7193e+003 8.0525e+001 1.2051e+002 + -analytic -1.9907e+2 -7.789e-2 7.7193e+3 8.0525e+1 1.2051e+2 # -Range: 0-300 CoSO4.3Co(OH)2 - CoSO4(Co(OH)2)3 +6.0000 H+ = + 1.0000 SO4-- + 4.0000 Co++ + 6.0000 H2O - log_k 33.2193 - -delta_H -379.41 kJ/mol # Calculated enthalpy of reaction CoSO4.3Co(OH)2 + CoSO4(Co(OH)2)3 + 6 H+ = SO4-2 + 4 Co+2 + 6 H2O + log_k 33.2193 + -delta_H -379.41 kJ/mol # Calculated enthalpy of reaction CoSO4.3Co(OH)2 # Enthalpy of formation: -2477.85 kJ/mol - -analytic -2.2830e+002 -4.0197e-002 2.5937e+004 7.5367e+001 4.4053e+002 + -analytic -2.283e+2 -4.0197e-2 2.5937e+4 7.5367e+1 4.4053e+2 # -Range: 0-200 CoSO4:6H2O - CoSO4:6H2O = + 1.0000 Co++ + 1.0000 SO4-- + 6.0000 H2O - log_k -2.3512 - -delta_H 1.08483 kJ/mol # Calculated enthalpy of reaction CoSO4:6H2O + CoSO4:6H2O = Co+2 + SO4-2 + 6 H2O + log_k -2.3512 + -delta_H 1.08483 kJ/mol # Calculated enthalpy of reaction CoSO4:6H2O # Enthalpy of formation: -2683.87 kJ/mol - -analytic -2.5469e+002 -7.3092e-002 6.6767e+003 1.0172e+002 1.0426e+002 + -analytic -2.5469e+2 -7.3092e-2 6.6767e+3 1.0172e+2 1.0426e+2 # -Range: 0-300 CoSO4:H2O - CoSO4:H2O = + 1.0000 Co++ + 1.0000 H2O + 1.0000 SO4-- - log_k -1.2111 - -delta_H -52.6556 kJ/mol # Calculated enthalpy of reaction CoSO4:H2O + CoSO4:H2O = Co+2 + H2O + SO4-2 + log_k -1.2111 + -delta_H -52.6556 kJ/mol # Calculated enthalpy of reaction CoSO4:H2O # Enthalpy of formation: -287.032 kcal/mol - -analytic -1.0570e+001 -1.6196e-002 1.7180e+003 3.4000e+000 2.9178e+001 + -analytic -1.057e+1 -1.6196e-2 1.718e+3 3.4e+0 2.9178e+1 # -Range: 0-200 CoSeO3 - CoSeO3 = + 1.0000 Co++ + 1.0000 SeO3-- - log_k -7.0800 - -delta_H 0 # Not possible to calculate enthalpy of reaction CoSeO3 + CoSeO3 = Co+2 + SeO3-2 + log_k -7.08 + -delta_H 0 # Not possible to calculate enthalpy of reaction CoSeO3 # Enthalpy of formation: 0 kcal/mol CoWO4 - CoWO4 = + 1.0000 Co++ + 1.0000 WO4-- - log_k -12.2779 - -delta_H 13.6231 kJ/mol # Calculated enthalpy of reaction CoWO4 + CoWO4 = Co+2 + WO4-2 + log_k -12.2779 + -delta_H 13.6231 kJ/mol # Calculated enthalpy of reaction CoWO4 # Enthalpy of formation: -274.256 kcal/mol - -analytic -3.7731e+001 -2.4719e-002 -1.0347e+003 1.4663e+001 -1.7558e+001 + -analytic -3.7731e+1 -2.4719e-2 -1.0347e+3 1.4663e+1 -1.7558e+1 # -Range: 0-200 Coesite - SiO2 = + 1.0000 SiO2 - log_k -3.1893 - -delta_H 28.6144 kJ/mol # Calculated enthalpy of reaction Coesite + SiO2 = SiO2 + log_k -3.1893 + -delta_H 28.6144 kJ/mol # Calculated enthalpy of reaction Coesite # Enthalpy of formation: -216.614 kcal/mol - -analytic -9.7312e+000 9.1773e-003 4.2143e+003 -7.8065e-001 -7.4905e+005 + -analytic -9.7312e+0 9.1773e-3 4.2143e+3 -7.8065e-1 -7.4905e+5 # -Range: 0-300 Coffinite - USiO4 +4.0000 H+ = + 1.0000 SiO2 + 1.0000 U++++ + 2.0000 H2O - log_k -8.0530 - -delta_H -49.2493 kJ/mol # Calculated enthalpy of reaction Coffinite + USiO4 + 4 H+ = SiO2 + U+4 + 2 H2O + log_k -8.053 + -delta_H -49.2493 kJ/mol # Calculated enthalpy of reaction Coffinite # Enthalpy of formation: -1991.33 kJ/mol - -analytic 2.3126e+002 6.2389e-002 -4.6189e+003 -9.7976e+001 -7.8517e+001 + -analytic 2.3126e+2 6.2389e-2 -4.6189e+3 -9.7976e+1 -7.8517e+1 # -Range: 0-200 Colemanite - Ca2B6O11:5H2O +4.0000 H+ +2.0000 H2O = + 2.0000 Ca++ + 6.0000 B(OH)3 - log_k 21.5148 - -delta_H 0 # Not possible to calculate enthalpy of reaction Colemanite + Ca2B6O11:5H2O + 4 H+ + 2 H2O = 2 Ca+2 + 6 B(OH)3 + log_k 21.5148 + -delta_H 0 # Not possible to calculate enthalpy of reaction Colemanite # Enthalpy of formation: 0 kcal/mol Cordierite_anhyd - Mg2Al4Si5O18 +16.0000 H+ = + 2.0000 Mg++ + 4.0000 Al+++ + 5.0000 SiO2 + 8.0000 H2O - log_k 52.3035 - -delta_H -626.219 kJ/mol # Calculated enthalpy of reaction Cordierite_anhyd + Mg2Al4Si5O18 + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 8 H2O + log_k 52.3035 + -delta_H -626.219 kJ/mol # Calculated enthalpy of reaction Cordierite_anhyd # Enthalpy of formation: -2183.2 kcal/mol - -analytic 2.6562e+000 -2.3801e-002 3.5192e+004 -1.9911e+001 -1.0894e+006 + -analytic 2.6562e+0 -2.3801e-2 3.5192e+4 -1.9911e+1 -1.0894e+6 # -Range: 0-300 Cordierite_hydr - Mg2Al4Si5O18:H2O +16.0000 H+ = + 2.0000 Mg++ + 4.0000 Al+++ + 5.0000 SiO2 + 9.0000 H2O - log_k 49.8235 - -delta_H -608.814 kJ/mol # Calculated enthalpy of reaction Cordierite_hydr + Mg2Al4Si5O18:H2O + 16 H+ = 2 Mg+2 + 4 Al+3 + 5 SiO2 + 9 H2O + log_k 49.8235 + -delta_H -608.814 kJ/mol # Calculated enthalpy of reaction Cordierite_hydr # Enthalpy of formation: -2255.68 kcal/mol - -analytic -1.2985e+002 -4.1335e-002 4.1566e+004 2.7892e+001 -1.4819e+006 + -analytic -1.2985e+2 -4.1335e-2 4.1566e+4 2.7892e+1 -1.4819e+6 # -Range: 0-300 Corkite - PbFe3(PO4)(SO4)(OH)6 +7.0000 H+ = + 1.0000 HPO4-- + 1.0000 Pb++ + 1.0000 SO4-- + 3.0000 Fe+++ + 6.0000 H2O - log_k -9.7951 - -delta_H 0 # Not possible to calculate enthalpy of reaction Corkite + PbFe3(PO4)(SO4)(OH)6 + 7 H+ = HPO4-2 + Pb+2 + SO4-2 + 3 Fe+3 + 6 H2O + log_k -9.7951 + -delta_H 0 # Not possible to calculate enthalpy of reaction Corkite # Enthalpy of formation: 0 kcal/mol Corundum - Al2O3 +6.0000 H+ = + 2.0000 Al+++ + 3.0000 H2O - log_k 18.3121 - -delta_H -258.626 kJ/mol # Calculated enthalpy of reaction Corundum + Al2O3 + 6 H+ = 2 Al+3 + 3 H2O + log_k 18.3121 + -delta_H -258.626 kJ/mol # Calculated enthalpy of reaction Corundum # Enthalpy of formation: -400.5 kcal/mol - -analytic -1.4278e+002 -7.8519e-002 1.3776e+004 5.5881e+001 2.1501e+002 + -analytic -1.4278e+2 -7.8519e-2 1.3776e+4 5.5881e+1 2.1501e+2 # -Range: 0-300 Cotunnite - PbCl2 = + 1.0000 Pb++ + 2.0000 Cl- - log_k -4.8406 - -delta_H 26.1441 kJ/mol # Calculated enthalpy of reaction Cotunnite + PbCl2 = Pb+2 + 2 Cl- + log_k -4.8406 + -delta_H 26.1441 kJ/mol # Calculated enthalpy of reaction Cotunnite # Enthalpy of formation: -359.383 kJ/mol - -analytic 1.9624e+001 -1.9161e-002 -3.4686e+003 -2.8806e+000 -5.8909e+001 + -analytic 1.9624e+1 -1.9161e-2 -3.4686e+3 -2.8806e+0 -5.8909e+1 # -Range: 0-200 Covellite - CuS +1.0000 H+ = + 1.0000 Cu++ + 1.0000 HS- - log_k -22.8310 - -delta_H 101.88 kJ/mol # Calculated enthalpy of reaction Covellite + CuS + H+ = Cu+2 + HS- + log_k -22.831 + -delta_H 101.88 kJ/mol # Calculated enthalpy of reaction Covellite # Enthalpy of formation: -12.5 kcal/mol - -analytic -1.6068e+002 -4.9040e-002 -1.4234e+003 6.3536e+001 -2.2164e+001 + -analytic -1.6068e+2 -4.904e-2 -1.4234e+3 6.3536e+1 -2.2164e+1 # -Range: 0-300 Cr - Cr +3.0000 H+ +0.7500 O2 = + 1.0000 Cr+++ + 1.5000 H2O - log_k 98.6784 - -delta_H -658.145 kJ/mol # Calculated enthalpy of reaction Cr + Cr + 3 H+ + 0.75 O2 = Cr+3 + 1.5 H2O + log_k 98.6784 + -delta_H -658.145 kJ/mol # Calculated enthalpy of reaction Cr # Enthalpy of formation: 0 kJ/mol - -analytic -2.2488e+001 -5.5886e-003 3.4288e+004 3.1585e+000 5.3503e+002 + -analytic -2.2488e+1 -5.5886e-3 3.4288e+4 3.1585e+0 5.3503e+2 # -Range: 0-300 CrCl3 - CrCl3 = + 1.0000 Cr+++ + 3.0000 Cl- - log_k 17.9728 - -delta_H -183.227 kJ/mol # Calculated enthalpy of reaction CrCl3 + CrCl3 = Cr+3 + 3 Cl- + log_k 17.9728 + -delta_H -183.227 kJ/mol # Calculated enthalpy of reaction CrCl3 # Enthalpy of formation: -556.5 kJ/mol - -analytic -2.6348e+002 -9.5339e-002 1.4785e+004 1.0517e+002 2.3079e+002 + -analytic -2.6348e+2 -9.5339e-2 1.4785e+4 1.0517e+2 2.3079e+2 # -Range: 0-300 CrF3 - CrF3 = + 1.0000 Cr+++ + 3.0000 F- - log_k -8.5713 - -delta_H -85.5293 kJ/mol # Calculated enthalpy of reaction CrF3 + CrF3 = Cr+3 + 3 F- + log_k -8.5713 + -delta_H -85.5293 kJ/mol # Calculated enthalpy of reaction CrF3 # Enthalpy of formation: -277.008 kcal/mol - -analytic -3.2175e+002 -1.0279e-001 1.1394e+004 1.2348e+002 1.7789e+002 + -analytic -3.2175e+2 -1.0279e-1 1.1394e+4 1.2348e+2 1.7789e+2 # -Range: 0-300 CrF4 - CrF4 +2.0000 H2O = + 0.5000 Cr++ + 0.5000 CrO4-- + 4.0000 F- + 4.0000 H+ - log_k -12.3132 - -delta_H -35.2125 kJ/mol # Calculated enthalpy of reaction CrF4 + CrF4 + 2 H2O = 0.5 Cr+2 + 0.5 CrO4-2 + 4 F- + 4 H+ + log_k -12.3132 + -delta_H -35.2125 kJ/mol # Calculated enthalpy of reaction CrF4 # Enthalpy of formation: -298 kcal/mol - -analytic 4.3136e+001 -4.3783e-002 -3.6809e+003 -1.2153e+001 -6.2521e+001 + -analytic 4.3136e+1 -4.3783e-2 -3.6809e+3 -1.2153e+1 -6.2521e+1 # -Range: 0-200 CrI3 - CrI3 = + 1.0000 Cr+++ + 3.0000 I- - log_k 25.6112 - -delta_H -204.179 kJ/mol # Calculated enthalpy of reaction CrI3 + CrI3 = Cr+3 + 3 I- + log_k 25.6112 + -delta_H -204.179 kJ/mol # Calculated enthalpy of reaction CrI3 # Enthalpy of formation: -49 kcal/mol - -analytic 4.9232e+000 -2.5164e-002 8.4026e+003 0.0000e+000 0.0000e+000 + -analytic 4.9232e+0 -2.5164e-2 8.4026e+3 0e+0 0e+0 # -Range: 0-200 CrO2 - CrO2 = + 0.5000 Cr++ + 0.5000 CrO4-- - log_k -19.1332 - -delta_H 85.9812 kJ/mol # Calculated enthalpy of reaction CrO2 + CrO2 = 0.5 Cr+2 + 0.5 CrO4-2 + log_k -19.1332 + -delta_H 85.9812 kJ/mol # Calculated enthalpy of reaction CrO2 # Enthalpy of formation: -143 kcal/mol - -analytic 2.7763e+000 -7.7698e-003 -5.2893e+003 -7.4970e-001 -8.9821e+001 + -analytic 2.7763e+0 -7.7698e-3 -5.2893e+3 -7.497e-1 -8.9821e+1 # -Range: 0-200 CrO3 - CrO3 +1.0000 H2O = + 1.0000 CrO4-- + 2.0000 H+ - log_k -3.5221 - -delta_H -5.78647 kJ/mol # Calculated enthalpy of reaction CrO3 + CrO3 + H2O = CrO4-2 + 2 H+ + log_k -3.5221 + -delta_H -5.78647 kJ/mol # Calculated enthalpy of reaction CrO3 # Enthalpy of formation: -140.9 kcal/mol - -analytic -1.3262e+002 -6.1411e-002 2.2083e+003 5.6564e+001 3.4497e+001 + -analytic -1.3262e+2 -6.1411e-2 2.2083e+3 5.6564e+1 3.4497e+1 # -Range: 0-300 CrS - CrS +1.0000 H+ = + 1.0000 Cr++ + 1.0000 HS- - log_k -0.6304 - -delta_H -26.15 kJ/mol # Calculated enthalpy of reaction CrS + CrS + H+ = Cr+2 + HS- + log_k -0.6304 + -delta_H -26.15 kJ/mol # Calculated enthalpy of reaction CrS # Enthalpy of formation: -31.9 kcal/mol - -analytic -1.1134e+002 -3.5954e-002 3.8744e+003 4.3815e+001 6.0490e+001 + -analytic -1.1134e+2 -3.5954e-2 3.8744e+3 4.3815e+1 6.049e+1 # -Range: 0-300 Cristobalite(alpha) - SiO2 = + 1.0000 SiO2 - log_k -3.4488 - -delta_H 29.2043 kJ/mol # Calculated enthalpy of reaction Cristobalite(alpha) + SiO2 = SiO2 + log_k -3.4488 + -delta_H 29.2043 kJ/mol # Calculated enthalpy of reaction Cristobalite(alpha) # Enthalpy of formation: -216.755 kcal/mol - -analytic -1.1936e+001 9.0520e-003 4.3701e+003 -1.1464e-001 -7.6568e+005 + -analytic -1.1936e+1 9.052e-3 4.3701e+3 -1.1464e-1 -7.6568e+5 # -Range: 0-300 Cristobalite(beta) - SiO2 = + 1.0000 SiO2 - log_k -3.0053 - -delta_H 24.6856 kJ/mol # Calculated enthalpy of reaction Cristobalite(beta) + SiO2 = SiO2 + log_k -3.0053 + -delta_H 24.6856 kJ/mol # Calculated enthalpy of reaction Cristobalite(beta) # Enthalpy of formation: -215.675 kcal/mol - -analytic -4.7414e+000 9.7567e-003 3.8831e+003 -2.5830e+000 -6.9636e+005 + -analytic -4.7414e+0 9.7567e-3 3.8831e+3 -2.583e+0 -6.9636e+5 # -Range: 0-300 Crocoite - PbCrO4 = + 1.0000 CrO4-- + 1.0000 Pb++ - log_k -12.7177 - -delta_H 48.6181 kJ/mol # Calculated enthalpy of reaction Crocoite + PbCrO4 = CrO4-2 + Pb+2 + log_k -12.7177 + -delta_H 48.6181 kJ/mol # Calculated enthalpy of reaction Crocoite # Enthalpy of formation: -222 kcal/mol - -analytic 3.0842e+001 -1.4430e-002 -5.0292e+003 -9.0525e+000 -8.5414e+001 + -analytic 3.0842e+1 -1.443e-2 -5.0292e+3 -9.0525e+0 -8.5414e+1 # -Range: 0-200 Cronstedtite-7A - Fe2Fe2SiO5(OH)4 +10.0000 H+ = + 1.0000 SiO2 + 2.0000 Fe++ + 2.0000 Fe+++ + 7.0000 H2O - log_k 16.2603 - -delta_H -244.266 kJ/mol # Calculated enthalpy of reaction Cronstedtite-7A + Fe2Fe2SiO5(OH)4 + 10 H+ = SiO2 + 2 Fe+2 + 2 Fe+3 + 7 H2O + log_k 16.2603 + -delta_H -244.266 kJ/mol # Calculated enthalpy of reaction Cronstedtite-7A # Enthalpy of formation: -697.413 kcal/mol - -analytic -2.3783e+002 -7.1026e-002 1.7752e+004 8.7147e+001 2.7707e+002 + -analytic -2.3783e+2 -7.1026e-2 1.7752e+4 8.7147e+1 2.7707e+2 # -Range: 0-300 Cs - Cs +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Cs+ - log_k 72.5987 - -delta_H -397.913 kJ/mol # Calculated enthalpy of reaction Cs + Cs + H+ + 0.25 O2 = 0.5 H2O + Cs+ + log_k 72.5987 + -delta_H -397.913 kJ/mol # Calculated enthalpy of reaction Cs # Enthalpy of formation: 0 kJ/mol - -analytic -1.2875e+001 -7.3845e-003 2.1019e+004 6.9347e+000 3.2799e+002 + -analytic -1.2875e+1 -7.3845e-3 2.1019e+4 6.9347e+0 3.2799e+2 # -Range: 0-300 Cs2NaAmCl6 - Cs2NaAmCl6 = + 1.0000 Am+++ + 1.0000 Na+ + 2.0000 Cs+ + 6.0000 Cl- - log_k 11.7089 - -delta_H -59.7323 kJ/mol # Calculated enthalpy of reaction Cs2NaAmCl6 + Cs2NaAmCl6 = Am+3 + Na+ + 2 Cs+ + 6 Cl- + log_k 11.7089 + -delta_H -59.7323 kJ/mol # Calculated enthalpy of reaction Cs2NaAmCl6 # Enthalpy of formation: -2315.8 kJ/mol - -analytic 5.1683e+001 -5.0340e-002 -2.3205e+003 -6.9536e+000 -3.9422e+001 + -analytic 5.1683e+1 -5.034e-2 -2.3205e+3 -6.9536e+0 -3.9422e+1 # -Range: 0-200 Cs2U2O7 - Cs2U2O7 +6.0000 H+ = + 2.0000 Cs+ + 2.0000 UO2++ + 3.0000 H2O - log_k 31.0263 - -delta_H -191.57 kJ/mol # Calculated enthalpy of reaction Cs2U2O7 + Cs2U2O7 + 6 H+ = 2 Cs+ + 2 UO2+2 + 3 H2O + log_k 31.0263 + -delta_H -191.57 kJ/mol # Calculated enthalpy of reaction Cs2U2O7 # Enthalpy of formation: -3220 kJ/mol - -analytic -5.1436e+001 -7.4096e-003 1.2524e+004 1.7827e+001 -1.2899e+005 + -analytic -5.1436e+1 -7.4096e-3 1.2524e+4 1.7827e+1 -1.2899e+5 # -Range: 0-300 Cs2U4O12 - Cs2U4O12 +8.0000 H+ = + 2.0000 Cs+ + 2.0000 UO2+ + 2.0000 UO2++ + 4.0000 H2O - log_k 18.9460 - -delta_H -175.862 kJ/mol # Calculated enthalpy of reaction Cs2U4O12 + Cs2U4O12 + 8 H+ = 2 Cs+ + 2 UO2+ + 2 UO2+2 + 4 H2O + log_k 18.946 + -delta_H -175.862 kJ/mol # Calculated enthalpy of reaction Cs2U4O12 # Enthalpy of formation: -5571.8 kJ/mol - -analytic -3.3411e+001 3.6196e-003 1.0508e+004 6.5823e+000 -2.3403e+004 + -analytic -3.3411e+1 3.6196e-3 1.0508e+4 6.5823e+0 -2.3403e+4 # -Range: 0-300 Cs2UO4 - Cs2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 Cs+ + 2.0000 H2O - log_k 35.8930 - -delta_H -178.731 kJ/mol # Calculated enthalpy of reaction Cs2UO4 + Cs2UO4 + 4 H+ = UO2+2 + 2 Cs+ + 2 H2O + log_k 35.893 + -delta_H -178.731 kJ/mol # Calculated enthalpy of reaction Cs2UO4 # Enthalpy of formation: -1928 kJ/mol - -analytic -3.0950e+001 -3.5650e-003 1.0690e+004 1.2949e+001 1.6682e+002 + -analytic -3.095e+1 -3.565e-3 1.069e+4 1.2949e+1 1.6682e+2 # -Range: 0-300 Cu - Cu +2.0000 H+ +0.5000 O2 = + 1.0000 Cu++ + 1.0000 H2O - log_k 31.5118 - -delta_H -214.083 kJ/mol # Calculated enthalpy of reaction Cu + Cu + 2 H+ + 0.5 O2 = Cu+2 + H2O + log_k 31.5118 + -delta_H -214.083 kJ/mol # Calculated enthalpy of reaction Cu # Enthalpy of formation: 0 kcal/mol - -analytic -7.0719e+001 -2.0300e-002 1.2802e+004 2.6401e+001 1.9979e+002 + -analytic -7.0719e+1 -2.03e-2 1.2802e+4 2.6401e+1 1.9979e+2 # -Range: 0-300 Cu3(PO4)2 - Cu3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Cu++ - log_k -12.2247 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cu3(PO4)2 + Cu3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Cu+2 + log_k -12.2247 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cu3(PO4)2 # Enthalpy of formation: 0 kcal/mol Cu3(PO4)2:3H2O - Cu3(PO4)2:3H2O +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Cu++ + 3.0000 H2O - log_k -10.4763 - -delta_H 0 # Not possible to calculate enthalpy of reaction Cu3(PO4)2:3H2O + Cu3(PO4)2:3H2O + 2 H+ = 2 HPO4-2 + 3 Cu+2 + 3 H2O + log_k -10.4763 + -delta_H 0 # Not possible to calculate enthalpy of reaction Cu3(PO4)2:3H2O # Enthalpy of formation: 0 kcal/mol CuCl2 - CuCl2 = + 1.0000 Cu++ + 2.0000 Cl- - log_k 3.7308 - -delta_H -48.5965 kJ/mol # Calculated enthalpy of reaction CuCl2 + CuCl2 = Cu+2 + 2 Cl- + log_k 3.7308 + -delta_H -48.5965 kJ/mol # Calculated enthalpy of reaction CuCl2 # Enthalpy of formation: -219.874 kJ/mol - -analytic -1.7803e+001 -2.4432e-002 1.5729e+003 9.5104e+000 2.6716e+001 + -analytic -1.7803e+1 -2.4432e-2 1.5729e+3 9.5104e+0 2.6716e+1 # -Range: 0-200 CuCr2O4 - CuCr2O4 +8.0000 H+ = + 1.0000 Cu++ + 2.0000 Cr+++ + 4.0000 H2O - log_k 16.2174 - -delta_H -268.768 kJ/mol # Calculated enthalpy of reaction CuCr2O4 + CuCr2O4 + 8 H+ = Cu+2 + 2 Cr+3 + 4 H2O + log_k 16.2174 + -delta_H -268.768 kJ/mol # Calculated enthalpy of reaction CuCr2O4 # Enthalpy of formation: -307.331 kcal/mol - -analytic -1.8199e+002 -1.0254e-002 2.0123e+004 5.4062e+001 3.4178e+002 + -analytic -1.8199e+2 -1.0254e-2 2.0123e+4 5.4062e+1 3.4178e+2 # -Range: 0-200 CuF - CuF = + 1.0000 Cu+ + 1.0000 F- - log_k 7.0800 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuF + CuF = Cu+ + F- + log_k 7.08 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuF # Enthalpy of formation: 0 kcal/mol CuF2 - CuF2 = + 1.0000 Cu++ + 2.0000 F- - log_k -0.6200 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuF2 + CuF2 = Cu+2 + 2 F- + log_k -0.62 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuF2 # Enthalpy of formation: 0 kcal/mol CuF2:2H2O - CuF2:2H2O = + 1.0000 Cu++ + 2.0000 F- + 2.0000 H2O - log_k -4.5500 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuF2:2H2O + CuF2:2H2O = Cu+2 + 2 F- + 2 H2O + log_k -4.55 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuF2:2H2O # Enthalpy of formation: 0 kcal/mol CuSeO3 - CuSeO3 = + 1.0000 Cu++ + 1.0000 SeO3-- - log_k -7.6767 - -delta_H 0 # Not possible to calculate enthalpy of reaction CuSeO3 + CuSeO3 = Cu+2 + SeO3-2 + log_k -7.6767 + -delta_H 0 # Not possible to calculate enthalpy of reaction CuSeO3 # Enthalpy of formation: 0 kcal/mol Cuprite - Cu2O +2.0000 H+ = + 1.0000 H2O + 2.0000 Cu+ - log_k -1.9031 - -delta_H 28.355 kJ/mol # Calculated enthalpy of reaction Cuprite + Cu2O + 2 H+ = H2O + 2 Cu+ + log_k -1.9031 + -delta_H 28.355 kJ/mol # Calculated enthalpy of reaction Cuprite # Enthalpy of formation: -40.83 kcal/mol - -analytic -8.6240e+001 -1.1445e-002 1.7851e+003 3.3041e+001 2.7880e+001 + -analytic -8.624e+1 -1.1445e-2 1.7851e+3 3.3041e+1 2.788e+1 # -Range: 0-300 Daphnite-14A - Fe5AlAlSi3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Fe++ + 12.0000 H2O - log_k 52.2821 - -delta_H -517.561 kJ/mol # Calculated enthalpy of reaction Daphnite-14A + Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O + log_k 52.2821 + -delta_H -517.561 kJ/mol # Calculated enthalpy of reaction Daphnite-14A # Enthalpy of formation: -1693.04 kcal/mol - -analytic -1.5261e+002 -6.1392e-002 2.8283e+004 5.1788e+001 4.4137e+002 + -analytic -1.5261e+2 -6.1392e-2 2.8283e+4 5.1788e+1 4.4137e+2 # -Range: 0-300 Daphnite-7A - Fe5AlAlSi3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 3.0000 SiO2 + 5.0000 Fe++ + 12.0000 H2O - log_k 55.6554 - -delta_H -532.326 kJ/mol # Calculated enthalpy of reaction Daphnite-7A + Fe5AlAlSi3O10(OH)8 + 16 H+ = 2 Al+3 + 3 SiO2 + 5 Fe+2 + 12 H2O + log_k 55.6554 + -delta_H -532.326 kJ/mol # Calculated enthalpy of reaction Daphnite-7A # Enthalpy of formation: -1689.51 kcal/mol - -analytic -1.6430e+002 -6.3160e-002 2.9499e+004 5.6442e+001 4.6035e+002 + -analytic -1.643e+2 -6.316e-2 2.9499e+4 5.6442e+1 4.6035e+2 # -Range: 0-300 Dawsonite - NaAlCO3(OH)2 +3.0000 H+ = + 1.0000 Al+++ + 1.0000 HCO3- + 1.0000 Na+ + 2.0000 H2O - log_k 4.3464 - -delta_H -76.3549 kJ/mol # Calculated enthalpy of reaction Dawsonite + NaAlCO3(OH)2 + 3 H+ = Al+3 + HCO3- + Na+ + 2 H2O + log_k 4.3464 + -delta_H -76.3549 kJ/mol # Calculated enthalpy of reaction Dawsonite # Enthalpy of formation: -1963.96 kJ/mol - -analytic -1.1393e+002 -2.3487e-002 7.1758e+003 4.0900e+001 1.2189e+002 + -analytic -1.1393e+2 -2.3487e-2 7.1758e+3 4.09e+1 1.2189e+2 # -Range: 0-200 Delafossite - CuFeO2 +4.0000 H+ = + 1.0000 Cu+ + 1.0000 Fe+++ + 2.0000 H2O - log_k -6.4172 - -delta_H -18.6104 kJ/mol # Calculated enthalpy of reaction Delafossite + CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O + log_k -6.4172 + -delta_H -18.6104 kJ/mol # Calculated enthalpy of reaction Delafossite # Enthalpy of formation: -126.904 kcal/mol - -analytic -1.5275e+002 -3.5478e-002 5.1404e+003 5.6437e+001 8.0255e+001 + -analytic -1.5275e+2 -3.5478e-2 5.1404e+3 5.6437e+1 8.0255e+1 # -Range: 0-300 Diaspore - AlHO2 +3.0000 H+ = + 1.0000 Al+++ + 2.0000 H2O - log_k 7.1603 - -delta_H -110.42 kJ/mol # Calculated enthalpy of reaction Diaspore + AlHO2 + 3 H+ = Al+3 + 2 H2O + log_k 7.1603 + -delta_H -110.42 kJ/mol # Calculated enthalpy of reaction Diaspore # Enthalpy of formation: -238.924 kcal/mol - -analytic -1.2618e+002 -3.1671e-002 8.8737e+003 4.5669e+001 1.3850e+002 + -analytic -1.2618e+2 -3.1671e-2 8.8737e+3 4.5669e+1 1.385e+2 # -Range: 0-300 Dicalcium_silicate - Ca2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Ca++ + 2.0000 H2O - log_k 37.1725 - -delta_H -217.642 kJ/mol # Calculated enthalpy of reaction Dicalcium_silicate + Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O + log_k 37.1725 + -delta_H -217.642 kJ/mol # Calculated enthalpy of reaction Dicalcium_silicate # Enthalpy of formation: -2317.9 kJ/mol - -analytic -5.9723e+001 -1.3682e-002 1.5461e+004 2.1547e+001 -3.7732e+005 + -analytic -5.9723e+1 -1.3682e-2 1.5461e+4 2.1547e+1 -3.7732e+5 # -Range: 0-300 Diopside - CaMgSi2O6 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 H2O + 2.0000 SiO2 - log_k 20.9643 - -delta_H -133.775 kJ/mol # Calculated enthalpy of reaction Diopside + CaMgSi2O6 + 4 H+ = Ca+2 + Mg+2 + 2 H2O + 2 SiO2 + log_k 20.9643 + -delta_H -133.775 kJ/mol # Calculated enthalpy of reaction Diopside # Enthalpy of formation: -765.378 kcal/mol - -analytic 7.1240e+001 1.5514e-002 8.1437e+003 -3.0672e+001 -5.6880e+005 + -analytic 7.124e+1 1.5514e-2 8.1437e+3 -3.0672e+1 -5.688e+5 # -Range: 0-300 Dioptase - CuSiO2(OH)2 +2.0000 H+ = + 1.0000 Cu++ + 1.0000 SiO2 + 2.0000 H2O - log_k 6.0773 - -delta_H -25.2205 kJ/mol # Calculated enthalpy of reaction Dioptase + CuSiO2(OH)2 + 2 H+ = Cu+2 + SiO2 + 2 H2O + log_k 6.0773 + -delta_H -25.2205 kJ/mol # Calculated enthalpy of reaction Dioptase # Enthalpy of formation: -1358.47 kJ/mol - -analytic 2.3913e+002 6.2669e-002 -5.4030e+003 -9.4420e+001 -9.1834e+001 + -analytic 2.3913e+2 6.2669e-2 -5.403e+3 -9.442e+1 -9.1834e+1 # -Range: 0-200 Dolomite - CaMg(CO3)2 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 HCO3- - log_k 2.5135 - -delta_H -59.9651 kJ/mol # Calculated enthalpy of reaction Dolomite + CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3- + log_k 2.5135 + -delta_H -59.9651 kJ/mol # Calculated enthalpy of reaction Dolomite # Enthalpy of formation: -556.631 kcal/mol - -analytic -3.1782e+002 -9.8179e-002 1.0845e+004 1.2657e+002 1.6932e+002 + -analytic -3.1782e+2 -9.8179e-2 1.0845e+4 1.2657e+2 1.6932e+2 # -Range: 0-300 Dolomite-dis - CaMg(CO3)2 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 HCO3- - log_k 4.0579 - -delta_H -72.2117 kJ/mol # Calculated enthalpy of reaction Dolomite-dis + CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3- + log_k 4.0579 + -delta_H -72.2117 kJ/mol # Calculated enthalpy of reaction Dolomite-dis # Enthalpy of formation: -553.704 kcal/mol - -analytic -3.1706e+002 -9.7886e-002 1.1442e+004 1.2604e+002 1.7864e+002 + -analytic -3.1706e+2 -9.7886e-2 1.1442e+4 1.2604e+2 1.7864e+2 # -Range: 0-300 Dolomite-ord - CaMg(CO3)2 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 2.0000 HCO3- - log_k 2.5135 - -delta_H -59.9651 kJ/mol # Calculated enthalpy of reaction Dolomite-ord + CaMg(CO3)2 + 2 H+ = Ca+2 + Mg+2 + 2 HCO3- + log_k 2.5135 + -delta_H -59.9651 kJ/mol # Calculated enthalpy of reaction Dolomite-ord # Enthalpy of formation: -556.631 kcal/mol - -analytic -3.1654e+002 -9.7902e-002 1.0805e+004 1.2607e+002 1.6870e+002 + -analytic -3.1654e+2 -9.7902e-2 1.0805e+4 1.2607e+2 1.687e+2 # -Range: 0-300 Downeyite - SeO2 +1.0000 H2O = + 1.0000 SeO3-- + 2.0000 H+ - log_k -6.7503 - -delta_H 1.74473 kJ/mol # Calculated enthalpy of reaction Downeyite + SeO2 + H2O = SeO3-2 + 2 H+ + log_k -6.7503 + -delta_H 1.74473 kJ/mol # Calculated enthalpy of reaction Downeyite # Enthalpy of formation: -53.8 kcal/mol - -analytic -1.2868e+002 -6.1183e-002 1.5802e+003 5.4490e+001 2.4696e+001 + -analytic -1.2868e+2 -6.1183e-2 1.5802e+3 5.449e+1 2.4696e+1 # -Range: 0-300 Dy - Dy +3.0000 H+ +0.7500 O2 = + 1.0000 Dy+++ + 1.5000 H2O - log_k 180.8306 - -delta_H -1116.29 kJ/mol # Calculated enthalpy of reaction Dy + Dy + 3 H+ + 0.75 O2 = Dy+3 + 1.5 H2O + log_k 180.8306 + -delta_H -1116.29 kJ/mol # Calculated enthalpy of reaction Dy # Enthalpy of formation: 0 kJ/mol - -analytic -6.8317e+001 -2.8321e-002 5.8927e+004 2.4211e+001 9.1953e+002 + -analytic -6.8317e+1 -2.8321e-2 5.8927e+4 2.4211e+1 9.1953e+2 # -Range: 0-300 Dy(OH)3 - Dy(OH)3 +3.0000 H+ = + 1.0000 Dy+++ + 3.0000 H2O - log_k 15.8852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)3 + Dy(OH)3 + 3 H+ = Dy+3 + 3 H2O + log_k 15.8852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)3 # Enthalpy of formation: 0 kcal/mol Dy(OH)3(am) - Dy(OH)3 +3.0000 H+ = + 1.0000 Dy+++ + 3.0000 H2O - log_k 17.4852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)3(am) + Dy(OH)3 + 3 H+ = Dy+3 + 3 H2O + log_k 17.4852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Dy(OH)3(am) # Enthalpy of formation: 0 kcal/mol Dy2(CO3)3 - Dy2(CO3)3 +3.0000 H+ = + 2.0000 Dy+++ + 3.0000 HCO3- - log_k -3.0136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Dy2(CO3)3 + Dy2(CO3)3 + 3 H+ = 2 Dy+3 + 3 HCO3- + log_k -3.0136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Dy2(CO3)3 # Enthalpy of formation: 0 kcal/mol Dy2O3 - Dy2O3 +6.0000 H+ = + 2.0000 Dy+++ + 3.0000 H2O - log_k 47.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Dy2O3 + Dy2O3 + 6 H+ = 2 Dy+3 + 3 H2O + log_k 47 + -delta_H 0 # Not possible to calculate enthalpy of reaction Dy2O3 # Enthalpy of formation: 0 kcal/mol DyF3:.5H2O - DyF3:.5H2O = + 0.5000 H2O + 1.0000 Dy+++ + 3.0000 F- - log_k -16.5000 - -delta_H 0 # Not possible to calculate enthalpy of reaction DyF3:.5H2O + DyF3:.5H2O = 0.5 H2O + Dy+3 + 3 F- + log_k -16.5 + -delta_H 0 # Not possible to calculate enthalpy of reaction DyF3:.5H2O # Enthalpy of formation: 0 kcal/mol DyPO4:10H2O - DyPO4:10H2O +1.0000 H+ = + 1.0000 Dy+++ + 1.0000 HPO4-- + 10.0000 H2O - log_k -11.9782 - -delta_H 0 # Not possible to calculate enthalpy of reaction DyPO4:10H2O + DyPO4:10H2O + H+ = Dy+3 + HPO4-2 + 10 H2O + log_k -11.9782 + -delta_H 0 # Not possible to calculate enthalpy of reaction DyPO4:10H2O # Enthalpy of formation: 0 kcal/mol Enstatite - MgSiO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 Mg++ + 1.0000 SiO2 - log_k 11.3269 - -delta_H -82.7302 kJ/mol # Calculated enthalpy of reaction Enstatite + MgSiO3 + 2 H+ = H2O + Mg+2 + SiO2 + log_k 11.3269 + -delta_H -82.7302 kJ/mol # Calculated enthalpy of reaction Enstatite # Enthalpy of formation: -369.686 kcal/mol - -analytic -4.9278e+001 -3.2832e-003 9.5205e+003 1.4437e+001 -5.4324e+005 + -analytic -4.9278e+1 -3.2832e-3 9.5205e+3 1.4437e+1 -5.4324e+5 # -Range: 0-300 Epidote - Ca2FeAl2Si3O12OH +13.0000 H+ = + 1.0000 Fe+++ + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 7.0000 H2O - log_k 32.9296 - -delta_H -386.451 kJ/mol # Calculated enthalpy of reaction Epidote + Ca2FeAl2Si3O12OH + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O + log_k 32.9296 + -delta_H -386.451 kJ/mol # Calculated enthalpy of reaction Epidote # Enthalpy of formation: -1543.99 kcal/mol - -analytic -2.6187e+001 -3.6436e-002 1.9351e+004 3.3671e+000 -3.0319e+005 + -analytic -2.6187e+1 -3.6436e-2 1.9351e+4 3.3671e+0 -3.0319e+5 # -Range: 0-300 Epidote-ord - FeCa2Al2(OH)(SiO4)3 +13.0000 H+ = + 1.0000 Fe+++ + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 7.0000 H2O - log_k 32.9296 - -delta_H -386.351 kJ/mol # Calculated enthalpy of reaction Epidote-ord + FeCa2Al2(OH)(SiO4)3 + 13 H+ = Fe+3 + 2 Al+3 + 2 Ca+2 + 3 SiO2 + 7 H2O + log_k 32.9296 + -delta_H -386.351 kJ/mol # Calculated enthalpy of reaction Epidote-ord # Enthalpy of formation: -1544.02 kcal/mol - -analytic 1.9379e+001 -3.2870e-002 1.5692e+004 -1.1901e+001 2.4485e+002 + -analytic 1.9379e+1 -3.287e-2 1.5692e+4 -1.1901e+1 2.4485e+2 # -Range: 0-300 Epsomite - MgSO4:7H2O = + 1.0000 Mg++ + 1.0000 SO4-- + 7.0000 H2O - log_k -1.9623 - -delta_H 0 # Not possible to calculate enthalpy of reaction Epsomite + MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O + log_k -1.9623 + -delta_H 0 # Not possible to calculate enthalpy of reaction Epsomite # Enthalpy of formation: 0 kcal/mol Er - Er +3.0000 H+ +0.7500 O2 = + 1.0000 Er+++ + 1.5000 H2O - log_k 181.7102 - -delta_H -1124.66 kJ/mol # Calculated enthalpy of reaction Er + Er + 3 H+ + 0.75 O2 = Er+3 + 1.5 H2O + log_k 181.7102 + -delta_H -1124.66 kJ/mol # Calculated enthalpy of reaction Er # Enthalpy of formation: 0 kJ/mol - -analytic -1.4459e+002 -3.8221e-002 6.4073e+004 5.1047e+001 -3.1503e+005 + -analytic -1.4459e+2 -3.8221e-2 6.4073e+4 5.1047e+1 -3.1503e+5 # -Range: 0-300 Er(OH)3 - Er(OH)3 +3.0000 H+ = + 1.0000 Er+++ + 3.0000 H2O - log_k 14.9852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Er(OH)3 + Er(OH)3 + 3 H+ = Er+3 + 3 H2O + log_k 14.9852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Er(OH)3 # Enthalpy of formation: 0 kcal/mol Er(OH)3(am) - Er(OH)3 +3.0000 H+ = + 1.0000 Er+++ + 3.0000 H2O - log_k 18.9852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Er(OH)3(am) + Er(OH)3 + 3 H+ = Er+3 + 3 H2O + log_k 18.9852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Er(OH)3(am) # Enthalpy of formation: 0 kcal/mol Er2(CO3)3 - Er2(CO3)3 +3.0000 H+ = + 2.0000 Er+++ + 3.0000 HCO3- - log_k -2.6136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Er2(CO3)3 + Er2(CO3)3 + 3 H+ = 2 Er+3 + 3 HCO3- + log_k -2.6136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Er2(CO3)3 # Enthalpy of formation: 0 kcal/mol Er2O3 - Er2O3 +6.0000 H+ = + 2.0000 Er+++ + 3.0000 H2O - log_k 42.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Er2O3 + Er2O3 + 6 H+ = 2 Er+3 + 3 H2O + log_k 42.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction Er2O3 # Enthalpy of formation: 0 kcal/mol ErF3:.5H2O - ErF3:.5H2O = + 0.5000 H2O + 1.0000 Er+++ + 3.0000 F- - log_k -16.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction ErF3:.5H2O + ErF3:.5H2O = 0.5 H2O + Er+3 + 3 F- + log_k -16.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction ErF3:.5H2O # Enthalpy of formation: 0 kcal/mol ErPO4:10H2O - ErPO4:10H2O +1.0000 H+ = + 1.0000 Er+++ + 1.0000 HPO4-- + 10.0000 H2O - log_k -11.8782 - -delta_H 0 # Not possible to calculate enthalpy of reaction ErPO4:10H2O + ErPO4:10H2O + H+ = Er+3 + HPO4-2 + 10 H2O + log_k -11.8782 + -delta_H 0 # Not possible to calculate enthalpy of reaction ErPO4:10H2O # Enthalpy of formation: 0 kcal/mol Erythrite - Co3(AsO4)2:8H2O +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Co++ + 8.0000 H2O - log_k 6.3930 - -delta_H 0 # Not possible to calculate enthalpy of reaction Erythrite + Co3(AsO4)2:8H2O + 4 H+ = 2 H2AsO4- + 3 Co+2 + 8 H2O + log_k 6.393 + -delta_H 0 # Not possible to calculate enthalpy of reaction Erythrite # Enthalpy of formation: 0 kcal/mol Eskolaite - Cr2O3 +2.0000 H2O +1.5000 O2 = + 2.0000 CrO4-- + 4.0000 H+ - log_k -9.1306 - -delta_H -32.6877 kJ/mol # Calculated enthalpy of reaction Eskolaite + Cr2O3 + 2 H2O + 1.5 O2 = 2 CrO4-2 + 4 H+ + log_k -9.1306 + -delta_H -32.6877 kJ/mol # Calculated enthalpy of reaction Eskolaite # Enthalpy of formation: -1139.74 kJ/mol - -analytic -2.0411e+002 -1.2809e-001 2.2197e+003 9.1186e+001 3.4697e+001 + -analytic -2.0411e+2 -1.2809e-1 2.2197e+3 9.1186e+1 3.4697e+1 # -Range: 0-300 Ettringite - Ca6Al2(SO4)3(OH)12:26H2O +12.0000 H+ = + 2.0000 Al+++ + 3.0000 SO4-- + 6.0000 Ca++ + 38.0000 H2O - log_k 62.5362 - -delta_H -382.451 kJ/mol # Calculated enthalpy of reaction Ettringite + Ca6Al2(SO4)3(OH)12:26H2O + 12 H+ = 2 Al+3 + 3 SO4-2 + 6 Ca+2 + 38 H2O + log_k 62.5362 + -delta_H -382.451 kJ/mol # Calculated enthalpy of reaction Ettringite # Enthalpy of formation: -4193 kcal/mol - -analytic -1.0576e+003 -1.1585e-001 5.9580e+004 3.8585e+002 1.0121e+003 + -analytic -1.0576e+3 -1.1585e-1 5.958e+4 3.8585e+2 1.0121e+3 # -Range: 0-200 Eu - Eu +3.0000 H+ +0.7500 O2 = + 1.0000 Eu+++ + 1.5000 H2O - log_k 165.1443 - -delta_H -1025.08 kJ/mol # Calculated enthalpy of reaction Eu + Eu + 3 H+ + 0.75 O2 = Eu+3 + 1.5 H2O + log_k 165.1443 + -delta_H -1025.08 kJ/mol # Calculated enthalpy of reaction Eu # Enthalpy of formation: 0 kJ/mol - -analytic -6.5749e+001 -2.8921e-002 5.4018e+004 2.3561e+001 8.4292e+002 + -analytic -6.5749e+1 -2.8921e-2 5.4018e+4 2.3561e+1 8.4292e+2 # -Range: 0-300 Eu(IO3)3:2H2O - Eu(IO3)3:2H2O = + 1.0000 Eu+++ + 2.0000 H2O + 3.0000 IO3- - log_k -11.6999 - -delta_H 20.8847 kJ/mol # Calculated enthalpy of reaction Eu(IO3)3:2H2O + Eu(IO3)3:2H2O = Eu+3 + 2 H2O + 3 IO3- + log_k -11.6999 + -delta_H 20.8847 kJ/mol # Calculated enthalpy of reaction Eu(IO3)3:2H2O # Enthalpy of formation: -1861.99 kJ/mol - -analytic -3.4616e+001 -1.9914e-002 -1.1966e+003 1.3276e+001 -2.0308e+001 + -analytic -3.4616e+1 -1.9914e-2 -1.1966e+3 1.3276e+1 -2.0308e+1 # -Range: 0-200 Eu(NO3)3:6H2O - Eu(NO3)3:6H2O = + 1.0000 Eu+++ + 3.0000 NO3- + 6.0000 H2O - log_k 1.3082 - -delta_H 15.2254 kJ/mol # Calculated enthalpy of reaction Eu(NO3)3:6H2O + Eu(NO3)3:6H2O = Eu+3 + 3 NO3- + 6 H2O + log_k 1.3082 + -delta_H 15.2254 kJ/mol # Calculated enthalpy of reaction Eu(NO3)3:6H2O # Enthalpy of formation: -2956.11 kJ/mol - -analytic -1.3205e+002 -2.0427e-002 3.9623e+003 5.0976e+001 6.7332e+001 + -analytic -1.3205e+2 -2.0427e-2 3.9623e+3 5.0976e+1 6.7332e+1 # -Range: 0-200 Eu(OH)2.5Cl.5 - Eu(OH)2.5Cl.5 +2.5000 H+ = + 0.5000 Cl- + 1.0000 Eu+++ + 2.5000 H2O - log_k 12.5546 - -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2.5Cl.5 + Eu(OH)2.5Cl.5 + 2.5 H+ = 0.5 Cl- + Eu+3 + 2.5 H2O + log_k 12.5546 + -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2.5Cl.5 # Enthalpy of formation: 0 kcal/mol Eu(OH)2Cl - Eu(OH)2Cl +2.0000 H+ = + 1.0000 Cl- + 1.0000 Eu+++ + 2.0000 H2O - log_k 8.7974 - -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2Cl + Eu(OH)2Cl + 2 H+ = Cl- + Eu+3 + 2 H2O + log_k 8.7974 + -delta_H 0 # Not possible to calculate enthalpy of reaction Eu(OH)2Cl # Enthalpy of formation: 0 kcal/mol Eu(OH)3 - Eu(OH)3 +3.0000 H+ = + 1.0000 Eu+++ + 3.0000 H2O - log_k 15.3482 - -delta_H -126.897 kJ/mol # Calculated enthalpy of reaction Eu(OH)3 + Eu(OH)3 + 3 H+ = Eu+3 + 3 H2O + log_k 15.3482 + -delta_H -126.897 kJ/mol # Calculated enthalpy of reaction Eu(OH)3 # Enthalpy of formation: -1336.04 kJ/mol - -analytic -6.3077e+001 -6.1421e-003 8.7323e+003 2.0595e+001 1.4831e+002 + -analytic -6.3077e+1 -6.1421e-3 8.7323e+3 2.0595e+1 1.4831e+2 # -Range: 0-200 Eu2(CO3)3:3H2O - Eu2(CO3)3:3H2O +3.0000 H+ = + 2.0000 Eu+++ + 3.0000 H2O + 3.0000 HCO3- - log_k -5.8707 - -delta_H -137.512 kJ/mol # Calculated enthalpy of reaction Eu2(CO3)3:3H2O + Eu2(CO3)3:3H2O + 3 H+ = 2 Eu+3 + 3 H2O + 3 HCO3- + log_k -5.8707 + -delta_H -137.512 kJ/mol # Calculated enthalpy of reaction Eu2(CO3)3:3H2O # Enthalpy of formation: -4000.65 kJ/mol - -analytic -1.4134e+002 -4.0240e-002 9.5883e+003 4.6591e+001 1.6287e+002 + -analytic -1.4134e+2 -4.024e-2 9.5883e+3 4.6591e+1 1.6287e+2 # -Range: 0-200 Eu2(SO4)3:8H2O - Eu2(SO4)3:8H2O = + 2.0000 Eu+++ + 3.0000 SO4-- + 8.0000 H2O - log_k -10.8524 - -delta_H -86.59 kJ/mol # Calculated enthalpy of reaction Eu2(SO4)3:8H2O + Eu2(SO4)3:8H2O = 2 Eu+3 + 3 SO4-2 + 8 H2O + log_k -10.8524 + -delta_H -86.59 kJ/mol # Calculated enthalpy of reaction Eu2(SO4)3:8H2O # Enthalpy of formation: -6139.77 kJ/mol - -analytic -5.6582e+001 -3.8846e-002 3.3821e+003 1.8561e+001 5.7452e+001 + -analytic -5.6582e+1 -3.8846e-2 3.3821e+3 1.8561e+1 5.7452e+1 # -Range: 0-200 Eu2O3(cubic) - Eu2O3 +6.0000 H+ = + 2.0000 Eu+++ + 3.0000 H2O - log_k 51.7818 - -delta_H -406.403 kJ/mol # Calculated enthalpy of reaction Eu2O3(cubic) + Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O + log_k 51.7818 + -delta_H -406.403 kJ/mol # Calculated enthalpy of reaction Eu2O3(cubic) # Enthalpy of formation: -1661.96 kJ/mol - -analytic -5.3469e+001 -1.2554e-002 2.1925e+004 1.4324e+001 3.7233e+002 + -analytic -5.3469e+1 -1.2554e-2 2.1925e+4 1.4324e+1 3.7233e+2 # -Range: 0-200 Eu2O3(monoclinic) - Eu2O3 +6.0000 H+ = + 2.0000 Eu+++ + 3.0000 H2O - log_k 53.3936 - -delta_H -417.481 kJ/mol # Calculated enthalpy of reaction Eu2O3(monoclinic) + Eu2O3 + 6 H+ = 2 Eu+3 + 3 H2O + log_k 53.3936 + -delta_H -417.481 kJ/mol # Calculated enthalpy of reaction Eu2O3(monoclinic) # Enthalpy of formation: -1650.88 kJ/mol - -analytic -5.4022e+001 -1.2627e-002 2.2508e+004 1.4416e+001 3.8224e+002 + -analytic -5.4022e+1 -1.2627e-2 2.2508e+4 1.4416e+1 3.8224e+2 # -Range: 0-200 Eu3O4 - Eu3O4 +8.0000 H+ = + 1.0000 Eu++ + 2.0000 Eu+++ + 4.0000 H2O - log_k 87.0369 - -delta_H -611.249 kJ/mol # Calculated enthalpy of reaction Eu3O4 + Eu3O4 + 8 H+ = Eu+2 + 2 Eu+3 + 4 H2O + log_k 87.0369 + -delta_H -611.249 kJ/mol # Calculated enthalpy of reaction Eu3O4 # Enthalpy of formation: -2270.56 kJ/mol - -analytic -1.1829e+002 -2.0354e-002 3.4981e+004 3.8007e+001 5.9407e+002 + -analytic -1.1829e+2 -2.0354e-2 3.4981e+4 3.8007e+1 5.9407e+2 # -Range: 0-200 EuBr3 - EuBr3 = + 1.0000 Eu+++ + 3.0000 Br- - log_k 29.8934 - -delta_H -217.166 kJ/mol # Calculated enthalpy of reaction EuBr3 + EuBr3 = Eu+3 + 3 Br- + log_k 29.8934 + -delta_H -217.166 kJ/mol # Calculated enthalpy of reaction EuBr3 # Enthalpy of formation: -752.769 kJ/mol - -analytic 6.0207e+001 -2.5234e-002 6.6823e+003 -1.8276e+001 1.1345e+002 + -analytic 6.0207e+1 -2.5234e-2 6.6823e+3 -1.8276e+1 1.1345e+2 # -Range: 0-200 EuCl2 - EuCl2 = + 1.0000 Eu++ + 2.0000 Cl- - log_k 5.9230 - -delta_H -39.2617 kJ/mol # Calculated enthalpy of reaction EuCl2 + EuCl2 = Eu+2 + 2 Cl- + log_k 5.923 + -delta_H -39.2617 kJ/mol # Calculated enthalpy of reaction EuCl2 # Enthalpy of formation: -822.5 kJ/mol - -analytic -2.5741e+001 -2.4956e-002 1.5713e+003 1.3670e+001 2.6691e+001 + -analytic -2.5741e+1 -2.4956e-2 1.5713e+3 1.367e+1 2.6691e+1 # -Range: 0-200 EuCl3 - EuCl3 = + 1.0000 Eu+++ + 3.0000 Cl- - log_k 19.7149 - -delta_H -170.861 kJ/mol # Calculated enthalpy of reaction EuCl3 + EuCl3 = Eu+3 + 3 Cl- + log_k 19.7149 + -delta_H -170.861 kJ/mol # Calculated enthalpy of reaction EuCl3 # Enthalpy of formation: -935.803 kJ/mol - -analytic 3.2865e+001 -3.1877e-002 4.9792e+003 -8.2294e+000 8.4542e+001 + -analytic 3.2865e+1 -3.1877e-2 4.9792e+3 -8.2294e+0 8.4542e+1 # -Range: 0-200 EuCl3:6H2O - EuCl3:6H2O = + 1.0000 Eu+++ + 3.0000 Cl- + 6.0000 H2O - log_k 4.9090 - -delta_H -40.0288 kJ/mol # Calculated enthalpy of reaction EuCl3:6H2O + EuCl3:6H2O = Eu+3 + 3 Cl- + 6 H2O + log_k 4.909 + -delta_H -40.0288 kJ/mol # Calculated enthalpy of reaction EuCl3:6H2O # Enthalpy of formation: -2781.66 kJ/mol - -analytic -1.0987e+002 -2.9851e-002 4.9991e+003 4.3198e+001 8.4930e+001 + -analytic -1.0987e+2 -2.9851e-2 4.9991e+3 4.3198e+1 8.493e+1 # -Range: 0-200 EuF3:0.5H2O - EuF3:0.5H2O = + 0.5000 H2O + 1.0000 Eu+++ + 3.0000 F- - log_k -16.4847 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuF3:0.5H2O + EuF3:0.5H2O = 0.5 H2O + Eu+3 + 3 F- + log_k -16.4847 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuF3:0.5H2O # Enthalpy of formation: 0 kcal/mol EuO - EuO +2.0000 H+ = + 1.0000 Eu++ + 1.0000 H2O - log_k 37.4800 - -delta_H -221.196 kJ/mol # Calculated enthalpy of reaction EuO + EuO + 2 H+ = Eu+2 + H2O + log_k 37.48 + -delta_H -221.196 kJ/mol # Calculated enthalpy of reaction EuO # Enthalpy of formation: -592.245 kJ/mol - -analytic -8.9517e+001 -1.7523e-002 1.4385e+004 3.3933e+001 2.2449e+002 + -analytic -8.9517e+1 -1.7523e-2 1.4385e+4 3.3933e+1 2.2449e+2 # -Range: 0-300 EuOCl - EuOCl +2.0000 H+ = + 1.0000 Cl- + 1.0000 Eu+++ + 1.0000 H2O - log_k 15.6683 - -delta_H -147.173 kJ/mol # Calculated enthalpy of reaction EuOCl + EuOCl + 2 H+ = Cl- + Eu+3 + H2O + log_k 15.6683 + -delta_H -147.173 kJ/mol # Calculated enthalpy of reaction EuOCl # Enthalpy of formation: -911.17 kJ/mol - -analytic -7.7446e+000 -1.4960e-002 6.6242e+003 2.2813e+000 1.1249e+002 + -analytic -7.7446e+0 -1.496e-2 6.6242e+3 2.2813e+0 1.1249e+2 # -Range: 0-200 EuOHCO3 - EuOHCO3 +2.0000 H+ = + 1.0000 Eu+++ + 1.0000 H2O + 1.0000 HCO3- - log_k 2.5239 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuOHCO3 + EuOHCO3 + 2 H+ = Eu+3 + H2O + HCO3- + log_k 2.5239 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuOHCO3 # Enthalpy of formation: 0 kcal/mol EuPO4:10H2O - EuPO4:10H2O +1.0000 H+ = + 1.0000 Eu+++ + 1.0000 HPO4-- + 10.0000 H2O - log_k -12.0782 - -delta_H 0 # Not possible to calculate enthalpy of reaction EuPO4:10H2O + EuPO4:10H2O + H+ = Eu+3 + HPO4-2 + 10 H2O + log_k -12.0782 + -delta_H 0 # Not possible to calculate enthalpy of reaction EuPO4:10H2O # Enthalpy of formation: 0 kcal/mol EuS - EuS +1.0000 H+ = + 1.0000 Eu++ + 1.0000 HS- - log_k 14.9068 - -delta_H -96.4088 kJ/mol # Calculated enthalpy of reaction EuS + EuS + H+ = Eu+2 + HS- + log_k 14.9068 + -delta_H -96.4088 kJ/mol # Calculated enthalpy of reaction EuS # Enthalpy of formation: -447.302 kJ/mol - -analytic -4.1026e+001 -1.5582e-002 5.7842e+003 1.6639e+001 9.8238e+001 + -analytic -4.1026e+1 -1.5582e-2 5.7842e+3 1.6639e+1 9.8238e+1 # -Range: 0-200 EuSO4 - EuSO4 = + 1.0000 Eu++ + 1.0000 SO4-- - log_k -8.8449 - -delta_H 33.873 kJ/mol # Calculated enthalpy of reaction EuSO4 + EuSO4 = Eu+2 + SO4-2 + log_k -8.8449 + -delta_H 33.873 kJ/mol # Calculated enthalpy of reaction EuSO4 # Enthalpy of formation: -1471.08 kJ/mol - -analytic 3.0262e-001 -1.7571e-002 -3.0392e+003 2.5356e+000 -5.1610e+001 + -analytic 3.0262e-1 -1.7571e-2 -3.0392e+3 2.5356e+0 -5.161e+1 # -Range: 0-200 Eucryptite - LiAlSiO4 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Li+ + 1.0000 SiO2 + 2.0000 H2O - log_k 13.6106 - -delta_H -141.818 kJ/mol # Calculated enthalpy of reaction Eucryptite + LiAlSiO4 + 4 H+ = Al+3 + Li+ + SiO2 + 2 H2O + log_k 13.6106 + -delta_H -141.818 kJ/mol # Calculated enthalpy of reaction Eucryptite # Enthalpy of formation: -2124.41 kJ/mol - -analytic -2.2213e+000 -8.2498e-003 6.4838e+003 -1.4183e+000 1.0117e+002 + -analytic -2.2213e+0 -8.2498e-3 6.4838e+3 -1.4183e+0 1.0117e+2 # -Range: 0-300 Fayalite - Fe2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Fe++ + 2.0000 H2O - log_k 19.1113 - -delta_H -152.256 kJ/mol # Calculated enthalpy of reaction Fayalite + Fe2SiO4 + 4 H+ = SiO2 + 2 Fe+2 + 2 H2O + log_k 19.1113 + -delta_H -152.256 kJ/mol # Calculated enthalpy of reaction Fayalite # Enthalpy of formation: -354.119 kcal/mol - -analytic 1.3853e+001 -3.5501e-003 7.1496e+003 -6.8710e+000 -6.3310e+004 + -analytic 1.3853e+1 -3.5501e-3 7.1496e+3 -6.871e+0 -6.331e+4 # -Range: 0-300 Fe - Fe +2.0000 H+ +0.5000 O2 = + 1.0000 Fe++ + 1.0000 H2O - log_k 59.0325 - -delta_H -372.029 kJ/mol # Calculated enthalpy of reaction Fe + Fe + 2 H+ + 0.5 O2 = Fe+2 + H2O + log_k 59.0325 + -delta_H -372.029 kJ/mol # Calculated enthalpy of reaction Fe # Enthalpy of formation: 0 kcal/mol - -analytic -6.2882e+001 -2.0379e-002 2.0690e+004 2.3673e+001 3.2287e+002 + -analytic -6.2882e+1 -2.0379e-2 2.069e+4 2.3673e+1 3.2287e+2 # -Range: 0-300 Fe(OH)2 - Fe(OH)2 +2.0000 H+ = + 1.0000 Fe++ + 2.0000 H2O - log_k 13.9045 - -delta_H -95.4089 kJ/mol # Calculated enthalpy of reaction Fe(OH)2 + Fe(OH)2 + 2 H+ = Fe+2 + 2 H2O + log_k 13.9045 + -delta_H -95.4089 kJ/mol # Calculated enthalpy of reaction Fe(OH)2 # Enthalpy of formation: -568.525 kJ/mol - -analytic -8.6666e+001 -1.8440e-002 7.5723e+003 3.2597e+001 1.1818e+002 + -analytic -8.6666e+1 -1.844e-2 7.5723e+3 3.2597e+1 1.1818e+2 # -Range: 0-300 Fe(OH)3 - Fe(OH)3 +3.0000 H+ = + 1.0000 Fe+++ + 3.0000 H2O - log_k 5.6556 - -delta_H -84.0824 kJ/mol # Calculated enthalpy of reaction Fe(OH)3 + Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O + log_k 5.6556 + -delta_H -84.0824 kJ/mol # Calculated enthalpy of reaction Fe(OH)3 # Enthalpy of formation: -823.013 kJ/mol - -analytic -1.3316e+002 -3.1284e-002 7.9753e+003 4.9052e+001 1.2449e+002 + -analytic -1.3316e+2 -3.1284e-2 7.9753e+3 4.9052e+1 1.2449e+2 # -Range: 0-300 Fe2(SO4)3 - Fe2(SO4)3 = + 2.0000 Fe+++ + 3.0000 SO4-- - log_k 3.2058 - -delta_H -250.806 kJ/mol # Calculated enthalpy of reaction Fe2(SO4)3 + Fe2(SO4)3 = 2 Fe+3 + 3 SO4-2 + log_k 3.2058 + -delta_H -250.806 kJ/mol # Calculated enthalpy of reaction Fe2(SO4)3 # Enthalpy of formation: -2577.16 kJ/mol - -analytic -5.8649e+002 -2.3718e-001 2.2736e+004 2.3601e+002 3.5495e+002 + -analytic -5.8649e+2 -2.3718e-1 2.2736e+4 2.3601e+2 3.5495e+2 # -Range: 0-300 FeF2 - FeF2 = + 1.0000 Fe++ + 2.0000 F- - log_k -2.3817 - -delta_H -51.6924 kJ/mol # Calculated enthalpy of reaction FeF2 + FeF2 = Fe+2 + 2 F- + log_k -2.3817 + -delta_H -51.6924 kJ/mol # Calculated enthalpy of reaction FeF2 # Enthalpy of formation: -711.26 kJ/mol - -analytic -2.5687e+002 -8.4091e-002 8.4262e+003 1.0154e+002 1.3156e+002 + -analytic -2.5687e+2 -8.4091e-2 8.4262e+3 1.0154e+2 1.3156e+2 # -Range: 0-300 FeF3 - FeF3 = + 1.0000 Fe+++ + 3.0000 F- - log_k -19.2388 - -delta_H -13.8072 kJ/mol # Calculated enthalpy of reaction FeF3 + FeF3 = Fe+3 + 3 F- + log_k -19.2388 + -delta_H -13.8072 kJ/mol # Calculated enthalpy of reaction FeF3 # Enthalpy of formation: -249 kcal/mol - -analytic -1.6215e+001 -3.7450e-002 -1.8926e+003 5.8485e+000 -3.2134e+001 + -analytic -1.6215e+1 -3.745e-2 -1.8926e+3 5.8485e+0 -3.2134e+1 # -Range: 0-200 FeO - FeO +2.0000 H+ = + 1.0000 Fe++ + 1.0000 H2O - log_k 13.5318 - -delta_H -106.052 kJ/mol # Calculated enthalpy of reaction FeO + FeO + 2 H+ = Fe+2 + H2O + log_k 13.5318 + -delta_H -106.052 kJ/mol # Calculated enthalpy of reaction FeO # Enthalpy of formation: -65.02 kcal/mol - -analytic -7.8750e+001 -1.8268e-002 7.6852e+003 2.9074e+001 1.1994e+002 + -analytic -7.875e+1 -1.8268e-2 7.6852e+3 2.9074e+1 1.1994e+2 # -Range: 0-300 FeSO4 - FeSO4 = + 1.0000 Fe++ + 1.0000 SO4-- - log_k 2.6565 - -delta_H -73.0878 kJ/mol # Calculated enthalpy of reaction FeSO4 + FeSO4 = Fe+2 + SO4-2 + log_k 2.6565 + -delta_H -73.0878 kJ/mol # Calculated enthalpy of reaction FeSO4 # Enthalpy of formation: -928.771 kJ/mol - -analytic -2.0794e+002 -7.6891e-002 7.8705e+003 8.3685e+001 1.2287e+002 + -analytic -2.0794e+2 -7.6891e-2 7.8705e+3 8.3685e+1 1.2287e+2 # -Range: 0-300 FeV2O4 - FeV2O4 +8.0000 H+ = + 1.0000 Fe++ + 2.0000 V+++ + 4.0000 H2O - log_k 280.5528 - -delta_H -1733.42 kJ/mol # Calculated enthalpy of reaction FeV2O4 + FeV2O4 + 8 H+ = Fe+2 + 2 V+3 + 4 H2O + log_k 280.5528 + -delta_H -1733.42 kJ/mol # Calculated enthalpy of reaction FeV2O4 # Enthalpy of formation: -5.8 kcal/mol - -analytic -1.6736e+002 -1.9398e-002 9.5736e+004 5.3582e+001 1.6258e+003 + -analytic -1.6736e+2 -1.9398e-2 9.5736e+4 5.3582e+1 1.6258e+3 # -Range: 0-200 Ferrite-Ca - CaFe2O4 +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Fe+++ + 4.0000 H2O - log_k 21.5217 - -delta_H -264.738 kJ/mol # Calculated enthalpy of reaction Ferrite-Ca + CaFe2O4 + 8 H+ = Ca+2 + 2 Fe+3 + 4 H2O + log_k 21.5217 + -delta_H -264.738 kJ/mol # Calculated enthalpy of reaction Ferrite-Ca # Enthalpy of formation: -363.494 kcal/mol - -analytic -2.8472e+002 -7.5870e-002 2.0688e+004 1.0485e+002 3.2289e+002 + -analytic -2.8472e+2 -7.587e-2 2.0688e+4 1.0485e+2 3.2289e+2 # -Range: 0-300 Ferrite-Cu - CuFe2O4 +8.0000 H+ = + 1.0000 Cu++ + 2.0000 Fe+++ + 4.0000 H2O - log_k 10.3160 - -delta_H -211.647 kJ/mol # Calculated enthalpy of reaction Ferrite-Cu + CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O + log_k 10.316 + -delta_H -211.647 kJ/mol # Calculated enthalpy of reaction Ferrite-Cu # Enthalpy of formation: -965.178 kJ/mol - -analytic -3.1271e+002 -7.9976e-002 1.8818e+004 1.1466e+002 2.9374e+002 + -analytic -3.1271e+2 -7.9976e-2 1.8818e+4 1.1466e+2 2.9374e+2 # -Range: 0-300 Ferrite-Dicalcium - Ca2Fe2O5 +10.0000 H+ = + 2.0000 Ca++ + 2.0000 Fe+++ + 5.0000 H2O - log_k 56.8331 - -delta_H -475.261 kJ/mol # Calculated enthalpy of reaction Ferrite-Dicalcium + Ca2Fe2O5 + 10 H+ = 2 Ca+2 + 2 Fe+3 + 5 H2O + log_k 56.8331 + -delta_H -475.261 kJ/mol # Calculated enthalpy of reaction Ferrite-Dicalcium # Enthalpy of formation: -2139.26 kJ/mol - -analytic -3.6277e+002 -9.5015e-002 3.3898e+004 1.3506e+002 5.2906e+002 + -analytic -3.6277e+2 -9.5015e-2 3.3898e+4 1.3506e+2 5.2906e+2 # -Range: 0-300 Ferrite-Mg - MgFe2O4 +8.0000 H+ = + 1.0000 Mg++ + 2.0000 Fe+++ + 4.0000 H2O - log_k 21.0551 - -delta_H -280.056 kJ/mol # Calculated enthalpy of reaction Ferrite-Mg + MgFe2O4 + 8 H+ = Mg+2 + 2 Fe+3 + 4 H2O + log_k 21.0551 + -delta_H -280.056 kJ/mol # Calculated enthalpy of reaction Ferrite-Mg # Enthalpy of formation: -1428.42 kJ/mol - -analytic -2.8297e+002 -7.4820e-002 2.1333e+004 1.0295e+002 3.3296e+002 + -analytic -2.8297e+2 -7.482e-2 2.1333e+4 1.0295e+2 3.3296e+2 # -Range: 0-300 Ferrite-Zn - ZnFe2O4 +8.0000 H+ = + 1.0000 Zn++ + 2.0000 Fe+++ + 4.0000 H2O - log_k 11.7342 - -delta_H -226.609 kJ/mol # Calculated enthalpy of reaction Ferrite-Zn + ZnFe2O4 + 8 H+ = Zn+2 + 2 Fe+3 + 4 H2O + log_k 11.7342 + -delta_H -226.609 kJ/mol # Calculated enthalpy of reaction Ferrite-Zn # Enthalpy of formation: -1169.29 kJ/mol - -analytic -2.9809e+002 -7.7263e-002 1.9067e+004 1.0866e+002 2.9761e+002 + -analytic -2.9809e+2 -7.7263e-2 1.9067e+4 1.0866e+2 2.9761e+2 # -Range: 0-300 Ferroselite - FeSe2 +0.5000 H2O = + 0.2500 O2 + 1.0000 Fe+++ + 1.0000 H+ + 2.0000 Se-- - log_k -80.7998 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ferroselite + FeSe2 + 0.5 H2O = 0.25 O2 + Fe+3 + H+ + 2 Se-2 + log_k -80.7998 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ferroselite # Enthalpy of formation: -25 kcal/mol - -analytic -7.2971e+001 -2.4992e-002 -1.6246e+004 2.1860e+001 -2.5348e+002 + -analytic -7.2971e+1 -2.4992e-2 -1.6246e+4 2.186e+1 -2.5348e+2 # -Range: 0-300 Ferrosilite - FeSiO3 +2.0000 H+ = + 1.0000 Fe++ + 1.0000 H2O + 1.0000 SiO2 - log_k 7.4471 - -delta_H -60.6011 kJ/mol # Calculated enthalpy of reaction Ferrosilite + FeSiO3 + 2 H+ = Fe+2 + H2O + SiO2 + log_k 7.4471 + -delta_H -60.6011 kJ/mol # Calculated enthalpy of reaction Ferrosilite # Enthalpy of formation: -285.658 kcal/mol - -analytic 9.0041e+000 3.7917e-003 5.1625e+003 -6.3009e+000 -3.9565e+005 + -analytic 9.0041e+0 3.7917e-3 5.1625e+3 -6.3009e+0 -3.9565e+5 # -Range: 0-300 Fluorapatite - Ca5(PO4)3F +3.0000 H+ = + 1.0000 F- + 3.0000 HPO4-- + 5.0000 Ca++ - log_k -24.9940 - -delta_H -90.8915 kJ/mol # Calculated enthalpy of reaction Fluorapatite + Ca5(PO4)3F + 3 H+ = F- + 3 HPO4-2 + 5 Ca+2 + log_k -24.994 + -delta_H -90.8915 kJ/mol # Calculated enthalpy of reaction Fluorapatite # Enthalpy of formation: -6836.12 kJ/mol - -analytic -9.3648e+002 -3.2688e-001 2.4398e+004 3.7461e+002 3.8098e+002 + -analytic -9.3648e+2 -3.2688e-1 2.4398e+4 3.7461e+2 3.8098e+2 # -Range: 0-300 Fluorite - CaF2 = + 1.0000 Ca++ + 2.0000 F- - log_k -10.0370 - -delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction Fluorite + CaF2 = Ca+2 + 2 F- + log_k -10.037 + -delta_H 12.1336 kJ/mol # Calculated enthalpy of reaction Fluorite # Enthalpy of formation: -293 kcal/mol - -analytic -2.5036e+002 -8.4183e-002 4.9525e+003 1.0054e+002 7.7353e+001 + -analytic -2.5036e+2 -8.4183e-2 4.9525e+3 1.0054e+2 7.7353e+1 # -Range: 0-300 Forsterite - Mg2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Mg++ - log_k 27.8626 - -delta_H -205.614 kJ/mol # Calculated enthalpy of reaction Forsterite + Mg2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Mg+2 + log_k 27.8626 + -delta_H -205.614 kJ/mol # Calculated enthalpy of reaction Forsterite # Enthalpy of formation: -520 kcal/mol - -analytic -7.6195e+001 -1.4013e-002 1.4763e+004 2.5090e+001 -3.0379e+005 + -analytic -7.6195e+1 -1.4013e-2 1.4763e+4 2.509e+1 -3.0379e+5 # -Range: 0-300 Foshagite - Ca4Si3O9(OH)2:0.5H2O +8.0000 H+ = + 3.0000 SiO2 + 4.0000 Ca++ + 5.5000 H2O - log_k 65.9210 - -delta_H -359.839 kJ/mol # Calculated enthalpy of reaction Foshagite + Ca4Si3O9(OH)2:0.5H2O + 8 H+ = 3 SiO2 + 4 Ca+2 + 5.5 H2O + log_k 65.921 + -delta_H -359.839 kJ/mol # Calculated enthalpy of reaction Foshagite # Enthalpy of formation: -1438.27 kcal/mol - -analytic 2.9983e+001 5.5272e-003 2.3427e+004 -1.3879e+001 -8.9461e+005 + -analytic 2.9983e+1 5.5272e-3 2.3427e+4 -1.3879e+1 -8.9461e+5 # -Range: 0-300 Frankdicksonite - BaF2 = + 1.0000 Ba++ + 2.0000 F- - log_k -5.7600 - -delta_H 0 # Not possible to calculate enthalpy of reaction Frankdicksonite + BaF2 = Ba+2 + 2 F- + log_k -5.76 + -delta_H 0 # Not possible to calculate enthalpy of reaction Frankdicksonite # Enthalpy of formation: 0 kcal/mol Freboldite - CoSe = + 1.0000 Co++ + 1.0000 Se-- - log_k -24.3358 - -delta_H 0 # Not possible to calculate enthalpy of reaction Freboldite + CoSe = Co+2 + Se-2 + log_k -24.3358 + -delta_H 0 # Not possible to calculate enthalpy of reaction Freboldite # Enthalpy of formation: -15.295 kcal/mol - -analytic -1.3763e+001 -1.6924e-003 -3.6938e+003 9.3574e-001 -6.2723e+001 + -analytic -1.3763e+1 -1.6924e-3 -3.6938e+3 9.3574e-1 -6.2723e+1 # -Range: 0-200 Ga - Ga +3.0000 H+ +0.7500 O2 = + 1.0000 Ga+++ + 1.5000 H2O - log_k 92.3567 - -delta_H -631.368 kJ/mol # Calculated enthalpy of reaction Ga + Ga + 3 H+ + 0.75 O2 = Ga+3 + 1.5 H2O + log_k 92.3567 + -delta_H -631.368 kJ/mol # Calculated enthalpy of reaction Ga # Enthalpy of formation: 0 kJ/mol - -analytic -1.3027e+002 -3.9539e-002 3.6027e+004 4.6280e+001 -8.5461e+004 + -analytic -1.3027e+2 -3.9539e-2 3.6027e+4 4.628e+1 -8.5461e+4 # -Range: 0-300 Galena - PbS +1.0000 H+ = + 1.0000 HS- + 1.0000 Pb++ - log_k -14.8544 - -delta_H 83.1361 kJ/mol # Calculated enthalpy of reaction Galena + PbS + H+ = HS- + Pb+2 + log_k -14.8544 + -delta_H 83.1361 kJ/mol # Calculated enthalpy of reaction Galena # Enthalpy of formation: -23.5 kcal/mol - -analytic -1.2124e+002 -4.3477e-002 -1.6463e+003 5.0454e+001 -2.5654e+001 + -analytic -1.2124e+2 -4.3477e-2 -1.6463e+3 5.0454e+1 -2.5654e+1 # -Range: 0-300 Gaylussite - CaNa2(CO3)2:5H2O +2.0000 H+ = + 1.0000 Ca++ + 2.0000 HCO3- + 2.0000 Na+ + 5.0000 H2O - log_k 11.1641 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gaylussite + CaNa2(CO3)2:5H2O + 2 H+ = Ca+2 + 2 HCO3- + 2 Na+ + 5 H2O + log_k 11.1641 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gaylussite # Enthalpy of formation: 0 kcal/mol Gd - Gd +3.0000 H+ +0.7500 O2 = + 1.0000 Gd+++ + 1.5000 H2O - log_k 180.7573 - -delta_H -1106.67 kJ/mol # Calculated enthalpy of reaction Gd + Gd + 3 H+ + 0.75 O2 = Gd+3 + 1.5 H2O + log_k 180.7573 + -delta_H -1106.67 kJ/mol # Calculated enthalpy of reaction Gd # Enthalpy of formation: 0 kJ/mol - -analytic -3.3949e+002 -6.5698e-002 7.4278e+004 1.2189e+002 -9.7055e+005 + -analytic -3.3949e+2 -6.5698e-2 7.4278e+4 1.2189e+2 -9.7055e+5 # -Range: 0-300 Gd(OH)3 - Gd(OH)3 +3.0000 H+ = + 1.0000 Gd+++ + 3.0000 H2O - log_k 15.5852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(OH)3 + Gd(OH)3 + 3 H+ = Gd+3 + 3 H2O + log_k 15.5852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(OH)3 # Enthalpy of formation: 0 kcal/mol Gd(OH)3(am) - Gd(OH)3 +3.0000 H+ = + 1.0000 Gd+++ + 3.0000 H2O - log_k 17.9852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(OH)3(am) + Gd(OH)3 + 3 H+ = Gd+3 + 3 H2O + log_k 17.9852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gd(OH)3(am) # Enthalpy of formation: 0 kcal/mol Gd2(CO3)3 - Gd2(CO3)3 +3.0000 H+ = + 2.0000 Gd+++ + 3.0000 HCO3- - log_k -3.7136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gd2(CO3)3 + Gd2(CO3)3 + 3 H+ = 2 Gd+3 + 3 HCO3- + log_k -3.7136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gd2(CO3)3 # Enthalpy of formation: 0 kcal/mol Gd2O3 - Gd2O3 +6.0000 H+ = + 2.0000 Gd+++ + 3.0000 H2O - log_k 53.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gd2O3 + Gd2O3 + 6 H+ = 2 Gd+3 + 3 H2O + log_k 53.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gd2O3 # Enthalpy of formation: 0 kcal/mol GdF3:.5H2O - GdF3:.5H2O = + 0.5000 H2O + 1.0000 Gd+++ + 3.0000 F- - log_k -16.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction GdF3:.5H2O + GdF3:.5H2O = 0.5 H2O + Gd+3 + 3 F- + log_k -16.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction GdF3:.5H2O # Enthalpy of formation: 0 kcal/mol GdPO4:10H2O - GdPO4:10H2O +1.0000 H+ = + 1.0000 Gd+++ + 1.0000 HPO4-- + 10.0000 H2O - log_k -11.9782 - -delta_H 0 # Not possible to calculate enthalpy of reaction GdPO4:10H2O + GdPO4:10H2O + H+ = Gd+3 + HPO4-2 + 10 H2O + log_k -11.9782 + -delta_H 0 # Not possible to calculate enthalpy of reaction GdPO4:10H2O # Enthalpy of formation: 0 kcal/mol Gehlenite - Ca2Al2SiO7 +10.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 2.0000 Ca++ + 5.0000 H2O - log_k 56.2997 - -delta_H -489.934 kJ/mol # Calculated enthalpy of reaction Gehlenite + Ca2Al2SiO7 + 10 H+ = SiO2 + 2 Al+3 + 2 Ca+2 + 5 H2O + log_k 56.2997 + -delta_H -489.934 kJ/mol # Calculated enthalpy of reaction Gehlenite # Enthalpy of formation: -951.225 kcal/mol - -analytic -2.1784e+002 -6.7200e-002 2.9779e+004 7.8488e+001 4.6473e+002 + -analytic -2.1784e+2 -6.72e-2 2.9779e+4 7.8488e+1 4.6473e+2 # -Range: 0-300 Gibbsite - Al(OH)3 +3.0000 H+ = + 1.0000 Al+++ + 3.0000 H2O - log_k 7.7560 - -delta_H -102.788 kJ/mol # Calculated enthalpy of reaction Gibbsite + Al(OH)3 + 3 H+ = Al+3 + 3 H2O + log_k 7.756 + -delta_H -102.788 kJ/mol # Calculated enthalpy of reaction Gibbsite # Enthalpy of formation: -309.065 kcal/mol - -analytic -1.1403e+002 -3.6453e-002 7.7236e+003 4.3134e+001 1.2055e+002 + -analytic -1.1403e+2 -3.6453e-2 7.7236e+3 4.3134e+1 1.2055e+2 # -Range: 0-300 Gismondine - Ca2Al4Si4O16:9H2O +16.0000 H+ = + 2.0000 Ca++ + 4.0000 Al+++ + 4.0000 SiO2 + 17.0000 H2O - log_k 41.7170 - -delta_H 0 # Not possible to calculate enthalpy of reaction Gismondine + Ca2Al4Si4O16:9H2O + 16 H+ = 2 Ca+2 + 4 Al+3 + 4 SiO2 + 17 H2O + log_k 41.717 + -delta_H 0 # Not possible to calculate enthalpy of reaction Gismondine # Enthalpy of formation: 0 kcal/mol Glauberite - Na2Ca(SO4)2 = + 1.0000 Ca++ + 2.0000 Na+ + 2.0000 SO4-- - log_k -5.4690 - -delta_H 0 # Not possible to calculate enthalpy of reaction Glauberite + Na2Ca(SO4)2 = Ca+2 + 2 Na+ + 2 SO4-2 + log_k -5.469 + -delta_H 0 # Not possible to calculate enthalpy of reaction Glauberite # Enthalpy of formation: 0 kcal/mol Goethite - FeOOH +3.0000 H+ = + 1.0000 Fe+++ + 2.0000 H2O - log_k 0.5345 - -delta_H -61.9291 kJ/mol # Calculated enthalpy of reaction Goethite + FeOOH + 3 H+ = Fe+3 + 2 H2O + log_k 0.5345 + -delta_H -61.9291 kJ/mol # Calculated enthalpy of reaction Goethite # Enthalpy of formation: -559.328 kJ/mol - -analytic -6.0331e+001 -1.0847e-002 4.7759e+003 1.9429e+001 8.1122e+001 + -analytic -6.0331e+1 -1.0847e-2 4.7759e+3 1.9429e+1 8.1122e+1 # -Range: 0-200 Greenalite - Fe3Si2O5(OH)4 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 Fe++ + 5.0000 H2O - log_k 22.6701 - -delta_H -165.297 kJ/mol # Calculated enthalpy of reaction Greenalite + Fe3Si2O5(OH)4 + 6 H+ = 2 SiO2 + 3 Fe+2 + 5 H2O + log_k 22.6701 + -delta_H -165.297 kJ/mol # Calculated enthalpy of reaction Greenalite # Enthalpy of formation: -787.778 kcal/mol - -analytic -1.4187e+001 -3.8377e-003 1.1710e+004 1.6442e+000 -4.8290e+005 + -analytic -1.4187e+1 -3.8377e-3 1.171e+4 1.6442e+0 -4.829e+5 # -Range: 0-300 Grossular - Ca3Al2(SiO4)3 +12.0000 H+ = + 2.0000 Al+++ + 3.0000 Ca++ + 3.0000 SiO2 + 6.0000 H2O - log_k 51.9228 - -delta_H -432.006 kJ/mol # Calculated enthalpy of reaction Grossular + Ca3Al2(SiO4)3 + 12 H+ = 2 Al+3 + 3 Ca+2 + 3 SiO2 + 6 H2O + log_k 51.9228 + -delta_H -432.006 kJ/mol # Calculated enthalpy of reaction Grossular # Enthalpy of formation: -1582.74 kcal/mol - -analytic 2.9389e+001 -2.2478e-002 2.0323e+004 -1.4624e+001 -2.5674e+005 + -analytic 2.9389e+1 -2.2478e-2 2.0323e+4 -1.4624e+1 -2.5674e+5 # -Range: 0-300 Gypsum - CaSO4:2H2O = + 1.0000 Ca++ + 1.0000 SO4-- + 2.0000 H2O - log_k -4.4823 - -delta_H -1.66746 kJ/mol # Calculated enthalpy of reaction Gypsum + CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O + log_k -4.4823 + -delta_H -1.66746 kJ/mol # Calculated enthalpy of reaction Gypsum # Enthalpy of formation: -2022.69 kJ/mol - -analytic -2.4417e+002 -8.3329e-002 5.5958e+003 9.9301e+001 8.7389e+001 + -analytic -2.4417e+2 -8.3329e-2 5.5958e+3 9.9301e+1 8.7389e+1 # -Range: 0-300 Gyrolite - Ca2Si3O7(OH)2:1.5H2O +4.0000 H+ = + 2.0000 Ca++ + 3.0000 SiO2 + 4.5000 H2O - log_k 22.9099 - -delta_H -82.862 kJ/mol # Calculated enthalpy of reaction Gyrolite + Ca2Si3O7(OH)2:1.5H2O + 4 H+ = 2 Ca+2 + 3 SiO2 + 4.5 H2O + log_k 22.9099 + -delta_H -82.862 kJ/mol # Calculated enthalpy of reaction Gyrolite # Enthalpy of formation: -1176.55 kcal/mol - -analytic -2.4416e+001 1.4646e-002 1.6181e+004 2.3723e+000 -1.5369e+006 + -analytic -2.4416e+1 1.4646e-2 1.6181e+4 2.3723e+0 -1.5369e+6 # -Range: 0-300 HTcO4 - HTcO4 = + 1.0000 H+ + 1.0000 TcO4- - log_k 5.9566 - -delta_H -12.324 kJ/mol # Calculated enthalpy of reaction HTcO4 + HTcO4 = H+ + TcO4- + log_k 5.9566 + -delta_H -12.324 kJ/mol # Calculated enthalpy of reaction HTcO4 # Enthalpy of formation: -703.945 kJ/mol - -analytic 3.0005e+001 7.6416e-003 -5.3546e+001 -1.0568e+001 -9.1953e-001 + -analytic 3.0005e+1 7.6416e-3 -5.3546e+1 -1.0568e+1 -9.1953e-1 # -Range: 0-200 Haiweeite - Ca(UO2)2(Si2O5)3:5H2O +6.0000 H+ = + 1.0000 Ca++ + 2.0000 UO2++ + 6.0000 SiO2 + 8.0000 H2O - log_k -7.0413 - -delta_H 0 # Not possible to calculate enthalpy of reaction Haiweeite + Ca(UO2)2(Si2O5)3:5H2O + 6 H+ = Ca+2 + 2 UO2+2 + 6 SiO2 + 8 H2O + log_k -7.0413 + -delta_H 0 # Not possible to calculate enthalpy of reaction Haiweeite # Enthalpy of formation: 0 kcal/mol Halite - NaCl = + 1.0000 Cl- + 1.0000 Na+ - log_k 1.5855 - -delta_H 3.7405 kJ/mol # Calculated enthalpy of reaction Halite + NaCl = Cl- + Na+ + log_k 1.5855 + -delta_H 3.7405 kJ/mol # Calculated enthalpy of reaction Halite # Enthalpy of formation: -98.26 kcal/mol - -analytic -1.0163e+002 -3.4761e-002 2.2796e+003 4.2802e+001 3.5602e+001 + -analytic -1.0163e+2 -3.4761e-2 2.2796e+3 4.2802e+1 3.5602e+1 # -Range: 0-300 Hatrurite - Ca3SiO5 +6.0000 H+ = + 1.0000 SiO2 + 3.0000 Ca++ + 3.0000 H2O - log_k 73.4056 - -delta_H -434.684 kJ/mol # Calculated enthalpy of reaction Hatrurite + Ca3SiO5 + 6 H+ = SiO2 + 3 Ca+2 + 3 H2O + log_k 73.4056 + -delta_H -434.684 kJ/mol # Calculated enthalpy of reaction Hatrurite # Enthalpy of formation: -700.234 kcal/mol - -analytic -4.5448e+001 -1.9998e-002 2.3800e+004 1.8494e+001 -7.3385e+004 + -analytic -4.5448e+1 -1.9998e-2 2.38e+4 1.8494e+1 -7.3385e+4 # -Range: 0-300 Hausmannite - Mn3O4 +8.0000 H+ = + 1.0000 Mn++ + 2.0000 Mn+++ + 4.0000 H2O - log_k 10.1598 - -delta_H -268.121 kJ/mol # Calculated enthalpy of reaction Hausmannite + Mn3O4 + 8 H+ = Mn+2 + 2 Mn+3 + 4 H2O + log_k 10.1598 + -delta_H -268.121 kJ/mol # Calculated enthalpy of reaction Hausmannite # Enthalpy of formation: -1387.83 kJ/mol - -analytic -2.0600e+002 -2.2214e-002 2.0160e+004 6.2700e+001 3.1464e+002 + -analytic -2.06e+2 -2.2214e-2 2.016e+4 6.27e+1 3.1464e+2 # -Range: 0-300 Heazlewoodite - Ni3S2 +4.0000 H+ +0.5000 O2 = + 1.0000 H2O + 2.0000 HS- + 3.0000 Ni++ - log_k 28.2477 - -delta_H -270.897 kJ/mol # Calculated enthalpy of reaction Heazlewoodite + Ni3S2 + 4 H+ + 0.5 O2 = H2O + 2 HS- + 3 Ni+2 + log_k 28.2477 + -delta_H -270.897 kJ/mol # Calculated enthalpy of reaction Heazlewoodite # Enthalpy of formation: -203.012 kJ/mol - -analytic -3.5439e+002 -1.1740e-001 2.1811e+004 1.3919e+002 3.4044e+002 + -analytic -3.5439e+2 -1.174e-1 2.1811e+4 1.3919e+2 3.4044e+2 # -Range: 0-300 Hedenbergite - CaFe(SiO3)2 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 Fe++ + 2.0000 H2O + 2.0000 SiO2 - log_k 19.6060 - -delta_H -124.507 kJ/mol # Calculated enthalpy of reaction Hedenbergite + CaFe(SiO3)2 + 4 H+ = Ca+2 + Fe+2 + 2 H2O + 2 SiO2 + log_k 19.606 + -delta_H -124.507 kJ/mol # Calculated enthalpy of reaction Hedenbergite # Enthalpy of formation: -678.276 kcal/mol - -analytic -1.9473e+001 1.5288e-003 1.2910e+004 2.1729e+000 -9.0058e+005 + -analytic -1.9473e+1 1.5288e-3 1.291e+4 2.1729e+0 -9.0058e+5 # -Range: 0-300 Hematite - Fe2O3 +6.0000 H+ = + 2.0000 Fe+++ + 3.0000 H2O - log_k 0.1086 - -delta_H -129.415 kJ/mol # Calculated enthalpy of reaction Hematite + Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O + log_k 0.1086 + -delta_H -129.415 kJ/mol # Calculated enthalpy of reaction Hematite # Enthalpy of formation: -197.72 kcal/mol - -analytic -2.2015e+002 -6.0290e-002 1.1812e+004 8.0253e+001 1.8438e+002 + -analytic -2.2015e+2 -6.029e-2 1.1812e+4 8.0253e+1 1.8438e+2 # -Range: 0-300 Hercynite - FeAl2O4 +8.0000 H+ = + 1.0000 Fe++ + 2.0000 Al+++ + 4.0000 H2O - log_k 28.8484 - -delta_H -345.961 kJ/mol # Calculated enthalpy of reaction Hercynite + FeAl2O4 + 8 H+ = Fe+2 + 2 Al+3 + 4 H2O + log_k 28.8484 + -delta_H -345.961 kJ/mol # Calculated enthalpy of reaction Hercynite # Enthalpy of formation: -1966.45 kJ/mol - -analytic -3.1848e+002 -7.9501e-002 2.5892e+004 1.1483e+002 4.0412e+002 + -analytic -3.1848e+2 -7.9501e-2 2.5892e+4 1.1483e+2 4.0412e+2 # -Range: 0-300 Herzenbergite - SnS +1.0000 H+ = + 1.0000 HS- + 1.0000 Sn++ - log_k -15.5786 - -delta_H 81.6466 kJ/mol # Calculated enthalpy of reaction Herzenbergite + SnS + H+ = HS- + Sn+2 + log_k -15.5786 + -delta_H 81.6466 kJ/mol # Calculated enthalpy of reaction Herzenbergite # Enthalpy of formation: -25.464 kcal/mol - -analytic -1.3576e+002 -4.6594e-002 -1.1572e+003 5.5740e+001 -1.8018e+001 + -analytic -1.3576e+2 -4.6594e-2 -1.1572e+3 5.574e+1 -1.8018e+1 # -Range: 0-300 Heulandite # Ba.065Sr.175Ca.585K.132Na.383Al2.165Si6.835O18:6 +8.6600 H+ = + 0.0650 Ba++ + 0.1320 K+ + 0.1750 Sr++ + 0.3830 Na+ + 0.5850 Ca++ + 2.1650 Al+++ + 6.8350 SiO2 + 10.3300 H2O - Ba.065Sr.175Ca.585K.132Na.383Al2.165Si6.835O18:6H2O +8.6600 H+ = + 0.0650 Ba++ + 0.1320 K+ + 0.1750 Sr++ + 0.3830 Na+ + 0.5850 Ca++ + 2.1650 Al+++ + 6.8350 SiO2 + 10.3300 H2O - log_k 3.3506 - -delta_H -97.2942 kJ/mol # Calculated enthalpy of reaction Heulandite + Ba.065Sr.175Ca.585K.132Na.383Al2.165Si6.835O18:6H2O + 8.66 H+ = 0.065 Ba+2 + 0.132 K+ + 0.175 Sr+2 + 0.383 Na+ + 0.585 Ca+2 + 2.165 Al+3 + 6.835 SiO2 + 10.33 H2O + log_k 3.3506 + -delta_H -97.2942 kJ/mol # Calculated enthalpy of reaction Heulandite # Enthalpy of formation: -10594.5 kJ/mol - -analytic -1.8364e+001 2.7879e-002 2.8426e+004 -1.7427e+001 -3.4723e+006 + -analytic -1.8364e+1 2.7879e-2 2.8426e+4 -1.7427e+1 -3.4723e+6 # -Range: 0-300 Hexahydrite - MgSO4:6H2O = + 1.0000 Mg++ + 1.0000 SO4-- + 6.0000 H2O - log_k -1.7268 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hexahydrite + MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O + log_k -1.7268 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hexahydrite # Enthalpy of formation: 0 kcal/mol Hf(s) - Hf +4.0000 H+ +1.0000 O2 = + 1.0000 Hf++++ + 2.0000 H2O - log_k 189.9795 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hf + Hf + 4 H+ + O2 = Hf+4 + 2 H2O + log_k 189.9795 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hf # Enthalpy of formation: -0.003 kJ/mol HfB2 - HfB2 +2.7500 H+ +2.2500 H2O = + 0.7500 B(OH)3 + 1.0000 Hf++++ + 1.2500 BH4- - log_k 55.7691 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfB2 + HfB2 + 2.75 H+ + 2.25 H2O = 0.75 B(OH)3 + Hf+4 + 1.25 BH4- + log_k 55.7691 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfB2 # Enthalpy of formation: -78.6 kJ/mol HfBr2 - HfBr2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 Br- - log_k 114.9446 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfBr2 + HfBr2 + 2 H+ + 0.5 O2 = H2O + Hf+4 + 2 Br- + log_k 114.9446 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfBr2 # Enthalpy of formation: -98 kJ/mol HfBr4 - HfBr4 = + 1.0000 Hf++++ + 4.0000 Br- - log_k 48.2921 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfBr4 + HfBr4 = Hf+4 + 4 Br- + log_k 48.2921 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfBr4 # Enthalpy of formation: -183.1 kJ/mol HfC - HfC +3.0000 H+ +2.0000 O2 = + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Hf++++ - log_k 215.0827 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfC + HfC + 3 H+ + 2 O2 = H2O + HCO3- + Hf+4 + log_k 215.0827 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfC # Enthalpy of formation: -54 kJ/mol HfCl2 - HfCl2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 Cl- - log_k 109.1624 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfCl2 + HfCl2 + 2 H+ + 0.5 O2 = H2O + Hf+4 + 2 Cl- + log_k 109.1624 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfCl2 # Enthalpy of formation: -125 kJ/mol HfCl4 - HfCl4 = + 1.0000 Hf++++ + 4.0000 Cl- - log_k 38.0919 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfCl4 + HfCl4 = Hf+4 + 4 Cl- + log_k 38.0919 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfCl4 # Enthalpy of formation: -236.7 kJ/mol HfF2 - HfF2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 F- - log_k 81.7647 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfF2 + HfF2 + 2 H+ + 0.5 O2 = H2O + Hf+4 + 2 F- + log_k 81.7647 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfF2 # Enthalpy of formation: -235 kJ/mol HfF4 - HfF4 = + 1.0000 Hf++++ + 4.0000 F- - log_k -19.2307 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfF4 + HfF4 = Hf+4 + 4 F- + log_k -19.2307 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfF4 # Enthalpy of formation: -461.4 kJ/mol HfI2 - HfI2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hf++++ + 2.0000 I- - log_k 117.4971 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfI2 + HfI2 + 2 H+ + 0.5 O2 = H2O + Hf+4 + 2 I- + log_k 117.4971 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfI2 # Enthalpy of formation: -65 kJ/mol HfI4 - HfI4 = + 1.0000 Hf++++ + 4.0000 I- - log_k 54.1798 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfI4 + HfI4 = Hf+4 + 4 I- + log_k 54.1798 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfI4 # Enthalpy of formation: -118 kJ/mol HfN - HfN +4.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Hf++++ + 1.0000 NH3 - log_k 69.4646 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfN + HfN + 4 H+ + 0.25 O2 = 0.5 H2O + Hf+4 + NH3 + log_k 69.4646 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfN # Enthalpy of formation: -89.3 kJ/mol HfO2 - HfO2 +4.0000 H+ = + 1.0000 Hf++++ + 2.0000 H2O - log_k 1.1829 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfO2 + HfO2 + 4 H+ = Hf+4 + 2 H2O + log_k 1.1829 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfO2 # Enthalpy of formation: -267.1 kJ/mol HfS2 - HfS2 +2.0000 H+ = + 1.0000 Hf++++ + 2.0000 HS- - log_k -1.5845 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfS2 + HfS2 + 2 H+ = Hf+4 + 2 HS- + log_k -1.5845 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfS2 # Enthalpy of formation: -140 kJ/mol HfS3 - HfS3 +1.0000 H+ = + 1.0000 HS- + 1.0000 Hf++++ + 1.0000 S2-- - log_k -18.9936 - -delta_H 0 # Not possible to calculate enthalpy of reaction HfS3 + HfS3 + H+ = HS- + Hf+4 + S2-2 + log_k -18.9936 + -delta_H 0 # Not possible to calculate enthalpy of reaction HfS3 # Enthalpy of formation: -149 kJ/mol Hg2SO4 - Hg2SO4 = + 1.0000 Hg2++ + 1.0000 SO4-- - log_k -6.1170 - -delta_H 0.30448 kJ/mol # Calculated enthalpy of reaction Hg2SO4 + Hg2SO4 = Hg2+2 + SO4-2 + log_k -6.117 + -delta_H 0.30448 kJ/mol # Calculated enthalpy of reaction Hg2SO4 # Enthalpy of formation: -743.09 kJ/mol - -analytic -3.2342e+001 -1.9881e-002 1.6292e+003 1.0781e+001 2.7677e+001 + -analytic -3.2342e+1 -1.9881e-2 1.6292e+3 1.0781e+1 2.7677e+1 # -Range: 0-200 Hg2SeO3 - Hg2SeO3 = + 1.0000 Hg2++ + 1.0000 SeO3-- - log_k -14.2132 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hg2SeO3 + Hg2SeO3 = Hg2+2 + SeO3-2 + log_k -14.2132 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hg2SeO3 # Enthalpy of formation: 0 kcal/mol HgSeO3 - HgSeO3 = + 1.0000 Hg++ + 1.0000 SeO3-- - log_k -13.8957 - -delta_H 0 # Not possible to calculate enthalpy of reaction HgSeO3 + HgSeO3 = Hg+2 + SeO3-2 + log_k -13.8957 + -delta_H 0 # Not possible to calculate enthalpy of reaction HgSeO3 # Enthalpy of formation: 0 kcal/mol Hillebrandite - Ca2SiO3(OH)2:0.17H2O +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Ca++ + 3.1700 H2O - log_k 36.8190 - -delta_H -203.074 kJ/mol # Calculated enthalpy of reaction Hillebrandite + Ca2SiO3(OH)2:0.17H2O + 4 H+ = SiO2 + 2 Ca+2 + 3.17 H2O + log_k 36.819 + -delta_H -203.074 kJ/mol # Calculated enthalpy of reaction Hillebrandite # Enthalpy of formation: -637.404 kcal/mol - -analytic -1.9360e+001 -7.5176e-003 1.1947e+004 8.0558e+000 -1.4504e+005 + -analytic -1.936e+1 -7.5176e-3 1.1947e+4 8.0558e+0 -1.4504e+5 # -Range: 0-300 Hinsdalite - Al3PPbSO8(OH)6 +7.0000 H+ = + 1.0000 HPO4-- + 1.0000 Pb++ + 1.0000 SO4-- + 3.0000 Al+++ + 6.0000 H2O - log_k 9.8218 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hinsdalite + Al3PPbSO8(OH)6 + 7 H+ = HPO4-2 + Pb+2 + SO4-2 + 3 Al+3 + 6 H2O + log_k 9.8218 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hinsdalite # Enthalpy of formation: 0 kcal/mol Ho - Ho +3.0000 H+ +0.7500 O2 = + 1.0000 Ho+++ + 1.5000 H2O - log_k 182.8097 - -delta_H -1126.75 kJ/mol # Calculated enthalpy of reaction Ho + Ho + 3 H+ + 0.75 O2 = Ho+3 + 1.5 H2O + log_k 182.8097 + -delta_H -1126.75 kJ/mol # Calculated enthalpy of reaction Ho # Enthalpy of formation: 0 kJ/mol - -analytic -6.5903e+001 -2.8190e-002 5.9370e+004 2.3421e+001 9.2643e+002 + -analytic -6.5903e+1 -2.819e-2 5.937e+4 2.3421e+1 9.2643e+2 # -Range: 0-300 Ho(OH)3 - Ho(OH)3 +3.0000 H+ = + 1.0000 Ho+++ + 3.0000 H2O - log_k 15.3852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(OH)3 + Ho(OH)3 + 3 H+ = Ho+3 + 3 H2O + log_k 15.3852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(OH)3 # Enthalpy of formation: 0 kcal/mol Ho(OH)3(am) - Ho(OH)3 +3.0000 H+ = + 1.0000 Ho+++ + 3.0000 H2O - log_k 17.7852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(OH)3(am) + Ho(OH)3 + 3 H+ = Ho+3 + 3 H2O + log_k 17.7852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ho(OH)3(am) # Enthalpy of formation: 0 kcal/mol Ho2(CO3)3 - Ho2(CO3)3 +3.0000 H+ = + 2.0000 Ho+++ + 3.0000 HCO3- - log_k -2.8136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ho2(CO3)3 + Ho2(CO3)3 + 3 H+ = 2 Ho+3 + 3 HCO3- + log_k -2.8136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ho2(CO3)3 # Enthalpy of formation: 0 kcal/mol Ho2O3 - Ho2O3 +6.0000 H+ = + 2.0000 Ho+++ + 3.0000 H2O - log_k 47.3000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ho2O3 + Ho2O3 + 6 H+ = 2 Ho+3 + 3 H2O + log_k 47.3 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ho2O3 # Enthalpy of formation: 0 kcal/mol HoF3:.5H2O - HoF3:.5H2O = + 0.5000 H2O + 1.0000 Ho+++ + 3.0000 F- - log_k -16.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction HoF3:.5H2O + HoF3:.5H2O = 0.5 H2O + Ho+3 + 3 F- + log_k -16.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction HoF3:.5H2O # Enthalpy of formation: 0 kcal/mol HoPO4:10H2O - HoPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Ho+++ + 10.0000 H2O - log_k -11.8782 - -delta_H 0 # Not possible to calculate enthalpy of reaction HoPO4:10H2O + HoPO4:10H2O + H+ = HPO4-2 + Ho+3 + 10 H2O + log_k -11.8782 + -delta_H 0 # Not possible to calculate enthalpy of reaction HoPO4:10H2O # Enthalpy of formation: 0 kcal/mol Hopeite - Zn3(PO4)2:4H2O +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Zn++ + 4.0000 H2O - log_k -10.6563 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hopeite + Zn3(PO4)2:4H2O + 2 H+ = 2 HPO4-2 + 3 Zn+2 + 4 H2O + log_k -10.6563 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hopeite # Enthalpy of formation: 0 kcal/mol Huntite - CaMg3(CO3)4 +4.0000 H+ = + 1.0000 Ca++ + 3.0000 Mg++ + 4.0000 HCO3- - log_k 10.3010 - -delta_H -171.096 kJ/mol # Calculated enthalpy of reaction Huntite + CaMg3(CO3)4 + 4 H+ = Ca+2 + 3 Mg+2 + 4 HCO3- + log_k 10.301 + -delta_H -171.096 kJ/mol # Calculated enthalpy of reaction Huntite # Enthalpy of formation: -1082.6 kcal/mol - -analytic -6.5000e+002 -1.9671e-001 2.4815e+004 2.5688e+002 3.8740e+002 + -analytic -6.5e+2 -1.9671e-1 2.4815e+4 2.5688e+2 3.874e+2 # -Range: 0-300 Hydroboracite - MgCaB6O11:6H2O +4.0000 H+ +1.0000 H2O = + 1.0000 Ca++ + 1.0000 Mg++ + 6.0000 B(OH)3 - log_k 20.3631 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hydroboracite + MgCaB6O11:6H2O + 4 H+ + H2O = Ca+2 + Mg+2 + 6 B(OH)3 + log_k 20.3631 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hydroboracite # Enthalpy of formation: 0 kcal/mol Hydrocerussite - Pb3(CO3)2(OH)2 +4.0000 H+ = + 2.0000 H2O + 2.0000 HCO3- + 3.0000 Pb++ - log_k 1.8477 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hydrocerussite + Pb3(CO3)2(OH)2 + 4 H+ = 2 H2O + 2 HCO3- + 3 Pb+2 + log_k 1.8477 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hydrocerussite # Enthalpy of formation: 0 kcal/mol Hydromagnesite - Mg5(CO3)4(OH)2:4H2O +6.0000 H+ = + 4.0000 HCO3- + 5.0000 Mg++ + 6.0000 H2O - log_k 30.8539 - -delta_H -289.696 kJ/mol # Calculated enthalpy of reaction Hydromagnesite + Mg5(CO3)4(OH)2:4H2O + 6 H+ = 4 HCO3- + 5 Mg+2 + 6 H2O + log_k 30.8539 + -delta_H -289.696 kJ/mol # Calculated enthalpy of reaction Hydromagnesite # Enthalpy of formation: -1557.09 kcal/mol - -analytic -7.9288e+002 -2.1448e-001 3.6749e+004 3.0888e+002 5.7367e+002 + -analytic -7.9288e+2 -2.1448e-1 3.6749e+4 3.0888e+2 5.7367e+2 # -Range: 0-300 Hydrophilite - CaCl2 = + 1.0000 Ca++ + 2.0000 Cl- - log_k 11.7916 - -delta_H -81.4545 kJ/mol # Calculated enthalpy of reaction Hydrophilite + CaCl2 = Ca+2 + 2 Cl- + log_k 11.7916 + -delta_H -81.4545 kJ/mol # Calculated enthalpy of reaction Hydrophilite # Enthalpy of formation: -795.788 kJ/mol - -analytic -2.2278e+002 -8.1414e-002 9.0298e+003 9.2349e+001 1.4097e+002 + -analytic -2.2278e+2 -8.1414e-2 9.0298e+3 9.2349e+1 1.4097e+2 # -Range: 0-300 Hydroxylapatite - Ca5(OH)(PO4)3 +4.0000 H+ = + 1.0000 H2O + 3.0000 HPO4-- + 5.0000 Ca++ - log_k -3.0746 - -delta_H -191.982 kJ/mol # Calculated enthalpy of reaction Hydroxylapatite + Ca5(OH)(PO4)3 + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2 + log_k -3.0746 + -delta_H -191.982 kJ/mol # Calculated enthalpy of reaction Hydroxylapatite # Enthalpy of formation: -6685.52 kJ/mol - -analytic -8.5221e+002 -2.9430e-001 2.8125e+004 3.4044e+002 4.3911e+002 + -analytic -8.5221e+2 -2.943e-1 2.8125e+4 3.4044e+2 4.3911e+2 # -Range: 0-300 Hydrozincite - Zn5(OH)6(CO3)2 +8.0000 H+ = + 2.0000 HCO3- + 5.0000 Zn++ + 6.0000 H2O - log_k 30.3076 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hydrozincite + Zn5(OH)6(CO3)2 + 8 H+ = 2 HCO3- + 5 Zn+2 + 6 H2O + log_k 30.3076 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hydrozincite # Enthalpy of formation: 0 kcal/mol I2 - I2 +1.0000 H2O = + 0.5000 O2 + 2.0000 H+ + 2.0000 I- - log_k -24.8084 - -delta_H 165.967 kJ/mol # Calculated enthalpy of reaction I2 + I2 + H2O = 0.5 O2 + 2 H+ + 2 I- + log_k -24.8084 + -delta_H 165.967 kJ/mol # Calculated enthalpy of reaction I2 # Enthalpy of formation: 0 kJ/mol - -analytic -1.7135e+002 -6.2810e-002 -4.7225e+003 7.3181e+001 -7.3640e+001 + -analytic -1.7135e+2 -6.281e-2 -4.7225e+3 7.3181e+1 -7.364e+1 # -Range: 0-300 Ice - H2O = + 1.0000 H2O - log_k 0.1387 - -delta_H 6.74879 kJ/mol # Calculated enthalpy of reaction Ice + H2O = H2O + log_k 0.1387 + -delta_H 6.74879 kJ/mol # Calculated enthalpy of reaction Ice # Enthalpy of formation: -69.93 kcal/mol - -analytic -2.3260e+001 4.7948e-004 7.7351e+002 8.3499e+000 1.3143e+001 + -analytic -2.326e+1 4.7948e-4 7.7351e+2 8.3499e+0 1.3143e+1 # -Range: 0-200 Illite - K0.6Mg0.25Al1.8Al0.5Si3.5O10(OH)2 +8.0000 H+ = + 0.2500 Mg++ + 0.6000 K+ + 2.3000 Al+++ + 3.5000 SiO2 + 5.0000 H2O - log_k 9.0260 - -delta_H -171.764 kJ/mol # Calculated enthalpy of reaction Illite + K0.6Mg0.25Al1.8Al0.5Si3.5O10(OH)2 + 8 H+ = 0.25 Mg+2 + 0.6 K+ + 2.3 Al+3 + 3.5 SiO2 + 5 H2O + log_k 9.026 + -delta_H -171.764 kJ/mol # Calculated enthalpy of reaction Illite # Enthalpy of formation: -1394.71 kcal/mol - -analytic 2.6069e+001 -1.2553e-003 1.3670e+004 -2.0232e+001 -1.1204e+006 + -analytic 2.6069e+1 -1.2553e-3 1.367e+4 -2.0232e+1 -1.1204e+6 # -Range: 0-300 Ilmenite - FeTiO3 +2.0000 H+ +1.0000 H2O = + 1.0000 Fe++ + 1.0000 Ti(OH)4 - log_k 0.9046 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ilmenite + FeTiO3 + 2 H+ + H2O = Fe+2 + Ti(OH)4 + log_k 0.9046 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ilmenite # Enthalpy of formation: -1236.65 kJ/mol In - In +3.0000 H+ +0.7500 O2 = + 1.0000 In+++ + 1.5000 H2O - log_k 81.6548 - -delta_H -524.257 kJ/mol # Calculated enthalpy of reaction In + In + 3 H+ + 0.75 O2 = In+3 + 1.5 H2O + log_k 81.6548 + -delta_H -524.257 kJ/mol # Calculated enthalpy of reaction In # Enthalpy of formation: 0 kJ/mol - -analytic -1.1773e+002 -3.7657e-002 3.1802e+004 4.2438e+001 -9.6348e+004 + -analytic -1.1773e+2 -3.7657e-2 3.1802e+4 4.2438e+1 -9.6348e+4 # -Range: 0-300 Jadeite - NaAl(SiO3)2 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 2.0000 H2O + 2.0000 SiO2 - log_k 8.3888 - -delta_H -84.4415 kJ/mol # Calculated enthalpy of reaction Jadeite + NaAl(SiO3)2 + 4 H+ = Al+3 + Na+ + 2 H2O + 2 SiO2 + log_k 8.3888 + -delta_H -84.4415 kJ/mol # Calculated enthalpy of reaction Jadeite # Enthalpy of formation: -722.116 kcal/mol - -analytic 1.5934e+000 5.0757e-003 9.5602e+003 -7.0164e+000 -8.4454e+005 + -analytic 1.5934e+0 5.0757e-3 9.5602e+3 -7.0164e+0 -8.4454e+5 # -Range: 0-300 Jarosite - KFe3(SO4)2(OH)6 +6.0000 H+ = + 1.0000 K+ + 2.0000 SO4-- + 3.0000 Fe+++ + 6.0000 H2O - log_k -9.3706 - -delta_H -191.343 kJ/mol # Calculated enthalpy of reaction Jarosite + KFe3(SO4)2(OH)6 + 6 H+ = K+ + 2 SO4-2 + 3 Fe+3 + 6 H2O + log_k -9.3706 + -delta_H -191.343 kJ/mol # Calculated enthalpy of reaction Jarosite # Enthalpy of formation: -894.79 kcal/mol - -analytic -1.0813e+002 -5.0381e-002 9.6893e+003 3.2832e+001 1.6457e+002 + -analytic -1.0813e+2 -5.0381e-2 9.6893e+3 3.2832e+1 1.6457e+2 # -Range: 0-200 Jarosite-Na - NaFe3(SO4)2(OH)6 +6.0000 H+ = + 1.0000 Na+ + 2.0000 SO4-- + 3.0000 Fe+++ + 6.0000 H2O - log_k -5.4482 - -delta_H 0 # Not possible to calculate enthalpy of reaction Jarosite-Na + NaFe3(SO4)2(OH)6 + 6 H+ = Na+ + 2 SO4-2 + 3 Fe+3 + 6 H2O + log_k -5.4482 + -delta_H 0 # Not possible to calculate enthalpy of reaction Jarosite-Na # Enthalpy of formation: 0 kcal/mol K - K +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 K+ - log_k 70.9861 - -delta_H -392.055 kJ/mol # Calculated enthalpy of reaction K + K + H+ + 0.25 O2 = 0.5 H2O + K+ + log_k 70.9861 + -delta_H -392.055 kJ/mol # Calculated enthalpy of reaction K # Enthalpy of formation: 0 kJ/mol - -analytic -3.1102e+001 -1.0003e-002 2.1338e+004 1.3534e+001 3.3296e+002 + -analytic -3.1102e+1 -1.0003e-2 2.1338e+4 1.3534e+1 3.3296e+2 # -Range: 0-300 K-Feldspar - KAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 SiO2 - log_k -0.2753 - -delta_H -23.9408 kJ/mol # Calculated enthalpy of reaction K-Feldspar + KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2 + log_k -0.2753 + -delta_H -23.9408 kJ/mol # Calculated enthalpy of reaction K-Feldspar # Enthalpy of formation: -949.188 kcal/mol - -analytic -1.0684e+000 1.3111e-002 1.1671e+004 -9.9129e+000 -1.5855e+006 + -analytic -1.0684e+0 1.3111e-2 1.1671e+4 -9.9129e+0 -1.5855e+6 # -Range: 0-300 K2CO3:1.5H2O - K2CO3:1.5H2O +1.0000 H+ = + 1.0000 HCO3- + 1.5000 H2O + 2.0000 K+ - log_k 13.3785 - -delta_H 0 # Not possible to calculate enthalpy of reaction K2CO3:1.5H2O + K2CO3:1.5H2O + H+ = HCO3- + 1.5 H2O + 2 K+ + log_k 13.3785 + -delta_H 0 # Not possible to calculate enthalpy of reaction K2CO3:1.5H2O # Enthalpy of formation: 0 kcal/mol K2O - K2O +2.0000 H+ = + 1.0000 H2O + 2.0000 K+ - log_k 84.0405 - -delta_H -427.006 kJ/mol # Calculated enthalpy of reaction K2O + K2O + 2 H+ = H2O + 2 K+ + log_k 84.0405 + -delta_H -427.006 kJ/mol # Calculated enthalpy of reaction K2O # Enthalpy of formation: -86.8 kcal/mol - -analytic -1.8283e+001 -5.2255e-003 2.3184e+004 1.0553e+001 3.6177e+002 + -analytic -1.8283e+1 -5.2255e-3 2.3184e+4 1.0553e+1 3.6177e+2 # -Range: 0-300 K2Se - K2Se = + 1.0000 Se-- + 2.0000 K+ - log_k 11.2925 - -delta_H 0 # Not possible to calculate enthalpy of reaction K2Se + K2Se = Se-2 + 2 K+ + log_k 11.2925 + -delta_H 0 # Not possible to calculate enthalpy of reaction K2Se # Enthalpy of formation: -92 kcal/mol - -analytic 1.8182e+001 7.8828e-003 2.6345e+003 -7.3075e+000 4.4732e+001 + -analytic 1.8182e+1 7.8828e-3 2.6345e+3 -7.3075e+0 4.4732e+1 # -Range: 0-200 K2UO4 - K2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 K+ - log_k 33.8714 - -delta_H -174.316 kJ/mol # Calculated enthalpy of reaction K2UO4 + K2UO4 + 4 H+ = UO2+2 + 2 H2O + 2 K+ + log_k 33.8714 + -delta_H -174.316 kJ/mol # Calculated enthalpy of reaction K2UO4 # Enthalpy of formation: -1920.7 kJ/mol - -analytic -7.0905e+001 -2.5680e-003 1.2244e+004 2.6056e+001 2.0794e+002 + -analytic -7.0905e+1 -2.568e-3 1.2244e+4 2.6056e+1 2.0794e+2 # -Range: 0-200 K3H(SO4)2 - K3H(SO4)2 = + 1.0000 H+ + 2.0000 SO4-- + 3.0000 K+ - log_k -3.6233 - -delta_H 0 # Not possible to calculate enthalpy of reaction K3H(SO4)2 + K3H(SO4)2 = H+ + 2 SO4-2 + 3 K+ + log_k -3.6233 + -delta_H 0 # Not possible to calculate enthalpy of reaction K3H(SO4)2 # Enthalpy of formation: 0 kcal/mol K8H4(CO3)6:3H2O - K8H4(CO3)6:3H2O +2.0000 H+ = + 3.0000 H2O + 6.0000 HCO3- + 8.0000 K+ - log_k 27.7099 - -delta_H 0 # Not possible to calculate enthalpy of reaction K8H4(CO3)6:3H2O + K8H4(CO3)6:3H2O + 2 H+ = 3 H2O + 6 HCO3- + 8 K+ + log_k 27.7099 + -delta_H 0 # Not possible to calculate enthalpy of reaction K8H4(CO3)6:3H2O # Enthalpy of formation: 0 kcal/mol KAl(SO4)2 - KAl(SO4)2 = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 SO4-- - log_k 3.3647 - -delta_H -139.485 kJ/mol # Calculated enthalpy of reaction KAl(SO4)2 + KAl(SO4)2 = Al+3 + K+ + 2 SO4-2 + log_k 3.3647 + -delta_H -139.485 kJ/mol # Calculated enthalpy of reaction KAl(SO4)2 # Enthalpy of formation: -2470.29 kJ/mol - -analytic -4.2785e+002 -1.6303e-001 1.5311e+004 1.7312e+002 2.3904e+002 + -analytic -4.2785e+2 -1.6303e-1 1.5311e+4 1.7312e+2 2.3904e+2 # -Range: 0-300 KBr - KBr = + 1.0000 Br- + 1.0000 K+ - log_k 1.0691 - -delta_H 20.125 kJ/mol # Calculated enthalpy of reaction KBr + KBr = Br- + K+ + log_k 1.0691 + -delta_H 20.125 kJ/mol # Calculated enthalpy of reaction KBr # Enthalpy of formation: -393.798 kJ/mol - -analytic -7.3164e+001 -3.1240e-002 4.8140e+002 3.3104e+001 7.5336e+000 + -analytic -7.3164e+1 -3.124e-2 4.814e+2 3.3104e+1 7.5336e+0 # -Range: 0-300 KMgCl3 - KMgCl3 = + 1.0000 K+ + 1.0000 Mg++ + 3.0000 Cl- - log_k 21.2618 - -delta_H -132.768 kJ/mol # Calculated enthalpy of reaction KMgCl3 + KMgCl3 = K+ + Mg+2 + 3 Cl- + log_k 21.2618 + -delta_H -132.768 kJ/mol # Calculated enthalpy of reaction KMgCl3 # Enthalpy of formation: -1086.6 kJ/mol - -analytic -8.4641e+000 -3.2688e-002 5.1496e+003 8.9652e+000 8.7450e+001 + -analytic -8.4641e+0 -3.2688e-2 5.1496e+3 8.9652e+0 8.745e+1 # -Range: 0-200 KMgCl3:2H2O - KMgCl3:2H2O = + 1.0000 K+ + 1.0000 Mg++ + 2.0000 H2O + 3.0000 Cl- - log_k 13.9755 - -delta_H -76.8449 kJ/mol # Calculated enthalpy of reaction KMgCl3:2H2O + KMgCl3:2H2O = K+ + Mg+2 + 2 H2O + 3 Cl- + log_k 13.9755 + -delta_H -76.8449 kJ/mol # Calculated enthalpy of reaction KMgCl3:2H2O # Enthalpy of formation: -1714.2 kJ/mol - -analytic -5.9982e+001 -3.3015e-002 4.6174e+003 2.7602e+001 7.8431e+001 + -analytic -5.9982e+1 -3.3015e-2 4.6174e+3 2.7602e+1 7.8431e+1 # -Range: 0-200 KNaCO3:6H2O - KNaCO3:6H2O +1.0000 H+ = + 1.0000 HCO3- + 1.0000 K+ + 1.0000 Na+ + 6.0000 H2O - log_k 10.2593 - -delta_H 0 # Not possible to calculate enthalpy of reaction KNaCO3:6H2O + KNaCO3:6H2O + H+ = HCO3- + K+ + Na+ + 6 H2O + log_k 10.2593 + -delta_H 0 # Not possible to calculate enthalpy of reaction KNaCO3:6H2O # Enthalpy of formation: 0 kcal/mol KTcO4 - KTcO4 = + 1.0000 K+ + 1.0000 TcO4- - log_k -2.2667 - -delta_H 53.2363 kJ/mol # Calculated enthalpy of reaction KTcO4 + KTcO4 = K+ + TcO4- + log_k -2.2667 + -delta_H 53.2363 kJ/mol # Calculated enthalpy of reaction KTcO4 # Enthalpy of formation: -1021.67 kJ/mol - -analytic 1.8058e+001 -8.4795e-004 -2.3985e+003 -4.1788e+000 -1.5029e+005 + -analytic 1.8058e+1 -8.4795e-4 -2.3985e+3 -4.1788e+0 -1.5029e+5 # -Range: 0-300 KUO2AsO4 - KUO2AsO4 +2.0000 H+ = + 1.0000 H2AsO4- + 1.0000 K+ + 1.0000 UO2++ - log_k -4.1741 - -delta_H 0 # Not possible to calculate enthalpy of reaction KUO2AsO4 + KUO2AsO4 + 2 H+ = H2AsO4- + K+ + UO2+2 + log_k -4.1741 + -delta_H 0 # Not possible to calculate enthalpy of reaction KUO2AsO4 # Enthalpy of formation: 0 kcal/mol Kainite - KMgClSO4:3H2O = + 1.0000 Cl- + 1.0000 K+ + 1.0000 Mg++ + 1.0000 SO4-- + 3.0000 H2O - log_k -0.3114 - -delta_H 0 # Not possible to calculate enthalpy of reaction Kainite + KMgClSO4:3H2O = Cl- + K+ + Mg+2 + SO4-2 + 3 H2O + log_k -0.3114 + -delta_H 0 # Not possible to calculate enthalpy of reaction Kainite # Enthalpy of formation: 0 kcal/mol Kalicinite - KHCO3 = + 1.0000 HCO3- + 1.0000 K+ - log_k 0.2837 - -delta_H 0 # Not possible to calculate enthalpy of reaction Kalicinite + KHCO3 = HCO3- + K+ + log_k 0.2837 + -delta_H 0 # Not possible to calculate enthalpy of reaction Kalicinite # Enthalpy of formation: 0 kcal/mol Kalsilite - KAlSiO4 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 1.0000 SiO2 + 2.0000 H2O - log_k 10.8987 - -delta_H -108.583 kJ/mol # Calculated enthalpy of reaction Kalsilite + KAlSiO4 + 4 H+ = Al+3 + K+ + SiO2 + 2 H2O + log_k 10.8987 + -delta_H -108.583 kJ/mol # Calculated enthalpy of reaction Kalsilite # Enthalpy of formation: -509.408 kcal/mol - -analytic -6.7595e+000 -7.4301e-003 6.5380e+003 1.8999e-001 -2.2880e+005 + -analytic -6.7595e+0 -7.4301e-3 6.538e+3 1.8999e-1 -2.288e+5 # -Range: 0-300 Kaolinite - Al2Si2O5(OH)4 +6.0000 H+ = + 2.0000 Al+++ + 2.0000 SiO2 + 5.0000 H2O - log_k 6.8101 - -delta_H -151.779 kJ/mol # Calculated enthalpy of reaction Kaolinite + Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 SiO2 + 5 H2O + log_k 6.8101 + -delta_H -151.779 kJ/mol # Calculated enthalpy of reaction Kaolinite # Enthalpy of formation: -982.221 kcal/mol - -analytic 1.6835e+001 -7.8939e-003 7.7636e+003 -1.2190e+001 -3.2354e+005 + -analytic 1.6835e+1 -7.8939e-3 7.7636e+3 -1.219e+1 -3.2354e+5 # -Range: 0-300 Karelianite - V2O3 +6.0000 H+ = + 2.0000 V+++ + 3.0000 H2O - log_k 9.9424 - -delta_H -160.615 kJ/mol # Calculated enthalpy of reaction Karelianite + V2O3 + 6 H+ = 2 V+3 + 3 H2O + log_k 9.9424 + -delta_H -160.615 kJ/mol # Calculated enthalpy of reaction Karelianite # Enthalpy of formation: -1218.98 kJ/mol - -analytic -2.7961e+001 -7.1499e-003 6.7749e+003 5.8146e+000 2.6039e+005 + -analytic -2.7961e+1 -7.1499e-3 6.7749e+3 5.8146e+0 2.6039e+5 # -Range: 0-300 Kasolite - Pb(UO2)SiO4:H2O +4.0000 H+ = + 1.0000 Pb++ + 1.0000 SiO2 + 1.0000 UO2++ + 3.0000 H2O - log_k 7.2524 - -delta_H 0 # Not possible to calculate enthalpy of reaction Kasolite + Pb(UO2)SiO4:H2O + 4 H+ = Pb+2 + SiO2 + UO2+2 + 3 H2O + log_k 7.2524 + -delta_H 0 # Not possible to calculate enthalpy of reaction Kasolite # Enthalpy of formation: 0 kcal/mol Katoite - Ca3Al2H12O12 +12.0000 H+ = + 2.0000 Al+++ + 3.0000 Ca++ + 12.0000 H2O - log_k 78.9437 - -delta_H 0 # Not possible to calculate enthalpy of reaction Katoite + Ca3Al2H12O12 + 12 H+ = 2 Al+3 + 3 Ca+2 + 12 H2O + log_k 78.9437 + -delta_H 0 # Not possible to calculate enthalpy of reaction Katoite # Enthalpy of formation: 0 kcal/mol Kieserite - MgSO4:H2O = + 1.0000 H2O + 1.0000 Mg++ + 1.0000 SO4-- - log_k -0.2670 - -delta_H 0 # Not possible to calculate enthalpy of reaction Kieserite + MgSO4:H2O = H2O + Mg+2 + SO4-2 + log_k -0.267 + -delta_H 0 # Not possible to calculate enthalpy of reaction Kieserite # Enthalpy of formation: 0 kcal/mol Klockmannite - CuSe = + 1.0000 Cu++ + 1.0000 Se-- - log_k -41.6172 - -delta_H 0 # Not possible to calculate enthalpy of reaction Klockmannite + CuSe = Cu+2 + Se-2 + log_k -41.6172 + -delta_H 0 # Not possible to calculate enthalpy of reaction Klockmannite # Enthalpy of formation: -10 kcal/mol - -analytic -2.3021e+001 -2.1458e-003 -8.5938e+003 4.3900e+000 -1.4593e+002 + -analytic -2.3021e+1 -2.1458e-3 -8.5938e+3 4.39e+0 -1.4593e+2 # -Range: 0-200 Krutaite - CuSe2 +1.0000 H2O = + 0.5000 O2 + 1.0000 Cu++ + 2.0000 H+ + 2.0000 Se-- - log_k -107.6901 - -delta_H 0 # Not possible to calculate enthalpy of reaction Krutaite + CuSe2 + H2O = 0.5 O2 + Cu+2 + 2 H+ + 2 Se-2 + log_k -107.6901 + -delta_H 0 # Not possible to calculate enthalpy of reaction Krutaite # Enthalpy of formation: -11.5 kcal/mol - -analytic -3.7735e+001 -8.7548e-004 -2.6352e+004 7.5528e+000 -4.4749e+002 + -analytic -3.7735e+1 -8.7548e-4 -2.6352e+4 7.5528e+0 -4.4749e+2 # -Range: 0-200 Kyanite - Al2SiO5 +6.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O - log_k 15.6740 - -delta_H -230.919 kJ/mol # Calculated enthalpy of reaction Kyanite + Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O + log_k 15.674 + -delta_H -230.919 kJ/mol # Calculated enthalpy of reaction Kyanite # Enthalpy of formation: -616.897 kcal/mol - -analytic -7.3335e+001 -3.2853e-002 1.2166e+004 2.3412e+001 1.8986e+002 + -analytic -7.3335e+1 -3.2853e-2 1.2166e+4 2.3412e+1 1.8986e+2 # -Range: 0-300 La - La +3.0000 H+ +0.7500 O2 = + 1.0000 La+++ + 1.5000 H2O - log_k 184.7155 - -delta_H -1129.26 kJ/mol # Calculated enthalpy of reaction La + La + 3 H+ + 0.75 O2 = La+3 + 1.5 H2O + log_k 184.7155 + -delta_H -1129.26 kJ/mol # Calculated enthalpy of reaction La # Enthalpy of formation: 0 kJ/mol - -analytic -5.9508e+001 -2.7578e-002 5.9327e+004 2.1589e+001 9.2577e+002 + -analytic -5.9508e+1 -2.7578e-2 5.9327e+4 2.1589e+1 9.2577e+2 # -Range: 0-300 La(OH)3 - La(OH)3 +3.0000 H+ = + 1.0000 La+++ + 3.0000 H2O - log_k 20.2852 - -delta_H 0 # Not possible to calculate enthalpy of reaction La(OH)3 + La(OH)3 + 3 H+ = La+3 + 3 H2O + log_k 20.2852 + -delta_H 0 # Not possible to calculate enthalpy of reaction La(OH)3 # Enthalpy of formation: 0 kcal/mol La(OH)3(am) - La(OH)3 +3.0000 H+ = + 1.0000 La+++ + 3.0000 H2O - log_k 23.4852 - -delta_H 0 # Not possible to calculate enthalpy of reaction La(OH)3(am) + La(OH)3 + 3 H+ = La+3 + 3 H2O + log_k 23.4852 + -delta_H 0 # Not possible to calculate enthalpy of reaction La(OH)3(am) # Enthalpy of formation: 0 kcal/mol La2(CO3)3:8H2O - La2(CO3)3:8H2O +3.0000 H+ = + 2.0000 La+++ + 3.0000 HCO3- + 8.0000 H2O - log_k -4.3136 - -delta_H 0 # Not possible to calculate enthalpy of reaction La2(CO3)3:8H2O + La2(CO3)3:8H2O + 3 H+ = 2 La+3 + 3 HCO3- + 8 H2O + log_k -4.3136 + -delta_H 0 # Not possible to calculate enthalpy of reaction La2(CO3)3:8H2O # Enthalpy of formation: 0 kcal/mol La2O3 - La2O3 +6.0000 H+ = + 2.0000 La+++ + 3.0000 H2O - log_k 66.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction La2O3 + La2O3 + 6 H+ = 2 La+3 + 3 H2O + log_k 66.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction La2O3 # Enthalpy of formation: 0 kcal/mol LaCl3 - LaCl3 = + 1.0000 La+++ + 3.0000 Cl- - log_k 14.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction LaCl3 + LaCl3 = La+3 + 3 Cl- + log_k 14.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction LaCl3 # Enthalpy of formation: 0 kcal/mol LaCl3:7H2O - LaCl3:7H2O = + 1.0000 La+++ + 3.0000 Cl- + 7.0000 H2O - log_k 4.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction LaCl3:7H2O + LaCl3:7H2O = La+3 + 3 Cl- + 7 H2O + log_k 4.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction LaCl3:7H2O # Enthalpy of formation: 0 kcal/mol LaF3:.5H2O - LaF3:.5H2O = + 0.5000 H2O + 1.0000 La+++ + 3.0000 F- - log_k -18.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction LaF3:.5H2O + LaF3:.5H2O = 0.5 H2O + La+3 + 3 F- + log_k -18.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction LaF3:.5H2O # Enthalpy of formation: 0 kcal/mol LaPO4:10H2O - LaPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 La+++ + 10.0000 H2O - log_k -12.3782 - -delta_H 0 # Not possible to calculate enthalpy of reaction LaPO4:10H2O + LaPO4:10H2O + H+ = HPO4-2 + La+3 + 10 H2O + log_k -12.3782 + -delta_H 0 # Not possible to calculate enthalpy of reaction LaPO4:10H2O # Enthalpy of formation: 0 kcal/mol Lammerite - Cu3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Cu++ - log_k 1.5542 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lammerite + Cu3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Cu+2 + log_k 1.5542 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lammerite # Enthalpy of formation: 0 kcal/mol Lanarkite - Pb2(SO4)O +2.0000 H+ = + 1.0000 H2O + 1.0000 SO4-- + 2.0000 Pb++ - log_k -0.4692 - -delta_H -22.014 kJ/mol # Calculated enthalpy of reaction Lanarkite + Pb2(SO4)O + 2 H+ = H2O + SO4-2 + 2 Pb+2 + log_k -0.4692 + -delta_H -22.014 kJ/mol # Calculated enthalpy of reaction Lanarkite # Enthalpy of formation: -1171.59 kJ/mol - -analytic 5.1071e+000 -1.6655e-002 0.0000e+000 0.0000e+000 -5.5660e+004 + -analytic 5.1071e+0 -1.6655e-2 0e+0 0e+0 -5.566e+4 # -Range: 0-200 Lansfordite - MgCO3:5H2O +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Mg++ + 5.0000 H2O - log_k 4.8409 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lansfordite + MgCO3:5H2O + H+ = HCO3- + Mg+2 + 5 H2O + log_k 4.8409 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lansfordite # Enthalpy of formation: 0 kcal/mol Larnite - Ca2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 Ca++ + 2.0000 H2O - log_k 38.4665 - -delta_H -227.061 kJ/mol # Calculated enthalpy of reaction Larnite + Ca2SiO4 + 4 H+ = SiO2 + 2 Ca+2 + 2 H2O + log_k 38.4665 + -delta_H -227.061 kJ/mol # Calculated enthalpy of reaction Larnite # Enthalpy of formation: -551.74 kcal/mol - -analytic 2.6900e+001 -2.1833e-003 1.0900e+004 -9.5257e+000 -7.2537e+004 + -analytic 2.69e+1 -2.1833e-3 1.09e+4 -9.5257e+0 -7.2537e+4 # -Range: 0-300 Laumontite - CaAl2Si4O12:4H2O +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 SiO2 + 8.0000 H2O - log_k 13.6667 - -delta_H -184.657 kJ/mol # Calculated enthalpy of reaction Laumontite + CaAl2Si4O12:4H2O + 8 H+ = Ca+2 + 2 Al+3 + 4 SiO2 + 8 H2O + log_k 13.6667 + -delta_H -184.657 kJ/mol # Calculated enthalpy of reaction Laumontite # Enthalpy of formation: -1728.66 kcal/mol - -analytic 1.1904e+000 8.1763e-003 1.9005e+004 -1.4561e+001 -1.5851e+006 + -analytic 1.1904e+0 8.1763e-3 1.9005e+4 -1.4561e+1 -1.5851e+6 # -Range: 0-300 Laurite - RuS2 = + 1.0000 Ru++ + 1.0000 S2-- - log_k -73.2649 - -delta_H 0 # Not possible to calculate enthalpy of reaction Laurite + RuS2 = Ru+2 + S2-2 + log_k -73.2649 + -delta_H 0 # Not possible to calculate enthalpy of reaction Laurite # Enthalpy of formation: -199.586 kJ/mol Lawrencite - FeCl2 = + 1.0000 Fe++ + 2.0000 Cl- - log_k 9.0945 - -delta_H -84.7665 kJ/mol # Calculated enthalpy of reaction Lawrencite + FeCl2 = Fe+2 + 2 Cl- + log_k 9.0945 + -delta_H -84.7665 kJ/mol # Calculated enthalpy of reaction Lawrencite # Enthalpy of formation: -341.65 kJ/mol - -analytic -2.2798e+002 -8.1819e-002 9.2620e+003 9.3097e+001 1.4459e+002 + -analytic -2.2798e+2 -8.1819e-2 9.262e+3 9.3097e+1 1.4459e+2 # -Range: 0-300 Lawsonite - CaAl2Si2O7(OH)2:H2O +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 2.0000 SiO2 + 6.0000 H2O - log_k 22.2132 - -delta_H -244.806 kJ/mol # Calculated enthalpy of reaction Lawsonite + CaAl2Si2O7(OH)2:H2O + 8 H+ = Ca+2 + 2 Al+3 + 2 SiO2 + 6 H2O + log_k 22.2132 + -delta_H -244.806 kJ/mol # Calculated enthalpy of reaction Lawsonite # Enthalpy of formation: -1158.1 kcal/mol - -analytic 1.3995e+001 -1.7668e-002 1.0119e+004 -8.3100e+000 1.5789e+002 + -analytic 1.3995e+1 -1.7668e-2 1.0119e+4 -8.31e+0 1.5789e+2 # -Range: 0-300 Leonite - K2Mg(SO4)2:4H2O = + 1.0000 Mg++ + 2.0000 K+ + 2.0000 SO4-- + 4.0000 H2O - log_k -4.1123 - -delta_H 0 # Not possible to calculate enthalpy of reaction Leonite + K2Mg(SO4)2:4H2O = Mg+2 + 2 K+ + 2 SO4-2 + 4 H2O + log_k -4.1123 + -delta_H 0 # Not possible to calculate enthalpy of reaction Leonite # Enthalpy of formation: 0 kcal/mol Li - Li +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Li+ - log_k 72.7622 - -delta_H -418.339 kJ/mol # Calculated enthalpy of reaction Li + Li + H+ + 0.25 O2 = 0.5 H2O + Li+ + log_k 72.7622 + -delta_H -418.339 kJ/mol # Calculated enthalpy of reaction Li # Enthalpy of formation: 0 kJ/mol - -analytic -1.0227e+002 -1.8118e-002 2.6262e+004 3.8056e+001 -1.6166e+005 + -analytic -1.0227e+2 -1.8118e-2 2.6262e+4 3.8056e+1 -1.6166e+5 # -Range: 0-300 Li2Se - Li2Se +1.5000 O2 = + 1.0000 SeO3-- + 2.0000 Li+ - log_k 102.8341 - -delta_H -646.236 kJ/mol # Calculated enthalpy of reaction Li2Se + Li2Se + 1.5 O2 = SeO3-2 + 2 Li+ + log_k 102.8341 + -delta_H -646.236 kJ/mol # Calculated enthalpy of reaction Li2Se # Enthalpy of formation: -96 kcal/mol - -analytic 1.1933e+002 -6.9663e-003 2.7509e+004 -4.3124e+001 4.6710e+002 + -analytic 1.1933e+2 -6.9663e-3 2.7509e+4 -4.3124e+1 4.671e+2 # -Range: 0-200 Li2UO4 - Li2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 Li+ - log_k 27.8421 - -delta_H -179.384 kJ/mol # Calculated enthalpy of reaction Li2UO4 + Li2UO4 + 4 H+ = UO2+2 + 2 H2O + 2 Li+ + log_k 27.8421 + -delta_H -179.384 kJ/mol # Calculated enthalpy of reaction Li2UO4 # Enthalpy of formation: -1968.2 kJ/mol - -analytic -1.4470e+002 -1.2024e-002 1.4899e+004 5.0984e+001 2.5306e+002 + -analytic -1.447e+2 -1.2024e-2 1.4899e+4 5.0984e+1 2.5306e+2 # -Range: 0-200 LiUO2AsO4 - LiUO2AsO4 +2.0000 H+ = + 1.0000 H2AsO4- + 1.0000 Li+ + 1.0000 UO2++ - log_k -0.7862 - -delta_H 0 # Not possible to calculate enthalpy of reaction LiUO2AsO4 + LiUO2AsO4 + 2 H+ = H2AsO4- + Li+ + UO2+2 + log_k -0.7862 + -delta_H 0 # Not possible to calculate enthalpy of reaction LiUO2AsO4 # Enthalpy of formation: 0 kcal/mol Lime - CaO +2.0000 H+ = + 1.0000 Ca++ + 1.0000 H2O - log_k 32.5761 - -delta_H -193.832 kJ/mol # Calculated enthalpy of reaction Lime + CaO + 2 H+ = Ca+2 + H2O + log_k 32.5761 + -delta_H -193.832 kJ/mol # Calculated enthalpy of reaction Lime # Enthalpy of formation: -151.79 kcal/mol - -analytic -7.2686e+001 -1.7654e-002 1.2199e+004 2.8128e+001 1.9037e+002 + -analytic -7.2686e+1 -1.7654e-2 1.2199e+4 2.8128e+1 1.9037e+2 # -Range: 0-300 Linnaeite - Co3S4 +4.0000 H+ = + 1.0000 Co++ + 2.0000 Co+++ + 4.0000 HS- - log_k -106.9017 - -delta_H 420.534 kJ/mol # Calculated enthalpy of reaction Linnaeite + Co3S4 + 4 H+ = Co+2 + 2 Co+3 + 4 HS- + log_k -106.9017 + -delta_H 420.534 kJ/mol # Calculated enthalpy of reaction Linnaeite # Enthalpy of formation: -85.81 kcal/mol - -analytic -6.0034e+002 -2.0179e-001 -9.2145e+003 2.3618e+002 -1.4361e+002 + -analytic -6.0034e+2 -2.0179e-1 -9.2145e+3 2.3618e+2 -1.4361e+2 # -Range: 0-300 Litharge - PbO +2.0000 H+ = + 1.0000 H2O + 1.0000 Pb++ - log_k 12.6388 - -delta_H -65.9118 kJ/mol # Calculated enthalpy of reaction Litharge + PbO + 2 H+ = H2O + Pb+2 + log_k 12.6388 + -delta_H -65.9118 kJ/mol # Calculated enthalpy of reaction Litharge # Enthalpy of formation: -219.006 kJ/mol - -analytic -1.8683e+001 -2.0211e-003 4.1876e+003 7.2239e+000 7.1118e+001 + -analytic -1.8683e+1 -2.0211e-3 4.1876e+3 7.2239e+0 7.1118e+1 # -Range: 0-200 Lopezite - K2Cr2O7 +1.0000 H2O = + 2.0000 CrO4-- + 2.0000 H+ + 2.0000 K+ - log_k -17.4366 - -delta_H 81.9227 kJ/mol # Calculated enthalpy of reaction Lopezite + K2Cr2O7 + H2O = 2 CrO4-2 + 2 H+ + 2 K+ + log_k -17.4366 + -delta_H 81.9227 kJ/mol # Calculated enthalpy of reaction Lopezite # Enthalpy of formation: -493.003 kcal/mol - -analytic 7.8359e+001 -2.2908e-002 -9.3812e+003 -2.3245e+001 -1.5933e+002 + -analytic 7.8359e+1 -2.2908e-2 -9.3812e+3 -2.3245e+1 -1.5933e+2 # -Range: 0-200 Lu - Lu +3.0000 H+ +0.7500 O2 = + 1.0000 Lu+++ + 1.5000 H2O - log_k 181.3437 - -delta_H -1122.15 kJ/mol # Calculated enthalpy of reaction Lu + Lu + 3 H+ + 0.75 O2 = Lu+3 + 1.5 H2O + log_k 181.3437 + -delta_H -1122.15 kJ/mol # Calculated enthalpy of reaction Lu # Enthalpy of formation: 0 kJ/mol - -analytic -6.8950e+001 -2.8643e-002 5.9209e+004 2.4332e+001 9.2392e+002 + -analytic -6.895e+1 -2.8643e-2 5.9209e+4 2.4332e+1 9.2392e+2 # -Range: 0-300 Lu(OH)3 - Lu(OH)3 +3.0000 H+ = + 1.0000 Lu+++ + 3.0000 H2O - log_k 14.4852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(OH)3 + Lu(OH)3 + 3 H+ = Lu+3 + 3 H2O + log_k 14.4852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(OH)3 # Enthalpy of formation: 0 kcal/mol Lu(OH)3(am) - Lu(OH)3 +3.0000 H+ = + 1.0000 Lu+++ + 3.0000 H2O - log_k 18.9852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(OH)3(am) + Lu(OH)3 + 3 H+ = Lu+3 + 3 H2O + log_k 18.9852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lu(OH)3(am) # Enthalpy of formation: 0 kcal/mol Lu2(CO3)3 - Lu2(CO3)3 +3.0000 H+ = + 2.0000 Lu+++ + 3.0000 HCO3- - log_k -2.0136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lu2(CO3)3 + Lu2(CO3)3 + 3 H+ = 2 Lu+3 + 3 HCO3- + log_k -2.0136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lu2(CO3)3 # Enthalpy of formation: 0 kcal/mol Lu2O3 - Lu2O3 +6.0000 H+ = + 2.0000 Lu+++ + 3.0000 H2O - log_k 45.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Lu2O3 + Lu2O3 + 6 H+ = 2 Lu+3 + 3 H2O + log_k 45 + -delta_H 0 # Not possible to calculate enthalpy of reaction Lu2O3 # Enthalpy of formation: 0 kcal/mol LuF3:.5H2O - LuF3:.5H2O = + 0.5000 H2O + 1.0000 Lu+++ + 3.0000 F- - log_k -15.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction LuF3:.5H2O + LuF3:.5H2O = 0.5 H2O + Lu+3 + 3 F- + log_k -15.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction LuF3:.5H2O # Enthalpy of formation: 0 kcal/mol LuPO4:10H2O - LuPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Lu+++ + 10.0000 H2O - log_k -11.6782 - -delta_H 0 # Not possible to calculate enthalpy of reaction LuPO4:10H2O + LuPO4:10H2O + H+ = HPO4-2 + Lu+3 + 10 H2O + log_k -11.6782 + -delta_H 0 # Not possible to calculate enthalpy of reaction LuPO4:10H2O # Enthalpy of formation: 0 kcal/mol Magnesiochromite - MgCr2O4 +8.0000 H+ = + 1.0000 Mg++ + 2.0000 Cr+++ + 4.0000 H2O - log_k 21.6927 - -delta_H -302.689 kJ/mol # Calculated enthalpy of reaction Magnesiochromite + MgCr2O4 + 8 H+ = Mg+2 + 2 Cr+3 + 4 H2O + log_k 21.6927 + -delta_H -302.689 kJ/mol # Calculated enthalpy of reaction Magnesiochromite # Enthalpy of formation: -1783.6 kJ/mol - -analytic -1.7376e+002 -8.7429e-003 2.1600e+004 5.0762e+001 3.6685e+002 + -analytic -1.7376e+2 -8.7429e-3 2.16e+4 5.0762e+1 3.6685e+2 # -Range: 0-200 Magnesite - MgCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Mg++ - log_k 2.2936 - -delta_H -44.4968 kJ/mol # Calculated enthalpy of reaction Magnesite + MgCO3 + H+ = HCO3- + Mg+2 + log_k 2.2936 + -delta_H -44.4968 kJ/mol # Calculated enthalpy of reaction Magnesite # Enthalpy of formation: -265.63 kcal/mol - -analytic -1.6665e+002 -4.9469e-002 6.4344e+003 6.5506e+001 1.0045e+002 + -analytic -1.6665e+2 -4.9469e-2 6.4344e+3 6.5506e+1 1.0045e+2 # -Range: 0-300 Magnetite - Fe3O4 +8.0000 H+ = + 1.0000 Fe++ + 2.0000 Fe+++ + 4.0000 H2O - log_k 10.4724 - -delta_H -216.597 kJ/mol # Calculated enthalpy of reaction Magnetite + Fe3O4 + 8 H+ = Fe+2 + 2 Fe+3 + 4 H2O + log_k 10.4724 + -delta_H -216.597 kJ/mol # Calculated enthalpy of reaction Magnetite # Enthalpy of formation: -267.25 kcal/mol - -analytic -3.0510e+002 -7.9919e-002 1.8709e+004 1.1178e+002 2.9203e+002 + -analytic -3.051e+2 -7.9919e-2 1.8709e+4 1.1178e+2 2.9203e+2 # -Range: 0-300 Malachite - Cu2CO3(OH)2 +3.0000 H+ = + 1.0000 HCO3- + 2.0000 Cu++ + 2.0000 H2O - log_k 5.9399 - -delta_H -76.2827 kJ/mol # Calculated enthalpy of reaction Malachite + Cu2CO3(OH)2 + 3 H+ = HCO3- + 2 Cu+2 + 2 H2O + log_k 5.9399 + -delta_H -76.2827 kJ/mol # Calculated enthalpy of reaction Malachite # Enthalpy of formation: -251.9 kcal/mol - -analytic -2.7189e+002 -6.9454e-002 1.1451e+004 1.0511e+002 1.7877e+002 + -analytic -2.7189e+2 -6.9454e-2 1.1451e+4 1.0511e+2 1.7877e+2 # -Range: 0-300 Manganite - MnO(OH) +3.0000 H+ = + 1.0000 Mn+++ + 2.0000 H2O - log_k -0.1646 - -delta_H 0 # Not possible to calculate enthalpy of reaction Manganite + MnO(OH) + 3 H+ = Mn+3 + 2 H2O + log_k -0.1646 + -delta_H 0 # Not possible to calculate enthalpy of reaction Manganite # Enthalpy of formation: 0 kcal/mol Manganosite - MnO +2.0000 H+ = + 1.0000 H2O + 1.0000 Mn++ - log_k 17.9240 - -delta_H -121.215 kJ/mol # Calculated enthalpy of reaction Manganosite + MnO + 2 H+ = H2O + Mn+2 + log_k 17.924 + -delta_H -121.215 kJ/mol # Calculated enthalpy of reaction Manganosite # Enthalpy of formation: -92.07 kcal/mol - -analytic -8.4114e+001 -1.8490e-002 8.7792e+003 3.1561e+001 1.3702e+002 + -analytic -8.4114e+1 -1.849e-2 8.7792e+3 3.1561e+1 1.3702e+2 # -Range: 0-300 Margarite - CaAl4Si2O10(OH)2 +14.0000 H+ = + 1.0000 Ca++ + 2.0000 SiO2 + 4.0000 Al+++ + 8.0000 H2O - log_k 41.0658 - -delta_H -522.192 kJ/mol # Calculated enthalpy of reaction Margarite + CaAl4Si2O10(OH)2 + 14 H+ = Ca+2 + 2 SiO2 + 4 Al+3 + 8 H2O + log_k 41.0658 + -delta_H -522.192 kJ/mol # Calculated enthalpy of reaction Margarite # Enthalpy of formation: -1485.8 kcal/mol - -analytic -2.3138e+002 -8.2788e-002 3.0154e+004 7.9148e+001 4.7060e+002 + -analytic -2.3138e+2 -8.2788e-2 3.0154e+4 7.9148e+1 4.706e+2 # -Range: 0-300 Massicot - PbO +2.0000 H+ = + 1.0000 H2O + 1.0000 Pb++ - log_k 12.8210 - -delta_H -67.6078 kJ/mol # Calculated enthalpy of reaction Massicot + PbO + 2 H+ = H2O + Pb+2 + log_k 12.821 + -delta_H -67.6078 kJ/mol # Calculated enthalpy of reaction Massicot # Enthalpy of formation: -217.31 kJ/mol - -analytic -1.8738e+001 -2.0125e-003 4.2739e+003 7.2018e+000 7.2584e+001 + -analytic -1.8738e+1 -2.0125e-3 4.2739e+3 7.2018e+0 7.2584e+1 # -Range: 0-200 Matlockite - PbFCl = + 1.0000 Cl- + 1.0000 F- + 1.0000 Pb++ - log_k -9.4300 - -delta_H 0 # Not possible to calculate enthalpy of reaction Matlockite + PbFCl = Cl- + F- + Pb+2 + log_k -9.43 + -delta_H 0 # Not possible to calculate enthalpy of reaction Matlockite # Enthalpy of formation: 0 kcal/mol Maximum_Microcline - KAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 SiO2 - log_k -0.2753 - -delta_H -23.9408 kJ/mol # Calculated enthalpy of reaction Maximum_Microcline + KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2 + log_k -0.2753 + -delta_H -23.9408 kJ/mol # Calculated enthalpy of reaction Maximum_Microcline # Enthalpy of formation: -949.188 kcal/mol - -analytic -9.4387e+000 1.3561e-002 1.2656e+004 -7.4925e+000 -1.6795e+006 + -analytic -9.4387e+0 1.3561e-2 1.2656e+4 -7.4925e+0 -1.6795e+6 # -Range: 0-300 Mayenite - Ca12Al14O33 +66.0000 H+ = + 12.0000 Ca++ + 14.0000 Al+++ + 33.0000 H2O - log_k 494.2199 - -delta_H -4056.77 kJ/mol # Calculated enthalpy of reaction Mayenite + Ca12Al14O33 + 66 H+ = 12 Ca+2 + 14 Al+3 + 33 H2O + log_k 494.2199 + -delta_H -4056.77 kJ/mol # Calculated enthalpy of reaction Mayenite # Enthalpy of formation: -4644 kcal/mol - -analytic -1.4778e+003 -2.9898e-001 2.4918e+005 4.9518e+002 4.2319e+003 + -analytic -1.4778e+3 -2.9898e-1 2.4918e+5 4.9518e+2 4.2319e+3 # -Range: 0-200 Melanterite - FeSO4:7H2O = + 1.0000 Fe++ + 1.0000 SO4-- + 7.0000 H2O - log_k -2.3490 - -delta_H 11.7509 kJ/mol # Calculated enthalpy of reaction Melanterite + FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O + log_k -2.349 + -delta_H 11.7509 kJ/mol # Calculated enthalpy of reaction Melanterite # Enthalpy of formation: -3014.48 kJ/mol - -analytic -2.6230e+002 -7.2469e-002 6.5854e+003 1.0484e+002 1.0284e+002 + -analytic -2.623e+2 -7.2469e-2 6.5854e+3 1.0484e+2 1.0284e+2 # -Range: 0-300 Mercallite - KHSO4 = + 1.0000 H+ + 1.0000 K+ + 1.0000 SO4-- - log_k -1.4389 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mercallite + KHSO4 = H+ + K+ + SO4-2 + log_k -1.4389 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mercallite # Enthalpy of formation: 0 kcal/mol Merwinite - MgCa3(SiO4)2 +8.0000 H+ = + 1.0000 Mg++ + 2.0000 SiO2 + 3.0000 Ca++ + 4.0000 H2O - log_k 68.5140 - -delta_H -430.069 kJ/mol # Calculated enthalpy of reaction Merwinite + MgCa3(SiO4)2 + 8 H+ = Mg+2 + 2 SiO2 + 3 Ca+2 + 4 H2O + log_k 68.514 + -delta_H -430.069 kJ/mol # Calculated enthalpy of reaction Merwinite # Enthalpy of formation: -1090.8 kcal/mol - -analytic -2.2524e+002 -4.2525e-002 3.5619e+004 7.9984e+001 -9.8259e+005 + -analytic -2.2524e+2 -4.2525e-2 3.5619e+4 7.9984e+1 -9.8259e+5 # -Range: 0-300 Mesolite - Na.676Ca.657Al1.99Si3.01O10:2.647H2O +7.9600 H+ = + 0.6570 Ca++ + 0.6760 Na+ + 1.9900 Al+++ + 3.0100 SiO2 + 6.6270 H2O - log_k 13.6191 - -delta_H -179.744 kJ/mol # Calculated enthalpy of reaction Mesolite + Na.676Ca.657Al1.99Si3.01O10:2.647H2O + 7.96 H+ = 0.657 Ca+2 + 0.676 Na+ + 1.99 Al+3 + 3.01 SiO2 + 6.627 H2O + log_k 13.6191 + -delta_H -179.744 kJ/mol # Calculated enthalpy of reaction Mesolite # Enthalpy of formation: -5947.05 kJ/mol - -analytic 7.1993e+000 5.9356e-003 1.4717e+004 -1.3627e+001 -9.8863e+005 + -analytic 7.1993e+0 5.9356e-3 1.4717e+4 -1.3627e+1 -9.8863e+5 # -Range: 0-300 Metacinnabar - HgS +1.0000 H+ = + 1.0000 HS- + 1.0000 Hg++ - log_k -38.5979 - -delta_H 203.426 kJ/mol # Calculated enthalpy of reaction Metacinnabar + HgS + H+ = HS- + Hg+2 + log_k -38.5979 + -delta_H 203.426 kJ/mol # Calculated enthalpy of reaction Metacinnabar # Enthalpy of formation: -11.8 kcal/mol - -analytic -1.5399e+002 -4.6740e-002 -6.7875e+003 6.1456e+001 -1.0587e+002 + -analytic -1.5399e+2 -4.674e-2 -6.7875e+3 6.1456e+1 -1.0587e+2 # -Range: 0-300 Mg - Mg +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Mg++ - log_k 122.5365 - -delta_H -745.731 kJ/mol # Calculated enthalpy of reaction Mg + Mg + 2 H+ + 0.5 O2 = H2O + Mg+2 + log_k 122.5365 + -delta_H -745.731 kJ/mol # Calculated enthalpy of reaction Mg # Enthalpy of formation: 0 kJ/mol - -analytic -6.5988e+001 -1.9356e-002 4.0318e+004 2.3862e+001 6.2914e+002 + -analytic -6.5988e+1 -1.9356e-2 4.0318e+4 2.3862e+1 6.2914e+2 # -Range: 0-300 Mg1.25SO4(OH)0.5:0.5H2O - Mg1.25SO4(OH)0.5:0.5H2O +0.5000 H+ = + 1.0000 H2O + 1.0000 SO4-- + 1.2500 Mg++ - log_k 5.2600 - -delta_H -97.1054 kJ/mol # Calculated enthalpy of reaction Mg1.25SO4(OH)0.5:0.5H2O + Mg1.25SO4(OH)0.5:0.5H2O + 0.5 H+ = H2O + SO4-2 + 1.25 Mg+2 + log_k 5.26 + -delta_H -97.1054 kJ/mol # Calculated enthalpy of reaction Mg1.25SO4(OH)0.5:0.5H2O # Enthalpy of formation: -401.717 kcal/mol - -analytic -2.6791e+002 -8.7078e-002 1.1090e+004 1.0583e+002 1.7312e+002 + -analytic -2.6791e+2 -8.7078e-2 1.109e+4 1.0583e+2 1.7312e+2 # -Range: 0-300 Mg1.5SO4(OH) - Mg1.5SO4(OH) +1.0000 H+ = + 1.0000 H2O + 1.0000 SO4-- + 1.5000 Mg++ - log_k 9.2551 - -delta_H -125.832 kJ/mol # Calculated enthalpy of reaction Mg1.5SO4(OH) + Mg1.5SO4(OH) + H+ = H2O + SO4-2 + 1.5 Mg+2 + log_k 9.2551 + -delta_H -125.832 kJ/mol # Calculated enthalpy of reaction Mg1.5SO4(OH) # Enthalpy of formation: -422.693 kcal/mol - -analytic -2.8698e+002 -9.1970e-002 1.3088e+004 1.1304e+002 2.0432e+002 + -analytic -2.8698e+2 -9.197e-2 1.3088e+4 1.1304e+2 2.0432e+2 # -Range: 0-300 Mg2V2O7 - Mg2V2O7 +1.0000 H2O = + 2.0000 H+ + 2.0000 Mg++ + 2.0000 VO4--- - log_k -30.9025 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mg2V2O7 + Mg2V2O7 + H2O = 2 H+ + 2 Mg+2 + 2 VO4-3 + log_k -30.9025 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mg2V2O7 # Enthalpy of formation: -2836.23 kJ/mol MgBr2 - MgBr2 = + 1.0000 Mg++ + 2.0000 Br- - log_k 28.5302 - -delta_H -190.15 kJ/mol # Calculated enthalpy of reaction MgBr2 + MgBr2 = Mg+2 + 2 Br- + log_k 28.5302 + -delta_H -190.15 kJ/mol # Calculated enthalpy of reaction MgBr2 # Enthalpy of formation: -124 kcal/mol - -analytic -2.1245e+002 -7.6168e-002 1.4466e+004 8.6940e+001 2.2579e+002 + -analytic -2.1245e+2 -7.6168e-2 1.4466e+4 8.694e+1 2.2579e+2 # -Range: 0-300 MgBr2:6H2O - MgBr2:6H2O = + 1.0000 Mg++ + 2.0000 Br- + 6.0000 H2O - log_k 5.1656 - -delta_H -14.2682 kJ/mol # Calculated enthalpy of reaction MgBr2:6H2O + MgBr2:6H2O = Mg+2 + 2 Br- + 6 H2O + log_k 5.1656 + -delta_H -14.2682 kJ/mol # Calculated enthalpy of reaction MgBr2:6H2O # Enthalpy of formation: -2409.73 kJ/mol - -analytic -1.3559e+002 -1.6479e-002 5.8571e+003 5.0924e+001 9.9508e+001 + -analytic -1.3559e+2 -1.6479e-2 5.8571e+3 5.0924e+1 9.9508e+1 # -Range: 0-200 MgCl2:2H2O - MgCl2:2H2O = + 1.0000 Mg++ + 2.0000 Cl- + 2.0000 H2O - log_k 12.7763 - -delta_H -92.0895 kJ/mol # Calculated enthalpy of reaction MgCl2:2H2O + MgCl2:2H2O = Mg+2 + 2 Cl- + 2 H2O + log_k 12.7763 + -delta_H -92.0895 kJ/mol # Calculated enthalpy of reaction MgCl2:2H2O # Enthalpy of formation: -1279.71 kJ/mol - -analytic -2.5409e+002 -8.1413e-002 1.0941e+004 1.0281e+002 1.7080e+002 + -analytic -2.5409e+2 -8.1413e-2 1.0941e+4 1.0281e+2 1.708e+2 # -Range: 0-300 MgCl2:4H2O - MgCl2:4H2O = + 1.0000 Mg++ + 2.0000 Cl- + 4.0000 H2O - log_k 7.3581 - -delta_H -44.4602 kJ/mol # Calculated enthalpy of reaction MgCl2:4H2O + MgCl2:4H2O = Mg+2 + 2 Cl- + 4 H2O + log_k 7.3581 + -delta_H -44.4602 kJ/mol # Calculated enthalpy of reaction MgCl2:4H2O # Enthalpy of formation: -1899.01 kJ/mol - -analytic -2.7604e+002 -8.1648e-002 9.5501e+003 1.1140e+002 1.4910e+002 + -analytic -2.7604e+2 -8.1648e-2 9.5501e+3 1.114e+2 1.491e+2 # -Range: 0-300 MgCl2:H2O - MgCl2:H2O = + 1.0000 H2O + 1.0000 Mg++ + 2.0000 Cl- - log_k 16.1187 - -delta_H -119.326 kJ/mol # Calculated enthalpy of reaction MgCl2:H2O + MgCl2:H2O = H2O + Mg+2 + 2 Cl- + log_k 16.1187 + -delta_H -119.326 kJ/mol # Calculated enthalpy of reaction MgCl2:H2O # Enthalpy of formation: -966.631 kJ/mol - -analytic -2.4414e+002 -8.1310e-002 1.1862e+004 9.8878e+001 1.8516e+002 + -analytic -2.4414e+2 -8.131e-2 1.1862e+4 9.8878e+1 1.8516e+2 # -Range: 0-300 MgOHCl - MgOHCl +1.0000 H+ = + 1.0000 Cl- + 1.0000 H2O + 1.0000 Mg++ - log_k 15.9138 - -delta_H -118.897 kJ/mol # Calculated enthalpy of reaction MgOHCl + MgOHCl + H+ = Cl- + H2O + Mg+2 + log_k 15.9138 + -delta_H -118.897 kJ/mol # Calculated enthalpy of reaction MgOHCl # Enthalpy of formation: -191.2 kcal/mol - -analytic -1.6614e+002 -4.9715e-002 1.0311e+004 6.5578e+001 1.6093e+002 + -analytic -1.6614e+2 -4.9715e-2 1.0311e+4 6.5578e+1 1.6093e+2 # -Range: 0-300 MgSO4 - MgSO4 = + 1.0000 Mg++ + 1.0000 SO4-- - log_k 4.8781 - -delta_H -90.6421 kJ/mol # Calculated enthalpy of reaction MgSO4 + MgSO4 = Mg+2 + SO4-2 + log_k 4.8781 + -delta_H -90.6421 kJ/mol # Calculated enthalpy of reaction MgSO4 # Enthalpy of formation: -1284.92 kJ/mol - -analytic -2.2439e+002 -7.9688e-002 9.3058e+003 8.9622e+001 1.4527e+002 + -analytic -2.2439e+2 -7.9688e-2 9.3058e+3 8.9622e+1 1.4527e+2 # -Range: 0-300 MgSeO3 - MgSeO3 = + 1.0000 Mg++ + 1.0000 SeO3-- - log_k 1.7191 - -delta_H -74.9647 kJ/mol # Calculated enthalpy of reaction MgSeO3 + MgSeO3 = Mg+2 + SeO3-2 + log_k 1.7191 + -delta_H -74.9647 kJ/mol # Calculated enthalpy of reaction MgSeO3 # Enthalpy of formation: -215.15 kcal/mol - -analytic -2.2593e+002 -8.1045e-002 8.4609e+003 9.0278e+001 1.3209e+002 + -analytic -2.2593e+2 -8.1045e-2 8.4609e+3 9.0278e+1 1.3209e+2 # -Range: 0-300 MgSeO3:6H2O - MgSeO3:6H2O = + 1.0000 Mg++ + 1.0000 SeO3-- + 6.0000 H2O - log_k -3.4222 - -delta_H 11.7236 kJ/mol # Calculated enthalpy of reaction MgSeO3:6H2O + MgSeO3:6H2O = Mg+2 + SeO3-2 + 6 H2O + log_k -3.4222 + -delta_H 11.7236 kJ/mol # Calculated enthalpy of reaction MgSeO3:6H2O # Enthalpy of formation: -645.771 kcal/mol - -analytic -1.2807e+002 -1.5418e-002 4.0565e+003 4.6728e+001 6.8929e+001 + -analytic -1.2807e+2 -1.5418e-2 4.0565e+3 4.6728e+1 6.8929e+1 # -Range: 0-200 MgUO4 - MgUO4 +4.0000 H+ = + 1.0000 Mg++ + 1.0000 UO2++ + 2.0000 H2O - log_k 23.0023 - -delta_H -199.336 kJ/mol # Calculated enthalpy of reaction MgUO4 + MgUO4 + 4 H+ = Mg+2 + UO2+2 + 2 H2O + log_k 23.0023 + -delta_H -199.336 kJ/mol # Calculated enthalpy of reaction MgUO4 # Enthalpy of formation: -1857.3 kJ/mol - -analytic -9.9954e+001 -2.0142e-002 1.3078e+004 3.4386e+001 2.0410e+002 + -analytic -9.9954e+1 -2.0142e-2 1.3078e+4 3.4386e+1 2.041e+2 # -Range: 0-300 MgV2O6 - MgV2O6 +2.0000 H2O = + 1.0000 Mg++ + 2.0000 VO4--- + 4.0000 H+ - log_k -45.8458 - -delta_H 0 # Not possible to calculate enthalpy of reaction MgV2O6 + MgV2O6 + 2 H2O = Mg+2 + 2 VO4-3 + 4 H+ + log_k -45.8458 + -delta_H 0 # Not possible to calculate enthalpy of reaction MgV2O6 # Enthalpy of formation: -2201.88 kJ/mol Millerite - NiS +1.0000 H+ = + 1.0000 HS- + 1.0000 Ni++ - log_k -8.0345 - -delta_H 12.089 kJ/mol # Calculated enthalpy of reaction Millerite + NiS + H+ = HS- + Ni+2 + log_k -8.0345 + -delta_H 12.089 kJ/mol # Calculated enthalpy of reaction Millerite # Enthalpy of formation: -82.171 kJ/mol - -analytic -1.4848e+002 -4.8834e-002 2.6981e+003 5.8976e+001 4.2145e+001 + -analytic -1.4848e+2 -4.8834e-2 2.6981e+3 5.8976e+1 4.2145e+1 # -Range: 0-300 Minium - Pb3O4 +8.0000 H+ = + 1.0000 Pb++++ + 2.0000 Pb++ + 4.0000 H2O - log_k 16.2585 - -delta_H 0 # Not possible to calculate enthalpy of reaction Minium + Pb3O4 + 8 H+ = Pb+4 + 2 Pb+2 + 4 H2O + log_k 16.2585 + -delta_H 0 # Not possible to calculate enthalpy of reaction Minium # Enthalpy of formation: -718.493 kJ/mol Minnesotaite - Fe3Si4O10(OH)2 +6.0000 H+ = + 3.0000 Fe++ + 4.0000 H2O + 4.0000 SiO2 - log_k 13.9805 - -delta_H -105.211 kJ/mol # Calculated enthalpy of reaction Minnesotaite + Fe3Si4O10(OH)2 + 6 H+ = 3 Fe+2 + 4 H2O + 4 SiO2 + log_k 13.9805 + -delta_H -105.211 kJ/mol # Calculated enthalpy of reaction Minnesotaite # Enthalpy of formation: -1153.37 kcal/mol - -analytic -1.8812e+001 1.7261e-002 1.9804e+004 -6.4410e+000 -2.0433e+006 + -analytic -1.8812e+1 1.7261e-2 1.9804e+4 -6.441e+0 -2.0433e+6 # -Range: 0-300 Mirabilite - Na2SO4:10H2O = + 1.0000 SO4-- + 2.0000 Na+ + 10.0000 H2O - log_k -1.1398 - -delta_H 79.4128 kJ/mol # Calculated enthalpy of reaction Mirabilite + Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O + log_k -1.1398 + -delta_H 79.4128 kJ/mol # Calculated enthalpy of reaction Mirabilite # Enthalpy of formation: -4328 kJ/mol - -analytic -2.1877e+002 -3.6692e-003 5.9214e+003 8.0361e+001 1.0063e+002 + -analytic -2.1877e+2 -3.6692e-3 5.9214e+3 8.0361e+1 1.0063e+2 # -Range: 0-200 Misenite - K8H6(SO4)7 = + 6.0000 H+ + 7.0000 SO4-- + 8.0000 K+ - log_k -11.0757 - -delta_H 0 # Not possible to calculate enthalpy of reaction Misenite + K8H6(SO4)7 = 6 H+ + 7 SO4-2 + 8 K+ + log_k -11.0757 + -delta_H 0 # Not possible to calculate enthalpy of reaction Misenite # Enthalpy of formation: 0 kcal/mol Mn - Mn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Mn++ - log_k 82.9505 - -delta_H -500.369 kJ/mol # Calculated enthalpy of reaction Mn + Mn + 2 H+ + 0.5 O2 = H2O + Mn+2 + log_k 82.9505 + -delta_H -500.369 kJ/mol # Calculated enthalpy of reaction Mn # Enthalpy of formation: 0 kJ/mol - -analytic -6.5558e+001 -2.0429e-002 2.7571e+004 2.5098e+001 4.3024e+002 + -analytic -6.5558e+1 -2.0429e-2 2.7571e+4 2.5098e+1 4.3024e+2 # -Range: 0-300 Mn(OH)2(am) - Mn(OH)2 +2.0000 H+ = + 1.0000 Mn++ + 2.0000 H2O - log_k 15.3102 - -delta_H -97.1779 kJ/mol # Calculated enthalpy of reaction Mn(OH)2(am) + Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O + log_k 15.3102 + -delta_H -97.1779 kJ/mol # Calculated enthalpy of reaction Mn(OH)2(am) # Enthalpy of formation: -695.096 kJ/mol - -analytic -7.8518e+001 -7.5357e-003 8.0198e+003 2.7955e+001 1.3621e+002 + -analytic -7.8518e+1 -7.5357e-3 8.0198e+3 2.7955e+1 1.3621e+2 # -Range: 0-200 Mn(OH)3 - Mn(OH)3 +3.0000 H+ = + 1.0000 Mn+++ + 3.0000 H2O - log_k 6.3412 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)3 + Mn(OH)3 + 3 H+ = Mn+3 + 3 H2O + log_k 6.3412 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mn(OH)3 # Enthalpy of formation: 0 kcal/mol Mn3(PO4)2 - Mn3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Mn++ - log_k 0.8167 - -delta_H 0 # Not possible to calculate enthalpy of reaction Mn3(PO4)2 + Mn3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Mn+2 + log_k 0.8167 + -delta_H 0 # Not possible to calculate enthalpy of reaction Mn3(PO4)2 # Enthalpy of formation: 0 kcal/mol MnCl2:2H2O - MnCl2:2H2O = + 1.0000 Mn++ + 2.0000 Cl- + 2.0000 H2O - log_k 4.0067 - -delta_H -34.4222 kJ/mol # Calculated enthalpy of reaction MnCl2:2H2O + MnCl2:2H2O = Mn+2 + 2 Cl- + 2 H2O + log_k 4.0067 + -delta_H -34.4222 kJ/mol # Calculated enthalpy of reaction MnCl2:2H2O # Enthalpy of formation: -1092.01 kJ/mol - -analytic -6.2823e+001 -2.3959e-002 2.9931e+003 2.5834e+001 5.0850e+001 + -analytic -6.2823e+1 -2.3959e-2 2.9931e+3 2.5834e+1 5.085e+1 # -Range: 0-200 MnCl2:4H2O - MnCl2:4H2O = + 1.0000 Mn++ + 2.0000 Cl- + 4.0000 H2O - log_k 2.7563 - -delta_H -10.7019 kJ/mol # Calculated enthalpy of reaction MnCl2:4H2O + MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O + log_k 2.7563 + -delta_H -10.7019 kJ/mol # Calculated enthalpy of reaction MnCl2:4H2O # Enthalpy of formation: -1687.41 kJ/mol - -analytic -1.1049e+002 -2.3376e-002 4.0458e+003 4.3097e+001 6.8742e+001 + -analytic -1.1049e+2 -2.3376e-2 4.0458e+3 4.3097e+1 6.8742e+1 # -Range: 0-200 MnCl2:H2O - MnCl2:H2O = + 1.0000 H2O + 1.0000 Mn++ + 2.0000 Cl- - log_k 5.5517 - -delta_H -50.8019 kJ/mol # Calculated enthalpy of reaction MnCl2:H2O + MnCl2:H2O = H2O + Mn+2 + 2 Cl- + log_k 5.5517 + -delta_H -50.8019 kJ/mol # Calculated enthalpy of reaction MnCl2:H2O # Enthalpy of formation: -789.793 kJ/mol - -analytic -4.5051e+001 -2.5923e-002 2.8739e+003 1.9674e+001 4.8818e+001 + -analytic -4.5051e+1 -2.5923e-2 2.8739e+3 1.9674e+1 4.8818e+1 # -Range: 0-200 MnHPO4 - MnHPO4 = + 1.0000 HPO4-- + 1.0000 Mn++ - log_k -12.9470 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnHPO4 + MnHPO4 = HPO4-2 + Mn+2 + log_k -12.947 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnHPO4 # Enthalpy of formation: 0 kcal/mol MnO2(gamma) - MnO2 = + 0.5000 Mn++ + 0.5000 MnO4-- - log_k -16.1261 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnO2(gamma) + MnO2 = 0.5 Mn+2 + 0.5 MnO4-2 + log_k -16.1261 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnO2(gamma) # Enthalpy of formation: 0 kcal/mol MnSO4 - MnSO4 = + 1.0000 Mn++ + 1.0000 SO4-- - log_k 2.6561 - -delta_H -64.8718 kJ/mol # Calculated enthalpy of reaction MnSO4 + MnSO4 = Mn+2 + SO4-2 + log_k 2.6561 + -delta_H -64.8718 kJ/mol # Calculated enthalpy of reaction MnSO4 # Enthalpy of formation: -1065.33 kJ/mol - -analytic -2.3088e+002 -8.2694e-002 8.1653e+003 9.3256e+001 1.2748e+002 + -analytic -2.3088e+2 -8.2694e-2 8.1653e+3 9.3256e+1 1.2748e+2 # -Range: 0-300 MnSe - MnSe = + 1.0000 Mn++ + 1.0000 Se-- - log_k -10.6848 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnSe + MnSe = Mn+2 + Se-2 + log_k -10.6848 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnSe # Enthalpy of formation: -37 kcal/mol - -analytic -5.9960e+001 -1.5963e-002 1.2813e+003 2.0095e+001 2.0010e+001 + -analytic -5.996e+1 -1.5963e-2 1.2813e+3 2.0095e+1 2.001e+1 # -Range: 0-300 MnSeO3 - MnSeO3 = + 1.0000 Mn++ + 1.0000 SeO3-- - log_k -7.2700 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnSeO3 + MnSeO3 = Mn+2 + SeO3-2 + log_k -7.27 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnSeO3 # Enthalpy of formation: 0 kcal/mol MnSeO3:2H2O - MnSeO3:2H2O = + 1.0000 Mn++ + 1.0000 SeO3-- + 2.0000 H2O - log_k -6.3219 - -delta_H 14.0792 kJ/mol # Calculated enthalpy of reaction MnSeO3:2H2O + MnSeO3:2H2O = Mn+2 + SeO3-2 + 2 H2O + log_k -6.3219 + -delta_H 14.0792 kJ/mol # Calculated enthalpy of reaction MnSeO3:2H2O # Enthalpy of formation: -314.423 kcal/mol - -analytic -4.3625e+001 -2.0426e-002 -2.5368e+002 1.7876e+001 -4.2927e+000 + -analytic -4.3625e+1 -2.0426e-2 -2.5368e+2 1.7876e+1 -4.2927e+0 # -Range: 0-200 MnV2O6 - MnV2O6 +2.0000 H2O = + 1.0000 Mn++ + 2.0000 VO4--- + 4.0000 H+ - log_k -52.0751 - -delta_H 0 # Not possible to calculate enthalpy of reaction MnV2O6 + MnV2O6 + 2 H2O = Mn+2 + 2 VO4-3 + 4 H+ + log_k -52.0751 + -delta_H 0 # Not possible to calculate enthalpy of reaction MnV2O6 # Enthalpy of formation: -447.9 kcal/mol Mo - Mo +1.5000 O2 +1.0000 H2O = + 1.0000 MoO4-- + 2.0000 H+ - log_k 109.3230 - -delta_H -693.845 kJ/mol # Calculated enthalpy of reaction Mo + Mo + 1.5 O2 + H2O = MoO4-2 + 2 H+ + log_k 109.323 + -delta_H -693.845 kJ/mol # Calculated enthalpy of reaction Mo # Enthalpy of formation: 0 kJ/mol - -analytic -2.0021e+002 -8.3006e-002 4.1629e+004 8.0219e+001 -3.4570e+005 + -analytic -2.0021e+2 -8.3006e-2 4.1629e+4 8.0219e+1 -3.457e+5 # -Range: 0-300 MoSe2 - MoSe2 +3.0000 H2O +0.5000 O2 = + 1.0000 MoO4-- + 2.0000 Se-- + 6.0000 H+ - log_k -55.1079 - -delta_H 0 # Not possible to calculate enthalpy of reaction MoSe2 + MoSe2 + 3 H2O + 0.5 O2 = MoO4-2 + 2 Se-2 + 6 H+ + log_k -55.1079 + -delta_H 0 # Not possible to calculate enthalpy of reaction MoSe2 # Enthalpy of formation: -47 kcal/mol - -analytic 1.3882e+002 -1.8590e-003 -1.7231e+004 -5.4797e+001 -2.9265e+002 + -analytic 1.3882e+2 -1.859e-3 -1.7231e+4 -5.4797e+1 -2.9265e+2 # -Range: 0-200 Modderite - CoAs +3.0000 H+ = + 1.0000 AsH3 + 1.0000 Co+++ - log_k -49.5512 - -delta_H 189.016 kJ/mol # Calculated enthalpy of reaction Modderite + CoAs + 3 H+ = AsH3 + Co+3 + log_k -49.5512 + -delta_H 189.016 kJ/mol # Calculated enthalpy of reaction Modderite # Enthalpy of formation: -12.208 kcal/mol Molysite - FeCl3 = + 1.0000 Fe+++ + 3.0000 Cl- - log_k 13.5517 - -delta_H -151.579 kJ/mol # Calculated enthalpy of reaction Molysite + FeCl3 = Fe+3 + 3 Cl- + log_k 13.5517 + -delta_H -151.579 kJ/mol # Calculated enthalpy of reaction Molysite # Enthalpy of formation: -399.24 kJ/mol - -analytic -3.1810e+002 -1.2357e-001 1.3860e+004 1.3010e+002 2.1637e+002 + -analytic -3.181e+2 -1.2357e-1 1.386e+4 1.301e+2 2.1637e+2 # -Range: 0-300 Monohydrocalcite - CaCO3:H2O +1.0000 H+ = + 1.0000 Ca++ + 1.0000 H2O + 1.0000 HCO3- - log_k 2.6824 - -delta_H -20.5648 kJ/mol # Calculated enthalpy of reaction Monohydrocalcite + CaCO3:H2O + H+ = Ca+2 + H2O + HCO3- + log_k 2.6824 + -delta_H -20.5648 kJ/mol # Calculated enthalpy of reaction Monohydrocalcite # Enthalpy of formation: -1498.29 kJ/mol - -analytic -7.2614e+001 -1.7217e-002 3.1850e+003 2.8185e+001 5.4111e+001 + -analytic -7.2614e+1 -1.7217e-2 3.185e+3 2.8185e+1 5.4111e+1 # -Range: 0-200 Monteponite - CdO +2.0000 H+ = + 1.0000 Cd++ + 1.0000 H2O - log_k 15.0972 - -delta_H -103.386 kJ/mol # Calculated enthalpy of reaction Monteponite + CdO + 2 H+ = Cd+2 + H2O + log_k 15.0972 + -delta_H -103.386 kJ/mol # Calculated enthalpy of reaction Monteponite # Enthalpy of formation: -258.35 kJ/mol - -analytic -5.0057e+001 -6.3629e-003 7.0898e+003 1.7486e+001 1.2041e+002 + -analytic -5.0057e+1 -6.3629e-3 7.0898e+3 1.7486e+1 1.2041e+2 # -Range: 0-200 Monticellite - CaMgSiO4 +4.0000 H+ = + 1.0000 Ca++ + 1.0000 Mg++ + 1.0000 SiO2 + 2.0000 H2O - log_k 29.5852 - -delta_H -195.711 kJ/mol # Calculated enthalpy of reaction Monticellite + CaMgSiO4 + 4 H+ = Ca+2 + Mg+2 + SiO2 + 2 H2O + log_k 29.5852 + -delta_H -195.711 kJ/mol # Calculated enthalpy of reaction Monticellite # Enthalpy of formation: -540.8 kcal/mol - -analytic 1.5730e+001 -3.5567e-003 9.0789e+003 -6.3007e+000 1.4166e+002 + -analytic 1.573e+1 -3.5567e-3 9.0789e+3 -6.3007e+0 1.4166e+2 # -Range: 0-300 Montmor-Ca - Ca.165Mg.33Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.1650 Ca++ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2 - log_k 2.4952 - -delta_H -100.154 kJ/mol # Calculated enthalpy of reaction Montmor-Ca + Ca.165Mg.33Al1.67Si4O10(OH)2 + 6 H+ = 0.165 Ca+2 + 0.33 Mg+2 + 1.67 Al+3 + 4 H2O + 4 SiO2 + log_k 2.4952 + -delta_H -100.154 kJ/mol # Calculated enthalpy of reaction Montmor-Ca # Enthalpy of formation: -1361.5 kcal/mol - -analytic 6.0725e+000 1.0644e-002 1.6024e+004 -1.6334e+001 -1.7982e+006 + -analytic 6.0725e+0 1.0644e-2 1.6024e+4 -1.6334e+1 -1.7982e+6 # -Range: 0-300 Montmor-Cs - Cs.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.3300 Cs+ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2 - log_k 1.9913 - -delta_H -87.2259 kJ/mol # Calculated enthalpy of reaction Montmor-Cs + Cs.33Mg.33Al1.67Si4O10(OH)2 + 6 H+ = 0.33 Cs+ + 0.33 Mg+2 + 1.67 Al+3 + 4 H2O + 4 SiO2 + log_k 1.9913 + -delta_H -87.2259 kJ/mol # Calculated enthalpy of reaction Montmor-Cs # Enthalpy of formation: -1363.52 kcal/mol - -analytic 9.9136e+000 1.2496e-002 1.5650e+004 -1.7601e+001 -1.8434e+006 + -analytic 9.9136e+0 1.2496e-2 1.565e+4 -1.7601e+1 -1.8434e+6 # -Range: 0-300 Montmor-K - K.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.3300 K+ + 0.3300 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2 - log_k 2.1423 - -delta_H -88.184 kJ/mol # Calculated enthalpy of reaction Montmor-K + K.33Mg.33Al1.67Si4O10(OH)2 + 6 H+ = 0.33 K+ + 0.33 Mg+2 + 1.67 Al+3 + 4 H2O + 4 SiO2 + log_k 2.1423 + -delta_H -88.184 kJ/mol # Calculated enthalpy of reaction Montmor-K # Enthalpy of formation: -1362.83 kcal/mol - -analytic 8.4757e+000 1.1219e-002 1.5654e+004 -1.6833e+001 -1.8386e+006 + -analytic 8.4757e+0 1.1219e-2 1.5654e+4 -1.6833e+1 -1.8386e+6 # -Range: 0-300 Montmor-Mg - Mg.495Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.4950 Mg++ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2 - log_k 2.3879 - -delta_H -102.608 kJ/mol # Calculated enthalpy of reaction Montmor-Mg + Mg.495Al1.67Si4O10(OH)2 + 6 H+ = 0.495 Mg+2 + 1.67 Al+3 + 4 H2O + 4 SiO2 + log_k 2.3879 + -delta_H -102.608 kJ/mol # Calculated enthalpy of reaction Montmor-Mg # Enthalpy of formation: -1357.87 kcal/mol - -analytic -6.8505e+000 9.0710e-003 1.6817e+004 -1.1887e+001 -1.8323e+006 + -analytic -6.8505e+0 9.071e-3 1.6817e+4 -1.1887e+1 -1.8323e+6 # -Range: 0-300 Montmor-Na - Na.33Mg.33Al1.67Si4O10(OH)2 +6.0000 H+ = + 0.3300 Mg++ + 0.3300 Na+ + 1.6700 Al+++ + 4.0000 H2O + 4.0000 SiO2 - log_k 2.4844 - -delta_H -93.2165 kJ/mol # Calculated enthalpy of reaction Montmor-Na + Na.33Mg.33Al1.67Si4O10(OH)2 + 6 H+ = 0.33 Mg+2 + 0.33 Na+ + 1.67 Al+3 + 4 H2O + 4 SiO2 + log_k 2.4844 + -delta_H -93.2165 kJ/mol # Calculated enthalpy of reaction Montmor-Na # Enthalpy of formation: -1360.69 kcal/mol - -analytic 1.9601e+000 1.1342e-002 1.6051e+004 -1.4718e+001 -1.8160e+006 + -analytic 1.9601e+0 1.1342e-2 1.6051e+4 -1.4718e+1 -1.816e+6 # -Range: 0-300 Montroydite - HgO +2.0000 H+ = + 1.0000 H2O + 1.0000 Hg++ - log_k 2.4486 - -delta_H -24.885 kJ/mol # Calculated enthalpy of reaction Montroydite + HgO + 2 H+ = H2O + Hg+2 + log_k 2.4486 + -delta_H -24.885 kJ/mol # Calculated enthalpy of reaction Montroydite # Enthalpy of formation: -90.79 kJ/mol - -analytic -8.7302e+001 -1.7618e-002 4.0086e+003 3.2957e+001 6.2576e+001 + -analytic -8.7302e+1 -1.7618e-2 4.0086e+3 3.2957e+1 6.2576e+1 # -Range: 0-300 Mordenite - Ca.2895Na.361Al.94Si5.06O12:3.468H2O +3.7600 H+ = + 0.2895 Ca++ + 0.3610 Na+ + 0.9400 Al+++ + 5.0600 SiO2 + 5.3480 H2O - log_k -5.1969 - -delta_H 16.7517 kJ/mol # Calculated enthalpy of reaction Mordenite + Ca.2895Na.361Al.94Si5.06O12:3.468H2O + 3.76 H+ = 0.2895 Ca+2 + 0.361 Na+ + 0.94 Al+3 + 5.06 SiO2 + 5.348 H2O + log_k -5.1969 + -delta_H 16.7517 kJ/mol # Calculated enthalpy of reaction Mordenite # Enthalpy of formation: -6736.64 kJ/mol - -analytic -5.4675e+001 3.2513e-002 2.3412e+004 -1.0419e+000 -3.2292e+006 + -analytic -5.4675e+1 3.2513e-2 2.3412e+4 -1.0419e+0 -3.2292e+6 # -Range: 0-300 Mordenite-dehy - Ca.2895Na.361Al.94Si5.06O12 +3.7600 H+ = + 0.2895 Ca++ + 0.3610 Na+ + 0.9400 Al+++ + 1.8800 H2O + 5.0600 SiO2 - log_k 9.9318 - -delta_H -86.159 kJ/mol # Calculated enthalpy of reaction Mordenite-dehy + Ca.2895Na.361Al.94Si5.06O12 + 3.76 H+ = 0.2895 Ca+2 + 0.361 Na+ + 0.94 Al+3 + 1.88 H2O + 5.06 SiO2 + log_k 9.9318 + -delta_H -86.159 kJ/mol # Calculated enthalpy of reaction Mordenite-dehy # Enthalpy of formation: -5642.44 kJ/mol - -analytic -5.0841e+001 2.5405e-002 2.7621e+004 -1.6331e+000 -3.1618e+006 + -analytic -5.0841e+1 2.5405e-2 2.7621e+4 -1.6331e+0 -3.1618e+6 # -Range: 0-300 Morenosite - NiSO4:7H2O = + 1.0000 Ni++ + 1.0000 SO4-- + 7.0000 H2O - log_k -2.0140 - -delta_H 12.0185 kJ/mol # Calculated enthalpy of reaction Morenosite + NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O + log_k -2.014 + -delta_H 12.0185 kJ/mol # Calculated enthalpy of reaction Morenosite # Enthalpy of formation: -2976.46 kJ/mol - -analytic -2.6654e+002 -7.2132e-002 6.7983e+003 1.0636e+002 1.0616e+002 + -analytic -2.6654e+2 -7.2132e-2 6.7983e+3 1.0636e+2 1.0616e+2 # -Range: 0-300 Muscovite - KAl3Si3O10(OH)2 +10.0000 H+ = + 1.0000 K+ + 3.0000 Al+++ + 3.0000 SiO2 + 6.0000 H2O - log_k 13.5858 - -delta_H -243.224 kJ/mol # Calculated enthalpy of reaction Muscovite + KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 SiO2 + 6 H2O + log_k 13.5858 + -delta_H -243.224 kJ/mol # Calculated enthalpy of reaction Muscovite # Enthalpy of formation: -1427.41 kcal/mol - -analytic 3.3085e+001 -1.2425e-002 1.2477e+004 -2.0865e+001 -5.4692e+005 + -analytic 3.3085e+1 -1.2425e-2 1.2477e+4 -2.0865e+1 -5.4692e+5 # -Range: 0-300 NH4HSe - NH4HSe = + 1.0000 NH3 + 1.0000 Se-- + 2.0000 H+ - log_k -22.0531 - -delta_H 0 # Not possible to calculate enthalpy of reaction NH4HSe + NH4HSe = NH3 + Se-2 + 2 H+ + log_k -22.0531 + -delta_H 0 # Not possible to calculate enthalpy of reaction NH4HSe # Enthalpy of formation: -133.041 kJ/mol - -analytic -8.8685e+000 6.7342e-003 -5.3028e+003 1.0468e+000 -9.0046e+001 + -analytic -8.8685e+0 6.7342e-3 -5.3028e+3 1.0468e+0 -9.0046e+1 # -Range: 0-200 Na - Na +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Na+ - log_k 67.3804 - -delta_H -380.185 kJ/mol # Calculated enthalpy of reaction Na + Na + H+ + 0.25 O2 = 0.5 H2O + Na+ + log_k 67.3804 + -delta_H -380.185 kJ/mol # Calculated enthalpy of reaction Na # Enthalpy of formation: 0 kJ/mol - -analytic -4.0458e+001 -8.7899e-003 2.1223e+004 1.5927e+001 -1.2715e+004 + -analytic -4.0458e+1 -8.7899e-3 2.1223e+4 1.5927e+1 -1.2715e+4 # -Range: 0-300 Na2CO3 - Na2CO3 +1.0000 H+ = + 1.0000 HCO3- + 2.0000 Na+ - log_k 11.1822 - -delta_H -39.8526 kJ/mol # Calculated enthalpy of reaction Na2CO3 + Na2CO3 + H+ = HCO3- + 2 Na+ + log_k 11.1822 + -delta_H -39.8526 kJ/mol # Calculated enthalpy of reaction Na2CO3 # Enthalpy of formation: -1130.68 kJ/mol - -analytic -1.5495e+002 -4.3374e-002 6.4821e+003 6.3571e+001 1.0119e+002 + -analytic -1.5495e+2 -4.3374e-2 6.4821e+3 6.3571e+1 1.0119e+2 # -Range: 0-300 Na2CO3:7H2O - Na2CO3:7H2O +1.0000 H+ = + 1.0000 HCO3- + 2.0000 Na+ + 7.0000 H2O - log_k 9.9459 - -delta_H 27.7881 kJ/mol # Calculated enthalpy of reaction Na2CO3:7H2O + Na2CO3:7H2O + H+ = HCO3- + 2 Na+ + 7 H2O + log_k 9.9459 + -delta_H 27.7881 kJ/mol # Calculated enthalpy of reaction Na2CO3:7H2O # Enthalpy of formation: -3199.19 kJ/mol - -analytic -2.0593e+002 -3.4509e-003 8.1601e+003 7.6594e+001 1.3864e+002 + -analytic -2.0593e+2 -3.4509e-3 8.1601e+3 7.6594e+1 1.3864e+2 # -Range: 0-200 Na2Cr2O7 - Na2Cr2O7 +1.0000 H2O = + 2.0000 CrO4-- + 2.0000 H+ + 2.0000 Na+ - log_k -10.1597 - -delta_H 21.9702 kJ/mol # Calculated enthalpy of reaction Na2Cr2O7 + Na2Cr2O7 + H2O = 2 CrO4-2 + 2 H+ + 2 Na+ + log_k -10.1597 + -delta_H 21.9702 kJ/mol # Calculated enthalpy of reaction Na2Cr2O7 # Enthalpy of formation: -473 kcal/mol - -analytic 4.4885e+001 -2.4919e-002 -5.0321e+003 -1.2430e+001 -8.5468e+001 + -analytic 4.4885e+1 -2.4919e-2 -5.0321e+3 -1.243e+1 -8.5468e+1 # -Range: 0-200 Na2CrO4 - Na2CrO4 = + 1.0000 CrO4-- + 2.0000 Na+ - log_k 2.9103 - -delta_H -19.5225 kJ/mol # Calculated enthalpy of reaction Na2CrO4 + Na2CrO4 = CrO4-2 + 2 Na+ + log_k 2.9103 + -delta_H -19.5225 kJ/mol # Calculated enthalpy of reaction Na2CrO4 # Enthalpy of formation: -320.8 kcal/mol - -analytic 5.4985e+000 -9.9008e-003 1.0510e+002 0.0000e+000 0.0000e+000 + -analytic 5.4985e+0 -9.9008e-3 1.051e+2 0e+0 0e+0 # -Range: 0-200 Na2O - Na2O +2.0000 H+ = + 1.0000 H2O + 2.0000 Na+ - log_k 67.4269 - -delta_H -351.636 kJ/mol # Calculated enthalpy of reaction Na2O + Na2O + 2 H+ = H2O + 2 Na+ + log_k 67.4269 + -delta_H -351.636 kJ/mol # Calculated enthalpy of reaction Na2O # Enthalpy of formation: -99.14 kcal/mol - -analytic -6.3585e+001 -8.4695e-003 2.0923e+004 2.5601e+001 3.2651e+002 + -analytic -6.3585e+1 -8.4695e-3 2.0923e+4 2.5601e+1 3.2651e+2 # -Range: 0-300 Na2Se - Na2Se = + 1.0000 Se-- + 2.0000 Na+ - log_k 11.8352 - -delta_H 0 # Not possible to calculate enthalpy of reaction Na2Se + Na2Se = Se-2 + 2 Na+ + log_k 11.8352 + -delta_H 0 # Not possible to calculate enthalpy of reaction Na2Se # Enthalpy of formation: -81.9 kcal/mol - -analytic -6.0070e+000 8.2821e-003 4.5816e+003 0.0000e+000 0.0000e+000 + -analytic -6.007e+0 8.2821e-3 4.5816e+3 0e+0 0e+0 # -Range: 0-200 Na2Se2 - Na2Se2 +1.0000 H2O = + 0.5000 O2 + 2.0000 H+ + 2.0000 Na+ + 2.0000 Se-- - log_k -61.3466 - -delta_H 0 # Not possible to calculate enthalpy of reaction Na2Se2 + Na2Se2 + H2O = 0.5 O2 + 2 H+ + 2 Na+ + 2 Se-2 + log_k -61.3466 + -delta_H 0 # Not possible to calculate enthalpy of reaction Na2Se2 # Enthalpy of formation: -92.8 kcal/mol - -analytic -2.7836e+001 7.7035e-003 -1.5040e+004 5.9131e+000 -2.5539e+002 + -analytic -2.7836e+1 7.7035e-3 -1.504e+4 5.9131e+0 -2.5539e+2 # -Range: 0-200 Na2SiO3 - Na2SiO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 SiO2 + 2.0000 Na+ - log_k 22.2418 - -delta_H -82.7093 kJ/mol # Calculated enthalpy of reaction Na2SiO3 + Na2SiO3 + 2 H+ = H2O + SiO2 + 2 Na+ + log_k 22.2418 + -delta_H -82.7093 kJ/mol # Calculated enthalpy of reaction Na2SiO3 # Enthalpy of formation: -373.19 kcal/mol - -analytic -3.4928e+001 5.6905e-003 1.0284e+004 1.1197e+001 -6.0134e+005 + -analytic -3.4928e+1 5.6905e-3 1.0284e+4 1.1197e+1 -6.0134e+5 # -Range: 0-300 Na2U2O7 - Na2U2O7 +6.0000 H+ = + 2.0000 Na+ + 2.0000 UO2++ + 3.0000 H2O - log_k 22.5917 - -delta_H -172.314 kJ/mol # Calculated enthalpy of reaction Na2U2O7 + Na2U2O7 + 6 H+ = 2 Na+ + 2 UO2+2 + 3 H2O + log_k 22.5917 + -delta_H -172.314 kJ/mol # Calculated enthalpy of reaction Na2U2O7 # Enthalpy of formation: -3203.8 kJ/mol - -analytic -8.6640e+001 -1.0903e-002 1.1841e+004 2.9406e+001 1.8479e+002 + -analytic -8.664e+1 -1.0903e-2 1.1841e+4 2.9406e+1 1.8479e+2 # -Range: 0-300 Na2UO4(alpha) - Na2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 Na+ - log_k 30.0231 - -delta_H -173.576 kJ/mol # Calculated enthalpy of reaction Na2UO4(alpha) + Na2UO4 + 4 H+ = UO2+2 + 2 H2O + 2 Na+ + log_k 30.0231 + -delta_H -173.576 kJ/mol # Calculated enthalpy of reaction Na2UO4(alpha) # Enthalpy of formation: -1897.7 kJ/mol - -analytic -7.9767e+001 -1.0253e-002 1.1963e+004 2.9386e+001 1.8669e+002 + -analytic -7.9767e+1 -1.0253e-2 1.1963e+4 2.9386e+1 1.8669e+2 # -Range: 0-300 Na3H(SO4)2 - Na3H(SO4)2 = + 1.0000 H+ + 2.0000 SO4-- + 3.0000 Na+ - log_k -0.8906 - -delta_H 0 # Not possible to calculate enthalpy of reaction Na3H(SO4)2 + Na3H(SO4)2 = H+ + 2 SO4-2 + 3 Na+ + log_k -0.8906 + -delta_H 0 # Not possible to calculate enthalpy of reaction Na3H(SO4)2 # Enthalpy of formation: 0 kcal/mol Na3UO4 - Na3UO4 +4.0000 H+ = + 1.0000 UO2+ + 2.0000 H2O + 3.0000 Na+ - log_k 56.2574 - -delta_H -293.703 kJ/mol # Calculated enthalpy of reaction Na3UO4 + Na3UO4 + 4 H+ = UO2+ + 2 H2O + 3 Na+ + log_k 56.2574 + -delta_H -293.703 kJ/mol # Calculated enthalpy of reaction Na3UO4 # Enthalpy of formation: -2024 kJ/mol - -analytic -9.6724e+001 -6.2485e-003 1.9469e+004 3.6180e+001 3.0382e+002 + -analytic -9.6724e+1 -6.2485e-3 1.9469e+4 3.618e+1 3.0382e+2 # -Range: 0-300 Na4Ca(SO4)3:2H2O - Na4Ca(SO4)3:2H2O = + 1.0000 Ca++ + 2.0000 H2O + 3.0000 SO4-- + 4.0000 Na+ - log_k -5.8938 - -delta_H 0 # Not possible to calculate enthalpy of reaction Na4Ca(SO4)3:2H2O + Na4Ca(SO4)3:2H2O = Ca+2 + 2 H2O + 3 SO4-2 + 4 Na+ + log_k -5.8938 + -delta_H 0 # Not possible to calculate enthalpy of reaction Na4Ca(SO4)3:2H2O # Enthalpy of formation: 0 kcal/mol Na4SiO4 - Na4SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 4.0000 Na+ - log_k 70.6449 - -delta_H -327.779 kJ/mol # Calculated enthalpy of reaction Na4SiO4 + Na4SiO4 + 4 H+ = SiO2 + 2 H2O + 4 Na+ + log_k 70.6449 + -delta_H -327.779 kJ/mol # Calculated enthalpy of reaction Na4SiO4 # Enthalpy of formation: -497.8 kcal/mol - -analytic -1.1969e+002 -6.5032e-003 2.6469e+004 4.4626e+001 -6.2007e+005 + -analytic -1.1969e+2 -6.5032e-3 2.6469e+4 4.4626e+1 -6.2007e+5 # -Range: 0-300 Na4UO2(CO3)3 - Na4UO2(CO3)3 +3.0000 H+ = + 1.0000 UO2++ + 3.0000 HCO3- + 4.0000 Na+ - log_k 4.0395 - -delta_H 0 # Not possible to calculate enthalpy of reaction Na4UO2(CO3)3 + Na4UO2(CO3)3 + 3 H+ = UO2+2 + 3 HCO3- + 4 Na+ + log_k 4.0395 + -delta_H 0 # Not possible to calculate enthalpy of reaction Na4UO2(CO3)3 # Enthalpy of formation: 0 kcal/mol Na6Si2O7 - Na6Si2O7 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 H2O + 6.0000 Na+ - log_k 101.6199 - -delta_H -471.951 kJ/mol # Calculated enthalpy of reaction Na6Si2O7 + Na6Si2O7 + 6 H+ = 2 SiO2 + 3 H2O + 6 Na+ + log_k 101.6199 + -delta_H -471.951 kJ/mol # Calculated enthalpy of reaction Na6Si2O7 # Enthalpy of formation: -856.3 kcal/mol - -analytic -1.0590e+002 4.5576e-003 3.6830e+004 3.8030e+001 -1.0276e+006 + -analytic -1.059e+2 4.5576e-3 3.683e+4 3.803e+1 -1.0276e+6 # -Range: 0-300 NaBr - NaBr = + 1.0000 Br- + 1.0000 Na+ - log_k 2.9739 - -delta_H -0.741032 kJ/mol # Calculated enthalpy of reaction NaBr + NaBr = Br- + Na+ + log_k 2.9739 + -delta_H -0.741032 kJ/mol # Calculated enthalpy of reaction NaBr # Enthalpy of formation: -361.062 kJ/mol - -analytic -9.3227e+001 -3.2780e-002 2.2910e+003 3.9713e+001 3.5777e+001 + -analytic -9.3227e+1 -3.278e-2 2.291e+3 3.9713e+1 3.5777e+1 # -Range: 0-300 NaBr:2H2O - NaBr:2H2O = + 1.0000 Br- + 1.0000 Na+ + 2.0000 H2O - log_k 2.1040 - -delta_H 18.4883 kJ/mol # Calculated enthalpy of reaction NaBr:2H2O + NaBr:2H2O = Br- + Na+ + 2 H2O + log_k 2.104 + -delta_H 18.4883 kJ/mol # Calculated enthalpy of reaction NaBr:2H2O # Enthalpy of formation: -951.968 kJ/mol - -analytic -4.1855e+001 -4.6170e-003 8.3883e+002 1.7182e+001 1.4259e+001 + -analytic -4.1855e+1 -4.617e-3 8.3883e+2 1.7182e+1 1.4259e+1 # -Range: 0-200 NaFeO2 - NaFeO2 +4.0000 H+ = + 1.0000 Fe+++ + 1.0000 Na+ + 2.0000 H2O - log_k 19.8899 - -delta_H -163.339 kJ/mol # Calculated enthalpy of reaction NaFeO2 + NaFeO2 + 4 H+ = Fe+3 + Na+ + 2 H2O + log_k 19.8899 + -delta_H -163.339 kJ/mol # Calculated enthalpy of reaction NaFeO2 # Enthalpy of formation: -698.218 kJ/mol - -analytic -7.0047e+001 -9.6226e-003 1.0647e+004 2.3071e+001 1.8082e+002 + -analytic -7.0047e+1 -9.6226e-3 1.0647e+4 2.3071e+1 1.8082e+2 # -Range: 0-200 NaNpO2CO3:3.5H2O - NaNpO2CO3:3.5H2O +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Na+ + 1.0000 NpO2+ + 3.5000 H2O - log_k -1.2342 - -delta_H 27.0979 kJ/mol # Calculated enthalpy of reaction NaNpO2CO3:3.5H2O + NaNpO2CO3:3.5H2O + H+ = HCO3- + Na+ + NpO2+ + 3.5 H2O + log_k -1.2342 + -delta_H 27.0979 kJ/mol # Calculated enthalpy of reaction NaNpO2CO3:3.5H2O # Enthalpy of formation: -2935.76 kJ/mol - -analytic -1.4813e+002 -2.7355e-002 3.6537e+003 5.7701e+001 5.7055e+001 + -analytic -1.4813e+2 -2.7355e-2 3.6537e+3 5.7701e+1 5.7055e+1 # -Range: 0-300 NaTcO4 - NaTcO4 = + 1.0000 Na+ + 1.0000 TcO4- - log_k 1.5208 - -delta_H 0 # Not possible to calculate enthalpy of reaction NaTcO4 + NaTcO4 = Na+ + TcO4- + log_k 1.5208 + -delta_H 0 # Not possible to calculate enthalpy of reaction NaTcO4 # Enthalpy of formation: 0 kcal/mol NaUO3 - NaUO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 Na+ + 1.0000 UO2+ - log_k 8.3371 - -delta_H -56.365 kJ/mol # Calculated enthalpy of reaction NaUO3 + NaUO3 + 2 H+ = H2O + Na+ + UO2+ + log_k 8.3371 + -delta_H -56.365 kJ/mol # Calculated enthalpy of reaction NaUO3 # Enthalpy of formation: -1494.9 kJ/mol - -analytic -3.6363e+001 7.0505e-004 4.5359e+003 1.1828e+001 7.0790e+001 + -analytic -3.6363e+1 7.0505e-4 4.5359e+3 1.1828e+1 7.079e+1 # -Range: 0-300 Nahcolite - NaHCO3 = + 1.0000 HCO3- + 1.0000 Na+ - log_k -0.1118 - -delta_H 17.0247 kJ/mol # Calculated enthalpy of reaction Nahcolite + NaHCO3 = HCO3- + Na+ + log_k -0.1118 + -delta_H 17.0247 kJ/mol # Calculated enthalpy of reaction Nahcolite # Enthalpy of formation: -226.4 kcal/mol - -analytic -2.2282e+002 -5.9693e-002 5.4887e+003 8.9744e+001 8.5712e+001 + -analytic -2.2282e+2 -5.9693e-2 5.4887e+3 8.9744e+1 8.5712e+1 # -Range: 0-300 Nantokite - CuCl = + 1.0000 Cl- + 1.0000 Cu+ - log_k -6.7623 - -delta_H 41.9296 kJ/mol # Calculated enthalpy of reaction Nantokite + CuCl = Cl- + Cu+ + log_k -6.7623 + -delta_H 41.9296 kJ/mol # Calculated enthalpy of reaction Nantokite # Enthalpy of formation: -137.329 kJ/mol - -analytic -2.2442e+001 -1.1201e-002 -1.8709e+003 1.0221e+001 -3.1763e+001 + -analytic -2.2442e+1 -1.1201e-2 -1.8709e+3 1.0221e+1 -3.1763e+1 # -Range: 0-200 Natrolite - Na2Al2Si3O10:2H2O +8.0000 H+ = + 2.0000 Al+++ + 2.0000 Na+ + 3.0000 SiO2 + 6.0000 H2O - log_k 18.5204 - -delta_H -186.971 kJ/mol # Calculated enthalpy of reaction Natrolite + Na2Al2Si3O10:2H2O + 8 H+ = 2 Al+3 + 2 Na+ + 3 SiO2 + 6 H2O + log_k 18.5204 + -delta_H -186.971 kJ/mol # Calculated enthalpy of reaction Natrolite # Enthalpy of formation: -5718.56 kJ/mol - -analytic -2.7712e+001 -2.7963e-003 1.6075e+004 1.5332e+000 -9.5765e+005 + -analytic -2.7712e+1 -2.7963e-3 1.6075e+4 1.5332e+0 -9.5765e+5 # -Range: 0-300 Natron - Na2CO3:10H2O +1.0000 H+ = + 1.0000 HCO3- + 2.0000 Na+ + 10.0000 H2O - log_k 9.6102 - -delta_H 50.4781 kJ/mol # Calculated enthalpy of reaction Natron + Na2CO3:10H2O + H+ = HCO3- + 2 Na+ + 10 H2O + log_k 9.6102 + -delta_H 50.4781 kJ/mol # Calculated enthalpy of reaction Natron # Enthalpy of formation: -4079.39 kJ/mol - -analytic -1.9981e+002 -2.9247e-002 5.2937e+003 8.0973e+001 8.2662e+001 + -analytic -1.9981e+2 -2.9247e-2 5.2937e+3 8.0973e+1 8.2662e+1 # -Range: 0-300 Natrosilite - Na2Si2O5 +2.0000 H+ = + 1.0000 H2O + 2.0000 Na+ + 2.0000 SiO2 - log_k 18.1337 - -delta_H -51.7686 kJ/mol # Calculated enthalpy of reaction Natrosilite + Na2Si2O5 + 2 H+ = H2O + 2 Na+ + 2 SiO2 + log_k 18.1337 + -delta_H -51.7686 kJ/mol # Calculated enthalpy of reaction Natrosilite # Enthalpy of formation: -590.36 kcal/mol - -analytic -2.7628e+001 1.6865e-002 1.3302e+004 4.2356e+000 -1.2828e+006 + -analytic -2.7628e+1 1.6865e-2 1.3302e+4 4.2356e+0 -1.2828e+6 # -Range: 0-300 Naumannite - Ag2Se = + 1.0000 Se-- + 2.0000 Ag+ - log_k -57.4427 - -delta_H 0 # Not possible to calculate enthalpy of reaction Naumannite + Ag2Se = Se-2 + 2 Ag+ + log_k -57.4427 + -delta_H 0 # Not possible to calculate enthalpy of reaction Naumannite # Enthalpy of formation: -37.441 kJ/mol - -analytic -5.3844e+001 -1.0965e-002 -1.4739e+004 1.9842e+001 -2.2998e+002 + -analytic -5.3844e+1 -1.0965e-2 -1.4739e+4 1.9842e+1 -2.2998e+2 # -Range: 0-300 Nd - Nd +3.0000 H+ +0.7500 O2 = + 1.0000 Nd+++ + 1.5000 H2O - log_k 182.2233 - -delta_H -1116.29 kJ/mol # Calculated enthalpy of reaction Nd + Nd + 3 H+ + 0.75 O2 = Nd+3 + 1.5 H2O + log_k 182.2233 + -delta_H -1116.29 kJ/mol # Calculated enthalpy of reaction Nd # Enthalpy of formation: 0 kJ/mol - -analytic -2.7390e+002 -5.6545e-002 7.1502e+004 9.7969e+001 -8.2482e+005 + -analytic -2.739e+2 -5.6545e-2 7.1502e+4 9.7969e+1 -8.2482e+5 # -Range: 0-300 Nd(OH)3 - Nd(OH)3 +3.0000 H+ = + 1.0000 Nd+++ + 3.0000 H2O - log_k 18.0852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3 + Nd(OH)3 + 3 H+ = Nd+3 + 3 H2O + log_k 18.0852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3 # Enthalpy of formation: 0 kcal/mol Nd(OH)3(am) - Nd(OH)3 +3.0000 H+ = + 1.0000 Nd+++ + 3.0000 H2O - log_k 20.4852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3(am) + Nd(OH)3 + 3 H+ = Nd+3 + 3 H2O + log_k 20.4852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3(am) # Enthalpy of formation: 0 kcal/mol Nd(OH)3(c) - Nd(OH)3 +3.0000 H+ = + 1.0000 Nd+++ + 3.0000 H2O - log_k 15.7852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3(c) + Nd(OH)3 + 3 H+ = Nd+3 + 3 H2O + log_k 15.7852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd(OH)3(c) # Enthalpy of formation: 0 kcal/mol Nd2(CO3)3 - Nd2(CO3)3 +3.0000 H+ = + 2.0000 Nd+++ + 3.0000 HCO3- - log_k -3.6636 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd2(CO3)3 + Nd2(CO3)3 + 3 H+ = 2 Nd+3 + 3 HCO3- + log_k -3.6636 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd2(CO3)3 # Enthalpy of formation: 0 kcal/mol Nd2O3 - Nd2O3 +6.0000 H+ = + 2.0000 Nd+++ + 3.0000 H2O - log_k 58.6000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Nd2O3 + Nd2O3 + 6 H+ = 2 Nd+3 + 3 H2O + log_k 58.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction Nd2O3 # Enthalpy of formation: 0 kcal/mol NdF3:.5H2O - NdF3:.5H2O = + 0.5000 H2O + 1.0000 Nd+++ + 3.0000 F- - log_k -18.6000 - -delta_H 0 # Not possible to calculate enthalpy of reaction NdF3:.5H2O + NdF3:.5H2O = 0.5 H2O + Nd+3 + 3 F- + log_k -18.6 + -delta_H 0 # Not possible to calculate enthalpy of reaction NdF3:.5H2O # Enthalpy of formation: 0 kcal/mol NdOHCO3 - NdOHCO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Nd+++ - log_k 2.8239 - -delta_H 0 # Not possible to calculate enthalpy of reaction NdOHCO3 + NdOHCO3 + 2 H+ = H2O + HCO3- + Nd+3 + log_k 2.8239 + -delta_H 0 # Not possible to calculate enthalpy of reaction NdOHCO3 # Enthalpy of formation: 0 kcal/mol NdPO4:10H2O - NdPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Nd+++ + 10.0000 H2O - log_k -12.1782 - -delta_H 0 # Not possible to calculate enthalpy of reaction NdPO4:10H2O + NdPO4:10H2O + H+ = HPO4-2 + Nd+3 + 10 H2O + log_k -12.1782 + -delta_H 0 # Not possible to calculate enthalpy of reaction NdPO4:10H2O # Enthalpy of formation: 0 kcal/mol Nepheline - NaAlSiO4 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Na+ + 1.0000 SiO2 + 2.0000 H2O - log_k 13.8006 - -delta_H -135.068 kJ/mol # Calculated enthalpy of reaction Nepheline + NaAlSiO4 + 4 H+ = Al+3 + Na+ + SiO2 + 2 H2O + log_k 13.8006 + -delta_H -135.068 kJ/mol # Calculated enthalpy of reaction Nepheline # Enthalpy of formation: -500.241 kcal/mol - -analytic -2.4856e+001 -8.8171e-003 8.5653e+003 6.0904e+000 -2.2786e+005 + -analytic -2.4856e+1 -8.8171e-3 8.5653e+3 6.0904e+0 -2.2786e+5 # -Range: 0-300 Nesquehonite - MgCO3:3H2O +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Mg++ + 3.0000 H2O - log_k 4.9955 - -delta_H -36.1498 kJ/mol # Calculated enthalpy of reaction Nesquehonite + MgCO3:3H2O + H+ = HCO3- + Mg+2 + 3 H2O + log_k 4.9955 + -delta_H -36.1498 kJ/mol # Calculated enthalpy of reaction Nesquehonite # Enthalpy of formation: -472.576 kcal/mol - -analytic 1.3771e+002 -6.0397e-002 -3.5049e+004 -1.8831e+001 4.4213e+006 + -analytic 1.3771e+2 -6.0397e-2 -3.5049e+4 -1.8831e+1 4.4213e+6 # -Range: 0-300 Ni - Ni +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Ni++ - log_k 50.9914 - -delta_H -333.745 kJ/mol # Calculated enthalpy of reaction Ni + Ni + 2 H+ + 0.5 O2 = H2O + Ni+2 + log_k 50.9914 + -delta_H -333.745 kJ/mol # Calculated enthalpy of reaction Ni # Enthalpy of formation: 0 kcal/mol - -analytic -5.8308e+001 -2.0133e-002 1.8444e+004 2.1590e+001 2.8781e+002 + -analytic -5.8308e+1 -2.0133e-2 1.8444e+4 2.159e+1 2.8781e+2 # -Range: 0-300 Ni(OH)2 - Ni(OH)2 +2.0000 H+ = + 1.0000 Ni++ + 2.0000 H2O - log_k 12.7485 - -delta_H -95.6523 kJ/mol # Calculated enthalpy of reaction Ni(OH)2 + Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O + log_k 12.7485 + -delta_H -95.6523 kJ/mol # Calculated enthalpy of reaction Ni(OH)2 # Enthalpy of formation: -529.998 kJ/mol - -analytic -6.5279e+001 -5.9499e-003 7.3471e+003 2.2290e+001 1.2479e+002 + -analytic -6.5279e+1 -5.9499e-3 7.3471e+3 2.229e+1 1.2479e+2 # -Range: 0-200 Ni2P2O7 - Ni2P2O7 +1.0000 H2O = + 2.0000 HPO4-- + 2.0000 Ni++ - log_k -8.8991 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ni2P2O7 + Ni2P2O7 + H2O = 2 HPO4-2 + 2 Ni+2 + log_k -8.8991 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ni2P2O7 # Enthalpy of formation: 0 kcal/mol Ni2SiO4 - Ni2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Ni++ - log_k 14.3416 - -delta_H -127.629 kJ/mol # Calculated enthalpy of reaction Ni2SiO4 + Ni2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Ni+2 + log_k 14.3416 + -delta_H -127.629 kJ/mol # Calculated enthalpy of reaction Ni2SiO4 # Enthalpy of formation: -341.705 kcal/mol - -analytic -4.0414e+001 -1.1194e-002 9.6515e+003 1.2026e+001 -3.6336e+005 + -analytic -4.0414e+1 -1.1194e-2 9.6515e+3 1.2026e+1 -3.6336e+5 # -Range: 0-300 Ni3(PO4)2 - Ni3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Ni++ - log_k -6.6414 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ni3(PO4)2 + Ni3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Ni+2 + log_k -6.6414 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ni3(PO4)2 # Enthalpy of formation: 0 kcal/mol NiCO3 - NiCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Ni++ - log_k 3.5118 - -delta_H 0 # Not possible to calculate enthalpy of reaction NiCO3 + NiCO3 + H+ = HCO3- + Ni+2 + log_k 3.5118 + -delta_H 0 # Not possible to calculate enthalpy of reaction NiCO3 # Enthalpy of formation: 0 kcal/mol NiCl2 - NiCl2 = + 1.0000 Ni++ + 2.0000 Cl- - log_k 8.6113 - -delta_H -82.7969 kJ/mol # Calculated enthalpy of reaction NiCl2 + NiCl2 = Ni+2 + 2 Cl- + log_k 8.6113 + -delta_H -82.7969 kJ/mol # Calculated enthalpy of reaction NiCl2 # Enthalpy of formation: -305.336 kJ/mol - -analytic -1.2416e+000 -2.3139e-002 2.6529e+003 3.1696e+000 4.5052e+001 + -analytic -1.2416e+0 -2.3139e-2 2.6529e+3 3.1696e+0 4.5052e+1 # -Range: 0-200 NiCl2:2H2O - NiCl2:2H2O = + 1.0000 Ni++ + 2.0000 Cl- + 2.0000 H2O - log_k 3.9327 - -delta_H -37.6746 kJ/mol # Calculated enthalpy of reaction NiCl2:2H2O + NiCl2:2H2O = Ni+2 + 2 Cl- + 2 H2O + log_k 3.9327 + -delta_H -37.6746 kJ/mol # Calculated enthalpy of reaction NiCl2:2H2O # Enthalpy of formation: -922.135 kJ/mol - -analytic -4.8814e+001 -2.2602e-002 2.5951e+003 2.0518e+001 4.4086e+001 + -analytic -4.8814e+1 -2.2602e-2 2.5951e+3 2.0518e+1 4.4086e+1 # -Range: 0-200 NiCl2:4H2O - NiCl2:4H2O = + 1.0000 Ni++ + 2.0000 Cl- + 4.0000 H2O - log_k 3.8561 - -delta_H -15.4373 kJ/mol # Calculated enthalpy of reaction NiCl2:4H2O + NiCl2:4H2O = Ni+2 + 2 Cl- + 4 H2O + log_k 3.8561 + -delta_H -15.4373 kJ/mol # Calculated enthalpy of reaction NiCl2:4H2O # Enthalpy of formation: -1516.05 kJ/mol - -analytic -1.0545e+002 -2.4691e-002 3.9978e+003 4.1727e+001 6.7926e+001 + -analytic -1.0545e+2 -2.4691e-2 3.9978e+3 4.1727e+1 6.7926e+1 # -Range: 0-200 NiF2 - NiF2 = + 1.0000 Ni++ + 2.0000 F- - log_k 0.8772 - -delta_H -73.1438 kJ/mol # Calculated enthalpy of reaction NiF2 + NiF2 = Ni+2 + 2 F- + log_k 0.8772 + -delta_H -73.1438 kJ/mol # Calculated enthalpy of reaction NiF2 # Enthalpy of formation: -651.525 kJ/mol - -analytic -2.5291e+002 -8.4179e-002 9.3429e+003 1.0002e+002 1.4586e+002 + -analytic -2.5291e+2 -8.4179e-2 9.3429e+3 1.0002e+2 1.4586e+2 # -Range: 0-300 NiF2:4H2O - NiF2:4H2O = + 1.0000 Ni++ + 2.0000 F- + 4.0000 H2O - log_k -4.0588 - -delta_H 0 # Not possible to calculate enthalpy of reaction NiF2:4H2O + NiF2:4H2O = Ni+2 + 2 F- + 4 H2O + log_k -4.0588 + -delta_H 0 # Not possible to calculate enthalpy of reaction NiF2:4H2O # Enthalpy of formation: 0 kcal/mol NiSO4 - NiSO4 = + 1.0000 Ni++ + 1.0000 SO4-- - log_k 5.3197 - -delta_H -90.5092 kJ/mol # Calculated enthalpy of reaction NiSO4 + NiSO4 = Ni+2 + SO4-2 + log_k 5.3197 + -delta_H -90.5092 kJ/mol # Calculated enthalpy of reaction NiSO4 # Enthalpy of formation: -873.066 kJ/mol - -analytic -1.8878e+002 -7.6403e-002 7.9412e+003 7.6866e+001 1.2397e+002 + -analytic -1.8878e+2 -7.6403e-2 7.9412e+3 7.6866e+1 1.2397e+2 # -Range: 0-300 NiSO4:6H2O(alpha) - NiSO4:6H2O = + 1.0000 Ni++ + 1.0000 SO4-- + 6.0000 H2O - log_k -2.0072 - -delta_H 4.37983 kJ/mol # Calculated enthalpy of reaction NiSO4:6H2O(alpha) + NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O + log_k -2.0072 + -delta_H 4.37983 kJ/mol # Calculated enthalpy of reaction NiSO4:6H2O(alpha) # Enthalpy of formation: -2682.99 kJ/mol - -analytic -1.1937e+002 -1.3785e-002 4.1543e+003 4.3454e+001 7.0587e+001 + -analytic -1.1937e+2 -1.3785e-2 4.1543e+3 4.3454e+1 7.0587e+1 # -Range: 0-200 Nickelbischofite - NiCl2:6H2O = + 1.0000 Ni++ + 2.0000 Cl- + 6.0000 H2O - log_k 3.1681 - -delta_H 0.064088 kJ/mol # Calculated enthalpy of reaction Nickelbischofite + NiCl2:6H2O = Ni+2 + 2 Cl- + 6 H2O + log_k 3.1681 + -delta_H 0.064088 kJ/mol # Calculated enthalpy of reaction Nickelbischofite # Enthalpy of formation: -2103.23 kJ/mol - -analytic -1.4340e+002 -2.1257e-002 5.1858e+003 5.4759e+001 8.8112e+001 + -analytic -1.434e+2 -2.1257e-2 5.1858e+3 5.4759e+1 8.8112e+1 # -Range: 0-200 Ningyoite - CaUP2O8:2H2O +2.0000 H+ = + 1.0000 Ca++ + 1.0000 U++++ + 2.0000 H2O + 2.0000 HPO4-- - log_k -29.7931 - -delta_H -36.4769 kJ/mol # Calculated enthalpy of reaction Ningyoite + CaUP2O8:2H2O + 2 H+ = Ca+2 + U+4 + 2 H2O + 2 HPO4-2 + log_k -29.7931 + -delta_H -36.4769 kJ/mol # Calculated enthalpy of reaction Ningyoite # Enthalpy of formation: -1016.65 kcal/mol - -analytic -1.0274e+002 -4.9041e-002 1.7779e+003 3.2973e+001 3.0227e+001 + -analytic -1.0274e+2 -4.9041e-2 1.7779e+3 3.2973e+1 3.0227e+1 # -Range: 0-200 Niter - KNO3 = + 1.0000 K+ + 1.0000 NO3- - log_k -0.2061 - -delta_H 35.4794 kJ/mol # Calculated enthalpy of reaction Niter + KNO3 = K+ + NO3- + log_k -0.2061 + -delta_H 35.4794 kJ/mol # Calculated enthalpy of reaction Niter # Enthalpy of formation: -494.46 kJ/mol - -analytic -6.5607e+001 -2.8165e-002 -4.0131e+002 3.0361e+001 -6.2425e+000 + -analytic -6.5607e+1 -2.8165e-2 -4.0131e+2 3.0361e+1 -6.2425e+0 # -Range: 0-300 Nitrobarite - Ba(NO3)2 = + 1.0000 Ba++ + 2.0000 NO3- - log_k -2.4523 - -delta_H 40.8161 kJ/mol # Calculated enthalpy of reaction Nitrobarite + Ba(NO3)2 = Ba+2 + 2 NO3- + log_k -2.4523 + -delta_H 40.8161 kJ/mol # Calculated enthalpy of reaction Nitrobarite # Enthalpy of formation: -992.082 kJ/mol - -analytic -1.6179e+002 -6.5831e-002 1.2142e+003 7.0664e+001 1.8995e+001 + -analytic -1.6179e+2 -6.5831e-2 1.2142e+3 7.0664e+1 1.8995e+1 # -Range: 0-300 Nontronite-Ca - Ca.165Fe2Al.33Si3.67H2O12 +7.3200 H+ = + 0.1650 Ca++ + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O - log_k -11.5822 - -delta_H -38.138 kJ/mol # Calculated enthalpy of reaction Nontronite-Ca + Ca.165Fe2Al.33Si3.67H2O12 + 7.32 H+ = 0.165 Ca+2 + 0.33 Al+3 + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O + log_k -11.5822 + -delta_H -38.138 kJ/mol # Calculated enthalpy of reaction Nontronite-Ca # Enthalpy of formation: -1166.7 kcal/mol - -analytic 1.6291e+001 4.3557e-003 1.0221e+004 -1.8690e+001 -1.5427e+006 + -analytic 1.6291e+1 4.3557e-3 1.0221e+4 -1.869e+1 -1.5427e+6 # -Range: 0-300 Nontronite-Cs - Cs.33Si4Fe1.67Mg.33H2O12 +6.0000 H+ = + 0.3300 Cs+ + 0.3300 Mg++ + 1.6700 Fe+++ + 4.0000 H2O + 4.0000 SiO2 - log_k 5.7975 - -delta_H -86.6996 kJ/mol # Calculated enthalpy of reaction Nontronite-Cs + Cs.33Si4Fe1.67Mg.33H2O12 + 6 H+ = 0.33 Cs+ + 0.33 Mg+2 + 1.67 Fe+3 + 4 H2O + 4 SiO2 + log_k 5.7975 + -delta_H -86.6996 kJ/mol # Calculated enthalpy of reaction Nontronite-Cs # Enthalpy of formation: -1168.54 kcal/mol - -analytic -1.1646e+001 1.0033e-002 1.7668e+004 -9.0129e+000 -2.0143e+006 + -analytic -1.1646e+1 1.0033e-2 1.7668e+4 -9.0129e+0 -2.0143e+6 # -Range: 0-300 Nontronite-H - H.33Fe2Al.33Si3.67H2O12 +6.9900 H+ = + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O - log_k -12.5401 - -delta_H -30.452 kJ/mol # Calculated enthalpy of reaction Nontronite-H + H.33Fe2Al.33Si3.67H2O12 + 6.99 H+ = 0.33 Al+3 + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O + log_k -12.5401 + -delta_H -30.452 kJ/mol # Calculated enthalpy of reaction Nontronite-H # Enthalpy of formation: -1147.12 kcal/mol - -analytic 9.7794e+001 1.4055e-002 4.7440e+003 -4.7272e+001 -1.2103e+006 + -analytic 9.7794e+1 1.4055e-2 4.744e+3 -4.7272e+1 -1.2103e+6 # -Range: 0-300 Nontronite-K - K.33Fe2Al.33Si3.67H2O12 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 K+ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O - log_k -11.8648 - -delta_H -26.5822 kJ/mol # Calculated enthalpy of reaction Nontronite-K + K.33Fe2Al.33Si3.67H2O12 + 7.32 H+ = 0.33 Al+3 + 0.33 K+ + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O + log_k -11.8648 + -delta_H -26.5822 kJ/mol # Calculated enthalpy of reaction Nontronite-K # Enthalpy of formation: -1167.93 kcal/mol - -analytic 1.3630e+001 4.7708e-003 1.0073e+004 -1.7407e+001 -1.5803e+006 + -analytic 1.363e+1 4.7708e-3 1.0073e+4 -1.7407e+1 -1.5803e+6 # -Range: 0-300 Nontronite-Mg - Mg.165Fe2Al.33Si3.67H2O12 +7.3200 H+ = + 0.1650 Mg++ + 0.3300 Al+++ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O - log_k -11.6200 - -delta_H -41.1779 kJ/mol # Calculated enthalpy of reaction Nontronite-Mg + Mg.165Fe2Al.33Si3.67H2O12 + 7.32 H+ = 0.165 Mg+2 + 0.33 Al+3 + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O + log_k -11.62 + -delta_H -41.1779 kJ/mol # Calculated enthalpy of reaction Nontronite-Mg # Enthalpy of formation: -1162.93 kcal/mol - -analytic 5.5961e+001 1.0139e-002 8.0777e+003 -3.3164e+001 -1.4031e+006 + -analytic 5.5961e+1 1.0139e-2 8.0777e+3 -3.3164e+1 -1.4031e+6 # -Range: 0-300 Nontronite-Na - Na.33Fe2Al.33Si3.67H2O12 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 Na+ + 2.0000 Fe+++ + 3.6700 SiO2 + 4.6600 H2O - log_k -11.5263 - -delta_H -31.5687 kJ/mol # Calculated enthalpy of reaction Nontronite-Na + Na.33Fe2Al.33Si3.67H2O12 + 7.32 H+ = 0.33 Al+3 + 0.33 Na+ + 2 Fe+3 + 3.67 SiO2 + 4.66 H2O + log_k -11.5263 + -delta_H -31.5687 kJ/mol # Calculated enthalpy of reaction Nontronite-Na # Enthalpy of formation: -1165.8 kcal/mol - -analytic 6.7915e+001 1.2851e-002 7.1218e+003 -3.7112e+001 -1.3758e+006 + -analytic 6.7915e+1 1.2851e-2 7.1218e+3 -3.7112e+1 -1.3758e+6 # -Range: 0-300 Np - Np +4.0000 H+ +1.0000 O2 = + 1.0000 Np++++ + 2.0000 H2O - log_k 174.1077 - -delta_H -1115.54 kJ/mol # Calculated enthalpy of reaction Np + Np + 4 H+ + O2 = Np+4 + 2 H2O + log_k 174.1077 + -delta_H -1115.54 kJ/mol # Calculated enthalpy of reaction Np # Enthalpy of formation: 0 kJ/mol - -analytic -3.2136e+001 -1.4340e-002 5.7853e+004 6.6512e+000 9.0275e+002 + -analytic -3.2136e+1 -1.434e-2 5.7853e+4 6.6512e+0 9.0275e+2 # -Range: 0-300 Np(HPO4)2 - Np(HPO4)2 = + 1.0000 Np++++ + 2.0000 HPO4-- - log_k -30.9786 - -delta_H -18.6219 kJ/mol # Calculated enthalpy of reaction Np(HPO4)2 + Np(HPO4)2 = Np+4 + 2 HPO4-2 + log_k -30.9786 + -delta_H -18.6219 kJ/mol # Calculated enthalpy of reaction Np(HPO4)2 # Enthalpy of formation: -3121.54 kJ/mol - -analytic -3.6627e+002 -1.3955e-001 7.1370e+003 1.4261e+002 1.1147e+002 + -analytic -3.6627e+2 -1.3955e-1 7.137e+3 1.4261e+2 1.1147e+2 # -Range: 0-300 Np(OH)4 - Np(OH)4 +4.0000 H+ = + 1.0000 Np++++ + 4.0000 H2O - log_k 0.8103 - -delta_H -78.4963 kJ/mol # Calculated enthalpy of reaction Np(OH)4 + Np(OH)4 + 4 H+ = Np+4 + 4 H2O + log_k 0.8103 + -delta_H -78.4963 kJ/mol # Calculated enthalpy of reaction Np(OH)4 # Enthalpy of formation: -1620.86 kJ/mol - -analytic -9.5122e+001 -1.0532e-002 7.1132e+003 3.0398e+001 1.1102e+002 + -analytic -9.5122e+1 -1.0532e-2 7.1132e+3 3.0398e+1 1.1102e+2 # -Range: 0-300 Np2O5 - Np2O5 +2.0000 H+ = + 1.0000 H2O + 2.0000 NpO2+ - log_k 9.5000 - -delta_H -94.4576 kJ/mol # Calculated enthalpy of reaction Np2O5 + Np2O5 + 2 H+ = H2O + 2 NpO2+ + log_k 9.5 + -delta_H -94.4576 kJ/mol # Calculated enthalpy of reaction Np2O5 # Enthalpy of formation: -513.232 kcal/mol - -analytic 5.9974e+003 1.4553e+000 -1.7396e+005 -2.3595e+003 -2.9689e+003 + -analytic 5.9974e+3 1.4553e+0 -1.7396e+5 -2.3595e+3 -2.9689e+3 # -Range: 25-150 NpO2 - NpO2 +4.0000 H+ = + 1.0000 Np++++ + 2.0000 H2O - log_k -7.8026 - -delta_H -53.6087 kJ/mol # Calculated enthalpy of reaction NpO2 + NpO2 + 4 H+ = Np+4 + 2 H2O + log_k -7.8026 + -delta_H -53.6087 kJ/mol # Calculated enthalpy of reaction NpO2 # Enthalpy of formation: -1074.07 kJ/mol - -analytic -7.0053e+001 -1.1017e-002 4.4742e+003 2.0421e+001 6.9836e+001 + -analytic -7.0053e+1 -1.1017e-2 4.4742e+3 2.0421e+1 6.9836e+1 # -Range: 0-300 NpO2(OH)2 - NpO2(OH)2 +2.0000 H+ = + 1.0000 NpO2++ + 2.0000 H2O - log_k 5.9851 - -delta_H -54.9977 kJ/mol # Calculated enthalpy of reaction NpO2(OH)2 + NpO2(OH)2 + 2 H+ = NpO2+2 + 2 H2O + log_k 5.9851 + -delta_H -54.9977 kJ/mol # Calculated enthalpy of reaction NpO2(OH)2 # Enthalpy of formation: -1377.16 kJ/mol - -analytic -2.7351e+001 -1.5987e-003 3.8301e+003 8.4735e+000 5.9773e+001 + -analytic -2.7351e+1 -1.5987e-3 3.8301e+3 8.4735e+0 5.9773e+1 # -Range: 0-300 NpO2OH(am) - NpO2OH +1.0000 H+ = + 1.0000 H2O + 1.0000 NpO2+ - log_k 4.2364 - -delta_H -39.6673 kJ/mol # Calculated enthalpy of reaction NpO2OH(am) + NpO2OH + H+ = H2O + NpO2+ + log_k 4.2364 + -delta_H -39.6673 kJ/mol # Calculated enthalpy of reaction NpO2OH(am) # Enthalpy of formation: -1224.16 kJ/mol - -analytic -3.8824e+000 6.7122e-003 2.5390e+003 -9.7040e-001 3.9619e+001 + -analytic -3.8824e+0 6.7122e-3 2.539e+3 -9.704e-1 3.9619e+1 # -Range: 0-300 Okenite - CaSi2O4(OH)2:H2O +2.0000 H+ = + 1.0000 Ca++ + 2.0000 SiO2 + 3.0000 H2O - log_k 10.3816 - -delta_H -19.4974 kJ/mol # Calculated enthalpy of reaction Okenite + CaSi2O4(OH)2:H2O + 2 H+ = Ca+2 + 2 SiO2 + 3 H2O + log_k 10.3816 + -delta_H -19.4974 kJ/mol # Calculated enthalpy of reaction Okenite # Enthalpy of formation: -749.641 kcal/mol - -analytic -7.7353e+001 1.5091e-002 1.3023e+004 2.1337e+001 -1.1831e+006 + -analytic -7.7353e+1 1.5091e-2 1.3023e+4 2.1337e+1 -1.1831e+6 # -Range: 0-300 Orpiment - As2S3 +6.0000 H2O = + 2.0000 H2AsO3- + 3.0000 HS- + 5.0000 H+ - log_k -79.4159 - -delta_H 406.539 kJ/mol # Calculated enthalpy of reaction Orpiment + As2S3 + 6 H2O = 2 H2AsO3- + 3 HS- + 5 H+ + log_k -79.4159 + -delta_H 406.539 kJ/mol # Calculated enthalpy of reaction Orpiment # Enthalpy of formation: -169.423 kJ/mol - -analytic -3.3964e+002 -1.4977e-001 -1.5711e+004 1.4448e+002 -2.4505e+002 + -analytic -3.3964e+2 -1.4977e-1 -1.5711e+4 1.4448e+2 -2.4505e+2 # -Range: 0-300 Otavite - CdCO3 +1.0000 H+ = + 1.0000 Cd++ + 1.0000 HCO3- - log_k -1.7712 - -delta_H 0 # Not possible to calculate enthalpy of reaction Otavite + CdCO3 + H+ = Cd+2 + HCO3- + log_k -1.7712 + -delta_H 0 # Not possible to calculate enthalpy of reaction Otavite # Enthalpy of formation: 0 kcal/mol Ottemannite - Sn2S3 +3.0000 H+ = + 1.0000 Sn++ + 1.0000 Sn++++ + 3.0000 HS- - log_k -46.2679 - -delta_H 236.727 kJ/mol # Calculated enthalpy of reaction Ottemannite + Sn2S3 + 3 H+ = Sn+2 + Sn+4 + 3 HS- + log_k -46.2679 + -delta_H 236.727 kJ/mol # Calculated enthalpy of reaction Ottemannite # Enthalpy of formation: -63 kcal/mol - -analytic -6.2863e+001 -5.9171e-002 -1.3469e+004 3.2092e+001 -2.2870e+002 + -analytic -6.2863e+1 -5.9171e-2 -1.3469e+4 3.2092e+1 -2.287e+2 # -Range: 0-200 Oxychloride-Mg - Mg2Cl(OH)3:4H2O +3.0000 H+ = + 1.0000 Cl- + 2.0000 Mg++ + 7.0000 H2O - log_k 25.8319 - -delta_H 0 # Not possible to calculate enthalpy of reaction Oxychloride-Mg + Mg2Cl(OH)3:4H2O + 3 H+ = Cl- + 2 Mg+2 + 7 H2O + log_k 25.8319 + -delta_H 0 # Not possible to calculate enthalpy of reaction Oxychloride-Mg # Enthalpy of formation: 0 kcal/mol P - P +1.5000 H2O +1.2500 O2 = + 1.0000 HPO4-- + 2.0000 H+ - log_k 132.1032 - -delta_H -848.157 kJ/mol # Calculated enthalpy of reaction P + P + 1.5 H2O + 1.25 O2 = HPO4-2 + 2 H+ + log_k 132.1032 + -delta_H -848.157 kJ/mol # Calculated enthalpy of reaction P # Enthalpy of formation: 0 kJ/mol - -analytic -9.2727e+001 -6.8342e-002 4.3465e+004 4.0156e+001 6.7826e+002 + -analytic -9.2727e+1 -6.8342e-2 4.3465e+4 4.0156e+1 6.7826e+2 # -Range: 0-300 Paragonite - NaAl3Si3O10(OH)2 +10.0000 H+ = + 1.0000 Na+ + 3.0000 Al+++ + 3.0000 SiO2 + 6.0000 H2O - log_k 17.5220 - -delta_H -275.056 kJ/mol # Calculated enthalpy of reaction Paragonite + NaAl3Si3O10(OH)2 + 10 H+ = Na+ + 3 Al+3 + 3 SiO2 + 6 H2O + log_k 17.522 + -delta_H -275.056 kJ/mol # Calculated enthalpy of reaction Paragonite # Enthalpy of formation: -1416.96 kcal/mol - -analytic 3.5507e+001 -1.0720e-002 1.3519e+004 -2.2283e+001 -4.5657e+005 + -analytic 3.5507e+1 -1.072e-2 1.3519e+4 -2.2283e+1 -4.5657e+5 # -Range: 0-300 Paralaurionite - PbClOH +1.0000 H+ = + 1.0000 Cl- + 1.0000 H2O + 1.0000 Pb++ - log_k 0.2035 - -delta_H 8.41948 kJ/mol # Calculated enthalpy of reaction Paralaurionite + PbClOH + H+ = Cl- + H2O + Pb+2 + log_k 0.2035 + -delta_H 8.41948 kJ/mol # Calculated enthalpy of reaction Paralaurionite # Enthalpy of formation: -460.417 kJ/mol - -analytic -1.1245e+001 -1.0520e-002 -5.3551e+002 6.6175e+000 -9.0896e+000 + -analytic -1.1245e+1 -1.052e-2 -5.3551e+2 6.6175e+0 -9.0896e+0 # -Range: 0-200 Pargasite - NaCa2Al3Mg4Si6O22(OH)2 +22.0000 H+ = + 1.0000 Na+ + 2.0000 Ca++ + 3.0000 Al+++ + 4.0000 Mg++ + 6.0000 SiO2 + 12.0000 H2O - log_k 101.9939 - -delta_H -880.205 kJ/mol # Calculated enthalpy of reaction Pargasite + NaCa2Al3Mg4Si6O22(OH)2 + 22 H+ = Na+ + 2 Ca+2 + 3 Al+3 + 4 Mg+2 + 6 SiO2 + 12 H2O + log_k 101.9939 + -delta_H -880.205 kJ/mol # Calculated enthalpy of reaction Pargasite # Enthalpy of formation: -3016.62 kcal/mol - -analytic -6.7889e+001 -3.7817e-002 5.0493e+004 9.2705e+000 -1.0163e+006 + -analytic -6.7889e+1 -3.7817e-2 5.0493e+4 9.2705e+0 -1.0163e+6 # -Range: 0-300 Parsonsite - Pb2UO2(PO4)2:2H2O +2.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 HPO4-- + 2.0000 Pb++ - log_k -27.7911 - -delta_H 0 # Not possible to calculate enthalpy of reaction Parsonsite + Pb2UO2(PO4)2:2H2O + 2 H+ = UO2+2 + 2 H2O + 2 HPO4-2 + 2 Pb+2 + log_k -27.7911 + -delta_H 0 # Not possible to calculate enthalpy of reaction Parsonsite # Enthalpy of formation: 0 kcal/mol Pb - Pb +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Pb++ - log_k 47.1871 - -delta_H -278.851 kJ/mol # Calculated enthalpy of reaction Pb + Pb + 2 H+ + 0.5 O2 = H2O + Pb+2 + log_k 47.1871 + -delta_H -278.851 kJ/mol # Calculated enthalpy of reaction Pb # Enthalpy of formation: 0 kJ/mol - -analytic -3.1784e+001 -1.4816e-002 1.4984e+004 1.3383e+001 2.3381e+002 + -analytic -3.1784e+1 -1.4816e-2 1.4984e+4 1.3383e+1 2.3381e+2 # -Range: 0-300 Pb(H2PO4)2 - Pb(H2PO4)2 = + 1.0000 Pb++ + 2.0000 H+ + 2.0000 HPO4-- - log_k -9.8400 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(H2PO4)2 + Pb(H2PO4)2 = Pb+2 + 2 H+ + 2 HPO4-2 + log_k -9.84 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(H2PO4)2 # Enthalpy of formation: 0 kcal/mol Pb(IO3)2 - Pb(IO3)2 = + 1.0000 Pb++ + 2.0000 IO3- - log_k -12.5173 - -delta_H 53.7783 kJ/mol # Calculated enthalpy of reaction Pb(IO3)2 + Pb(IO3)2 = Pb+2 + 2 IO3- + log_k -12.5173 + -delta_H 53.7783 kJ/mol # Calculated enthalpy of reaction Pb(IO3)2 # Enthalpy of formation: -495.525 kJ/mol - -analytic -5.3573e+000 -1.4164e-002 -3.6236e+003 3.7209e+000 -6.1532e+001 + -analytic -5.3573e+0 -1.4164e-2 -3.6236e+3 3.7209e+0 -6.1532e+1 # -Range: 0-200 Pb(N3)2(mono) - Pb(N3)2 = + 1.0000 Pb++ + 2.0000 N3- - log_k -8.3583 - -delta_H 72.9495 kJ/mol # Calculated enthalpy of reaction Pb(N3)2(mono) + Pb(N3)2 = Pb+2 + 2 N3- + log_k -8.3583 + -delta_H 72.9495 kJ/mol # Calculated enthalpy of reaction Pb(N3)2(mono) # Enthalpy of formation: 478.251 kJ/mol - -analytic 6.0051e+001 -1.1168e-002 -7.0041e+003 -1.6812e+001 -1.1896e+002 + -analytic 6.0051e+1 -1.1168e-2 -7.0041e+3 -1.6812e+1 -1.1896e+2 # -Range: 0-200 Pb(N3)2(orth) - Pb(N3)2 = + 1.0000 Pb++ + 2.0000 N3- - log_k -8.7963 - -delta_H 75.0615 kJ/mol # Calculated enthalpy of reaction Pb(N3)2(orth) + Pb(N3)2 = Pb+2 + 2 N3- + log_k -8.7963 + -delta_H 75.0615 kJ/mol # Calculated enthalpy of reaction Pb(N3)2(orth) # Enthalpy of formation: 476.139 kJ/mol - -analytic 5.9779e+001 -1.1215e-002 -7.1081e+003 -1.6732e+001 -1.2073e+002 + -analytic 5.9779e+1 -1.1215e-2 -7.1081e+3 -1.6732e+1 -1.2073e+2 # -Range: 0-200 Pb(Thiocyanate)2 - Pb(Thiocyanate)2 = + 1.0000 Pb++ + 2.0000 Thiocyanate- - log_k -0.0910 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(Thiocyanate)2 + Pb(Thiocyanate)2 = Pb+2 + 2 Thiocyanate- + log_k -0.091 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb(Thiocyanate)2 # Enthalpy of formation: 151.212 kJ/mol - -analytic 7.4247e+000 -1.6226e-002 0.0000e+000 0.0000e+000 -2.3938e+005 + -analytic 7.4247e+0 -1.6226e-2 0e+0 0e+0 -2.3938e+5 # -Range: 0-200 Pb2Cl2CO3 - Pb2Cl2CO3 +1.0000 H+ = + 1.0000 HCO3- + 2.0000 Cl- + 2.0000 Pb++ - log_k -9.6180 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb2Cl2CO3 + Pb2Cl2CO3 + H+ = HCO3- + 2 Cl- + 2 Pb+2 + log_k -9.618 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb2Cl2CO3 # Enthalpy of formation: 0 kcal/mol Pb2Cl5NH4 - Pb2Cl5NH4 = + 1.0000 H+ + 1.0000 NH3 + 2.0000 Pb++ + 5.0000 Cl- - log_k -19.6100 - -delta_H 119.617 kJ/mol # Calculated enthalpy of reaction Pb2Cl5NH4 + Pb2Cl5NH4 = H+ + NH3 + 2 Pb+2 + 5 Cl- + log_k -19.61 + -delta_H 119.617 kJ/mol # Calculated enthalpy of reaction Pb2Cl5NH4 # Enthalpy of formation: -1034.51 kJ/mol - -analytic 1.3149e+001 -4.8598e-002 -9.8473e+003 5.9552e+000 -1.6723e+002 + -analytic 1.3149e+1 -4.8598e-2 -9.8473e+3 5.9552e+0 -1.6723e+2 # -Range: 0-200 Pb2O(N3)2 - Pb2O(N3)2 +2.0000 H+ = + 1.0000 H2O + 2.0000 N3- + 2.0000 Pb++ - log_k -13.7066 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb2O(N3)2 + Pb2O(N3)2 + 2 H+ = H2O + 2 N3- + 2 Pb+2 + log_k -13.7066 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb2O(N3)2 # Enthalpy of formation: 0 kcal/mol Pb2SiO4 - Pb2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Pb++ - log_k 18.0370 - -delta_H -83.9883 kJ/mol # Calculated enthalpy of reaction Pb2SiO4 + Pb2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Pb+2 + log_k 18.037 + -delta_H -83.9883 kJ/mol # Calculated enthalpy of reaction Pb2SiO4 # Enthalpy of formation: -1363.55 kJ/mol - -analytic 2.7287e+002 6.3875e-002 -3.7001e+003 -1.0568e+002 -6.2927e+001 + -analytic 2.7287e+2 6.3875e-2 -3.7001e+3 -1.0568e+2 -6.2927e+1 # -Range: 0-200 Pb3(PO4)2 - Pb3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Pb++ - log_k -19.9744 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb3(PO4)2 + Pb3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Pb+2 + log_k -19.9744 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb3(PO4)2 # Enthalpy of formation: 0 kcal/mol Pb3SO6 - Pb3SO6 +4.0000 H+ = + 1.0000 SO4-- + 2.0000 H2O + 3.0000 Pb++ - log_k 10.5981 - -delta_H -79.3438 kJ/mol # Calculated enthalpy of reaction Pb3SO6 + Pb3SO6 + 4 H+ = SO4-2 + 2 H2O + 3 Pb+2 + log_k 10.5981 + -delta_H -79.3438 kJ/mol # Calculated enthalpy of reaction Pb3SO6 # Enthalpy of formation: -1399.17 kJ/mol - -analytic -5.3308e+000 -1.8639e-002 3.0245e+003 4.5760e+000 5.1362e+001 + -analytic -5.3308e+0 -1.8639e-2 3.0245e+3 4.576e+0 5.1362e+1 # -Range: 0-200 Pb4Cl2(OH)6 - Pb4Cl2(OH)6 +6.0000 H+ = + 2.0000 Cl- + 4.0000 Pb++ + 6.0000 H2O - log_k 17.2793 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb4Cl2(OH)6 + Pb4Cl2(OH)6 + 6 H+ = 2 Cl- + 4 Pb+2 + 6 H2O + log_k 17.2793 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb4Cl2(OH)6 # Enthalpy of formation: 0 kcal/mol Pb4O(PO4)2 - Pb4O(PO4)2 +4.0000 H+ = + 1.0000 H2O + 2.0000 HPO4-- + 4.0000 Pb++ - log_k -12.5727 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pb4O(PO4)2 + Pb4O(PO4)2 + 4 H+ = H2O + 2 HPO4-2 + 4 Pb+2 + log_k -12.5727 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pb4O(PO4)2 # Enthalpy of formation: 0 kcal/mol Pb4SO7 - Pb4SO7 +6.0000 H+ = + 1.0000 SO4-- + 3.0000 H2O + 4.0000 Pb++ - log_k 21.7354 - -delta_H -136.566 kJ/mol # Calculated enthalpy of reaction Pb4SO7 + Pb4SO7 + 6 H+ = SO4-2 + 3 H2O + 4 Pb+2 + log_k 21.7354 + -delta_H -136.566 kJ/mol # Calculated enthalpy of reaction Pb4SO7 # Enthalpy of formation: -1626.87 kJ/mol - -analytic -2.6884e+001 -2.1429e-002 6.8390e+003 1.2951e+001 1.1614e+002 + -analytic -2.6884e+1 -2.1429e-2 6.839e+3 1.2951e+1 1.1614e+2 # -Range: 0-200 PbBr2 - PbBr2 = + 1.0000 Pb++ + 2.0000 Br- - log_k -5.2413 - -delta_H 36.3838 kJ/mol # Calculated enthalpy of reaction PbBr2 + PbBr2 = Pb+2 + 2 Br- + log_k -5.2413 + -delta_H 36.3838 kJ/mol # Calculated enthalpy of reaction PbBr2 # Enthalpy of formation: -278.47 kJ/mol - -analytic 3.0977e+001 -1.6567e-002 -4.2879e+003 -6.8329e+000 -7.2825e+001 + -analytic 3.0977e+1 -1.6567e-2 -4.2879e+3 -6.8329e+0 -7.2825e+1 # -Range: 0-200 PbBrF - PbBrF = + 1.0000 Br- + 1.0000 F- + 1.0000 Pb++ - log_k -8.0418 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbBrF + PbBrF = Br- + F- + Pb+2 + log_k -8.0418 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbBrF # Enthalpy of formation: 0 kcal/mol PbCO3.PbO - PbCO3.PbO +3.0000 H+ = + 1.0000 H2O + 1.0000 HCO3- + 2.0000 Pb++ - log_k 9.6711 - -delta_H -55.4286 kJ/mol # Calculated enthalpy of reaction PbCO3.PbO + PbCO3PbO + 3 H+ = H2O + HCO3- + 2 Pb+2 + log_k 9.6711 + -delta_H -55.4286 kJ/mol # Calculated enthalpy of reaction PbCO3.PbO # Enthalpy of formation: -918.502 kJ/mol - -analytic -4.2160e+001 -1.4124e-002 3.8661e+003 1.7404e+001 6.5667e+001 + -analytic -4.216e+1 -1.4124e-2 3.8661e+3 1.7404e+1 6.5667e+1 # -Range: 0-200 PbF2 - PbF2 = + 1.0000 Pb++ + 2.0000 F- - log_k -5.2047 - -delta_H -5.83772 kJ/mol # Calculated enthalpy of reaction PbF2 + PbF2 = Pb+2 + 2 F- + log_k -5.2047 + -delta_H -5.83772 kJ/mol # Calculated enthalpy of reaction PbF2 # Enthalpy of formation: -663.937 kJ/mol - -analytic -2.2712e+002 -7.9552e-002 5.2198e+003 9.2173e+001 8.1516e+001 + -analytic -2.2712e+2 -7.9552e-2 5.2198e+3 9.2173e+1 8.1516e+1 # -Range: 0-300 PbFCl - PbFCl = + 1.0000 Cl- + 1.0000 F- + 1.0000 Pb++ - log_k -8.9820 - -delta_H 33.1852 kJ/mol # Calculated enthalpy of reaction PbFCl + PbFCl = Cl- + F- + Pb+2 + log_k -8.982 + -delta_H 33.1852 kJ/mol # Calculated enthalpy of reaction PbFCl # Enthalpy of formation: -534.692 kJ/mol - -analytic 6.1688e+000 -2.0732e-002 -3.4666e+003 1.0697e+000 -5.8869e+001 + -analytic 6.1688e+0 -2.0732e-2 -3.4666e+3 1.0697e+0 -5.8869e+1 # -Range: 0-200 PbHPO4 - PbHPO4 = + 1.0000 HPO4-- + 1.0000 Pb++ - log_k -15.7275 - -delta_H 0 # Not possible to calculate enthalpy of reaction PbHPO4 + PbHPO4 = HPO4-2 + Pb+2 + log_k -15.7275 + -delta_H 0 # Not possible to calculate enthalpy of reaction PbHPO4 # Enthalpy of formation: 0 kcal/mol PbI2 - PbI2 = + 1.0000 Pb++ + 2.0000 I- - log_k -8.0418 - -delta_H 62.5717 kJ/mol # Calculated enthalpy of reaction PbI2 + PbI2 = Pb+2 + 2 I- + log_k -8.0418 + -delta_H 62.5717 kJ/mol # Calculated enthalpy of reaction PbI2 # Enthalpy of formation: -175.456 kJ/mol - -analytic 1.5277e+001 -2.0582e-002 -5.1256e+003 0.0000e+000 0.0000e+000 + -analytic 1.5277e+1 -2.0582e-2 -5.1256e+3 0e+0 0e+0 # -Range: 0-200 PbSO4(NH3)2 - PbSO4(NH3)2 = + 1.0000 Pb++ + 1.0000 SO4-- + 2.0000 NH3 - log_k -2.0213 - -delta_H 28.284 kJ/mol # Calculated enthalpy of reaction PbSO4(NH3)2 + PbSO4(NH3)2 = Pb+2 + SO4-2 + 2 NH3 + log_k -2.0213 + -delta_H 28.284 kJ/mol # Calculated enthalpy of reaction PbSO4(NH3)2 # Enthalpy of formation: -1099.64 kJ/mol - -analytic 3.5718e-001 -1.0192e-002 -2.0095e+003 2.9853e+000 -3.4124e+001 + -analytic 3.5718e-1 -1.0192e-2 -2.0095e+3 2.9853e+0 -3.4124e+1 # -Range: 0-200 PbSO4(NH3)4 - PbSO4(NH3)4 = + 1.0000 Pb++ + 1.0000 SO4-- + 4.0000 NH3 - log_k 1.5024 - -delta_H 31.155 kJ/mol # Calculated enthalpy of reaction PbSO4(NH3)4 + PbSO4(NH3)4 = Pb+2 + SO4-2 + 4 NH3 + log_k 1.5024 + -delta_H 31.155 kJ/mol # Calculated enthalpy of reaction PbSO4(NH3)4 # Enthalpy of formation: -1265.18 kJ/mol - -analytic -4.1080e+001 -7.2307e-003 6.6637e+001 1.7984e+001 1.1460e+000 + -analytic -4.108e+1 -7.2307e-3 6.6637e+1 1.7984e+1 1.146e+0 # -Range: 0-200 PbSeO4 - PbSeO4 = + 1.0000 Pb++ + 1.0000 SeO4-- - log_k -6.9372 - -delta_H 10.8967 kJ/mol # Calculated enthalpy of reaction PbSeO4 + PbSeO4 = Pb+2 + SeO4-2 + log_k -6.9372 + -delta_H 10.8967 kJ/mol # Calculated enthalpy of reaction PbSeO4 # Enthalpy of formation: -609.125 kJ/mol - -analytic 3.1292e+001 -1.4192e-002 -3.0980e+003 -9.5448e+000 -5.2618e+001 + -analytic 3.1292e+1 -1.4192e-2 -3.098e+3 -9.5448e+0 -5.2618e+1 # -Range: 0-200 Pd - Pd +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Pd++ - log_k 12.0688 - -delta_H -103.709 kJ/mol # Calculated enthalpy of reaction Pd + Pd + 2 H+ + 0.5 O2 = H2O + Pd+2 + log_k 12.0688 + -delta_H -103.709 kJ/mol # Calculated enthalpy of reaction Pd # Enthalpy of formation: 0 kcal/mol - -analytic -6.2530e+001 -1.9774e-002 6.7013e+003 2.3441e+001 1.0459e+002 + -analytic -6.253e+1 -1.9774e-2 6.7013e+3 2.3441e+1 1.0459e+2 # -Range: 0-300 PdO - PdO +2.0000 H+ = + 1.0000 H2O + 1.0000 Pd++ - log_k 0.0643 - -delta_H -24.422 kJ/mol # Calculated enthalpy of reaction PdO + PdO + 2 H+ = H2O + Pd+2 + log_k 0.0643 + -delta_H -24.422 kJ/mol # Calculated enthalpy of reaction PdO # Enthalpy of formation: -20.4 kcal/mol - -analytic -8.8921e+001 -1.9031e-002 3.8537e+003 3.3028e+001 6.0159e+001 + -analytic -8.8921e+1 -1.9031e-2 3.8537e+3 3.3028e+1 6.0159e+1 # -Range: 0-300 Penroseite - NiSe2 +1.0000 H2O = + 0.5000 O2 + 1.0000 Ni++ + 2.0000 H+ + 2.0000 Se-- - log_k -98.8004 - -delta_H 0 # Not possible to calculate enthalpy of reaction Penroseite + NiSe2 + H2O = 0.5 O2 + Ni+2 + 2 H+ + 2 Se-2 + log_k -98.8004 + -delta_H 0 # Not possible to calculate enthalpy of reaction Penroseite # Enthalpy of formation: -26 kcal/mol - -analytic -4.7339e+001 -1.2035e-002 -2.3589e+004 1.2624e+001 -3.6808e+002 + -analytic -4.7339e+1 -1.2035e-2 -2.3589e+4 1.2624e+1 -3.6808e+2 # -Range: 0-300 Pentahydrite - MgSO4:5H2O = + 1.0000 Mg++ + 1.0000 SO4-- + 5.0000 H2O - log_k -1.3872 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pentahydrite + MgSO4:5H2O = Mg+2 + SO4-2 + 5 H2O + log_k -1.3872 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pentahydrite # Enthalpy of formation: 0 kcal/mol Periclase - MgO +2.0000 H+ = + 1.0000 H2O + 1.0000 Mg++ - log_k 21.3354 - -delta_H -150.139 kJ/mol # Calculated enthalpy of reaction Periclase + MgO + 2 H+ = H2O + Mg+2 + log_k 21.3354 + -delta_H -150.139 kJ/mol # Calculated enthalpy of reaction Periclase # Enthalpy of formation: -143.8 kcal/mol - -analytic -8.8465e+001 -1.8390e-002 1.0414e+004 3.2469e+001 1.6253e+002 + -analytic -8.8465e+1 -1.839e-2 1.0414e+4 3.2469e+1 1.6253e+2 # -Range: 0-300 Petalite - LiAlSi4O10 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Li+ + 2.0000 H2O + 4.0000 SiO2 - log_k -3.8153 - -delta_H -13.1739 kJ/mol # Calculated enthalpy of reaction Petalite + LiAlSi4O10 + 4 H+ = Al+3 + Li+ + 2 H2O + 4 SiO2 + log_k -3.8153 + -delta_H -13.1739 kJ/mol # Calculated enthalpy of reaction Petalite # Enthalpy of formation: -4886.15 kJ/mol - -analytic -6.6355e+000 2.4316e-002 1.5949e+004 -1.3341e+001 -2.2265e+006 + -analytic -6.6355e+0 2.4316e-2 1.5949e+4 -1.3341e+1 -2.2265e+6 # -Range: 0-300 Phlogopite - KAlMg3Si3O10(OH)2 +10.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 3.0000 Mg++ + 3.0000 SiO2 + 6.0000 H2O - log_k 37.4400 - -delta_H -310.503 kJ/mol # Calculated enthalpy of reaction Phlogopite + KAlMg3Si3O10(OH)2 + 10 H+ = Al+3 + K+ + 3 Mg+2 + 3 SiO2 + 6 H2O + log_k 37.44 + -delta_H -310.503 kJ/mol # Calculated enthalpy of reaction Phlogopite # Enthalpy of formation: -1488.07 kcal/mol - -analytic -8.7730e+001 -1.7253e-002 2.3748e+004 2.4465e+001 -8.9045e+005 + -analytic -8.773e+1 -1.7253e-2 2.3748e+4 2.4465e+1 -8.9045e+5 # -Range: 0-300 Phosgenite - Pb2(CO3)Cl2 +1.0000 H+ = + 1.0000 HCO3- + 2.0000 Cl- + 2.0000 Pb++ - log_k -9.6355 - -delta_H 49.0844 kJ/mol # Calculated enthalpy of reaction Phosgenite + Pb2(CO3)Cl2 + H+ = HCO3- + 2 Cl- + 2 Pb+2 + log_k -9.6355 + -delta_H 49.0844 kJ/mol # Calculated enthalpy of reaction Phosgenite # Enthalpy of formation: -1071.34 kJ/mol - -analytic 3.4909e+000 -2.9365e-002 -4.6327e+003 4.5068e+000 -7.8671e+001 + -analytic 3.4909e+0 -2.9365e-2 -4.6327e+3 4.5068e+0 -7.8671e+1 # -Range: 0-200 Picromerite - K2Mg(SO4)2:6H2O = + 1.0000 Mg++ + 2.0000 K+ + 2.0000 SO4-- + 6.0000 H2O - log_k -4.4396 - -delta_H 0 # Not possible to calculate enthalpy of reaction Picromerite + K2Mg(SO4)2:6H2O = Mg+2 + 2 K+ + 2 SO4-2 + 6 H2O + log_k -4.4396 + -delta_H 0 # Not possible to calculate enthalpy of reaction Picromerite # Enthalpy of formation: 0 kcal/mol Pirssonite - Na2Ca(CO3)2:2H2O +2.0000 H+ = + 1.0000 Ca++ + 2.0000 H2O + 2.0000 HCO3- + 2.0000 Na+ - log_k 11.3230 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pirssonite + Na2Ca(CO3)2:2H2O + 2 H+ = Ca+2 + 2 H2O + 2 HCO3- + 2 Na+ + log_k 11.323 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pirssonite # Enthalpy of formation: 0 kcal/mol Plattnerite - PbO2 +4.0000 H+ = + 1.0000 Pb++++ + 2.0000 H2O - log_k -7.9661 - -delta_H 0 # Not possible to calculate enthalpy of reaction Plattnerite + PbO2 + 4 H+ = Pb+4 + 2 H2O + log_k -7.9661 + -delta_H 0 # Not possible to calculate enthalpy of reaction Plattnerite # Enthalpy of formation: -277.363 kJ/mol Plumbogummite - PbAl3(PO4)2(OH)5:H2O +7.0000 H+ = + 1.0000 Pb++ + 2.0000 HPO4-- + 3.0000 Al+++ + 6.0000 H2O - log_k -8.1463 - -delta_H 0 # Not possible to calculate enthalpy of reaction Plumbogummite + PbAl3(PO4)2(OH)5:H2O + 7 H+ = Pb+2 + 2 HPO4-2 + 3 Al+3 + 6 H2O + log_k -8.1463 + -delta_H 0 # Not possible to calculate enthalpy of reaction Plumbogummite # Enthalpy of formation: 0 kcal/mol Pm - Pm +3.0000 H+ +0.7500 O2 = + 1.0000 Pm+++ + 1.5000 H2O - log_k 180.6737 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm + Pm + 3 H+ + 0.75 O2 = Pm+3 + 1.5 H2O + log_k 180.6737 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm # Enthalpy of formation: 0 kcal/mol Pm(OH)3 - Pm(OH)3 +3.0000 H+ = + 1.0000 Pm+++ + 3.0000 H2O - log_k 17.4852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3 + Pm(OH)3 + 3 H+ = Pm+3 + 3 H2O + log_k 17.4852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3 # Enthalpy of formation: 0 kcal/mol Pm(OH)3(am) - Pm(OH)3 +3.0000 H+ = + 1.0000 Pm+++ + 3.0000 H2O - log_k 18.2852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3(am) + Pm(OH)3 + 3 H+ = Pm+3 + 3 H2O + log_k 18.2852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm(OH)3(am) # Enthalpy of formation: 0 kcal/mol Pm2(CO3)3 - Pm2(CO3)3 +3.0000 H+ = + 2.0000 Pm+++ + 3.0000 HCO3- - log_k -3.5636 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm2(CO3)3 + Pm2(CO3)3 + 3 H+ = 2 Pm+3 + 3 HCO3- + log_k -3.5636 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm2(CO3)3 # Enthalpy of formation: 0 kcal/mol Pm2O3 - Pm2O3 +6.0000 H+ = + 2.0000 Pm+++ + 3.0000 H2O - log_k 48.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pm2O3 + Pm2O3 + 6 H+ = 2 Pm+3 + 3 H2O + log_k 48.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pm2O3 # Enthalpy of formation: 0 kcal/mol PmF3:.5H2O - PmF3:.5H2O = + 0.5000 H2O + 1.0000 Pm+++ + 3.0000 F- - log_k -18.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmF3:.5H2O + PmF3:.5H2O = 0.5 H2O + Pm+3 + 3 F- + log_k -18.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmF3:.5H2O # Enthalpy of formation: 0 kcal/mol PmPO4:10H2O - PmPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Pm+++ + 10.0000 H2O - log_k -12.1782 - -delta_H 0 # Not possible to calculate enthalpy of reaction PmPO4:10H2O + PmPO4:10H2O + H+ = HPO4-2 + Pm+3 + 10 H2O + log_k -12.1782 + -delta_H 0 # Not possible to calculate enthalpy of reaction PmPO4:10H2O # Enthalpy of formation: 0 kcal/mol Polydymite - Ni3S4 +2.0000 H+ = + 1.0000 S2-- + 2.0000 HS- + 3.0000 Ni++ - log_k -48.9062 - -delta_H 0 # Not possible to calculate enthalpy of reaction Polydymite + Ni3S4 + 2 H+ = S2-2 + 2 HS- + 3 Ni+2 + log_k -48.9062 + -delta_H 0 # Not possible to calculate enthalpy of reaction Polydymite # Enthalpy of formation: -78.014 kcal/mol - -analytic -1.8030e+001 -4.6945e-002 -1.1557e+004 8.8339e+000 -1.9625e+002 + -analytic -1.803e+1 -4.6945e-2 -1.1557e+4 8.8339e+0 -1.9625e+2 # -Range: 0-200 Polyhalite - K2MgCa2(SO4)4:2H2O = + 1.0000 Mg++ + 2.0000 Ca++ + 2.0000 H2O + 2.0000 K+ + 4.0000 SO4-- - log_k -14.3124 - -delta_H 0 # Not possible to calculate enthalpy of reaction Polyhalite + K2MgCa2(SO4)4:2H2O = Mg+2 + 2 Ca+2 + 2 H2O + 2 K+ + 4 SO4-2 + log_k -14.3124 + -delta_H 0 # Not possible to calculate enthalpy of reaction Polyhalite # Enthalpy of formation: 0 kcal/mol Portlandite - Ca(OH)2 +2.0000 H+ = + 1.0000 Ca++ + 2.0000 H2O - log_k 22.5552 - -delta_H -128.686 kJ/mol # Calculated enthalpy of reaction Portlandite + Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O + log_k 22.5552 + -delta_H -128.686 kJ/mol # Calculated enthalpy of reaction Portlandite # Enthalpy of formation: -986.074 kJ/mol - -analytic -8.3848e+001 -1.8373e-002 9.3154e+003 3.2584e+001 1.4538e+002 + -analytic -8.3848e+1 -1.8373e-2 9.3154e+3 3.2584e+1 1.4538e+2 # -Range: 0-300 Pr - Pr +3.0000 H+ +0.7500 O2 = + 1.0000 Pr+++ + 1.5000 H2O - log_k 183.6893 - -delta_H -1125.92 kJ/mol # Calculated enthalpy of reaction Pr + Pr + 3 H+ + 0.75 O2 = Pr+3 + 1.5 H2O + log_k 183.6893 + -delta_H -1125.92 kJ/mol # Calculated enthalpy of reaction Pr # Enthalpy of formation: 0 kJ/mol - -analytic -4.1136e+002 -7.5853e-002 7.9974e+004 1.4718e+002 -1.3148e+006 + -analytic -4.1136e+2 -7.5853e-2 7.9974e+4 1.4718e+2 -1.3148e+6 # -Range: 0-300 Pr(OH)3 - Pr(OH)3 +3.0000 H+ = + 1.0000 Pr+++ + 3.0000 H2O - log_k 19.5852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(OH)3 + Pr(OH)3 + 3 H+ = Pr+3 + 3 H2O + log_k 19.5852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(OH)3 # Enthalpy of formation: 0 kcal/mol Pr(OH)3(am) - Pr(OH)3 +3.0000 H+ = + 1.0000 Pr+++ + 3.0000 H2O - log_k 21.0852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(OH)3(am) + Pr(OH)3 + 3 H+ = Pr+3 + 3 H2O + log_k 21.0852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pr(OH)3(am) # Enthalpy of formation: 0 kcal/mol Pr2(CO3)3 - Pr2(CO3)3 +3.0000 H+ = + 2.0000 Pr+++ + 3.0000 HCO3- - log_k -3.8136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pr2(CO3)3 + Pr2(CO3)3 + 3 H+ = 2 Pr+3 + 3 HCO3- + log_k -3.8136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pr2(CO3)3 # Enthalpy of formation: 0 kcal/mol Pr2O3 - Pr2O3 +6.0000 H+ = + 2.0000 Pr+++ + 3.0000 H2O - log_k 61.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pr2O3 + Pr2O3 + 6 H+ = 2 Pr+3 + 3 H2O + log_k 61.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pr2O3 # Enthalpy of formation: 0 kcal/mol PrF3:.5H2O - PrF3:.5H2O = + 0.5000 H2O + 1.0000 Pr+++ + 3.0000 F- - log_k -18.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction PrF3:.5H2O + PrF3:.5H2O = 0.5 H2O + Pr+3 + 3 F- + log_k -18.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction PrF3:.5H2O # Enthalpy of formation: 0 kcal/mol PrPO4:10H2O - PrPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Pr+++ + 10.0000 H2O - log_k -12.2782 - -delta_H 0 # Not possible to calculate enthalpy of reaction PrPO4:10H2O + PrPO4:10H2O + H+ = HPO4-2 + Pr+3 + 10 H2O + log_k -12.2782 + -delta_H 0 # Not possible to calculate enthalpy of reaction PrPO4:10H2O # Enthalpy of formation: 0 kcal/mol Prehnite - Ca2Al2Si3O10(OH)2 +10.0000 H+ = + 2.0000 Al+++ + 2.0000 Ca++ + 3.0000 SiO2 + 6.0000 H2O - log_k 32.9305 - -delta_H -311.875 kJ/mol # Calculated enthalpy of reaction Prehnite + Ca2Al2Si3O10(OH)2 + 10 H+ = 2 Al+3 + 2 Ca+2 + 3 SiO2 + 6 H2O + log_k 32.9305 + -delta_H -311.875 kJ/mol # Calculated enthalpy of reaction Prehnite # Enthalpy of formation: -1481.65 kcal/mol - -analytic -3.5763e+001 -2.1396e-002 2.0167e+004 6.3554e+000 -7.4967e+005 + -analytic -3.5763e+1 -2.1396e-2 2.0167e+4 6.3554e+0 -7.4967e+5 # -Range: 0-300 Przhevalskite - Pb(UO2)2(PO4)2 +2.0000 H+ = + 1.0000 Pb++ + 2.0000 HPO4-- + 2.0000 UO2++ - log_k -20.0403 - -delta_H -71.1058 kJ/mol # Calculated enthalpy of reaction Przhevalskite + Pb(UO2)2(PO4)2 + 2 H+ = Pb+2 + 2 HPO4-2 + 2 UO2+2 + log_k -20.0403 + -delta_H -71.1058 kJ/mol # Calculated enthalpy of reaction Przhevalskite # Enthalpy of formation: -1087.51 kcal/mol - -analytic -2.9817e+001 -4.0756e-002 1.0077e+003 7.4885e+000 1.7122e+001 + -analytic -2.9817e+1 -4.0756e-2 1.0077e+3 7.4885e+0 1.7122e+1 # -Range: 0-200 Pseudowollastonite - CaSiO3 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 H2O + 1.0000 SiO2 - log_k 13.9997 - -delta_H -79.4625 kJ/mol # Calculated enthalpy of reaction Pseudowollastonite + CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2 + log_k 13.9997 + -delta_H -79.4625 kJ/mol # Calculated enthalpy of reaction Pseudowollastonite # Enthalpy of formation: -388.9 kcal/mol - -analytic 2.6691e+001 6.3323e-003 5.5723e+003 -1.1822e+001 -3.6038e+005 + -analytic 2.6691e+1 6.3323e-3 5.5723e+3 -1.1822e+1 -3.6038e+5 # -Range: 0-300 Pu - Pu +4.0000 H+ +1.0000 O2 = + 1.0000 Pu++++ + 2.0000 H2O - log_k 170.3761 - -delta_H -1095.44 kJ/mol # Calculated enthalpy of reaction Pu + Pu + 4 H+ + O2 = Pu+4 + 2 H2O + log_k 170.3761 + -delta_H -1095.44 kJ/mol # Calculated enthalpy of reaction Pu # Enthalpy of formation: 0 kJ/mol - -analytic -1.9321e+002 -3.4314e-002 6.6737e+004 6.3552e+001 -6.4737e+005 + -analytic -1.9321e+2 -3.4314e-2 6.6737e+4 6.3552e+1 -6.4737e+5 # -Range: 0-300 Pu(HPO4)2 - Pu(HPO4)2 = + 1.0000 Pu++++ + 2.0000 HPO4-- - log_k -27.7025 - -delta_H -33.4449 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)2 + Pu(HPO4)2 = Pu+4 + 2 HPO4-2 + log_k -27.7025 + -delta_H -33.4449 kJ/mol # Calculated enthalpy of reaction Pu(HPO4)2 # Enthalpy of formation: -3086.61 kJ/mol - -analytic -3.6565e+002 -1.3961e-001 7.9105e+003 1.4265e+002 1.2354e+002 + -analytic -3.6565e+2 -1.3961e-1 7.9105e+3 1.4265e+2 1.2354e+2 # -Range: 0-300 Pu(OH)3 - Pu(OH)3 +3.0000 H+ = + 1.0000 Pu+++ + 3.0000 H2O - log_k 22.4499 - -delta_H -148.067 kJ/mol # Calculated enthalpy of reaction Pu(OH)3 + Pu(OH)3 + 3 H+ = Pu+3 + 3 H2O + log_k 22.4499 + -delta_H -148.067 kJ/mol # Calculated enthalpy of reaction Pu(OH)3 # Enthalpy of formation: -1301 kJ/mol - -analytic -6.1342e+001 -8.6952e-003 9.7733e+003 2.1664e+001 1.5252e+002 + -analytic -6.1342e+1 -8.6952e-3 9.7733e+3 2.1664e+1 1.5252e+2 # -Range: 0-300 Pu(OH)4 - Pu(OH)4 +4.0000 H+ = + 1.0000 Pu++++ + 4.0000 H2O - log_k 0.7578 - -delta_H -68.6543 kJ/mol # Calculated enthalpy of reaction Pu(OH)4 + Pu(OH)4 + 4 H+ = Pu+4 + 4 H2O + log_k 0.7578 + -delta_H -68.6543 kJ/mol # Calculated enthalpy of reaction Pu(OH)4 # Enthalpy of formation: -1610.59 kJ/mol - -analytic -9.3473e+001 -1.0579e-002 6.5974e+003 3.0415e+001 1.0297e+002 + -analytic -9.3473e+1 -1.0579e-2 6.5974e+3 3.0415e+1 1.0297e+2 # -Range: 0-300 Pu2O3 - Pu2O3 +6.0000 H+ = + 2.0000 Pu+++ + 3.0000 H2O - log_k 48.1332 - -delta_H -360.26 kJ/mol # Calculated enthalpy of reaction Pu2O3 + Pu2O3 + 6 H+ = 2 Pu+3 + 3 H2O + log_k 48.1332 + -delta_H -360.26 kJ/mol # Calculated enthalpy of reaction Pu2O3 # Enthalpy of formation: -1680.36 kJ/mol - -analytic -8.7831e+001 -1.9784e-002 2.0832e+004 2.9096e+001 3.2509e+002 + -analytic -8.7831e+1 -1.9784e-2 2.0832e+4 2.9096e+1 3.2509e+2 # -Range: 0-300 PuF3 - PuF3 = + 1.0000 Pu+++ + 3.0000 F- - log_k -10.1872 - -delta_H -46.2608 kJ/mol # Calculated enthalpy of reaction PuF3 + PuF3 = Pu+3 + 3 F- + log_k -10.1872 + -delta_H -46.2608 kJ/mol # Calculated enthalpy of reaction PuF3 # Enthalpy of formation: -1551.33 kJ/mol - -analytic -3.1104e+002 -1.0854e-001 8.7435e+003 1.2279e+002 1.3653e+002 + -analytic -3.1104e+2 -1.0854e-1 8.7435e+3 1.2279e+2 1.3653e+2 # -Range: 0-300 PuF4 - PuF4 = + 1.0000 Pu++++ + 4.0000 F- - log_k -13.2091 - -delta_H -100.039 kJ/mol # Calculated enthalpy of reaction PuF4 + PuF4 = Pu+4 + 4 F- + log_k -13.2091 + -delta_H -100.039 kJ/mol # Calculated enthalpy of reaction PuF4 # Enthalpy of formation: -1777.24 kJ/mol - -analytic -4.3072e+002 -1.4500e-001 1.4076e+004 1.6709e+002 2.1977e+002 + -analytic -4.3072e+2 -1.45e-1 1.4076e+4 1.6709e+2 2.1977e+2 # -Range: 0-300 PuO2 - PuO2 +4.0000 H+ = + 1.0000 Pu++++ + 2.0000 H2O - log_k -7.3646 - -delta_H -51.8827 kJ/mol # Calculated enthalpy of reaction PuO2 + PuO2 + 4 H+ = Pu+4 + 2 H2O + log_k -7.3646 + -delta_H -51.8827 kJ/mol # Calculated enthalpy of reaction PuO2 # Enthalpy of formation: -1055.69 kJ/mol - -analytic -7.1933e+001 -1.1841e-002 4.4494e+003 2.1491e+001 6.9450e+001 + -analytic -7.1933e+1 -1.1841e-2 4.4494e+3 2.1491e+1 6.945e+1 # -Range: 0-300 PuO2(OH)2 - PuO2(OH)2 +2.0000 H+ = + 1.0000 PuO2++ + 2.0000 H2O - log_k 3.5499 - -delta_H -35.7307 kJ/mol # Calculated enthalpy of reaction PuO2(OH)2 + PuO2(OH)2 + 2 H+ = PuO2+2 + 2 H2O + log_k 3.5499 + -delta_H -35.7307 kJ/mol # Calculated enthalpy of reaction PuO2(OH)2 # Enthalpy of formation: -1357.52 kJ/mol - -analytic -2.6536e+001 -1.6542e-003 2.8262e+003 8.5277e+000 4.4108e+001 + -analytic -2.6536e+1 -1.6542e-3 2.8262e+3 8.5277e+0 4.4108e+1 # -Range: 0-300 PuO2HPO4 - PuO2HPO4 = + 1.0000 HPO4-- + 1.0000 PuO2++ - log_k -12.6074 - -delta_H -10.108 kJ/mol # Calculated enthalpy of reaction PuO2HPO4 + PuO2HPO4 = HPO4-2 + PuO2+2 + log_k -12.6074 + -delta_H -10.108 kJ/mol # Calculated enthalpy of reaction PuO2HPO4 # Enthalpy of formation: -2103.55 kJ/mol - -analytic -1.6296e+002 -6.6166e-002 3.0557e+003 6.4577e+001 4.7729e+001 + -analytic -1.6296e+2 -6.6166e-2 3.0557e+3 6.4577e+1 4.7729e+1 # -Range: 0-300 PuO2OH(am) - PuO2OH +1.0000 H+ = + 1.0000 H2O + 1.0000 PuO2+ - log_k 5.4628 - -delta_H -42.4933 kJ/mol # Calculated enthalpy of reaction PuO2OH(am) + PuO2OH + H+ = H2O + PuO2+ + log_k 5.4628 + -delta_H -42.4933 kJ/mol # Calculated enthalpy of reaction PuO2OH(am) # Enthalpy of formation: -1157.53 kJ/mol - -analytic -3.1316e+000 6.7573e-003 2.6884e+003 -9.8622e-001 4.1951e+001 + -analytic -3.1316e+0 6.7573e-3 2.6884e+3 -9.8622e-1 4.1951e+1 # -Range: 0-300 Pyrite - FeS2 +1.0000 H2O = + 0.2500 H+ + 0.2500 SO4-- + 1.0000 Fe++ + 1.7500 HS- - log_k -24.6534 - -delta_H 109.535 kJ/mol # Calculated enthalpy of reaction Pyrite + FeS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Fe+2 + 1.75 HS- + log_k -24.6534 + -delta_H 109.535 kJ/mol # Calculated enthalpy of reaction Pyrite # Enthalpy of formation: -41 kcal/mol - -analytic -2.4195e+002 -8.7948e-002 -6.2911e+002 9.9248e+001 -9.7454e+000 + -analytic -2.4195e+2 -8.7948e-2 -6.2911e+2 9.9248e+1 -9.7454e+0 # -Range: 0-300 Pyrolusite - MnO2 = + 0.5000 Mn++ + 0.5000 MnO4-- - log_k -17.6439 - -delta_H 83.3804 kJ/mol # Calculated enthalpy of reaction Pyrolusite + MnO2 = 0.5 Mn+2 + 0.5 MnO4-2 + log_k -17.6439 + -delta_H 83.3804 kJ/mol # Calculated enthalpy of reaction Pyrolusite # Enthalpy of formation: -520.031 kJ/mol - -analytic -1.1541e+002 -4.1665e-002 -1.8960e+003 4.7094e+001 -2.9551e+001 + -analytic -1.1541e+2 -4.1665e-2 -1.896e+3 4.7094e+1 -2.9551e+1 # -Range: 0-300 Pyromorphite - Pb5(PO4)3Cl +3.0000 H+ = + 1.0000 Cl- + 3.0000 HPO4-- + 5.0000 Pb++ - log_k -47.8954 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pyromorphite + Pb5(PO4)3Cl + 3 H+ = Cl- + 3 HPO4-2 + 5 Pb+2 + log_k -47.8954 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pyromorphite # Enthalpy of formation: 0 kcal/mol Pyromorphite-OH - Pb5(OH)(PO4)3 +4.0000 H+ = + 1.0000 H2O + 3.0000 HPO4-- + 5.0000 Pb++ - log_k -26.2653 - -delta_H 0 # Not possible to calculate enthalpy of reaction Pyromorphite-OH + Pb5(OH)(PO4)3 + 4 H+ = H2O + 3 HPO4-2 + 5 Pb+2 + log_k -26.2653 + -delta_H 0 # Not possible to calculate enthalpy of reaction Pyromorphite-OH # Enthalpy of formation: 0 kcal/mol Pyrophyllite - Al2Si4O10(OH)2 +6.0000 H+ = + 2.0000 Al+++ + 4.0000 H2O + 4.0000 SiO2 - log_k 0.4397 - -delta_H -102.161 kJ/mol # Calculated enthalpy of reaction Pyrophyllite + Al2Si4O10(OH)2 + 6 H+ = 2 Al+3 + 4 H2O + 4 SiO2 + log_k 0.4397 + -delta_H -102.161 kJ/mol # Calculated enthalpy of reaction Pyrophyllite # Enthalpy of formation: -1345.31 kcal/mol - -analytic 1.1066e+001 1.2707e-002 1.6417e+004 -1.9596e+001 -1.8791e+006 + -analytic 1.1066e+1 1.2707e-2 1.6417e+4 -1.9596e+1 -1.8791e+6 # -Range: 0-300 Pyrrhotite - FeS +1.0000 H+ = + 1.0000 Fe++ + 1.0000 HS- - log_k -3.7193 - -delta_H -7.9496 kJ/mol # Calculated enthalpy of reaction Pyrrhotite + FeS + H+ = Fe+2 + HS- + log_k -3.7193 + -delta_H -7.9496 kJ/mol # Calculated enthalpy of reaction Pyrrhotite # Enthalpy of formation: -24 kcal/mol - -analytic -1.5785e+002 -5.2258e-002 3.9711e+003 6.3195e+001 6.2012e+001 + -analytic -1.5785e+2 -5.2258e-2 3.9711e+3 6.3195e+1 6.2012e+1 # -Range: 0-300 Quartz - SiO2 = + 1.0000 SiO2 - log_k -3.9993 - -delta_H 32.949 kJ/mol # Calculated enthalpy of reaction Quartz + SiO2 = SiO2 + log_k -3.9993 + -delta_H 32.949 kJ/mol # Calculated enthalpy of reaction Quartz # Enthalpy of formation: -217.65 kcal/mol - -analytic 7.7698e-002 1.0612e-002 3.4651e+003 -4.3551e+000 -7.2138e+005 + -analytic 7.7698e-2 1.0612e-2 3.4651e+3 -4.3551e+0 -7.2138e+5 # -Range: 0-300 Ra - Ra +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Ra++ - log_k 141.3711 - -delta_H -807.374 kJ/mol # Calculated enthalpy of reaction Ra + Ra + 2 H+ + 0.5 O2 = H2O + Ra+2 + log_k 141.3711 + -delta_H -807.374 kJ/mol # Calculated enthalpy of reaction Ra # Enthalpy of formation: 0 kJ/mol - -analytic 4.9867e+001 5.9412e-003 4.0293e+004 -1.8356e+001 6.8421e+002 + -analytic 4.9867e+1 5.9412e-3 4.0293e+4 -1.8356e+1 6.8421e+2 # -Range: 0-200 Ra(NO3)2 - Ra(NO3)2 = + 1.0000 Ra++ + 2.0000 NO3- - log_k -2.2419 - -delta_H 50.4817 kJ/mol # Calculated enthalpy of reaction Ra(NO3)2 + Ra(NO3)2 = Ra+2 + 2 NO3- + log_k -2.2419 + -delta_H 50.4817 kJ/mol # Calculated enthalpy of reaction Ra(NO3)2 # Enthalpy of formation: -991.706 kJ/mol - -analytic 2.2001e+001 -9.5263e-003 -3.9389e+003 -3.3143e+000 -6.6896e+001 + -analytic 2.2001e+1 -9.5263e-3 -3.9389e+3 -3.3143e+0 -6.6896e+1 # -Range: 0-200 RaCl2:2H2O - RaCl2:2H2O = + 1.0000 Ra++ + 2.0000 Cl- + 2.0000 H2O - log_k -0.7647 - -delta_H 32.6266 kJ/mol # Calculated enthalpy of reaction RaCl2:2H2O + RaCl2:2H2O = Ra+2 + 2 Cl- + 2 H2O + log_k -0.7647 + -delta_H 32.6266 kJ/mol # Calculated enthalpy of reaction RaCl2:2H2O # Enthalpy of formation: -1466.07 kJ/mol - -analytic -2.5033e+001 -1.8918e-002 -1.5713e+003 1.4213e+001 -2.6673e+001 + -analytic -2.5033e+1 -1.8918e-2 -1.5713e+3 1.4213e+1 -2.6673e+1 # -Range: 0-200 RaSO4 - RaSO4 = + 1.0000 Ra++ + 1.0000 SO4-- - log_k -10.4499 - -delta_H 40.309 kJ/mol # Calculated enthalpy of reaction RaSO4 + RaSO4 = Ra+2 + SO4-2 + log_k -10.4499 + -delta_H 40.309 kJ/mol # Calculated enthalpy of reaction RaSO4 # Enthalpy of formation: -1477.51 kJ/mol - -analytic 4.8025e+001 -1.1376e-002 -5.1347e+003 -1.5306e+001 -8.7211e+001 + -analytic 4.8025e+1 -1.1376e-2 -5.1347e+3 -1.5306e+1 -8.7211e+1 # -Range: 0-200 Rankinite - Ca3Si2O7 +6.0000 H+ = + 2.0000 SiO2 + 3.0000 Ca++ + 3.0000 H2O - log_k 51.9078 - -delta_H -302.089 kJ/mol # Calculated enthalpy of reaction Rankinite + Ca3Si2O7 + 6 H+ = 2 SiO2 + 3 Ca+2 + 3 H2O + log_k 51.9078 + -delta_H -302.089 kJ/mol # Calculated enthalpy of reaction Rankinite # Enthalpy of formation: -941.7 kcal/mol - -analytic -9.6393e+001 -1.6592e-002 2.4832e+004 3.2541e+001 -9.4630e+005 + -analytic -9.6393e+1 -1.6592e-2 2.4832e+4 3.2541e+1 -9.463e+5 # -Range: 0-300 Rb - Rb +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Rb+ - log_k 71.1987 - -delta_H -391.009 kJ/mol # Calculated enthalpy of reaction Rb + Rb + H+ + 0.25 O2 = 0.5 H2O + Rb+ + log_k 71.1987 + -delta_H -391.009 kJ/mol # Calculated enthalpy of reaction Rb # Enthalpy of formation: 0 kJ/mol - -analytic -2.1179e+001 -8.7978e-003 2.0934e+004 1.0011e+001 3.2667e+002 + -analytic -2.1179e+1 -8.7978e-3 2.0934e+4 1.0011e+1 3.2667e+2 # -Range: 0-300 Rb2UO4 - Rb2UO4 +4.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 Rb+ - log_k 34.0089 - -delta_H -170.224 kJ/mol # Calculated enthalpy of reaction Rb2UO4 + Rb2UO4 + 4 H+ = UO2+2 + 2 H2O + 2 Rb+ + log_k 34.0089 + -delta_H -170.224 kJ/mol # Calculated enthalpy of reaction Rb2UO4 # Enthalpy of formation: -1922.7 kJ/mol - -analytic -3.8205e+001 3.1862e-003 1.0973e+004 1.3925e+001 1.8636e+002 + -analytic -3.8205e+1 3.1862e-3 1.0973e+4 1.3925e+1 1.8636e+2 # -Range: 0-200 Re - Re +1.7500 O2 +0.5000 H2O = + 1.0000 H+ + 1.0000 ReO4- - log_k 105.9749 - -delta_H -623.276 kJ/mol # Calculated enthalpy of reaction Re + Re + 1.75 O2 + 0.5 H2O = H+ + ReO4- + log_k 105.9749 + -delta_H -623.276 kJ/mol # Calculated enthalpy of reaction Re # Enthalpy of formation: 0 kJ/mol - -analytic 1.4535e+001 -2.9877e-002 2.9910e+004 0.0000e+000 0.0000e+000 + -analytic 1.4535e+1 -2.9877e-2 2.991e+4 0e+0 0e+0 # -Range: 0-300 Realgar - AsS +2.0000 H2O = + 0.5000 S2O4-- + 1.0000 AsH3 + 1.0000 H+ - log_k -60.2768 - -delta_H 0 # Not possible to calculate enthalpy of reaction Realgar + AsS + 2 H2O = 0.5 S2O4-2 + AsH3 + H+ + log_k -60.2768 + -delta_H 0 # Not possible to calculate enthalpy of reaction Realgar # Enthalpy of formation: -71.406 kJ/mol Rhodochrosite - MnCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Mn++ - log_k -0.1928 - -delta_H -21.3426 kJ/mol # Calculated enthalpy of reaction Rhodochrosite + MnCO3 + H+ = HCO3- + Mn+2 + log_k -0.1928 + -delta_H -21.3426 kJ/mol # Calculated enthalpy of reaction Rhodochrosite # Enthalpy of formation: -212.521 kcal/mol - -analytic -1.6195e+002 -4.9344e-002 5.0937e+003 6.4402e+001 7.9531e+001 + -analytic -1.6195e+2 -4.9344e-2 5.0937e+3 6.4402e+1 7.9531e+1 # -Range: 0-300 Rhodonite - MnSiO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 Mn++ + 1.0000 SiO2 - log_k 9.7301 - -delta_H -64.7121 kJ/mol # Calculated enthalpy of reaction Rhodonite + MnSiO3 + 2 H+ = H2O + Mn+2 + SiO2 + log_k 9.7301 + -delta_H -64.7121 kJ/mol # Calculated enthalpy of reaction Rhodonite # Enthalpy of formation: -1319.42 kJ/mol - -analytic 2.0585e+001 4.9941e-003 4.5816e+003 -9.8212e+000 -3.0658e+005 + -analytic 2.0585e+1 4.9941e-3 4.5816e+3 -9.8212e+0 -3.0658e+5 # -Range: 0-300 Ripidolite-14A - Mg3Fe2Al2Si3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 2.0000 Fe++ + 3.0000 Mg++ + 3.0000 SiO2 + 12.0000 H2O - log_k 60.9638 - -delta_H -572.472 kJ/mol # Calculated enthalpy of reaction Ripidolite-14A + Mg3Fe2Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 2 Fe+2 + 3 Mg+2 + 3 SiO2 + 12 H2O + log_k 60.9638 + -delta_H -572.472 kJ/mol # Calculated enthalpy of reaction Ripidolite-14A # Enthalpy of formation: -1947.87 kcal/mol - -analytic -1.8376e+002 -6.1934e-002 3.2458e+004 6.2290e+001 5.0653e+002 + -analytic -1.8376e+2 -6.1934e-2 3.2458e+4 6.229e+1 5.0653e+2 # -Range: 0-300 Ripidolite-7A - Mg3Fe2Al2Si3O10(OH)8 +16.0000 H+ = + 2.0000 Al+++ + 2.0000 Fe++ + 3.0000 Mg++ + 3.0000 SiO2 + 12.0000 H2O - log_k 64.3371 - -delta_H -586.325 kJ/mol # Calculated enthalpy of reaction Ripidolite-7A + Mg3Fe2Al2Si3O10(OH)8 + 16 H+ = 2 Al+3 + 2 Fe+2 + 3 Mg+2 + 3 SiO2 + 12 H2O + log_k 64.3371 + -delta_H -586.325 kJ/mol # Calculated enthalpy of reaction Ripidolite-7A # Enthalpy of formation: -1944.56 kcal/mol - -analytic -1.9557e+002 -6.3779e-002 3.3634e+004 6.7057e+001 5.2489e+002 + -analytic -1.9557e+2 -6.3779e-2 3.3634e+4 6.7057e+1 5.2489e+2 # -Range: 0-300 Romarchite - SnO +2.0000 H+ = + 1.0000 H2O + 1.0000 Sn++ - log_k 1.3625 - -delta_H -8.69017 kJ/mol # Calculated enthalpy of reaction Romarchite + SnO + 2 H+ = H2O + Sn+2 + log_k 1.3625 + -delta_H -8.69017 kJ/mol # Calculated enthalpy of reaction Romarchite # Enthalpy of formation: -68.34 kcal/mol - -analytic -6.3187e+001 -1.5821e-002 2.2786e+003 2.4900e+001 3.5574e+001 + -analytic -6.3187e+1 -1.5821e-2 2.2786e+3 2.49e+1 3.5574e+1 # -Range: 0-300 Ru - Ru +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Ru++ - log_k 16.6701 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru + Ru + 2 H+ + 0.5 O2 = H2O + Ru+2 + log_k 16.6701 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru # Enthalpy of formation: 0 kJ/mol Ru(OH)3:H2O(am) - Ru(OH)3:H2O +3.0000 H+ = + 1.0000 Ru+++ + 4.0000 H2O - log_k 1.6338 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)3:H2O(am) + Ru(OH)3:H2O + 3 H+ = Ru+3 + 4 H2O + log_k 1.6338 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ru(OH)3:H2O(am) # Enthalpy of formation: 0 kcal/mol RuBr3 - RuBr3 = + 1.0000 Ru+++ + 3.0000 Br- - log_k 3.1479 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuBr3 + RuBr3 = Ru+3 + 3 Br- + log_k 3.1479 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuBr3 # Enthalpy of formation: -147.76 kJ/mol RuCl3 - RuCl3 = + 1.0000 Ru+++ + 3.0000 Cl- - log_k 10.8215 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl3 + RuCl3 = Ru+3 + 3 Cl- + log_k 10.8215 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl3 # Enthalpy of formation: -221.291 kJ/mol RuI3 - RuI3 = + 1.0000 Ru+++ + 3.0000 I- - log_k -12.4614 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuI3 + RuI3 = Ru+3 + 3 I- + log_k -12.4614 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuI3 # Enthalpy of formation: -58.425 kJ/mol RuO2 - RuO2 +2.0000 H+ = + 1.0000 Ru(OH)2++ - log_k -5.4835 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuO2 + RuO2 + 2 H+ = Ru(OH)2+2 + log_k -5.4835 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuO2 # Enthalpy of formation: -307.233 kJ/mol RuO2:2H2O(am) - RuO2:2H2O +2.0000 H+ = + 1.0000 Ru(OH)2++ + 2.0000 H2O - log_k 0.9045 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuO2:2H2O(am) + RuO2:2H2O + 2 H+ = Ru(OH)2+2 + 2 H2O + log_k 0.9045 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuO2:2H2O(am) # Enthalpy of formation: 0 kcal/mol RuO4 - RuO4 = + 1.0000 RuO4 - log_k -0.9636 - -delta_H 6.305 kJ/mol # Calculated enthalpy of reaction RuO4 + RuO4 = RuO4 + log_k -0.9636 + -delta_H 6.305 kJ/mol # Calculated enthalpy of reaction RuO4 # Enthalpy of formation: -244.447 kJ/mol RuSe2 - RuSe2 +2.0000 H2O = + 1.0000 Ru(OH)2++ + 2.0000 H+ + 2.0000 Se-- - log_k -113.7236 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuSe2 + RuSe2 + 2 H2O = Ru(OH)2+2 + 2 H+ + 2 Se-2 + log_k -113.7236 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuSe2 # Enthalpy of formation: -146.274 kJ/mol Rutherfordine - UO2CO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 UO2++ - log_k -4.1064 - -delta_H -19.4032 kJ/mol # Calculated enthalpy of reaction Rutherfordine + UO2CO3 + H+ = HCO3- + UO2+2 + log_k -4.1064 + -delta_H -19.4032 kJ/mol # Calculated enthalpy of reaction Rutherfordine # Enthalpy of formation: -1689.53 kJ/mol - -analytic -8.8224e+001 -3.1434e-002 2.6675e+003 3.4161e+001 4.1650e+001 + -analytic -8.8224e+1 -3.1434e-2 2.6675e+3 3.4161e+1 4.165e+1 # -Range: 0-300 Rutile - TiO2 +2.0000 H2O = + 1.0000 Ti(OH)4 - log_k -9.6452 - -delta_H 0 # Not possible to calculate enthalpy of reaction Rutile + TiO2 + 2 H2O = Ti(OH)4 + log_k -9.6452 + -delta_H 0 # Not possible to calculate enthalpy of reaction Rutile # Enthalpy of formation: -226.107 kcal/mol S - S +1.0000 H2O = + 0.5000 O2 + 1.0000 H+ + 1.0000 HS- - log_k -45.0980 - -delta_H 263.663 kJ/mol # Calculated enthalpy of reaction S + S + H2O = 0.5 O2 + H+ + HS- + log_k -45.098 + -delta_H 263.663 kJ/mol # Calculated enthalpy of reaction S # Enthalpy of formation: 0 kJ/mol - -analytic -8.8928e+001 -2.8454e-002 -1.1516e+004 3.6747e+001 -1.7966e+002 + -analytic -8.8928e+1 -2.8454e-2 -1.1516e+4 3.6747e+1 -1.7966e+2 # -Range: 0-300 Safflorite - CoAs2 +2.0000 H2O +1.0000 H+ +0.5000 O2 = + 1.0000 AsH3 + 1.0000 Co++ + 1.0000 H2AsO3- - log_k -3.6419 - -delta_H -52.7226 kJ/mol # Calculated enthalpy of reaction Safflorite + CoAs2 + 2 H2O + H+ + 0.5 O2 = AsH3 + Co+2 + H2AsO3- + log_k -3.6419 + -delta_H -52.7226 kJ/mol # Calculated enthalpy of reaction Safflorite # Enthalpy of formation: -23.087 kcal/mol Saleeite - Mg(UO2)2(PO4)2 +2.0000 H+ = + 1.0000 Mg++ + 2.0000 HPO4-- + 2.0000 UO2++ - log_k -19.4575 - -delta_H -110.816 kJ/mol # Calculated enthalpy of reaction Saleeite + Mg(UO2)2(PO4)2 + 2 H+ = Mg+2 + 2 HPO4-2 + 2 UO2+2 + log_k -19.4575 + -delta_H -110.816 kJ/mol # Calculated enthalpy of reaction Saleeite # Enthalpy of formation: -1189.61 kcal/mol - -analytic -6.0028e+001 -4.4391e-002 3.9168e+003 1.6428e+001 6.6533e+001 + -analytic -6.0028e+1 -4.4391e-2 3.9168e+3 1.6428e+1 6.6533e+1 # -Range: 0-200 Sanbornite - BaSi2O5 +2.0000 H+ = + 1.0000 Ba++ + 1.0000 H2O + 2.0000 SiO2 - log_k 9.4753 - -delta_H -31.0845 kJ/mol # Calculated enthalpy of reaction Sanbornite + BaSi2O5 + 2 H+ = Ba+2 + H2O + 2 SiO2 + log_k 9.4753 + -delta_H -31.0845 kJ/mol # Calculated enthalpy of reaction Sanbornite # Enthalpy of formation: -2547.8 kJ/mol - -analytic -2.5381e+001 1.2999e-002 1.2330e+004 2.1053e+000 -1.3913e+006 + -analytic -2.5381e+1 1.2999e-2 1.233e+4 2.1053e+0 -1.3913e+6 # -Range: 0-300 Sanidine_high - KAlSi3O8 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 K+ + 2.0000 H2O + 3.0000 SiO2 - log_k 0.9239 - -delta_H -35.0284 kJ/mol # Calculated enthalpy of reaction Sanidine_high + KAlSi3O8 + 4 H+ = Al+3 + K+ + 2 H2O + 3 SiO2 + log_k 0.9239 + -delta_H -35.0284 kJ/mol # Calculated enthalpy of reaction Sanidine_high # Enthalpy of formation: -946.538 kcal/mol - -analytic -3.4889e+000 1.4495e-002 1.2856e+004 -9.8978e+000 -1.6572e+006 + -analytic -3.4889e+0 1.4495e-2 1.2856e+4 -9.8978e+0 -1.6572e+6 # -Range: 0-300 Saponite-Ca - Ca.165Mg3Al.33Si3.67O10(OH)2 +7.3200 H+ = + 0.1650 Ca++ + 0.3300 Al+++ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O - log_k 26.2900 - -delta_H -207.971 kJ/mol # Calculated enthalpy of reaction Saponite-Ca + Ca.165Mg3Al.33Si3.67O10(OH)2 + 7.32 H+ = 0.165 Ca+2 + 0.33 Al+3 + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O + log_k 26.29 + -delta_H -207.971 kJ/mol # Calculated enthalpy of reaction Saponite-Ca # Enthalpy of formation: -1436.51 kcal/mol - -analytic -4.6904e+001 6.2555e-003 2.2572e+004 5.3198e+000 -1.5725e+006 + -analytic -4.6904e+1 6.2555e-3 2.2572e+4 5.3198e+0 -1.5725e+6 # -Range: 0-300 Saponite-Cs - Cs.33Si3.67Al.33Mg3O10(OH)2 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 Cs+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O - log_k 25.8528 - -delta_H -195.407 kJ/mol # Calculated enthalpy of reaction Saponite-Cs + Cs.33Si3.67Al.33Mg3O10(OH)2 + 7.32 H+ = 0.33 Al+3 + 0.33 Cs+ + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O + log_k 25.8528 + -delta_H -195.407 kJ/mol # Calculated enthalpy of reaction Saponite-Cs # Enthalpy of formation: -1438.44 kcal/mol - -analytic -7.7732e+001 -3.6418e-005 2.3346e+004 1.7578e+001 -1.6319e+006 + -analytic -7.7732e+1 -3.6418e-5 2.3346e+4 1.7578e+1 -1.6319e+6 # -Range: 0-300 Saponite-H - H.33Mg3Al.33Si3.67O10(OH)2 +6.9900 H+ = + 0.3300 Al+++ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O - log_k 25.3321 - -delta_H -200.235 kJ/mol # Calculated enthalpy of reaction Saponite-H + H.33Mg3Al.33Si3.67O10(OH)2 + 6.99 H+ = 0.33 Al+3 + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O + log_k 25.3321 + -delta_H -200.235 kJ/mol # Calculated enthalpy of reaction Saponite-H # Enthalpy of formation: -1416.94 kcal/mol - -analytic -3.9828e+001 8.9566e-003 2.2165e+004 2.3941e+000 -1.5933e+006 + -analytic -3.9828e+1 8.9566e-3 2.2165e+4 2.3941e+0 -1.5933e+6 # -Range: 0-300 Saponite-K - K.33Mg3Al.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 K+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O - log_k 26.0075 - -delta_H -196.402 kJ/mol # Calculated enthalpy of reaction Saponite-K + K.33Mg3Al.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 Al+3 + 0.33 K+ + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O + log_k 26.0075 + -delta_H -196.402 kJ/mol # Calculated enthalpy of reaction Saponite-K # Enthalpy of formation: -1437.74 kcal/mol - -analytic 3.2113e+001 1.8392e-002 1.7918e+004 -2.2874e+001 -1.3542e+006 + -analytic 3.2113e+1 1.8392e-2 1.7918e+4 -2.2874e+1 -1.3542e+6 # -Range: 0-300 Saponite-Mg - Mg3.165Al.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 Al+++ + 3.1650 Mg++ + 3.6700 SiO2 + 4.6600 H2O - log_k 26.2523 - -delta_H -210.822 kJ/mol # Calculated enthalpy of reaction Saponite-Mg + Mg3.165Al.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 Al+3 + 3.165 Mg+2 + 3.67 SiO2 + 4.66 H2O + log_k 26.2523 + -delta_H -210.822 kJ/mol # Calculated enthalpy of reaction Saponite-Mg # Enthalpy of formation: -1432.79 kcal/mol - -analytic 9.8888e+000 1.4320e-002 1.9418e+004 -1.5259e+001 -1.3716e+006 + -analytic 9.8888e+0 1.432e-2 1.9418e+4 -1.5259e+1 -1.3716e+6 # -Range: 0-300 Saponite-Na - Na.33Mg3Al.33Si3.67O10(OH)2 +7.3200 H+ = + 0.3300 Al+++ + 0.3300 Na+ + 3.0000 Mg++ + 3.6700 SiO2 + 4.6600 H2O - log_k 26.3459 - -delta_H -201.401 kJ/mol # Calculated enthalpy of reaction Saponite-Na + Na.33Mg3Al.33Si3.67O10(OH)2 + 7.32 H+ = 0.33 Al+3 + 0.33 Na+ + 3 Mg+2 + 3.67 SiO2 + 4.66 H2O + log_k 26.3459 + -delta_H -201.401 kJ/mol # Calculated enthalpy of reaction Saponite-Na # Enthalpy of formation: -1435.61 kcal/mol - -analytic -6.7611e+001 4.7327e-003 2.3586e+004 1.2868e+001 -1.6493e+006 + -analytic -6.7611e+1 4.7327e-3 2.3586e+4 1.2868e+1 -1.6493e+6 # -Range: 0-300 Sb - Sb +1.5000 H2O +0.7500 O2 = + 1.0000 Sb(OH)3 - log_k 52.7918 - -delta_H -335.931 kJ/mol # Calculated enthalpy of reaction Sb + Sb + 1.5 H2O + 0.75 O2 = Sb(OH)3 + log_k 52.7918 + -delta_H -335.931 kJ/mol # Calculated enthalpy of reaction Sb # Enthalpy of formation: 0 kJ/mol Sb(OH)3 - Sb(OH)3 = + 1.0000 Sb(OH)3 - log_k -7.0953 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)3 + Sb(OH)3 = Sb(OH)3 + log_k -7.0953 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sb(OH)3 # Enthalpy of formation: 0 kcal/mol Sb2O3 - Sb2O3 +3.0000 H2O = + 2.0000 Sb(OH)3 - log_k -8.9600 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sb2O3 + Sb2O3 + 3 H2O = 2 Sb(OH)3 + log_k -8.96 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sb2O3 # Enthalpy of formation: 0 kcal/mol - -analytic 2.3982e+000 -7.6326e-005 -3.3787e+003 0.0000e+000 0.0000e+000 + -analytic 2.3982e+0 -7.6326e-5 -3.3787e+3 0e+0 0e+0 # -Range: 0-300 Sb2O4 - Sb2O4 +3.0000 H2O = + 0.5000 O2 + 2.0000 Sb(OH)3 - log_k -39.6139 - -delta_H 211.121 kJ/mol # Calculated enthalpy of reaction Sb2O4 + Sb2O4 + 3 H2O = 0.5 O2 + 2 Sb(OH)3 + log_k -39.6139 + -delta_H 211.121 kJ/mol # Calculated enthalpy of reaction Sb2O4 # Enthalpy of formation: -907.251 kJ/mol Sb2O5 - Sb2O5 +3.0000 H2O = + 1.0000 O2 + 2.0000 Sb(OH)3 - log_k -46.9320 - -delta_H 269.763 kJ/mol # Calculated enthalpy of reaction Sb2O5 + Sb2O5 + 3 H2O = O2 + 2 Sb(OH)3 + log_k -46.932 + -delta_H 269.763 kJ/mol # Calculated enthalpy of reaction Sb2O5 # Enthalpy of formation: -971.96 kJ/mol Sb4O6(cubic) - Sb4O6 +6.0000 H2O = + 4.0000 Sb(OH)3 - log_k -19.6896 - -delta_H 59.898 kJ/mol # Calculated enthalpy of reaction Sb4O6(cubic) + Sb4O6 + 6 H2O = 4 Sb(OH)3 + log_k -19.6896 + -delta_H 59.898 kJ/mol # Calculated enthalpy of reaction Sb4O6(cubic) # Enthalpy of formation: -1440.02 kJ/mol Sb4O6(orthorhombic) - Sb4O6 +6.0000 H2O = + 4.0000 Sb(OH)3 - log_k -17.0442 - -delta_H 37.314 kJ/mol # Calculated enthalpy of reaction Sb4O6(orthorhombic) + Sb4O6 + 6 H2O = 4 Sb(OH)3 + log_k -17.0442 + -delta_H 37.314 kJ/mol # Calculated enthalpy of reaction Sb4O6(orthorhombic) # Enthalpy of formation: -1417.44 kJ/mol SbBr3 - SbBr3 +3.0000 H2O = + 1.0000 Sb(OH)3 + 3.0000 Br- + 3.0000 H+ - log_k 1.0554 - -delta_H -21.5871 kJ/mol # Calculated enthalpy of reaction SbBr3 + SbBr3 + 3 H2O = Sb(OH)3 + 3 Br- + 3 H+ + log_k 1.0554 + -delta_H -21.5871 kJ/mol # Calculated enthalpy of reaction SbBr3 # Enthalpy of formation: -259.197 kJ/mol SbCl3 - SbCl3 +3.0000 H2O = + 1.0000 Sb(OH)3 + 3.0000 Cl- + 3.0000 H+ - log_k 0.5878 - -delta_H -35.393 kJ/mol # Calculated enthalpy of reaction SbCl3 + SbCl3 + 3 H2O = Sb(OH)3 + 3 Cl- + 3 H+ + log_k 0.5878 + -delta_H -35.393 kJ/mol # Calculated enthalpy of reaction SbCl3 # Enthalpy of formation: -382.12 kJ/mol Sc - Sc +3.0000 H+ +0.7500 O2 = + 1.0000 Sc+++ + 1.5000 H2O - log_k 167.2700 - -delta_H -1033.87 kJ/mol # Calculated enthalpy of reaction Sc + Sc + 3 H+ + 0.75 O2 = Sc+3 + 1.5 H2O + log_k 167.27 + -delta_H -1033.87 kJ/mol # Calculated enthalpy of reaction Sc # Enthalpy of formation: 0 kJ/mol - -analytic -6.6922e+001 -2.9150e-002 5.4559e+004 2.4189e+001 8.5137e+002 + -analytic -6.6922e+1 -2.915e-2 5.4559e+4 2.4189e+1 8.5137e+2 # -Range: 0-300 Scacchite - MnCl2 = + 1.0000 Mn++ + 2.0000 Cl- - log_k 8.7785 - -delta_H -73.4546 kJ/mol # Calculated enthalpy of reaction Scacchite + MnCl2 = Mn+2 + 2 Cl- + log_k 8.7785 + -delta_H -73.4546 kJ/mol # Calculated enthalpy of reaction Scacchite # Enthalpy of formation: -481.302 kJ/mol - -analytic -2.3476e+002 -8.2437e-002 9.0088e+003 9.6128e+001 1.4064e+002 + -analytic -2.3476e+2 -8.2437e-2 9.0088e+3 9.6128e+1 1.4064e+2 # -Range: 0-300 Schoepite - UO3:2H2O +2.0000 H+ = + 1.0000 UO2++ + 3.0000 H2O - log_k 4.8333 - -delta_H -50.415 kJ/mol # Calculated enthalpy of reaction Schoepite + UO3:2H2O + 2 H+ = UO2+2 + 3 H2O + log_k 4.8333 + -delta_H -50.415 kJ/mol # Calculated enthalpy of reaction Schoepite # Enthalpy of formation: -1826.1 kJ/mol - -analytic 1.3645e+001 1.0884e-002 2.5412e+003 -8.3167e+000 3.9649e+001 + -analytic 1.3645e+1 1.0884e-2 2.5412e+3 -8.3167e+0 3.9649e+1 # -Range: 0-300 Schoepite-dehy(.393) - UO3:.393H2O +2.0000 H+ = + 1.0000 UO2++ + 1.3930 H2O - log_k 6.7243 - -delta_H -69.2728 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.393) + UO3:.393H2O + 2 H+ = UO2+2 + 1.393 H2O + log_k 6.7243 + -delta_H -69.2728 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.393) # Enthalpy of formation: -1347.9 kJ/mol - -analytic -5.6487e+001 -3.0358e-003 5.7044e+003 1.8179e+001 9.6887e+001 + -analytic -5.6487e+1 -3.0358e-3 5.7044e+3 1.8179e+1 9.6887e+1 # -Range: 0-200 Schoepite-dehy(.648) - UO3:.648H2O +2.0000 H+ = + 1.0000 UO2++ + 1.6480 H2O - log_k 6.2063 - -delta_H -65.4616 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.648) + UO3:.648H2O + 2 H+ = UO2+2 + 1.648 H2O + log_k 6.2063 + -delta_H -65.4616 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.648) # Enthalpy of formation: -1424.6 kJ/mol - -analytic -6.3010e+001 -3.0276e-003 5.8033e+003 2.0471e+001 9.8569e+001 + -analytic -6.301e+1 -3.0276e-3 5.8033e+3 2.0471e+1 9.8569e+1 # -Range: 0-200 Schoepite-dehy(.85) - UO3:.85H2O +2.0000 H+ = + 1.0000 UO2++ + 1.8500 H2O - log_k 5.0970 - -delta_H -56.4009 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.85) + UO3:.85H2O + 2 H+ = UO2+2 + 1.85 H2O + log_k 5.097 + -delta_H -56.4009 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.85) # Enthalpy of formation: -1491.4 kJ/mol - -analytic -6.7912e+001 -3.0420e-003 5.5690e+003 2.2323e+001 9.4593e+001 + -analytic -6.7912e+1 -3.042e-3 5.569e+3 2.2323e+1 9.4593e+1 # -Range: 0-200 Schoepite-dehy(.9) - UO3:.9H2O +2.0000 H+ = + 1.0000 UO2++ + 1.9000 H2O - log_k 5.0167 - -delta_H -55.7928 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.9) + UO3:.9H2O + 2 H+ = UO2+2 + 1.9 H2O + log_k 5.0167 + -delta_H -55.7928 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(.9) # Enthalpy of formation: -1506.3 kJ/mol - -analytic -1.5998e+001 -2.0144e-003 3.2910e+003 4.2751e+000 5.1358e+001 + -analytic -1.5998e+1 -2.0144e-3 3.291e+3 4.2751e+0 5.1358e+1 # -Range: 0-300 Schoepite-dehy(1.0) - UO3:H2O +2.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O - log_k 5.1031 - -delta_H -57.4767 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(1.0) + UO3:H2O + 2 H+ = UO2+2 + 2 H2O + log_k 5.1031 + -delta_H -57.4767 kJ/mol # Calculated enthalpy of reaction Schoepite-dehy(1.0) # Enthalpy of formation: -1533.2 kJ/mol - -analytic -7.2080e+001 -3.0503e-003 5.8024e+003 2.3695e+001 9.8557e+001 + -analytic -7.208e+1 -3.0503e-3 5.8024e+3 2.3695e+1 9.8557e+1 # -Range: 0-200 Scolecite - CaAl2Si3O10:3H2O +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 3.0000 SiO2 + 7.0000 H2O - log_k 15.8767 - -delta_H -204.93 kJ/mol # Calculated enthalpy of reaction Scolecite + CaAl2Si3O10:3H2O + 8 H+ = Ca+2 + 2 Al+3 + 3 SiO2 + 7 H2O + log_k 15.8767 + -delta_H -204.93 kJ/mol # Calculated enthalpy of reaction Scolecite # Enthalpy of formation: -6048.92 kJ/mol - -analytic 5.0656e+001 -3.1485e-003 1.0574e+004 -2.5663e+001 -5.2769e+005 + -analytic 5.0656e+1 -3.1485e-3 1.0574e+4 -2.5663e+1 -5.2769e+5 # -Range: 0-300 Se - Se +1.0000 H2O +1.0000 O2 = + 1.0000 SeO3-- + 2.0000 H+ - log_k 26.1436 - -delta_H -211.221 kJ/mol # Calculated enthalpy of reaction Se + Se + H2O + O2 = SeO3-2 + 2 H+ + log_k 26.1436 + -delta_H -211.221 kJ/mol # Calculated enthalpy of reaction Se # Enthalpy of formation: 0 kJ/mol - -analytic -9.5144e+001 -6.5681e-002 1.0736e+004 4.2358e+001 1.6755e+002 + -analytic -9.5144e+1 -6.5681e-2 1.0736e+4 4.2358e+1 1.6755e+2 # -Range: 0-300 Se2O5 - Se2O5 +2.0000 H2O = + 1.0000 SeO3-- + 1.0000 SeO4-- + 4.0000 H+ - log_k 9.5047 - -delta_H -123.286 kJ/mol # Calculated enthalpy of reaction Se2O5 + Se2O5 + 2 H2O = SeO3-2 + SeO4-2 + 4 H+ + log_k 9.5047 + -delta_H -123.286 kJ/mol # Calculated enthalpy of reaction Se2O5 # Enthalpy of formation: -98.8 kcal/mol - -analytic 1.1013e+002 -2.4491e-002 -5.6147e+002 -3.6960e+001 -9.5719e+000 + -analytic 1.1013e+2 -2.4491e-2 -5.6147e+2 -3.696e+1 -9.5719e+0 # -Range: 0-200 SeCl4 - SeCl4 +3.0000 H2O = + 1.0000 SeO3-- + 4.0000 Cl- + 6.0000 H+ - log_k 14.4361 - -delta_H -131.298 kJ/mol # Calculated enthalpy of reaction SeCl4 + SeCl4 + 3 H2O = SeO3-2 + 4 Cl- + 6 H+ + log_k 14.4361 + -delta_H -131.298 kJ/mol # Calculated enthalpy of reaction SeCl4 # Enthalpy of formation: -45.1 kcal/mol - -analytic -4.0215e+002 -1.8323e-001 1.3074e+004 1.7267e+002 2.0413e+002 + -analytic -4.0215e+2 -1.8323e-1 1.3074e+4 1.7267e+2 2.0413e+2 # -Range: 0-300 SeO3 - SeO3 +1.0000 H2O = + 1.0000 SeO4-- + 2.0000 H+ - log_k 19.2015 - -delta_H -143.022 kJ/mol # Calculated enthalpy of reaction SeO3 + SeO3 + H2O = SeO4-2 + 2 H+ + log_k 19.2015 + -delta_H -143.022 kJ/mol # Calculated enthalpy of reaction SeO3 # Enthalpy of formation: -40.7 kcal/mol - -analytic -1.4199e+002 -6.4398e-002 9.5505e+003 5.9941e+001 1.4907e+002 + -analytic -1.4199e+2 -6.4398e-2 9.5505e+3 5.9941e+1 1.4907e+2 # -Range: 0-300 Sellaite - MgF2 = + 1.0000 Mg++ + 2.0000 F- - log_k -9.3843 - -delta_H -12.4547 kJ/mol # Calculated enthalpy of reaction Sellaite + MgF2 = Mg+2 + 2 F- + log_k -9.3843 + -delta_H -12.4547 kJ/mol # Calculated enthalpy of reaction Sellaite # Enthalpy of formation: -1124.2 kJ/mol - -analytic -2.6901e+002 -8.5487e-002 6.8237e+003 1.0595e+002 1.0656e+002 + -analytic -2.6901e+2 -8.5487e-2 6.8237e+3 1.0595e+2 1.0656e+2 # -Range: 0-300 Sepiolite - Mg4Si6O15(OH)2:6H2O +8.0000 H+ = + 4.0000 Mg++ + 6.0000 SiO2 + 11.0000 H2O - log_k 30.4439 - -delta_H -157.339 kJ/mol # Calculated enthalpy of reaction Sepiolite + Mg4Si6O15(OH)2:6H2O + 8 H+ = 4 Mg+2 + 6 SiO2 + 11 H2O + log_k 30.4439 + -delta_H -157.339 kJ/mol # Calculated enthalpy of reaction Sepiolite # Enthalpy of formation: -2418 kcal/mol - -analytic 1.8690e+001 4.7544e-002 2.6765e+004 -2.5301e+001 -2.6498e+006 + -analytic 1.869e+1 4.7544e-2 2.6765e+4 -2.5301e+1 -2.6498e+6 # -Range: 0-300 Shcherbinaite - V2O5 +2.0000 H+ = + 1.0000 H2O + 2.0000 VO2+ - log_k -1.4520 - -delta_H -34.7917 kJ/mol # Calculated enthalpy of reaction Shcherbinaite + V2O5 + 2 H+ = H2O + 2 VO2+ + log_k -1.452 + -delta_H -34.7917 kJ/mol # Calculated enthalpy of reaction Shcherbinaite # Enthalpy of formation: -1550.6 kJ/mol - -analytic -1.4791e+002 -2.2464e-002 6.6865e+003 5.2832e+001 1.0438e+002 + -analytic -1.4791e+2 -2.2464e-2 6.6865e+3 5.2832e+1 1.0438e+2 # -Range: 0-300 Si - Si +1.0000 O2 = + 1.0000 SiO2 - log_k 148.9059 - -delta_H -865.565 kJ/mol # Calculated enthalpy of reaction Si + Si + O2 = SiO2 + log_k 148.9059 + -delta_H -865.565 kJ/mol # Calculated enthalpy of reaction Si # Enthalpy of formation: 0 kJ/mol - -analytic -5.7245e+002 -7.6302e-002 8.3516e+004 2.0045e+002 -2.8494e+006 + -analytic -5.7245e+2 -7.6302e-2 8.3516e+4 2.0045e+2 -2.8494e+6 # -Range: 0-300 SiO2(am) - SiO2 = + 1.0000 SiO2 - log_k -2.7136 - -delta_H 20.0539 kJ/mol # Calculated enthalpy of reaction SiO2(am) + SiO2 = SiO2 + log_k -2.7136 + -delta_H 20.0539 kJ/mol # Calculated enthalpy of reaction SiO2(am) # Enthalpy of formation: -214.568 kcal/mol - -analytic 1.2109e+000 7.0767e-003 2.3634e+003 -3.4449e+000 -4.8591e+005 + -analytic 1.2109e+0 7.0767e-3 2.3634e+3 -3.4449e+0 -4.8591e+5 # -Range: 0-300 Siderite - FeCO3 +1.0000 H+ = + 1.0000 Fe++ + 1.0000 HCO3- - log_k -0.1920 - -delta_H -32.5306 kJ/mol # Calculated enthalpy of reaction Siderite + FeCO3 + H+ = Fe+2 + HCO3- + log_k -0.192 + -delta_H -32.5306 kJ/mol # Calculated enthalpy of reaction Siderite # Enthalpy of formation: -179.173 kcal/mol - -analytic -1.5990e+002 -4.9361e-002 5.4947e+003 6.3032e+001 8.5787e+001 + -analytic -1.599e+2 -4.9361e-2 5.4947e+3 6.3032e+1 8.5787e+1 # -Range: 0-300 Sillimanite - Al2SiO5 +6.0000 H+ = + 1.0000 SiO2 + 2.0000 Al+++ + 3.0000 H2O - log_k 16.3080 - -delta_H -238.442 kJ/mol # Calculated enthalpy of reaction Sillimanite + Al2SiO5 + 6 H+ = SiO2 + 2 Al+3 + 3 H2O + log_k 16.308 + -delta_H -238.442 kJ/mol # Calculated enthalpy of reaction Sillimanite # Enthalpy of formation: -615.099 kcal/mol - -analytic -7.1610e+001 -3.2196e-002 1.2493e+004 2.2449e+001 1.9496e+002 + -analytic -7.161e+1 -3.2196e-2 1.2493e+4 2.2449e+1 1.9496e+2 # -Range: 0-300 Sklodowskite - Mg(H3O)2(UO2)2(SiO4)2:4H2O +6.0000 H+ = + 1.0000 Mg++ + 2.0000 SiO2 + 2.0000 UO2++ + 10.0000 H2O - log_k 13.7915 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sklodowskite + Mg(H3O)2(UO2)2(SiO4)2:4H2O + 6 H+ = Mg+2 + 2 SiO2 + 2 UO2+2 + 10 H2O + log_k 13.7915 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sklodowskite # Enthalpy of formation: 0 kcal/mol Sm - Sm +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Sm++ - log_k 133.1614 - -delta_H -783.944 kJ/mol # Calculated enthalpy of reaction Sm + Sm + 2 H+ + 0.5 O2 = H2O + Sm+2 + log_k 133.1614 + -delta_H -783.944 kJ/mol # Calculated enthalpy of reaction Sm # Enthalpy of formation: 0 kJ/mol - -analytic -7.1599e+001 -2.0083e-002 4.2693e+004 2.7291e+001 6.6621e+002 + -analytic -7.1599e+1 -2.0083e-2 4.2693e+4 2.7291e+1 6.6621e+2 # -Range: 0-300 Sm(OH)3 - Sm(OH)3 +3.0000 H+ = + 1.0000 Sm+++ + 3.0000 H2O - log_k 16.4852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(OH)3 + Sm(OH)3 + 3 H+ = Sm+3 + 3 H2O + log_k 16.4852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(OH)3 # Enthalpy of formation: 0 kcal/mol Sm(OH)3(am) - Sm(OH)3 +3.0000 H+ = + 1.0000 Sm+++ + 3.0000 H2O - log_k 18.5852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(OH)3(am) + Sm(OH)3 + 3 H+ = Sm+3 + 3 H2O + log_k 18.5852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sm(OH)3(am) # Enthalpy of formation: 0 kcal/mol Sm2(CO3)3 - Sm2(CO3)3 +3.0000 H+ = + 2.0000 Sm+++ + 3.0000 HCO3- - log_k -3.5136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sm2(CO3)3 + Sm2(CO3)3 + 3 H+ = 2 Sm+3 + 3 HCO3- + log_k -3.5136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sm2(CO3)3 # Enthalpy of formation: 0 kcal/mol Sm2(SO4)3 - Sm2(SO4)3 = + 2.0000 Sm+++ + 3.0000 SO4-- - log_k -9.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sm2(SO4)3 + Sm2(SO4)3 = 2 Sm+3 + 3 SO4-2 + log_k -9.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sm2(SO4)3 # Enthalpy of formation: 0 kcal/mol Sm2O3 - Sm2O3 +6.0000 H+ = + 2.0000 Sm+++ + 3.0000 H2O - log_k 42.9000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Sm2O3 + Sm2O3 + 6 H+ = 2 Sm+3 + 3 H2O + log_k 42.9 + -delta_H 0 # Not possible to calculate enthalpy of reaction Sm2O3 # Enthalpy of formation: 0 kcal/mol SmF3:.5H2O - SmF3:.5H2O = + 0.5000 H2O + 1.0000 Sm+++ + 3.0000 F- - log_k -17.5000 - -delta_H 0 # Not possible to calculate enthalpy of reaction SmF3:.5H2O + SmF3:.5H2O = 0.5 H2O + Sm+3 + 3 F- + log_k -17.5 + -delta_H 0 # Not possible to calculate enthalpy of reaction SmF3:.5H2O # Enthalpy of formation: 0 kcal/mol SmPO4:10H2O - SmPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Sm+++ + 10.0000 H2O - log_k -12.1782 - -delta_H 0 # Not possible to calculate enthalpy of reaction SmPO4:10H2O + SmPO4:10H2O + H+ = HPO4-2 + Sm+3 + 10 H2O + log_k -12.1782 + -delta_H 0 # Not possible to calculate enthalpy of reaction SmPO4:10H2O # Enthalpy of formation: 0 kcal/mol Smectite-high-Fe-Mg # Ca.025Na.1K.2Fe++.5Fe+++.2Mg1.15Al1.25Si3.5H2O12 +8.0000 H+ = + 0.0250 Ca++ + 0.1000 Na+ + 0.2000 Fe+++ + 0.2000 K+ + 0.5000 Fe++ + 1.1500 Mg++ + 1.2500 Al+++ + 3.5000 SiO2 + 5.0000 H2O - Ca.025Na.1K.2Fe.5Fe.2Mg1.15Al1.25Si3.5H2O12 +8.0000 H+ = + 0.0250 Ca++ + 0.1000 Na+ + 0.2000 Fe+++ + 0.2000 K+ + 0.5000 Fe++ + 1.1500 Mg++ + 1.2500 Al+++ + 3.5000 SiO2 + 5.0000 H2O - log_k 17.4200 - -delta_H -199.841 kJ/mol # Calculated enthalpy of reaction Smectite-high-Fe-Mg + Ca.025Na.1K.2Fe.5Fe.2Mg1.15Al1.25Si3.5H2O12 + 8 H+ = 0.025 Ca+2 + 0.1 Na+ + 0.2 Fe+3 + 0.2 K+ + 0.5 Fe+2 + 1.15 Mg+2 + 1.25 Al+3 + 3.5 SiO2 + 5 H2O + log_k 17.42 + -delta_H -199.841 kJ/mol # Calculated enthalpy of reaction Smectite-high-Fe-Mg # Enthalpy of formation: -1351.39 kcal/mol - -analytic -9.6102e+000 1.2551e-003 1.8157e+004 -7.9862e+000 -1.3005e+006 + -analytic -9.6102e+0 1.2551e-3 1.8157e+4 -7.9862e+0 -1.3005e+6 # -Range: 0-300 Smectite-low-Fe-Mg # Ca.02Na.15K.2Fe++.29Fe+++.16Mg.9Al1.25Si3.75H2O1 +7.0000 H+ = + 0.0200 Ca++ + 0.1500 Na+ + 0.1600 Fe+++ + 0.2000 K+ + 0.2900 Fe++ + 0.9000 Mg++ + 1.2500 Al+++ + 3.7500 SiO2 + 4.5000 H2O - Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12 +7.0000 H+ = + 0.0200 Ca++ + 0.1500 Na+ + 0.1600 Fe+++ + 0.2000 K+ + 0.2900 Fe++ + 0.9000 Mg++ + 1.2500 Al+++ + 3.7500 SiO2 + 4.5000 H2O - log_k 11.0405 - -delta_H -144.774 kJ/mol # Calculated enthalpy of reaction Smectite-low-Fe-Mg + Ca.02Na.15K.2Fe.29Fe.16Mg.9Al1.25Si3.75H2O12 + 7 H+ = 0.02 Ca+2 + 0.15 Na+ + 0.16 Fe+3 + 0.2 K+ + 0.29 Fe+2 + 0.9 Mg+2 + 1.25 Al+3 + 3.75 SiO2 + 4.5 H2O + log_k 11.0405 + -delta_H -144.774 kJ/mol # Calculated enthalpy of reaction Smectite-low-Fe-Mg # Enthalpy of formation: -1352.12 kcal/mol - -analytic -1.7003e+001 6.9848e-003 1.8359e+004 -6.8896e+000 -1.6637e+006 + -analytic -1.7003e+1 6.9848e-3 1.8359e+4 -6.8896e+0 -1.6637e+6 # -Range: 0-300 Smithsonite - ZnCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Zn++ - log_k 0.4633 - -delta_H -30.5348 kJ/mol # Calculated enthalpy of reaction Smithsonite + ZnCO3 + H+ = HCO3- + Zn+2 + log_k 0.4633 + -delta_H -30.5348 kJ/mol # Calculated enthalpy of reaction Smithsonite # Enthalpy of formation: -194.26 kcal/mol - -analytic -1.6452e+002 -5.0231e-002 5.5925e+003 6.5139e+001 8.7314e+001 + -analytic -1.6452e+2 -5.0231e-2 5.5925e+3 6.5139e+1 8.7314e+1 # -Range: 0-300 Sn - Sn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Sn++ - log_k 47.8615 - -delta_H -288.558 kJ/mol # Calculated enthalpy of reaction Sn + Sn + 2 H+ + 0.5 O2 = H2O + Sn+2 + log_k 47.8615 + -delta_H -288.558 kJ/mol # Calculated enthalpy of reaction Sn # Enthalpy of formation: 0 kcal/mol - -analytic -1.3075e+002 -3.3807e-002 1.9548e+004 5.0382e+001 -1.3868e+005 + -analytic -1.3075e+2 -3.3807e-2 1.9548e+4 5.0382e+1 -1.3868e+5 # -Range: 0-300 Sn(OH)2 - Sn(OH)2 +2.0000 H+ = + 1.0000 Sn++ + 2.0000 H2O - log_k 1.8400 - -delta_H -19.6891 kJ/mol # Calculated enthalpy of reaction Sn(OH)2 + Sn(OH)2 + 2 H+ = Sn+2 + 2 H2O + log_k 1.84 + -delta_H -19.6891 kJ/mol # Calculated enthalpy of reaction Sn(OH)2 # Enthalpy of formation: -560.774 kJ/mol - -analytic -6.1677e+001 -5.3258e-003 3.3656e+003 2.1748e+001 5.7174e+001 + -analytic -6.1677e+1 -5.3258e-3 3.3656e+3 2.1748e+1 5.7174e+1 # -Range: 0-200 Sn(SO4)2 - Sn(SO4)2 = + 1.0000 Sn++++ + 2.0000 SO4-- - log_k 16.0365 - -delta_H -159.707 kJ/mol # Calculated enthalpy of reaction Sn(SO4)2 + Sn(SO4)2 = Sn+4 + 2 SO4-2 + log_k 16.0365 + -delta_H -159.707 kJ/mol # Calculated enthalpy of reaction Sn(SO4)2 # Enthalpy of formation: -389.4 kcal/mol - -analytic 1.7787e+001 -5.1758e-002 3.7671e+003 4.1861e-001 6.3965e+001 + -analytic 1.7787e+1 -5.1758e-2 3.7671e+3 4.1861e-1 6.3965e+1 # -Range: 0-200 Sn3S4 - Sn3S4 +4.0000 H+ = + 1.0000 Sn++++ + 2.0000 Sn++ + 4.0000 HS- - log_k -61.9790 - -delta_H 318.524 kJ/mol # Calculated enthalpy of reaction Sn3S4 + Sn3S4 + 4 H+ = Sn+4 + 2 Sn+2 + 4 HS- + log_k -61.979 + -delta_H 318.524 kJ/mol # Calculated enthalpy of reaction Sn3S4 # Enthalpy of formation: -88.5 kcal/mol - -analytic -8.1325e+001 -7.4589e-002 -1.7953e+004 4.1138e+001 -3.0484e+002 + -analytic -8.1325e+1 -7.4589e-2 -1.7953e+4 4.1138e+1 -3.0484e+2 # -Range: 0-200 SnBr2 - SnBr2 = + 1.0000 Sn++ + 2.0000 Br- - log_k -1.4369 - -delta_H 8.24248 kJ/mol # Calculated enthalpy of reaction SnBr2 + SnBr2 = Sn+2 + 2 Br- + log_k -1.4369 + -delta_H 8.24248 kJ/mol # Calculated enthalpy of reaction SnBr2 # Enthalpy of formation: -62.15 kcal/mol - -analytic 2.5384e+001 -1.7350e-002 -2.6653e+003 -5.1400e+000 -4.5269e+001 + -analytic 2.5384e+1 -1.735e-2 -2.6653e+3 -5.14e+0 -4.5269e+1 # -Range: 0-200 SnBr4 - SnBr4 = + 1.0000 Sn++++ + 4.0000 Br- - log_k 11.1272 - -delta_H -78.3763 kJ/mol # Calculated enthalpy of reaction SnBr4 + SnBr4 = Sn+4 + 4 Br- + log_k 11.1272 + -delta_H -78.3763 kJ/mol # Calculated enthalpy of reaction SnBr4 # Enthalpy of formation: -377.391 kJ/mol - -analytic 1.3516e+001 -5.5193e-002 -8.1888e+001 5.7935e+000 -1.3940e+000 + -analytic 1.3516e+1 -5.5193e-2 -8.1888e+1 5.7935e+0 -1.394e+0 # -Range: 0-200 SnCl2 - SnCl2 = + 1.0000 Sn++ + 2.0000 Cl- - log_k 0.3225 - -delta_H -11.9913 kJ/mol # Calculated enthalpy of reaction SnCl2 + SnCl2 = Sn+2 + 2 Cl- + log_k 0.3225 + -delta_H -11.9913 kJ/mol # Calculated enthalpy of reaction SnCl2 # Enthalpy of formation: -79.1 kcal/mol - -analytic 7.9717e+000 -2.1475e-002 -1.1676e+003 1.0749e+000 -1.9829e+001 + -analytic 7.9717e+0 -2.1475e-2 -1.1676e+3 1.0749e+0 -1.9829e+1 # -Range: 0-200 SnSO4 - SnSO4 = + 1.0000 SO4-- + 1.0000 Sn++ - log_k -23.9293 - -delta_H 96.232 kJ/mol # Calculated enthalpy of reaction SnSO4 + SnSO4 = SO4-2 + Sn+2 + log_k -23.9293 + -delta_H 96.232 kJ/mol # Calculated enthalpy of reaction SnSO4 # Enthalpy of formation: -242.5 kcal/mol - -analytic 3.0046e+001 -1.4238e-002 -7.5915e+003 -9.8122e+000 -1.2892e+002 + -analytic 3.0046e+1 -1.4238e-2 -7.5915e+3 -9.8122e+0 -1.2892e+2 # -Range: 0-200 SnSe - SnSe = + 1.0000 Se-- + 1.0000 Sn++ - log_k -32.9506 - -delta_H 0 # Not possible to calculate enthalpy of reaction SnSe + SnSe = Se-2 + Sn+2 + log_k -32.9506 + -delta_H 0 # Not possible to calculate enthalpy of reaction SnSe # Enthalpy of formation: -21.2 kcal/mol - -analytic 4.2342e+000 9.5462e-004 -8.0009e+003 -4.2997e+000 -1.3587e+002 + -analytic 4.2342e+0 9.5462e-4 -8.0009e+3 -4.2997e+0 -1.3587e+2 # -Range: 0-200 SnSe2 - SnSe2 = + 1.0000 Sn++++ + 2.0000 Se-- - log_k -66.6570 - -delta_H 0 # Not possible to calculate enthalpy of reaction SnSe2 + SnSe2 = Sn+4 + 2 Se-2 + log_k -66.657 + -delta_H 0 # Not possible to calculate enthalpy of reaction SnSe2 # Enthalpy of formation: -29.8 kcal/mol - -analytic -3.6819e+001 -2.0966e-002 -1.5197e+004 1.1070e+001 -2.5806e+002 + -analytic -3.6819e+1 -2.0966e-2 -1.5197e+4 1.107e+1 -2.5806e+2 # -Range: 0-200 Soddyite - (UO2)2SiO4:2H2O +4.0000 H+ = + 1.0000 SiO2 + 2.0000 UO2++ + 4.0000 H2O - log_k 0.3920 - -delta_H 0 # Not possible to calculate enthalpy of reaction Soddyite + (UO2)2SiO4:2H2O + 4 H+ = SiO2 + 2 UO2+2 + 4 H2O + log_k 0.392 + -delta_H 0 # Not possible to calculate enthalpy of reaction Soddyite # Enthalpy of formation: 0 kcal/mol Sphaerocobaltite - CoCO3 +1.0000 H+ = + 1.0000 Co++ + 1.0000 HCO3- - log_k -0.2331 - -delta_H -30.7064 kJ/mol # Calculated enthalpy of reaction Sphaerocobaltite + CoCO3 + H+ = Co+2 + HCO3- + log_k -0.2331 + -delta_H -30.7064 kJ/mol # Calculated enthalpy of reaction Sphaerocobaltite # Enthalpy of formation: -171.459 kcal/mol - -analytic -1.5709e+002 -4.8957e-002 5.3158e+003 6.2075e+001 8.2995e+001 + -analytic -1.5709e+2 -4.8957e-2 5.3158e+3 6.2075e+1 8.2995e+1 # -Range: 0-300 Sphalerite - ZnS +1.0000 H+ = + 1.0000 HS- + 1.0000 Zn++ - log_k -11.4400 - -delta_H 35.5222 kJ/mol # Calculated enthalpy of reaction Sphalerite + ZnS + H+ = HS- + Zn+2 + log_k -11.44 + -delta_H 35.5222 kJ/mol # Calculated enthalpy of reaction Sphalerite # Enthalpy of formation: -49 kcal/mol - -analytic -1.5497e+002 -4.8953e-002 1.7850e+003 6.1472e+001 2.7899e+001 + -analytic -1.5497e+2 -4.8953e-2 1.785e+3 6.1472e+1 2.7899e+1 # -Range: 0-300 Spinel - Al2MgO4 +8.0000 H+ = + 1.0000 Mg++ + 2.0000 Al+++ + 4.0000 H2O - log_k 37.6295 - -delta_H -398.108 kJ/mol # Calculated enthalpy of reaction Spinel + Al2MgO4 + 8 H+ = Mg+2 + 2 Al+3 + 4 H2O + log_k 37.6295 + -delta_H -398.108 kJ/mol # Calculated enthalpy of reaction Spinel # Enthalpy of formation: -546.847 kcal/mol - -analytic -3.3895e+002 -8.3595e-002 2.9251e+004 1.2260e+002 4.5654e+002 + -analytic -3.3895e+2 -8.3595e-2 2.9251e+4 1.226e+2 4.5654e+2 # -Range: 0-300 Spinel-Co - Co3O4 +8.0000 H+ = + 1.0000 Co++ + 2.0000 Co+++ + 4.0000 H2O - log_k -6.4852 - -delta_H -126.415 kJ/mol # Calculated enthalpy of reaction Spinel-Co + Co3O4 + 8 H+ = Co+2 + 2 Co+3 + 4 H2O + log_k -6.4852 + -delta_H -126.415 kJ/mol # Calculated enthalpy of reaction Spinel-Co # Enthalpy of formation: -891 kJ/mol - -analytic -3.2239e+002 -8.0782e-002 1.4635e+004 1.1755e+002 2.2846e+002 + -analytic -3.2239e+2 -8.0782e-2 1.4635e+4 1.1755e+2 2.2846e+2 # -Range: 0-300 Spodumene - LiAlSi2O6 +4.0000 H+ = + 1.0000 Al+++ + 1.0000 Li+ + 2.0000 H2O + 2.0000 SiO2 - log_k 6.9972 - -delta_H -89.1817 kJ/mol # Calculated enthalpy of reaction Spodumene + LiAlSi2O6 + 4 H+ = Al+3 + Li+ + 2 H2O + 2 SiO2 + log_k 6.9972 + -delta_H -89.1817 kJ/mol # Calculated enthalpy of reaction Spodumene # Enthalpy of formation: -3054.75 kJ/mol - -analytic -9.8111e+000 2.1191e-003 9.6920e+003 -3.0484e+000 -7.8822e+005 + -analytic -9.8111e+0 2.1191e-3 9.692e+3 -3.0484e+0 -7.8822e+5 # -Range: 0-300 Sr - Sr +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Sr++ - log_k 141.7816 - -delta_H -830.679 kJ/mol # Calculated enthalpy of reaction Sr + Sr + 2 H+ + 0.5 O2 = H2O + Sr+2 + log_k 141.7816 + -delta_H -830.679 kJ/mol # Calculated enthalpy of reaction Sr # Enthalpy of formation: 0 kJ/mol - -analytic -1.6271e+002 -3.1212e-002 5.1520e+004 5.9178e+001 -4.8390e+005 + -analytic -1.6271e+2 -3.1212e-2 5.152e+4 5.9178e+1 -4.839e+5 # -Range: 0-300 Sr(NO3)2 - Sr(NO3)2 = + 1.0000 Sr++ + 2.0000 NO3- - log_k 1.1493 - -delta_H 13.7818 kJ/mol # Calculated enthalpy of reaction Sr(NO3)2 + Sr(NO3)2 = Sr+2 + 2 NO3- + log_k 1.1493 + -delta_H 13.7818 kJ/mol # Calculated enthalpy of reaction Sr(NO3)2 # Enthalpy of formation: -978.311 kJ/mol - -analytic 2.8914e+000 -1.2487e-002 -1.4872e+003 2.8124e+000 -2.5256e+001 + -analytic 2.8914e+0 -1.2487e-2 -1.4872e+3 2.8124e+0 -2.5256e+1 # -Range: 0-200 Sr(NO3)2:4H2O - Sr(NO3)2:4H2O = + 1.0000 Sr++ + 2.0000 NO3- + 4.0000 H2O - log_k 0.6976 - -delta_H 47.9045 kJ/mol # Calculated enthalpy of reaction Sr(NO3)2:4H2O + Sr(NO3)2:4H2O = Sr+2 + 2 NO3- + 4 H2O + log_k 0.6976 + -delta_H 47.9045 kJ/mol # Calculated enthalpy of reaction Sr(NO3)2:4H2O # Enthalpy of formation: -2155.79 kJ/mol - -analytic -8.4518e+001 -9.1155e-003 1.0856e+003 3.4061e+001 1.8464e+001 + -analytic -8.4518e+1 -9.1155e-3 1.0856e+3 3.4061e+1 1.8464e+1 # -Range: 0-200 Sr(OH)2 - Sr(OH)2 +2.0000 H+ = + 1.0000 Sr++ + 2.0000 H2O - log_k 27.5229 - -delta_H -153.692 kJ/mol # Calculated enthalpy of reaction Sr(OH)2 + Sr(OH)2 + 2 H+ = Sr+2 + 2 H2O + log_k 27.5229 + -delta_H -153.692 kJ/mol # Calculated enthalpy of reaction Sr(OH)2 # Enthalpy of formation: -968.892 kJ/mol - -analytic -5.1871e+001 -2.9123e-003 1.0175e+004 1.8643e+001 1.7280e+002 + -analytic -5.1871e+1 -2.9123e-3 1.0175e+4 1.8643e+1 1.728e+2 # -Range: 0-200 Sr2SiO4 - Sr2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Sr++ - log_k 42.8076 - -delta_H -244.583 kJ/mol # Calculated enthalpy of reaction Sr2SiO4 + Sr2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Sr+2 + log_k 42.8076 + -delta_H -244.583 kJ/mol # Calculated enthalpy of reaction Sr2SiO4 # Enthalpy of formation: -2306.61 kJ/mol - -analytic 3.0319e+001 2.0204e-003 1.2729e+004 -1.1584e+001 -1.9480e+005 + -analytic 3.0319e+1 2.0204e-3 1.2729e+4 -1.1584e+1 -1.948e+5 # -Range: 0-300 Sr3(AsO4)2 - Sr3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Sr++ - log_k 20.6256 - -delta_H -152.354 kJ/mol # Calculated enthalpy of reaction Sr3(AsO4)2 + Sr3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Sr+2 + log_k 20.6256 + -delta_H -152.354 kJ/mol # Calculated enthalpy of reaction Sr3(AsO4)2 # Enthalpy of formation: -3319.49 kJ/mol - -analytic -8.4749e+001 -2.9367e-002 9.5849e+003 3.3126e+001 1.6279e+002 + -analytic -8.4749e+1 -2.9367e-2 9.5849e+3 3.3126e+1 1.6279e+2 # -Range: 0-200 SrBr2 - SrBr2 = + 1.0000 Sr++ + 2.0000 Br- - log_k 13.1128 - -delta_H -75.106 kJ/mol # Calculated enthalpy of reaction SrBr2 + SrBr2 = Sr+2 + 2 Br- + log_k 13.1128 + -delta_H -75.106 kJ/mol # Calculated enthalpy of reaction SrBr2 # Enthalpy of formation: -718.808 kJ/mol - -analytic -1.8512e+002 -7.2423e-002 7.6861e+003 7.8401e+001 1.1999e+002 + -analytic -1.8512e+2 -7.2423e-2 7.6861e+3 7.8401e+1 1.1999e+2 # -Range: 0-300 SrBr2:6H2O - SrBr2:6H2O = + 1.0000 Sr++ + 2.0000 Br- + 6.0000 H2O - log_k 3.6678 - -delta_H 23.367 kJ/mol # Calculated enthalpy of reaction SrBr2:6H2O + SrBr2:6H2O = Sr+2 + 2 Br- + 6 H2O + log_k 3.6678 + -delta_H 23.367 kJ/mol # Calculated enthalpy of reaction SrBr2:6H2O # Enthalpy of formation: -2532.31 kJ/mol - -analytic -2.2470e+002 -6.7920e-002 4.9432e+003 9.3758e+001 7.7200e+001 + -analytic -2.247e+2 -6.792e-2 4.9432e+3 9.3758e+1 7.72e+1 # -Range: 0-300 SrBr2:H2O - SrBr2:H2O = + 1.0000 H2O + 1.0000 Sr++ + 2.0000 Br- - log_k 9.6057 - -delta_H -47.5853 kJ/mol # Calculated enthalpy of reaction SrBr2:H2O + SrBr2:H2O = H2O + Sr+2 + 2 Br- + log_k 9.6057 + -delta_H -47.5853 kJ/mol # Calculated enthalpy of reaction SrBr2:H2O # Enthalpy of formation: -1032.17 kJ/mol - -analytic -1.9103e+002 -7.1402e-002 6.6358e+003 8.0673e+001 1.0360e+002 + -analytic -1.9103e+2 -7.1402e-2 6.6358e+3 8.0673e+1 1.036e+2 # -Range: 0-300 SrCl2 - SrCl2 = + 1.0000 Sr++ + 2.0000 Cl- - log_k 7.9389 - -delta_H -55.0906 kJ/mol # Calculated enthalpy of reaction SrCl2 + SrCl2 = Sr+2 + 2 Cl- + log_k 7.9389 + -delta_H -55.0906 kJ/mol # Calculated enthalpy of reaction SrCl2 # Enthalpy of formation: -829.976 kJ/mol - -analytic -2.0097e+002 -7.6193e-002 7.0396e+003 8.4050e+001 1.0991e+002 + -analytic -2.0097e+2 -7.6193e-2 7.0396e+3 8.405e+1 1.0991e+2 # -Range: 0-300 SrCl2:2H2O - SrCl2:2H2O = + 1.0000 Sr++ + 2.0000 Cl- + 2.0000 H2O - log_k 3.3248 - -delta_H -17.7313 kJ/mol # Calculated enthalpy of reaction SrCl2:2H2O + SrCl2:2H2O = Sr+2 + 2 Cl- + 2 H2O + log_k 3.3248 + -delta_H -17.7313 kJ/mol # Calculated enthalpy of reaction SrCl2:2H2O # Enthalpy of formation: -1439.01 kJ/mol - -analytic -2.1551e+002 -7.4349e-002 5.9400e+003 8.9330e+001 9.2752e+001 + -analytic -2.1551e+2 -7.4349e-2 5.94e+3 8.933e+1 9.2752e+1 # -Range: 0-300 SrCl2:6H2O - SrCl2:6H2O = + 1.0000 Sr++ + 2.0000 Cl- + 6.0000 H2O - log_k 1.5038 - -delta_H 24.6964 kJ/mol # Calculated enthalpy of reaction SrCl2:6H2O + SrCl2:6H2O = Sr+2 + 2 Cl- + 6 H2O + log_k 1.5038 + -delta_H 24.6964 kJ/mol # Calculated enthalpy of reaction SrCl2:6H2O # Enthalpy of formation: -2624.79 kJ/mol - -analytic -1.3225e+002 -1.8260e-002 3.7077e+003 5.1224e+001 6.3008e+001 + -analytic -1.3225e+2 -1.826e-2 3.7077e+3 5.1224e+1 6.3008e+1 # -Range: 0-200 SrCl2:H2O - SrCl2:H2O = + 1.0000 H2O + 1.0000 Sr++ + 2.0000 Cl- - log_k 4.7822 - -delta_H -33.223 kJ/mol # Calculated enthalpy of reaction SrCl2:H2O + SrCl2:H2O = H2O + Sr+2 + 2 Cl- + log_k 4.7822 + -delta_H -33.223 kJ/mol # Calculated enthalpy of reaction SrCl2:H2O # Enthalpy of formation: -1137.68 kJ/mol - -analytic -2.1825e+002 -7.7851e-002 6.5957e+003 9.0555e+001 1.0298e+002 + -analytic -2.1825e+2 -7.7851e-2 6.5957e+3 9.0555e+1 1.0298e+2 # -Range: 0-300 SrCrO4 - SrCrO4 = + 1.0000 CrO4-- + 1.0000 Sr++ - log_k -3.8849 - -delta_H -1.73636 kJ/mol # Calculated enthalpy of reaction SrCrO4 + SrCrO4 = CrO4-2 + Sr+2 + log_k -3.8849 + -delta_H -1.73636 kJ/mol # Calculated enthalpy of reaction SrCrO4 # Enthalpy of formation: -341.855 kcal/mol - -analytic 2.3424e+001 -1.5589e-002 -2.1393e+003 -6.2628e+000 -3.6337e+001 + -analytic 2.3424e+1 -1.5589e-2 -2.1393e+3 -6.2628e+0 -3.6337e+1 # -Range: 0-200 SrF2 - SrF2 = + 1.0000 Sr++ + 2.0000 F- - log_k -8.5400 - -delta_H 0 # Not possible to calculate enthalpy of reaction SrF2 + SrF2 = Sr+2 + 2 F- + log_k -8.54 + -delta_H 0 # Not possible to calculate enthalpy of reaction SrF2 # Enthalpy of formation: 0 kcal/mol SrHPO4 - SrHPO4 = + 1.0000 HPO4-- + 1.0000 Sr++ - log_k -6.2416 - -delta_H -19.7942 kJ/mol # Calculated enthalpy of reaction SrHPO4 + SrHPO4 = HPO4-2 + Sr+2 + log_k -6.2416 + -delta_H -19.7942 kJ/mol # Calculated enthalpy of reaction SrHPO4 # Enthalpy of formation: -1823.19 kJ/mol - -analytic 5.4057e+000 -1.8533e-002 -8.2021e+002 -1.3667e+000 -1.3930e+001 + -analytic 5.4057e+0 -1.8533e-2 -8.2021e+2 -1.3667e+0 -1.393e+1 # -Range: 0-200 SrI2 - SrI2 = + 1.0000 Sr++ + 2.0000 I- - log_k 19.2678 - -delta_H -103.218 kJ/mol # Calculated enthalpy of reaction SrI2 + SrI2 = Sr+2 + 2 I- + log_k 19.2678 + -delta_H -103.218 kJ/mol # Calculated enthalpy of reaction SrI2 # Enthalpy of formation: -561.494 kJ/mol - -analytic -1.8168e+002 -7.2083e-002 9.0759e+003 7.7577e+001 1.4167e+002 + -analytic -1.8168e+2 -7.2083e-2 9.0759e+3 7.7577e+1 1.4167e+2 # -Range: 0-300 SrO - SrO +2.0000 H+ = + 1.0000 H2O + 1.0000 Sr++ - log_k 41.8916 - -delta_H -243.875 kJ/mol # Calculated enthalpy of reaction SrO + SrO + 2 H+ = H2O + Sr+2 + log_k 41.8916 + -delta_H -243.875 kJ/mol # Calculated enthalpy of reaction SrO # Enthalpy of formation: -592.871 kJ/mol - -analytic -5.8463e+001 -1.4240e-002 1.4417e+004 2.2725e+001 2.2499e+002 + -analytic -5.8463e+1 -1.424e-2 1.4417e+4 2.2725e+1 2.2499e+2 # -Range: 0-300 SrS - SrS +1.0000 H+ = + 1.0000 HS- + 1.0000 Sr++ - log_k 14.7284 - -delta_H -93.3857 kJ/mol # Calculated enthalpy of reaction SrS + SrS + H+ = HS- + Sr+2 + log_k 14.7284 + -delta_H -93.3857 kJ/mol # Calculated enthalpy of reaction SrS # Enthalpy of formation: -473.63 kJ/mol - -analytic -1.3048e+002 -4.4837e-002 7.8429e+003 5.3442e+001 1.2242e+002 + -analytic -1.3048e+2 -4.4837e-2 7.8429e+3 5.3442e+1 1.2242e+2 # -Range: 0-300 SrSeO4 - SrSeO4 = + 1.0000 SeO4-- + 1.0000 Sr++ - log_k -4.4000 - -delta_H 0 # Not possible to calculate enthalpy of reaction SrSeO4 + SrSeO4 = SeO4-2 + Sr+2 + log_k -4.4 + -delta_H 0 # Not possible to calculate enthalpy of reaction SrSeO4 # Enthalpy of formation: 0 kcal/mol SrSiO3 - SrSiO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 SiO2 + 1.0000 Sr++ - log_k 14.8438 - -delta_H -79.6112 kJ/mol # Calculated enthalpy of reaction SrSiO3 + SrSiO3 + 2 H+ = H2O + SiO2 + Sr+2 + log_k 14.8438 + -delta_H -79.6112 kJ/mol # Calculated enthalpy of reaction SrSiO3 # Enthalpy of formation: -1634.83 kJ/mol - -analytic 2.2592e+001 6.0821e-003 5.9982e+003 -1.0213e+001 -3.9529e+005 + -analytic 2.2592e+1 6.0821e-3 5.9982e+3 -1.0213e+1 -3.9529e+5 # -Range: 0-300 SrUO4(alpha) - SrUO4 +4.0000 H+ = + 1.0000 Sr++ + 1.0000 UO2++ + 2.0000 H2O - log_k 19.1650 - -delta_H -151.984 kJ/mol # Calculated enthalpy of reaction SrUO4(alpha) + SrUO4 + 4 H+ = Sr+2 + UO2+2 + 2 H2O + log_k 19.165 + -delta_H -151.984 kJ/mol # Calculated enthalpy of reaction SrUO4(alpha) # Enthalpy of formation: -1989.6 kJ/mol - -analytic -7.4169e+001 -1.6686e-002 9.8721e+003 2.6345e+001 1.5407e+002 + -analytic -7.4169e+1 -1.6686e-2 9.8721e+3 2.6345e+1 1.5407e+2 # -Range: 0-300 SrZrO3 - SrZrO3 +4.0000 H+ = + 1.0000 H2O + 1.0000 Sr++ + 1.0000 Zr(OH)2++ - log_k -131.4664 - -delta_H 706.983 kJ/mol # Calculated enthalpy of reaction SrZrO3 + SrZrO3 + 4 H+ = H2O + Sr+2 + Zr(OH)2+2 + log_k -131.4664 + -delta_H 706.983 kJ/mol # Calculated enthalpy of reaction SrZrO3 # Enthalpy of formation: -629.677 kcal/mol - -analytic -5.8512e+001 -9.5738e-003 -3.5254e+004 1.9459e+001 -5.9865e+002 + -analytic -5.8512e+1 -9.5738e-3 -3.5254e+4 1.9459e+1 -5.9865e+2 # -Range: 0-200 Starkeyite - MgSO4:4H2O = + 1.0000 Mg++ + 1.0000 SO4-- + 4.0000 H2O - log_k -0.9999 - -delta_H 0 # Not possible to calculate enthalpy of reaction Starkeyite + MgSO4:4H2O = Mg+2 + SO4-2 + 4 H2O + log_k -0.9999 + -delta_H 0 # Not possible to calculate enthalpy of reaction Starkeyite # Enthalpy of formation: 0 kcal/mol Stibnite - Sb2S3 +6.0000 H2O = + 2.0000 Sb(OH)3 + 3.0000 H+ + 3.0000 HS- - log_k -53.1100 - -delta_H 0 # Not possible to calculate enthalpy of reaction Stibnite + Sb2S3 + 6 H2O = 2 Sb(OH)3 + 3 H+ + 3 HS- + log_k -53.11 + -delta_H 0 # Not possible to calculate enthalpy of reaction Stibnite # Enthalpy of formation: 0 kcal/mol - -analytic 2.5223e+001 -5.9186e-002 -2.0860e+004 3.6892e+000 -3.2551e+002 + -analytic 2.5223e+1 -5.9186e-2 -2.086e+4 3.6892e+0 -3.2551e+2 # -Range: 0-300 Stilbite - Ca1.019Na.136K.006Al2.18Si6.82O18:7.33H2O +8.7200 H+ = + 0.0060 K+ + 0.1360 Na+ + 1.0190 Ca++ + 2.1800 Al+++ + 6.8200 SiO2 + 11.6900 H2O - log_k 1.0545 - -delta_H -83.0019 kJ/mol # Calculated enthalpy of reaction Stilbite + Ca1.019Na.136K.006Al2.18Si6.82O18:7.33H2O + 8.72 H+ = 0.006 K+ + 0.136 Na+ + 1.019 Ca+2 + 2.18 Al+3 + 6.82 SiO2 + 11.69 H2O + log_k 1.0545 + -delta_H -83.0019 kJ/mol # Calculated enthalpy of reaction Stilbite # Enthalpy of formation: -11005.7 kJ/mol - -analytic -2.4483e+001 3.0987e-002 2.8013e+004 -1.5802e+001 -3.4491e+006 + -analytic -2.4483e+1 3.0987e-2 2.8013e+4 -1.5802e+1 -3.4491e+6 # -Range: 0-300 Stilleite - ZnSe = + 1.0000 Se-- + 1.0000 Zn++ - log_k -23.9693 - -delta_H 0 # Not possible to calculate enthalpy of reaction Stilleite + ZnSe = Se-2 + Zn+2 + log_k -23.9693 + -delta_H 0 # Not possible to calculate enthalpy of reaction Stilleite # Enthalpy of formation: -37.97 kcal/mol - -analytic -6.1948e+001 -1.7004e-002 -2.4498e+003 2.0712e+001 -3.8209e+001 + -analytic -6.1948e+1 -1.7004e-2 -2.4498e+3 2.0712e+1 -3.8209e+1 # -Range: 0-300 Strengite - FePO4:2H2O +1.0000 H+ = + 1.0000 Fe+++ + 1.0000 HPO4-- + 2.0000 H2O - log_k -11.3429 - -delta_H -37.107 kJ/mol # Calculated enthalpy of reaction Strengite + FePO4:2H2O + H+ = Fe+3 + HPO4-2 + 2 H2O + log_k -11.3429 + -delta_H -37.107 kJ/mol # Calculated enthalpy of reaction Strengite # Enthalpy of formation: -1876.23 kJ/mol - -analytic -2.7752e+002 -9.4014e-002 7.6862e+003 1.0846e+002 1.2002e+002 + -analytic -2.7752e+2 -9.4014e-2 7.6862e+3 1.0846e+2 1.2002e+2 # -Range: 0-300 Strontianite - SrCO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 Sr++ - log_k -0.3137 - -delta_H -8.23411 kJ/mol # Calculated enthalpy of reaction Strontianite + SrCO3 + H+ = HCO3- + Sr+2 + log_k -0.3137 + -delta_H -8.23411 kJ/mol # Calculated enthalpy of reaction Strontianite # Enthalpy of formation: -294.6 kcal/mol - -analytic -1.3577e+002 -4.4884e-002 3.5729e+003 5.5296e+001 5.5791e+001 + -analytic -1.3577e+2 -4.4884e-2 3.5729e+3 5.5296e+1 5.5791e+1 # -Range: 0-300 Sylvite - KCl = + 1.0000 Cl- + 1.0000 K+ - log_k 0.8459 - -delta_H 17.4347 kJ/mol # Calculated enthalpy of reaction Sylvite + KCl = Cl- + K+ + log_k 0.8459 + -delta_H 17.4347 kJ/mol # Calculated enthalpy of reaction Sylvite # Enthalpy of formation: -104.37 kcal/mol - -analytic -8.1204e+001 -3.3074e-002 8.2819e+002 3.6014e+001 1.2947e+001 + -analytic -8.1204e+1 -3.3074e-2 8.2819e+2 3.6014e+1 1.2947e+1 # -Range: 0-300 Syngenite - K2Ca(SO4)2:H2O = + 1.0000 Ca++ + 1.0000 H2O + 2.0000 K+ + 2.0000 SO4-- - log_k -7.6001 - -delta_H 0 # Not possible to calculate enthalpy of reaction Syngenite + K2Ca(SO4)2:H2O = Ca+2 + H2O + 2 K+ + 2 SO4-2 + log_k -7.6001 + -delta_H 0 # Not possible to calculate enthalpy of reaction Syngenite # Enthalpy of formation: 0 kcal/mol Tachyhydrite - Mg2CaCl6:12H2O = + 1.0000 Ca++ + 2.0000 Mg++ + 6.0000 Cl- + 12.0000 H2O - log_k 17.1439 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tachyhydrite + Mg2CaCl6:12H2O = Ca+2 + 2 Mg+2 + 6 Cl- + 12 H2O + log_k 17.1439 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tachyhydrite # Enthalpy of formation: 0 kcal/mol Talc - Mg3Si4O10(OH)2 +6.0000 H+ = + 3.0000 Mg++ + 4.0000 H2O + 4.0000 SiO2 - log_k 21.1383 - -delta_H -148.737 kJ/mol # Calculated enthalpy of reaction Talc + Mg3Si4O10(OH)2 + 6 H+ = 3 Mg+2 + 4 H2O + 4 SiO2 + log_k 21.1383 + -delta_H -148.737 kJ/mol # Calculated enthalpy of reaction Talc # Enthalpy of formation: -1410.92 kcal/mol - -analytic 1.1164e+001 2.4724e-002 1.9810e+004 -1.7568e+001 -1.8241e+006 + -analytic 1.1164e+1 2.4724e-2 1.981e+4 -1.7568e+1 -1.8241e+6 # -Range: 0-300 Tarapacaite - K2CrO4 = + 1.0000 CrO4-- + 2.0000 K+ - log_k -0.4037 - -delta_H 17.8238 kJ/mol # Calculated enthalpy of reaction Tarapacaite + K2CrO4 = CrO4-2 + 2 K+ + log_k -0.4037 + -delta_H 17.8238 kJ/mol # Calculated enthalpy of reaction Tarapacaite # Enthalpy of formation: -335.4 kcal/mol - -analytic 2.7953e+001 -1.0863e-002 -2.7589e+003 -6.4154e+000 -4.6859e+001 + -analytic 2.7953e+1 -1.0863e-2 -2.7589e+3 -6.4154e+0 -4.6859e+1 # -Range: 0-200 Tb - Tb +3.0000 H+ +0.7500 O2 = + 1.0000 Tb+++ + 1.5000 H2O - log_k 181.4170 - -delta_H -1117.97 kJ/mol # Calculated enthalpy of reaction Tb + Tb + 3 H+ + 0.75 O2 = Tb+3 + 1.5 H2O + log_k 181.417 + -delta_H -1117.97 kJ/mol # Calculated enthalpy of reaction Tb # Enthalpy of formation: 0 kJ/mol - -analytic -5.2354e+001 -2.6920e-002 5.8391e+004 1.8555e+001 9.1115e+002 + -analytic -5.2354e+1 -2.692e-2 5.8391e+4 1.8555e+1 9.1115e+2 # -Range: 0-300 Tb(OH)3 - Tb(OH)3 +3.0000 H+ = + 1.0000 Tb+++ + 3.0000 H2O - log_k 15.6852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(OH)3 + Tb(OH)3 + 3 H+ = Tb+3 + 3 H2O + log_k 15.6852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(OH)3 # Enthalpy of formation: 0 kcal/mol Tb(OH)3(am) - Tb(OH)3 +3.0000 H+ = + 1.0000 Tb+++ + 3.0000 H2O - log_k 18.7852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(OH)3(am) + Tb(OH)3 + 3 H+ = Tb+3 + 3 H2O + log_k 18.7852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tb(OH)3(am) # Enthalpy of formation: 0 kcal/mol Tb2(CO3)3 - Tb2(CO3)3 +3.0000 H+ = + 2.0000 Tb+++ + 3.0000 HCO3- - log_k -3.2136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tb2(CO3)3 + Tb2(CO3)3 + 3 H+ = 2 Tb+3 + 3 HCO3- + log_k -3.2136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tb2(CO3)3 # Enthalpy of formation: 0 kcal/mol Tb2O3 - Tb2O3 +6.0000 H+ = + 2.0000 Tb+++ + 3.0000 H2O - log_k 47.1000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tb2O3 + Tb2O3 + 6 H+ = 2 Tb+3 + 3 H2O + log_k 47.1 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tb2O3 # Enthalpy of formation: 0 kcal/mol TbF3:.5H2O - TbF3:.5H2O = + 0.5000 H2O + 1.0000 Tb+++ + 3.0000 F- - log_k -16.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction TbF3:.5H2O + TbF3:.5H2O = 0.5 H2O + Tb+3 + 3 F- + log_k -16.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction TbF3:.5H2O # Enthalpy of formation: 0 kcal/mol TbPO4:10H2O - TbPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Tb+++ + 10.0000 H2O - log_k -11.9782 - -delta_H 0 # Not possible to calculate enthalpy of reaction TbPO4:10H2O + TbPO4:10H2O + H+ = HPO4-2 + Tb+3 + 10 H2O + log_k -11.9782 + -delta_H 0 # Not possible to calculate enthalpy of reaction TbPO4:10H2O # Enthalpy of formation: 0 kcal/mol Tc - Tc +1.7500 O2 +0.5000 H2O = + 1.0000 H+ + 1.0000 TcO4- - log_k 93.5811 - -delta_H -552.116 kJ/mol # Calculated enthalpy of reaction Tc + Tc + 1.75 O2 + 0.5 H2O = H+ + TcO4- + log_k 93.5811 + -delta_H -552.116 kJ/mol # Calculated enthalpy of reaction Tc # Enthalpy of formation: 0 kJ/mol - -analytic 2.2670e+001 -1.2050e-002 3.0174e+004 -8.4053e+000 -5.2577e+005 + -analytic 2.267e+1 -1.205e-2 3.0174e+4 -8.4053e+0 -5.2577e+5 # -Range: 0-300 Tc(OH)2 - Tc(OH)2 +3.0000 H+ +0.2500 O2 = + 1.0000 Tc+++ + 2.5000 H2O - log_k 5.2714 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tc(OH)2 + Tc(OH)2 + 3 H+ + 0.25 O2 = Tc+3 + 2.5 H2O + log_k 5.2714 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tc(OH)2 # Enthalpy of formation: 0 kcal/mol Tc(OH)3 - Tc(OH)3 +3.0000 H+ = + 1.0000 Tc+++ + 3.0000 H2O - log_k -9.2425 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tc(OH)3 + Tc(OH)3 + 3 H+ = Tc+3 + 3 H2O + log_k -9.2425 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tc(OH)3 # Enthalpy of formation: 0 kcal/mol Tc2O7 - Tc2O7 +1.0000 H2O = + 2.0000 H+ + 2.0000 TcO4- - log_k 13.1077 - -delta_H -26.5357 kJ/mol # Calculated enthalpy of reaction Tc2O7 + Tc2O7 + H2O = 2 H+ + 2 TcO4- + log_k 13.1077 + -delta_H -26.5357 kJ/mol # Calculated enthalpy of reaction Tc2O7 # Enthalpy of formation: -1120.16 kJ/mol - -analytic 8.7535e+001 1.5366e-002 -1.1919e+003 -3.0317e+001 -2.0271e+001 + -analytic 8.7535e+1 1.5366e-2 -1.1919e+3 -3.0317e+1 -2.0271e+1 # -Range: 0-200 Tc2S7 - Tc2S7 +8.0000 H2O = + 2.0000 TcO4- + 7.0000 HS- + 9.0000 H+ - log_k -230.2410 - -delta_H 1356.41 kJ/mol # Calculated enthalpy of reaction Tc2S7 + Tc2S7 + 8 H2O = 2 TcO4- + 7 HS- + 9 H+ + log_k -230.241 + -delta_H 1356.41 kJ/mol # Calculated enthalpy of reaction Tc2S7 # Enthalpy of formation: -615 kJ/mol - -analytic 2.4560e+002 -4.3355e-002 -8.4192e+004 -7.2967e+001 -1.4298e+003 + -analytic 2.456e+2 -4.3355e-2 -8.4192e+4 -7.2967e+1 -1.4298e+3 # -Range: 0-200 Tc3O4 - Tc3O4 +9.0000 H+ +0.2500 O2 = + 3.0000 Tc+++ + 4.5000 H2O - log_k -19.2271 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tc3O4 + Tc3O4 + 9 H+ + 0.25 O2 = 3 Tc+3 + 4.5 H2O + log_k -19.2271 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tc3O4 # Enthalpy of formation: 0 kcal/mol Tc4O7 - Tc4O7 +10.0000 H+ = + 2.0000 Tc+++ + 2.0000 TcO++ + 5.0000 H2O - log_k -26.0149 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tc4O7 + Tc4O7 + 10 H+ = 2 Tc+3 + 2 TcO+2 + 5 H2O + log_k -26.0149 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tc4O7 # Enthalpy of formation: 0 kcal/mol TcO2:2H2O(am) - TcO2:2H2O +2.0000 H+ = + 1.0000 TcO++ + 3.0000 H2O - log_k -4.2319 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcO2:2H2O(am) + TcO2:2H2O + 2 H+ = TcO+2 + 3 H2O + log_k -4.2319 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcO2:2H2O(am) # Enthalpy of formation: 0 kcal/mol TcO3 - TcO3 +1.0000 H2O = + 1.0000 TcO4-- + 2.0000 H+ - log_k -23.1483 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcO3 + TcO3 + H2O = TcO4-2 + 2 H+ + log_k -23.1483 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcO3 # Enthalpy of formation: -540 kJ/mol TcOH - TcOH +3.0000 H+ +0.5000 O2 = + 1.0000 Tc+++ + 2.0000 H2O - log_k 24.9009 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcOH + TcOH + 3 H+ + 0.5 O2 = Tc+3 + 2 H2O + log_k 24.9009 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcOH # Enthalpy of formation: 0 kcal/mol TcS2 - TcS2 +1.0000 H2O = + 1.0000 TcO++ + 2.0000 HS- - log_k -65.9742 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcS2 + TcS2 + H2O = TcO+2 + 2 HS- + log_k -65.9742 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcS2 # Enthalpy of formation: -224 kJ/mol TcS3 - TcS3 +4.0000 H2O = + 1.0000 TcO4-- + 3.0000 HS- + 5.0000 H+ - log_k -119.5008 - -delta_H 0 # Not possible to calculate enthalpy of reaction TcS3 + TcS3 + 4 H2O = TcO4-2 + 3 HS- + 5 H+ + log_k -119.5008 + -delta_H 0 # Not possible to calculate enthalpy of reaction TcS3 # Enthalpy of formation: -276 kJ/mol Tenorite - CuO +2.0000 H+ = + 1.0000 Cu++ + 1.0000 H2O - log_k 7.6560 - -delta_H -64.5047 kJ/mol # Calculated enthalpy of reaction Tenorite + CuO + 2 H+ = Cu+2 + H2O + log_k 7.656 + -delta_H -64.5047 kJ/mol # Calculated enthalpy of reaction Tenorite # Enthalpy of formation: -37.2 kcal/mol - -analytic -8.9899e+001 -1.8886e-002 6.0346e+003 3.3517e+001 9.4191e+001 + -analytic -8.9899e+1 -1.8886e-2 6.0346e+3 3.3517e+1 9.4191e+1 # -Range: 0-300 Tephroite - Mn2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Mn++ - log_k 23.0781 - -delta_H -160.1 kJ/mol # Calculated enthalpy of reaction Tephroite + Mn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Mn+2 + log_k 23.0781 + -delta_H -160.1 kJ/mol # Calculated enthalpy of reaction Tephroite # Enthalpy of formation: -1730.47 kJ/mol - -analytic -3.2440e+001 -1.1023e-002 8.8910e+003 1.1691e+001 1.3875e+002 + -analytic -3.244e+1 -1.1023e-2 8.891e+3 1.1691e+1 1.3875e+2 # -Range: 0-300 Th - Th +4.0000 H+ +1.0000 O2 = + 1.0000 Th++++ + 2.0000 H2O - log_k 209.6028 - -delta_H -1328.56 kJ/mol # Calculated enthalpy of reaction Th + Th + 4 H+ + O2 = Th+4 + 2 H2O + log_k 209.6028 + -delta_H -1328.56 kJ/mol # Calculated enthalpy of reaction Th # Enthalpy of formation: 0 kJ/mol - -analytic -2.8256e+001 -1.1963e-002 6.8870e+004 4.2068e+000 1.0747e+003 + -analytic -2.8256e+1 -1.1963e-2 6.887e+4 4.2068e+0 1.0747e+3 # -Range: 0-300 Th(NO3)4:5H2O - Th(NO3)4:5H2O = + 1.0000 Th++++ + 4.0000 NO3- + 5.0000 H2O - log_k 1.7789 - -delta_H -18.1066 kJ/mol # Calculated enthalpy of reaction Th(NO3)4:5H2O + Th(NO3)4:5H2O = Th+4 + 4 NO3- + 5 H2O + log_k 1.7789 + -delta_H -18.1066 kJ/mol # Calculated enthalpy of reaction Th(NO3)4:5H2O # Enthalpy of formation: -3007.35 kJ/mol - -analytic -1.2480e+002 -2.0405e-002 5.1601e+003 4.6613e+001 8.7669e+001 + -analytic -1.248e+2 -2.0405e-2 5.1601e+3 4.6613e+1 8.7669e+1 # -Range: 0-200 Th(OH)4 - Th(OH)4 +4.0000 H+ = + 1.0000 Th++++ + 4.0000 H2O - log_k 9.6543 - -delta_H -140.336 kJ/mol # Calculated enthalpy of reaction Th(OH)4 + Th(OH)4 + 4 H+ = Th+4 + 4 H2O + log_k 9.6543 + -delta_H -140.336 kJ/mol # Calculated enthalpy of reaction Th(OH)4 # Enthalpy of formation: -423.527 kcal/mol - -analytic -1.4031e+002 -9.2493e-003 1.2345e+004 4.4990e+001 2.0968e+002 + -analytic -1.4031e+2 -9.2493e-3 1.2345e+4 4.499e+1 2.0968e+2 # -Range: 0-200 Th(SO4)2 - Th(SO4)2 = + 1.0000 Th++++ + 2.0000 SO4-- - log_k -20.3006 - -delta_H -46.1064 kJ/mol # Calculated enthalpy of reaction Th(SO4)2 + Th(SO4)2 = Th+4 + 2 SO4-2 + log_k -20.3006 + -delta_H -46.1064 kJ/mol # Calculated enthalpy of reaction Th(SO4)2 # Enthalpy of formation: -2542.12 kJ/mol - -analytic -8.4525e+000 -3.5442e-002 0.0000e+000 0.0000e+000 -1.1540e+005 + -analytic -8.4525e+0 -3.5442e-2 0e+0 0e+0 -1.154e+5 # -Range: 0-200 Th2S3 - Th2S3 +5.0000 H+ +0.5000 O2 = + 1.0000 H2O + 2.0000 Th++++ + 3.0000 HS- - log_k 95.2290 - -delta_H -783.243 kJ/mol # Calculated enthalpy of reaction Th2S3 + Th2S3 + 5 H+ + 0.5 O2 = H2O + 2 Th+4 + 3 HS- + log_k 95.229 + -delta_H -783.243 kJ/mol # Calculated enthalpy of reaction Th2S3 # Enthalpy of formation: -1082.89 kJ/mol - -analytic -3.2969e+002 -1.1090e-001 4.6877e+004 1.2152e+002 7.3157e+002 + -analytic -3.2969e+2 -1.109e-1 4.6877e+4 1.2152e+2 7.3157e+2 # -Range: 0-300 Th2Se3 - Th2Se3 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 2.0000 Th++++ + 3.0000 Se-- - log_k 59.1655 - -delta_H 0 # Not possible to calculate enthalpy of reaction Th2Se3 + Th2Se3 + 2 H+ + 0.5 O2 = H2O + 2 Th+4 + 3 Se-2 + log_k 59.1655 + -delta_H 0 # Not possible to calculate enthalpy of reaction Th2Se3 # Enthalpy of formation: -224 kcal/mol - -analytic -1.0083e+001 6.0240e-003 3.4039e+004 -1.8884e+001 5.7804e+002 + -analytic -1.0083e+1 6.024e-3 3.4039e+4 -1.8884e+1 5.7804e+2 # -Range: 0-200 Th7S12 - Th7S12 +16.0000 H+ +1.0000 O2 = + 2.0000 H2O + 7.0000 Th++++ + 12.0000 HS- - log_k 204.0740 - -delta_H -1999.4 kJ/mol # Calculated enthalpy of reaction Th7S12 + Th7S12 + 16 H+ + O2 = 2 H2O + 7 Th+4 + 12 HS- + log_k 204.074 + -delta_H -1999.4 kJ/mol # Calculated enthalpy of reaction Th7S12 # Enthalpy of formation: -4136.58 kJ/mol - -analytic -2.1309e+002 -1.4149e-001 9.8550e+004 5.2042e+001 1.6736e+003 + -analytic -2.1309e+2 -1.4149e-1 9.855e+4 5.2042e+1 1.6736e+3 # -Range: 0-200 ThBr4 - ThBr4 = + 1.0000 Th++++ + 4.0000 Br- - log_k 34.0803 - -delta_H -290.23 kJ/mol # Calculated enthalpy of reaction ThBr4 + ThBr4 = Th+4 + 4 Br- + log_k 34.0803 + -delta_H -290.23 kJ/mol # Calculated enthalpy of reaction ThBr4 # Enthalpy of formation: -964.803 kJ/mol - -analytic 2.9902e+001 -3.3109e-002 1.0988e+004 -9.2209e+000 1.8657e+002 + -analytic 2.9902e+1 -3.3109e-2 1.0988e+4 -9.2209e+0 1.8657e+2 # -Range: 0-200 ThCl4 - ThCl4 = + 1.0000 Th++++ + 4.0000 Cl- - log_k 23.8491 - -delta_H -251.094 kJ/mol # Calculated enthalpy of reaction ThCl4 + ThCl4 = Th+4 + 4 Cl- + log_k 23.8491 + -delta_H -251.094 kJ/mol # Calculated enthalpy of reaction ThCl4 # Enthalpy of formation: -283.519 kcal/mol - -analytic -5.9340e+000 -4.1640e-002 9.8623e+003 3.6804e+000 1.6748e+002 + -analytic -5.934e+0 -4.164e-2 9.8623e+3 3.6804e+0 1.6748e+2 # -Range: 0-200 ThF4 - ThF4 = + 1.0000 Th++++ + 4.0000 F- - log_k -29.9946 - -delta_H -12.6733 kJ/mol # Calculated enthalpy of reaction ThF4 + ThF4 = Th+4 + 4 F- + log_k -29.9946 + -delta_H -12.6733 kJ/mol # Calculated enthalpy of reaction ThF4 # Enthalpy of formation: -501.371 kcal/mol - -analytic -4.2622e+002 -1.4222e-001 9.4201e+003 1.6446e+002 1.4712e+002 + -analytic -4.2622e+2 -1.4222e-1 9.4201e+3 1.6446e+2 1.4712e+2 # -Range: 0-300 ThF4:2.5H2O - ThF4:2.5H2O = + 1.0000 Th++++ + 2.5000 H2O + 4.0000 F- - log_k -31.8568 - -delta_H 22.6696 kJ/mol # Calculated enthalpy of reaction ThF4:2.5H2O + ThF4:2.5H2O = Th+4 + 2.5 H2O + 4 F- + log_k -31.8568 + -delta_H 22.6696 kJ/mol # Calculated enthalpy of reaction ThF4:2.5H2O # Enthalpy of formation: -2847.68 kJ/mol - -analytic -1.1284e+002 -4.5422e-002 -2.5781e+002 3.8547e+001 -4.3396e+000 + -analytic -1.1284e+2 -4.5422e-2 -2.5781e+2 3.8547e+1 -4.3396e+0 # -Range: 0-200 ThI4 - ThI4 = + 1.0000 Th++++ + 4.0000 I- - log_k 45.1997 - -delta_H -332.818 kJ/mol # Calculated enthalpy of reaction ThI4 + ThI4 = Th+4 + 4 I- + log_k 45.1997 + -delta_H -332.818 kJ/mol # Calculated enthalpy of reaction ThI4 # Enthalpy of formation: -663.811 kJ/mol - -analytic 1.4224e+000 -4.0379e-002 1.4193e+004 3.3137e+000 2.4102e+002 + -analytic 1.4224e+0 -4.0379e-2 1.4193e+4 3.3137e+0 2.4102e+2 # -Range: 0-200 ThS - ThS +3.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 HS- + 1.0000 Th++++ - log_k 96.0395 - -delta_H -669.906 kJ/mol # Calculated enthalpy of reaction ThS + ThS + 3 H+ + 0.5 O2 = H2O + HS- + Th+4 + log_k 96.0395 + -delta_H -669.906 kJ/mol # Calculated enthalpy of reaction ThS # Enthalpy of formation: -394.993 kJ/mol - -analytic -1.3919e+001 -1.2372e-002 3.3883e+004 0.0000e+000 0.0000e+000 + -analytic -1.3919e+1 -1.2372e-2 3.3883e+4 0e+0 0e+0 # -Range: 0-200 ThS2 - ThS2 +2.0000 H+ = + 1.0000 Th++++ + 2.0000 HS- - log_k 10.7872 - -delta_H -175.369 kJ/mol # Calculated enthalpy of reaction ThS2 + ThS2 + 2 H+ = Th+4 + 2 HS- + log_k 10.7872 + -delta_H -175.369 kJ/mol # Calculated enthalpy of reaction ThS2 # Enthalpy of formation: -625.867 kJ/mol - -analytic -3.7691e+001 -2.3714e-002 8.4673e+003 1.0970e+001 1.4380e+002 + -analytic -3.7691e+1 -2.3714e-2 8.4673e+3 1.097e+1 1.438e+2 # -Range: 0-200 Thenardite - Na2SO4 = + 1.0000 SO4-- + 2.0000 Na+ - log_k -0.3091 - -delta_H -2.33394 kJ/mol # Calculated enthalpy of reaction Thenardite + Na2SO4 = SO4-2 + 2 Na+ + log_k -0.3091 + -delta_H -2.33394 kJ/mol # Calculated enthalpy of reaction Thenardite # Enthalpy of formation: -1387.87 kJ/mol - -analytic -2.1202e+002 -7.1613e-002 5.1083e+003 8.7244e+001 7.9773e+001 + -analytic -2.1202e+2 -7.1613e-2 5.1083e+3 8.7244e+1 7.9773e+1 # -Range: 0-300 Thermonatrite - Na2CO3:H2O +1.0000 H+ = + 1.0000 H2O + 1.0000 HCO3- + 2.0000 Na+ - log_k 10.9623 - -delta_H -27.5869 kJ/mol # Calculated enthalpy of reaction Thermonatrite + Na2CO3:H2O + H+ = H2O + HCO3- + 2 Na+ + log_k 10.9623 + -delta_H -27.5869 kJ/mol # Calculated enthalpy of reaction Thermonatrite # Enthalpy of formation: -1428.78 kJ/mol - -analytic -1.4030e+002 -3.5263e-002 5.7840e+003 5.7528e+001 9.0295e+001 + -analytic -1.403e+2 -3.5263e-2 5.784e+3 5.7528e+1 9.0295e+1 # -Range: 0-300 Thorianite - ThO2 +4.0000 H+ = + 1.0000 Th++++ + 2.0000 H2O - log_k 1.8624 - -delta_H -114.296 kJ/mol # Calculated enthalpy of reaction Thorianite + ThO2 + 4 H+ = Th+4 + 2 H2O + log_k 1.8624 + -delta_H -114.296 kJ/mol # Calculated enthalpy of reaction Thorianite # Enthalpy of formation: -1226.4 kJ/mol - -analytic -1.4249e+001 -2.4645e-003 4.3110e+003 -1.6605e-002 2.1598e+005 + -analytic -1.4249e+1 -2.4645e-3 4.311e+3 -1.6605e-2 2.1598e+5 # -Range: 0-300 Ti - Ti +2.0000 H2O +1.0000 O2 = + 1.0000 Ti(OH)4 - log_k 149.2978 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ti + Ti + 2 H2O + O2 = Ti(OH)4 + log_k 149.2978 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ti # Enthalpy of formation: 0 kJ/mol Ti2O3 - Ti2O3 +4.0000 H2O +0.5000 O2 = + 2.0000 Ti(OH)4 - log_k 42.9866 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ti2O3 + Ti2O3 + 4 H2O + 0.5 O2 = 2 Ti(OH)4 + log_k 42.9866 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ti2O3 # Enthalpy of formation: -1520.78 kJ/mol Ti3O5 - Ti3O5 +6.0000 H2O +0.5000 O2 = + 3.0000 Ti(OH)4 - log_k 34.6557 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ti3O5 + Ti3O5 + 6 H2O + 0.5 O2 = 3 Ti(OH)4 + log_k 34.6557 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ti3O5 # Enthalpy of formation: -2459.24 kJ/mol TiB2 - TiB2 +5.0000 H2O +2.5000 O2 = + 1.0000 Ti(OH)4 + 2.0000 B(OH)3 - log_k 312.4194 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiB2 + TiB2 + 5 H2O + 2.5 O2 = Ti(OH)4 + 2 B(OH)3 + log_k 312.4194 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiB2 # Enthalpy of formation: -323.883 kJ/mol TiBr3 - TiBr3 +3.5000 H2O +0.2500 O2 = + 1.0000 Ti(OH)4 + 3.0000 Br- + 3.0000 H+ - log_k 47.7190 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiBr3 + TiBr3 + 3.5 H2O + 0.25 O2 = Ti(OH)4 + 3 Br- + 3 H+ + log_k 47.719 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiBr3 # Enthalpy of formation: -548.378 kJ/mol TiBr4 - TiBr4 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 Br- + 4.0000 H+ - log_k 32.9379 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiBr4 + TiBr4 + 4 H2O = Ti(OH)4 + 4 Br- + 4 H+ + log_k 32.9379 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiBr4 # Enthalpy of formation: -616.822 kJ/mol TiC - TiC +3.0000 H2O +2.0000 O2 = + 1.0000 H+ + 1.0000 HCO3- + 1.0000 Ti(OH)4 - log_k 181.8139 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiC + TiC + 3 H2O + 2 O2 = H+ + HCO3- + Ti(OH)4 + log_k 181.8139 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiC # Enthalpy of formation: -184.346 kJ/mol TiCl2 - TiCl2 +3.0000 H2O +0.5000 O2 = + 1.0000 Ti(OH)4 + 2.0000 Cl- + 2.0000 H+ - log_k 70.9386 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiCl2 + TiCl2 + 3 H2O + 0.5 O2 = Ti(OH)4 + 2 Cl- + 2 H+ + log_k 70.9386 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiCl2 # Enthalpy of formation: -514.012 kJ/mol TiCl3 - TiCl3 +3.5000 H2O +0.2500 O2 = + 1.0000 Ti(OH)4 + 3.0000 Cl- + 3.0000 H+ - log_k 39.3099 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiCl3 + TiCl3 + 3.5 H2O + 0.25 O2 = Ti(OH)4 + 3 Cl- + 3 H+ + log_k 39.3099 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiCl3 # Enthalpy of formation: -720.775 kJ/mol TiF4(am) - TiF4 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 F- + 4.0000 H+ - log_k -12.4409 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiF4(am) + TiF4 + 4 H2O = Ti(OH)4 + 4 F- + 4 H+ + log_k -12.4409 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiF4(am) # Enthalpy of formation: -1649.44 kJ/mol TiI4 - TiI4 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 H+ + 4.0000 I- - log_k 34.5968 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiI4 + TiI4 + 4 H2O = Ti(OH)4 + 4 H+ + 4 I- + log_k 34.5968 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiI4 # Enthalpy of formation: -375.555 kJ/mol TiN - TiN +3.5000 H2O +0.2500 O2 = + 1.0000 NH3 + 1.0000 Ti(OH)4 - log_k 35.2344 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiN + TiN + 3.5 H2O + 0.25 O2 = NH3 + Ti(OH)4 + log_k 35.2344 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiN # Enthalpy of formation: -338.304 kJ/mol TiO(alpha) - TiO +2.0000 H2O +0.5000 O2 = + 1.0000 Ti(OH)4 - log_k 61.1282 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiO(alpha) + TiO + 2 H2O + 0.5 O2 = Ti(OH)4 + log_k 61.1282 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiO(alpha) # Enthalpy of formation: -519.835 kJ/mol Tiemannite - HgSe = + 1.0000 Hg++ + 1.0000 Se-- - log_k -58.2188 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tiemannite + HgSe = Hg+2 + Se-2 + log_k -58.2188 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tiemannite # Enthalpy of formation: -10.4 kcal/mol - -analytic -5.7618e+001 -1.3891e-002 -1.3223e+004 1.9351e+001 -2.0632e+002 + -analytic -5.7618e+1 -1.3891e-2 -1.3223e+4 1.9351e+1 -2.0632e+2 # -Range: 0-300 Titanite - CaTiSiO5 +2.0000 H+ +1.0000 H2O = + 1.0000 Ca++ + 1.0000 SiO2 + 1.0000 Ti(OH)4 - log_k 719.5839 - -delta_H 0 # Not possible to calculate enthalpy of reaction Titanite + CaTiSiO5 + 2 H+ + H2O = Ca+2 + SiO2 + Ti(OH)4 + log_k 719.5839 + -delta_H 0 # Not possible to calculate enthalpy of reaction Titanite # Enthalpy of formation: 0 kcal/mol Tl - Tl +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Tl+ - log_k 27.1743 - -delta_H -134.53 kJ/mol # Calculated enthalpy of reaction Tl + Tl + H+ + 0.25 O2 = 0.5 H2O + Tl+ + log_k 27.1743 + -delta_H -134.53 kJ/mol # Calculated enthalpy of reaction Tl # Enthalpy of formation: 0 kJ/mol - -analytic -3.7066e+001 -7.8341e-003 9.4594e+003 1.4896e+001 -1.7904e+005 + -analytic -3.7066e+1 -7.8341e-3 9.4594e+3 1.4896e+1 -1.7904e+5 # -Range: 0-300 Tm - Tm +3.0000 H+ +0.7500 O2 = + 1.0000 Tm+++ + 1.5000 H2O - log_k 181.7102 - -delta_H -1124.66 kJ/mol # Calculated enthalpy of reaction Tm + Tm + 3 H+ + 0.75 O2 = Tm+3 + 1.5 H2O + log_k 181.7102 + -delta_H -1124.66 kJ/mol # Calculated enthalpy of reaction Tm # Enthalpy of formation: 0 kJ/mol - -analytic -6.7440e+001 -2.8476e-002 5.9332e+004 2.3715e+001 -5.9611e+003 + -analytic -6.744e+1 -2.8476e-2 5.9332e+4 2.3715e+1 -5.9611e+3 # -Range: 0-300 Tm(OH)3 - Tm(OH)3 +3.0000 H+ = + 1.0000 Tm+++ + 3.0000 H2O - log_k 14.9852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(OH)3 + Tm(OH)3 + 3 H+ = Tm+3 + 3 H2O + log_k 14.9852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(OH)3 # Enthalpy of formation: 0 kcal/mol Tm(OH)3(am) - Tm(OH)3 +3.0000 H+ = + 1.0000 Tm+++ + 3.0000 H2O - log_k 17.2852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(OH)3(am) + Tm(OH)3 + 3 H+ = Tm+3 + 3 H2O + log_k 17.2852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tm(OH)3(am) # Enthalpy of formation: 0 kcal/mol Tm2(CO3)3 - Tm2(CO3)3 +3.0000 H+ = + 2.0000 Tm+++ + 3.0000 HCO3- - log_k -2.4136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tm2(CO3)3 + Tm2(CO3)3 + 3 H+ = 2 Tm+3 + 3 HCO3- + log_k -2.4136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tm2(CO3)3 # Enthalpy of formation: 0 kcal/mol Tm2O3 - Tm2O3 +6.0000 H+ = + 2.0000 Tm+++ + 3.0000 H2O - log_k 44.7000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tm2O3 + Tm2O3 + 6 H+ = 2 Tm+3 + 3 H2O + log_k 44.7 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tm2O3 # Enthalpy of formation: 0 kcal/mol TmF3:.5H2O - TmF3:.5H2O = + 0.5000 H2O + 1.0000 Tm+++ + 3.0000 F- - log_k -16.2000 - -delta_H 0 # Not possible to calculate enthalpy of reaction TmF3:.5H2O + TmF3:.5H2O = 0.5 H2O + Tm+3 + 3 F- + log_k -16.2 + -delta_H 0 # Not possible to calculate enthalpy of reaction TmF3:.5H2O # Enthalpy of formation: 0 kcal/mol TmPO4:10H2O - TmPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Tm+++ + 10.0000 H2O - log_k -11.8782 - -delta_H 0 # Not possible to calculate enthalpy of reaction TmPO4:10H2O + TmPO4:10H2O + H+ = HPO4-2 + Tm+3 + 10 H2O + log_k -11.8782 + -delta_H 0 # Not possible to calculate enthalpy of reaction TmPO4:10H2O # Enthalpy of formation: 0 kcal/mol Tobermorite-11A - Ca5Si6H11O22.5 +10.0000 H+ = + 5.0000 Ca++ + 6.0000 SiO2 + 10.5000 H2O - log_k 65.6121 - -delta_H -286.861 kJ/mol # Calculated enthalpy of reaction Tobermorite-11A + Ca5Si6H11O22.5 + 10 H+ = 5 Ca+2 + 6 SiO2 + 10.5 H2O + log_k 65.6121 + -delta_H -286.861 kJ/mol # Calculated enthalpy of reaction Tobermorite-11A # Enthalpy of formation: -2556.42 kcal/mol - -analytic 7.9123e+001 3.9150e-002 2.9429e+004 -3.9191e+001 -2.4122e+006 + -analytic 7.9123e+1 3.915e-2 2.9429e+4 -3.9191e+1 -2.4122e+6 # -Range: 0-300 Tobermorite-14A - Ca5Si6H21O27.5 +10.0000 H+ = + 5.0000 Ca++ + 6.0000 SiO2 + 15.5000 H2O - log_k 63.8445 - -delta_H -230.959 kJ/mol # Calculated enthalpy of reaction Tobermorite-14A + Ca5Si6H21O27.5 + 10 H+ = 5 Ca+2 + 6 SiO2 + 15.5 H2O + log_k 63.8445 + -delta_H -230.959 kJ/mol # Calculated enthalpy of reaction Tobermorite-14A # Enthalpy of formation: -2911.36 kcal/mol - -analytic -2.0789e+002 5.2472e-003 3.9698e+004 6.7797e+001 -2.7532e+006 + -analytic -2.0789e+2 5.2472e-3 3.9698e+4 6.7797e+1 -2.7532e+6 # -Range: 0-300 Tobermorite-9A - Ca5Si6H6O20 +10.0000 H+ = + 5.0000 Ca++ + 6.0000 SiO2 + 8.0000 H2O - log_k 69.0798 - -delta_H -329.557 kJ/mol # Calculated enthalpy of reaction Tobermorite-9A + Ca5Si6H6O20 + 10 H+ = 5 Ca+2 + 6 SiO2 + 8 H2O + log_k 69.0798 + -delta_H -329.557 kJ/mol # Calculated enthalpy of reaction Tobermorite-9A # Enthalpy of formation: -2375.42 kcal/mol - -analytic -6.3384e+001 1.1722e-002 3.8954e+004 1.2268e+001 -2.8681e+006 + -analytic -6.3384e+1 1.1722e-2 3.8954e+4 1.2268e+1 -2.8681e+6 # -Range: 0-300 Todorokite - Mn7O12:3H2O +16.0000 H+ = + 1.0000 MnO4-- + 6.0000 Mn+++ + 11.0000 H2O - log_k -45.8241 - -delta_H 0 # Not possible to calculate enthalpy of reaction Todorokite + Mn7O12:3H2O + 16 H+ = MnO4-2 + 6 Mn+3 + 11 H2O + log_k -45.8241 + -delta_H 0 # Not possible to calculate enthalpy of reaction Todorokite # Enthalpy of formation: 0 kcal/mol Torbernite - Cu(UO2)2(PO4)2 +2.0000 H+ = + 1.0000 Cu++ + 2.0000 HPO4-- + 2.0000 UO2++ - log_k -20.3225 - -delta_H -97.4022 kJ/mol # Calculated enthalpy of reaction Torbernite + Cu(UO2)2(PO4)2 + 2 H+ = Cu+2 + 2 HPO4-2 + 2 UO2+2 + log_k -20.3225 + -delta_H -97.4022 kJ/mol # Calculated enthalpy of reaction Torbernite # Enthalpy of formation: -1065.74 kcal/mol - -analytic -6.7128e+001 -4.5878e-002 3.5071e+003 1.9682e+001 5.9579e+001 + -analytic -6.7128e+1 -4.5878e-2 3.5071e+3 1.9682e+1 5.9579e+1 # -Range: 0-200 Tremolite - Ca2Mg5Si8O22(OH)2 +14.0000 H+ = + 2.0000 Ca++ + 5.0000 Mg++ + 8.0000 H2O + 8.0000 SiO2 - log_k 61.2367 - -delta_H -406.404 kJ/mol # Calculated enthalpy of reaction Tremolite + Ca2Mg5Si8O22(OH)2 + 14 H+ = 2 Ca+2 + 5 Mg+2 + 8 H2O + 8 SiO2 + log_k 61.2367 + -delta_H -406.404 kJ/mol # Calculated enthalpy of reaction Tremolite # Enthalpy of formation: -2944.04 kcal/mol - -analytic 8.5291e+001 4.6337e-002 3.9465e+004 -5.4414e+001 -3.1913e+006 + -analytic 8.5291e+1 4.6337e-2 3.9465e+4 -5.4414e+1 -3.1913e+6 # -Range: 0-300 Trevorite - NiFe2O4 +8.0000 H+ = + 1.0000 Ni++ + 2.0000 Fe+++ + 4.0000 H2O - log_k 9.7876 - -delta_H -215.338 kJ/mol # Calculated enthalpy of reaction Trevorite + NiFe2O4 + 8 H+ = Ni+2 + 2 Fe+3 + 4 H2O + log_k 9.7876 + -delta_H -215.338 kJ/mol # Calculated enthalpy of reaction Trevorite # Enthalpy of formation: -1081.15 kJ/mol - -analytic -1.4322e+002 -2.9429e-002 1.4518e+004 4.5698e+001 2.4658e+002 + -analytic -1.4322e+2 -2.9429e-2 1.4518e+4 4.5698e+1 2.4658e+2 # -Range: 0-200 Tridymite - SiO2 = + 1.0000 SiO2 - log_k -3.8278 - -delta_H 31.3664 kJ/mol # Calculated enthalpy of reaction Tridymite + SiO2 = SiO2 + log_k -3.8278 + -delta_H 31.3664 kJ/mol # Calculated enthalpy of reaction Tridymite # Enthalpy of formation: -909.065 kJ/mol - -analytic 3.1594e+002 6.9315e-002 -1.1358e+004 -1.2219e+002 -1.9299e+002 + -analytic 3.1594e+2 6.9315e-2 -1.1358e+4 -1.2219e+2 -1.9299e+2 # -Range: 0-200 Troilite - FeS +1.0000 H+ = + 1.0000 Fe++ + 1.0000 HS- - log_k -3.8184 - -delta_H -7.3296 kJ/mol # Calculated enthalpy of reaction Troilite + FeS + H+ = Fe+2 + HS- + log_k -3.8184 + -delta_H -7.3296 kJ/mol # Calculated enthalpy of reaction Troilite # Enthalpy of formation: -101.036 kJ/mol - -analytic -1.6146e+002 -5.3170e-002 4.0461e+003 6.4620e+001 6.3183e+001 + -analytic -1.6146e+2 -5.317e-2 4.0461e+3 6.462e+1 6.3183e+1 # -Range: 0-300 Trona-K - K2NaH(CO3)2:2H2O +1.0000 H+ = + 1.0000 Na+ + 2.0000 H2O + 2.0000 HCO3- + 2.0000 K+ - log_k 11.5891 - -delta_H 0 # Not possible to calculate enthalpy of reaction Trona-K + K2NaH(CO3)2:2H2O + H+ = Na+ + 2 H2O + 2 HCO3- + 2 K+ + log_k 11.5891 + -delta_H 0 # Not possible to calculate enthalpy of reaction Trona-K # Enthalpy of formation: 0 kcal/mol Tsumebite - Pb2Cu(PO4)(OH)3:3H2O +4.0000 H+ = + 1.0000 Cu++ + 1.0000 HPO4-- + 2.0000 Pb++ + 6.0000 H2O - log_k 2.5318 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tsumebite + Pb2Cu(PO4)(OH)3:3H2O + 4 H+ = Cu+2 + HPO4-2 + 2 Pb+2 + 6 H2O + log_k 2.5318 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tsumebite # Enthalpy of formation: 0 kcal/mol Tyuyamunite - Ca(UO2)2(VO4)2 = + 1.0000 Ca++ + 2.0000 UO2++ + 2.0000 VO4--- - log_k -53.3757 - -delta_H 0 # Not possible to calculate enthalpy of reaction Tyuyamunite + Ca(UO2)2(VO4)2 = Ca+2 + 2 UO2+2 + 2 VO4-3 + log_k -53.3757 + -delta_H 0 # Not possible to calculate enthalpy of reaction Tyuyamunite # Enthalpy of formation: -1164.52 kcal/mol U - U +2.0000 H+ +1.5000 O2 = + 1.0000 H2O + 1.0000 UO2++ - log_k 212.7800 - -delta_H -1286.64 kJ/mol # Calculated enthalpy of reaction U + U + 2 H+ + 1.5 O2 = H2O + UO2+2 + log_k 212.78 + -delta_H -1286.64 kJ/mol # Calculated enthalpy of reaction U # Enthalpy of formation: 0 kJ/mol - -analytic -2.4912e+002 -4.7104e-002 8.1115e+004 8.7008e+001 -1.0158e+006 + -analytic -2.4912e+2 -4.7104e-2 8.1115e+4 8.7008e+1 -1.0158e+6 # -Range: 0-300 U(CO3)2 - U(CO3)2 +2.0000 H+ = + 1.0000 U++++ + 2.0000 HCO3- - log_k 7.5227 - -delta_H -170.691 kJ/mol # Calculated enthalpy of reaction U(CO3)2 + U(CO3)2 + 2 H+ = U+4 + 2 HCO3- + log_k 7.5227 + -delta_H -170.691 kJ/mol # Calculated enthalpy of reaction U(CO3)2 # Enthalpy of formation: -1800.38 kJ/mol - -analytic -8.5952e+001 -2.5086e-002 1.0177e+004 2.7002e+001 1.7285e+002 + -analytic -8.5952e+1 -2.5086e-2 1.0177e+4 2.7002e+1 1.7285e+2 # -Range: 0-200 U(HPO4)2:4H2O - U(HPO4)2:4H2O = + 1.0000 U++++ + 2.0000 HPO4-- + 4.0000 H2O - log_k -32.8650 - -delta_H 16.1008 kJ/mol # Calculated enthalpy of reaction U(HPO4)2:4H2O + U(HPO4)2:4H2O = U+4 + 2 HPO4-2 + 4 H2O + log_k -32.865 + -delta_H 16.1008 kJ/mol # Calculated enthalpy of reaction U(HPO4)2:4H2O # Enthalpy of formation: -4334.82 kJ/mol - -analytic -3.8694e+002 -1.3874e-001 6.4882e+003 1.5099e+002 1.0136e+002 + -analytic -3.8694e+2 -1.3874e-1 6.4882e+3 1.5099e+2 1.0136e+2 # -Range: 0-300 U(OH)2SO4 - U(OH)2SO4 +2.0000 H+ = + 1.0000 SO4-- + 1.0000 U++++ + 2.0000 H2O - log_k -3.0731 - -delta_H 0 # Not possible to calculate enthalpy of reaction U(OH)2SO4 + U(OH)2SO4 + 2 H+ = SO4-2 + U+4 + 2 H2O + log_k -3.0731 + -delta_H 0 # Not possible to calculate enthalpy of reaction U(OH)2SO4 # Enthalpy of formation: 0 kcal/mol U(SO3)2 - U(SO3)2 = + 1.0000 U++++ + 2.0000 SO3-- - log_k -36.7499 - -delta_H 20.7008 kJ/mol # Calculated enthalpy of reaction U(SO3)2 + U(SO3)2 = U+4 + 2 SO3-2 + log_k -36.7499 + -delta_H 20.7008 kJ/mol # Calculated enthalpy of reaction U(SO3)2 # Enthalpy of formation: -1883 kJ/mol - -analytic 5.8113e+001 -2.9981e-002 -7.0503e+003 -2.5175e+001 -1.1974e+002 + -analytic 5.8113e+1 -2.9981e-2 -7.0503e+3 -2.5175e+1 -1.1974e+2 # -Range: 0-200 U(SO4)2 - U(SO4)2 = + 1.0000 U++++ + 2.0000 SO4-- - log_k -11.5178 - -delta_H -100.803 kJ/mol # Calculated enthalpy of reaction U(SO4)2 + U(SO4)2 = U+4 + 2 SO4-2 + log_k -11.5178 + -delta_H -100.803 kJ/mol # Calculated enthalpy of reaction U(SO4)2 # Enthalpy of formation: -2309.6 kJ/mol - -analytic 3.2215e+001 -2.8662e-002 7.1066e+002 -1.5190e+001 1.2057e+001 + -analytic 3.2215e+1 -2.8662e-2 7.1066e+2 -1.519e+1 1.2057e+1 # -Range: 0-200 U(SO4)2:4H2O - U(SO4)2:4H2O = + 1.0000 U++++ + 2.0000 SO4-- + 4.0000 H2O - log_k -11.5287 - -delta_H -70.5565 kJ/mol # Calculated enthalpy of reaction U(SO4)2:4H2O + U(SO4)2:4H2O = U+4 + 2 SO4-2 + 4 H2O + log_k -11.5287 + -delta_H -70.5565 kJ/mol # Calculated enthalpy of reaction U(SO4)2:4H2O # Enthalpy of formation: -3483.2 kJ/mol - -analytic -6.9548e+001 -2.9094e-002 3.8763e+003 2.1692e+001 6.5849e+001 + -analytic -6.9548e+1 -2.9094e-2 3.8763e+3 2.1692e+1 6.5849e+1 # -Range: 0-200 U(SO4)2:8H2O - U(SO4)2:8H2O = + 1.0000 U++++ + 2.0000 SO4-- + 8.0000 H2O - log_k -12.5558 - -delta_H -34.5098 kJ/mol # Calculated enthalpy of reaction U(SO4)2:8H2O + U(SO4)2:8H2O = U+4 + 2 SO4-2 + 8 H2O + log_k -12.5558 + -delta_H -34.5098 kJ/mol # Calculated enthalpy of reaction U(SO4)2:8H2O # Enthalpy of formation: -4662.6 kJ/mol - -analytic -1.7141e+002 -2.9548e-002 6.7423e+003 5.8614e+001 1.1455e+002 + -analytic -1.7141e+2 -2.9548e-2 6.7423e+3 5.8614e+1 1.1455e+2 # -Range: 0-200 U2C3 - U2C3 +4.5000 O2 +3.0000 H+ = + 2.0000 U+++ + 3.0000 HCO3- - log_k 455.3078 - -delta_H -2810.1 kJ/mol # Calculated enthalpy of reaction U2C3 + U2C3 + 4.5 O2 + 3 H+ = 2 U+3 + 3 HCO3- + log_k 455.3078 + -delta_H -2810.1 kJ/mol # Calculated enthalpy of reaction U2C3 # Enthalpy of formation: -183.3 kJ/mol - -analytic -3.8340e+002 -1.5374e-001 1.5922e+005 1.4643e+002 -1.0584e+006 + -analytic -3.834e+2 -1.5374e-1 1.5922e+5 1.4643e+2 -1.0584e+6 # -Range: 0-300 U2F9 - U2F9 +2.0000 H2O = + 1.0000 U++++ + 1.0000 UO2+ + 4.0000 H+ + 9.0000 F- - log_k -45.5022 - -delta_H -46.8557 kJ/mol # Calculated enthalpy of reaction U2F9 + U2F9 + 2 H2O = U+4 + UO2+ + 4 H+ + 9 F- + log_k -45.5022 + -delta_H -46.8557 kJ/mol # Calculated enthalpy of reaction U2F9 # Enthalpy of formation: -4015.92 kJ/mol - -analytic -8.8191e+002 -3.0477e-001 2.0493e+004 3.4690e+002 3.2003e+002 + -analytic -8.8191e+2 -3.0477e-1 2.0493e+4 3.469e+2 3.2003e+2 # -Range: 0-300 U2O2Cl5 - U2O2Cl5 = + 1.0000 U++++ + 1.0000 UO2+ + 5.0000 Cl- - log_k 19.2752 - -delta_H -254.325 kJ/mol # Calculated enthalpy of reaction U2O2Cl5 + U2O2Cl5 = U+4 + UO2+ + 5 Cl- + log_k 19.2752 + -delta_H -254.325 kJ/mol # Calculated enthalpy of reaction U2O2Cl5 # Enthalpy of formation: -2197.4 kJ/mol - -analytic -4.3945e+002 -1.6239e-001 2.1694e+004 1.7551e+002 3.3865e+002 + -analytic -4.3945e+2 -1.6239e-1 2.1694e+4 1.7551e+2 3.3865e+2 # -Range: 0-300 U2O3F6 - U2O3F6 +1.0000 H2O = + 2.0000 H+ + 2.0000 UO2++ + 6.0000 F- - log_k -2.5066 - -delta_H -185.047 kJ/mol # Calculated enthalpy of reaction U2O3F6 + U2O3F6 + H2O = 2 H+ + 2 UO2+2 + 6 F- + log_k -2.5066 + -delta_H -185.047 kJ/mol # Calculated enthalpy of reaction U2O3F6 # Enthalpy of formation: -3579.2 kJ/mol - -analytic -3.2332e+001 -5.9519e-002 5.7857e+003 1.1372e+001 9.8260e+001 + -analytic -3.2332e+1 -5.9519e-2 5.7857e+3 1.1372e+1 9.826e+1 # -Range: 0-200 U2S3 - U2S3 +3.0000 H+ = + 2.0000 U+++ + 3.0000 HS- - log_k 6.5279 - -delta_H -147.525 kJ/mol # Calculated enthalpy of reaction U2S3 + U2S3 + 3 H+ = 2 U+3 + 3 HS- + log_k 6.5279 + -delta_H -147.525 kJ/mol # Calculated enthalpy of reaction U2S3 # Enthalpy of formation: -879 kJ/mol - -analytic -3.0494e+002 -1.0983e-001 1.3647e+004 1.2059e+002 2.1304e+002 + -analytic -3.0494e+2 -1.0983e-1 1.3647e+4 1.2059e+2 2.1304e+2 # -Range: 0-300 U2Se3 - U2Se3 +4.5000 O2 = + 2.0000 U+++ + 3.0000 SeO3-- - log_k 248.0372 - -delta_H -1740.18 kJ/mol # Calculated enthalpy of reaction U2Se3 + U2Se3 + 4.5 O2 = 2 U+3 + 3 SeO3-2 + log_k 248.0372 + -delta_H -1740.18 kJ/mol # Calculated enthalpy of reaction U2Se3 # Enthalpy of formation: -711 kJ/mol - -analytic 4.9999e+002 -1.6488e-002 6.4991e+004 -1.8795e+002 1.1035e+003 + -analytic 4.9999e+2 -1.6488e-2 6.4991e+4 -1.8795e+2 1.1035e+3 # -Range: 0-200 U3As4 - U3As4 +5.2500 O2 +5.0000 H+ +1.5000 H2O = + 3.0000 U+++ + 4.0000 H2AsO3- - log_k 487.6802 - -delta_H -3114.02 kJ/mol # Calculated enthalpy of reaction U3As4 + U3As4 + 5.25 O2 + 5 H+ + 1.5 H2O = 3 U+3 + 4 H2AsO3- + log_k 487.6802 + -delta_H -3114.02 kJ/mol # Calculated enthalpy of reaction U3As4 # Enthalpy of formation: -720 kJ/mol - -analytic -9.0215e+002 -2.5804e-001 1.9974e+005 3.3331e+002 -2.4911e+006 + -analytic -9.0215e+2 -2.5804e-1 1.9974e+5 3.3331e+2 -2.4911e+6 # -Range: 0-300 U3O5F8 - U3O5F8 +1.0000 H2O = + 2.0000 H+ + 3.0000 UO2++ + 8.0000 F- - log_k -2.7436 - -delta_H -260.992 kJ/mol # Calculated enthalpy of reaction U3O5F8 + U3O5F8 + H2O = 2 H+ + 3 UO2+2 + 8 F- + log_k -2.7436 + -delta_H -260.992 kJ/mol # Calculated enthalpy of reaction U3O5F8 # Enthalpy of formation: -5192.95 kJ/mol - -analytic -7.7653e+002 -2.7294e-001 2.9180e+004 3.0599e+002 4.5556e+002 + -analytic -7.7653e+2 -2.7294e-1 2.918e+4 3.0599e+2 4.5556e+2 # -Range: 0-300 U3P4 - U3P4 +7.2500 O2 +1.5000 H2O +1.0000 H+ = + 3.0000 U+++ + 4.0000 HPO4-- - log_k 827.5586 - -delta_H -5275.9 kJ/mol # Calculated enthalpy of reaction U3P4 + U3P4 + 7.25 O2 + 1.5 H2O + H+ = 3 U+3 + 4 HPO4-2 + log_k 827.5586 + -delta_H -5275.9 kJ/mol # Calculated enthalpy of reaction U3P4 # Enthalpy of formation: -843 kJ/mol - -analytic -2.7243e+003 -6.2927e-001 4.0130e+005 1.0021e+003 -7.6720e+006 + -analytic -2.7243e+3 -6.2927e-1 4.013e+5 1.0021e+3 -7.672e+6 # -Range: 0-300 U3S5 - U3S5 +5.0000 H+ = + 1.0000 U++++ + 2.0000 U+++ + 5.0000 HS- - log_k -0.3680 - -delta_H -218.942 kJ/mol # Calculated enthalpy of reaction U3S5 + U3S5 + 5 H+ = U+4 + 2 U+3 + 5 HS- + log_k -0.368 + -delta_H -218.942 kJ/mol # Calculated enthalpy of reaction U3S5 # Enthalpy of formation: -1431 kJ/mol - -analytic -1.1011e+002 -6.7959e-002 1.0369e+004 3.8481e+001 1.7611e+002 + -analytic -1.1011e+2 -6.7959e-2 1.0369e+4 3.8481e+1 1.7611e+2 # -Range: 0-200 U3Sb4 - U3Sb4 +9.0000 H+ +5.2500 O2 +1.5000 H2O = + 3.0000 U+++ + 4.0000 Sb(OH)3 - log_k 575.0349 - -delta_H -3618.1 kJ/mol # Calculated enthalpy of reaction U3Sb4 + U3Sb4 + 9 H+ + 5.25 O2 + 1.5 H2O = 3 U+3 + 4 Sb(OH)3 + log_k 575.0349 + -delta_H -3618.1 kJ/mol # Calculated enthalpy of reaction U3Sb4 # Enthalpy of formation: -451.9 kJ/mol U3Se4 - U3Se4 +6.2500 O2 +1.0000 H+ = + 0.5000 H2O + 3.0000 U+++ + 4.0000 SeO3-- - log_k 375.2823 - -delta_H -2588.16 kJ/mol # Calculated enthalpy of reaction U3Se4 + U3Se4 + 6.25 O2 + H+ = 0.5 H2O + 3 U+3 + 4 SeO3-2 + log_k 375.2823 + -delta_H -2588.16 kJ/mol # Calculated enthalpy of reaction U3Se4 # Enthalpy of formation: -983 kJ/mol - -analytic 6.7219e+002 -2.2708e-002 1.0025e+005 -2.5317e+002 1.7021e+003 + -analytic 6.7219e+2 -2.2708e-2 1.0025e+5 -2.5317e+2 1.7021e+3 # -Range: 0-200 U3Se5 - U3Se5 +7.2500 O2 +0.5000 H2O = + 1.0000 H+ + 3.0000 U+++ + 5.0000 SeO3-- - log_k 376.5747 - -delta_H -2652.38 kJ/mol # Calculated enthalpy of reaction U3Se5 + U3Se5 + 7.25 O2 + 0.5 H2O = H+ + 3 U+3 + 5 SeO3-2 + log_k 376.5747 + -delta_H -2652.38 kJ/mol # Calculated enthalpy of reaction U3Se5 # Enthalpy of formation: -1130 kJ/mol - -analytic 8.3306e+002 -2.6526e-002 9.5737e+004 -3.1109e+002 1.6255e+003 + -analytic 8.3306e+2 -2.6526e-2 9.5737e+4 -3.1109e+2 1.6255e+3 # -Range: 0-200 U4F17 - U4F17 +2.0000 H2O = + 1.0000 UO2+ + 3.0000 U++++ + 4.0000 H+ + 17.0000 F- - log_k -104.7657 - -delta_H -78.2955 kJ/mol # Calculated enthalpy of reaction U4F17 + U4F17 + 2 H2O = UO2+ + 3 U+4 + 4 H+ + 17 F- + log_k -104.7657 + -delta_H -78.2955 kJ/mol # Calculated enthalpy of reaction U4F17 # Enthalpy of formation: -7849.66 kJ/mol - -analytic -1.7466e+003 -5.9186e-001 4.0017e+004 6.8046e+002 6.2494e+002 + -analytic -1.7466e+3 -5.9186e-1 4.0017e+4 6.8046e+2 6.2494e+2 # -Range: 0-300 U5O12Cl - U5O12Cl +4.0000 H+ = + 1.0000 Cl- + 2.0000 H2O + 5.0000 UO2+ - log_k -18.7797 - -delta_H -9.99133 kJ/mol # Calculated enthalpy of reaction U5O12Cl + U5O12Cl + 4 H+ = Cl- + 2 H2O + 5 UO2+ + log_k -18.7797 + -delta_H -9.99133 kJ/mol # Calculated enthalpy of reaction U5O12Cl # Enthalpy of formation: -5854.4 kJ/mol - -analytic -7.3802e+001 2.9180e-002 4.6804e+003 1.2371e+001 7.9503e+001 + -analytic -7.3802e+1 2.918e-2 4.6804e+3 1.2371e+1 7.9503e+1 # -Range: 0-200 UAs - UAs +2.0000 H+ +1.5000 O2 = + 1.0000 H2AsO3- + 1.0000 U+++ - log_k 149.0053 - -delta_H -951.394 kJ/mol # Calculated enthalpy of reaction UAs + UAs + 2 H+ + 1.5 O2 = H2AsO3- + U+3 + log_k 149.0053 + -delta_H -951.394 kJ/mol # Calculated enthalpy of reaction UAs # Enthalpy of formation: -234.3 kJ/mol - -analytic -5.0217e+001 -4.2992e-002 4.8480e+004 1.9964e+001 7.5650e+002 + -analytic -5.0217e+1 -4.2992e-2 4.848e+4 1.9964e+1 7.565e+2 # -Range: 0-300 UAs2 - UAs2 +2.2500 O2 +1.5000 H2O +1.0000 H+ = + 1.0000 U+++ + 2.0000 H2AsO3- - log_k 189.1058 - -delta_H -1210.63 kJ/mol # Calculated enthalpy of reaction UAs2 + UAs2 + 2.25 O2 + 1.5 H2O + H+ = U+3 + 2 H2AsO3- + log_k 189.1058 + -delta_H -1210.63 kJ/mol # Calculated enthalpy of reaction UAs2 # Enthalpy of formation: -252 kJ/mol - -analytic -8.7361e+001 -7.5252e-002 6.1445e+004 3.7485e+001 9.5881e+002 + -analytic -8.7361e+1 -7.5252e-2 6.1445e+4 3.7485e+1 9.5881e+2 # -Range: 0-300 UBr2Cl - UBr2Cl = + 1.0000 Cl- + 1.0000 U+++ + 2.0000 Br- - log_k 17.7796 - -delta_H -148.586 kJ/mol # Calculated enthalpy of reaction UBr2Cl + UBr2Cl = Cl- + U+3 + 2 Br- + log_k 17.7796 + -delta_H -148.586 kJ/mol # Calculated enthalpy of reaction UBr2Cl # Enthalpy of formation: -750.6 kJ/mol - -analytic 3.0364e+000 -3.2187e-002 5.2314e+003 2.7418e+000 8.8836e+001 + -analytic 3.0364e+0 -3.2187e-2 5.2314e+3 2.7418e+0 8.8836e+1 # -Range: 0-200 UBr2Cl2 - UBr2Cl2 = + 1.0000 U++++ + 2.0000 Br- + 2.0000 Cl- - log_k 26.2185 - -delta_H -260.466 kJ/mol # Calculated enthalpy of reaction UBr2Cl2 + UBr2Cl2 = U+4 + 2 Br- + 2 Cl- + log_k 26.2185 + -delta_H -260.466 kJ/mol # Calculated enthalpy of reaction UBr2Cl2 # Enthalpy of formation: -907.9 kJ/mol - -analytic 3.8089e+000 -3.8781e-002 1.0125e+004 0.0000e+000 0.0000e+000 + -analytic 3.8089e+0 -3.8781e-2 1.0125e+4 0e+0 0e+0 # -Range: 0-200 UBr3 - UBr3 = + 1.0000 U+++ + 3.0000 Br- - log_k 20.2249 - -delta_H -154.91 kJ/mol # Calculated enthalpy of reaction UBr3 + UBr3 = U+3 + 3 Br- + log_k 20.2249 + -delta_H -154.91 kJ/mol # Calculated enthalpy of reaction UBr3 # Enthalpy of formation: -698.7 kJ/mol - -analytic -2.4366e+002 -9.8651e-002 1.2538e+004 1.0151e+002 1.9572e+002 + -analytic -2.4366e+2 -9.8651e-2 1.2538e+4 1.0151e+2 1.9572e+2 # -Range: 0-300 UBr3Cl - UBr3Cl = + 1.0000 Cl- + 1.0000 U++++ + 3.0000 Br- - log_k 29.1178 - -delta_H -270.49 kJ/mol # Calculated enthalpy of reaction UBr3Cl + UBr3Cl = Cl- + U+4 + 3 Br- + log_k 29.1178 + -delta_H -270.49 kJ/mol # Calculated enthalpy of reaction UBr3Cl # Enthalpy of formation: -852.3 kJ/mol - -analytic 1.1204e+001 -3.7109e-002 1.0473e+004 -2.4905e+000 1.7784e+002 + -analytic 1.1204e+1 -3.7109e-2 1.0473e+4 -2.4905e+0 1.7784e+2 # -Range: 0-200 UBr4 - UBr4 = + 1.0000 U++++ + 4.0000 Br- - log_k 31.2904 - -delta_H -275.113 kJ/mol # Calculated enthalpy of reaction UBr4 + UBr4 = U+4 + 4 Br- + log_k 31.2904 + -delta_H -275.113 kJ/mol # Calculated enthalpy of reaction UBr4 # Enthalpy of formation: -802.1 kJ/mol - -analytic -3.3800e+002 -1.2940e-001 2.0674e+004 1.3678e+002 3.2270e+002 + -analytic -3.38e+2 -1.294e-1 2.0674e+4 1.3678e+2 3.227e+2 # -Range: 0-300 UBr5 - UBr5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Br- - log_k 41.6312 - -delta_H -250.567 kJ/mol # Calculated enthalpy of reaction UBr5 + UBr5 + 2 H2O = UO2+ + 4 H+ + 5 Br- + log_k 41.6312 + -delta_H -250.567 kJ/mol # Calculated enthalpy of reaction UBr5 # Enthalpy of formation: -810.4 kJ/mol - -analytic -3.2773e+002 -1.4356e-001 1.8709e+004 1.4117e+002 2.9204e+002 + -analytic -3.2773e+2 -1.4356e-1 1.8709e+4 1.4117e+2 2.9204e+2 # -Range: 0-300 UBrCl2 - UBrCl2 = + 1.0000 Br- + 1.0000 U+++ + 2.0000 Cl- - log_k 14.5048 - -delta_H -132.663 kJ/mol # Calculated enthalpy of reaction UBrCl2 + UBrCl2 = Br- + U+3 + 2 Cl- + log_k 14.5048 + -delta_H -132.663 kJ/mol # Calculated enthalpy of reaction UBrCl2 # Enthalpy of formation: -812.1 kJ/mol - -analytic -5.3713e+000 -3.4256e-002 4.6251e+003 5.8875e+000 7.8542e+001 + -analytic -5.3713e+0 -3.4256e-2 4.6251e+3 5.8875e+0 7.8542e+1 # -Range: 0-200 UBrCl3 - UBrCl3 = + 1.0000 Br- + 1.0000 U++++ + 3.0000 Cl- - log_k 23.5258 - -delta_H -246.642 kJ/mol # Calculated enthalpy of reaction UBrCl3 + UBrCl3 = Br- + U+4 + 3 Cl- + log_k 23.5258 + -delta_H -246.642 kJ/mol # Calculated enthalpy of reaction UBrCl3 # Enthalpy of formation: -967.3 kJ/mol - -analytic -5.6867e+000 -4.1166e-002 9.6664e+003 3.6579e+000 1.6415e+002 + -analytic -5.6867e+0 -4.1166e-2 9.6664e+3 3.6579e+0 1.6415e+2 # -Range: 0-200 UC - UC +2.0000 H+ +1.7500 O2 = + 0.5000 H2O + 1.0000 HCO3- + 1.0000 U+++ - log_k 194.8241 - -delta_H -1202.82 kJ/mol # Calculated enthalpy of reaction UC + UC + 2 H+ + 1.75 O2 = 0.5 H2O + HCO3- + U+3 + log_k 194.8241 + -delta_H -1202.82 kJ/mol # Calculated enthalpy of reaction UC # Enthalpy of formation: -97.9 kJ/mol - -analytic -4.6329e+001 -4.4600e-002 6.1417e+004 1.9566e+001 9.5836e+002 + -analytic -4.6329e+1 -4.46e-2 6.1417e+4 1.9566e+1 9.5836e+2 # -Range: 0-300 UC1.94(alpha) - UC1.94 +2.6900 O2 +1.0600 H+ +0.4400 H2O = + 1.0000 U+++ + 1.9400 HCO3- - log_k 257.1619 - -delta_H -1583.84 kJ/mol # Calculated enthalpy of reaction UC1.94(alpha) + UC1.94 + 2.69 O2 + 1.06 H+ + 0.44 H2O = U+3 + 1.94 HCO3- + log_k 257.1619 + -delta_H -1583.84 kJ/mol # Calculated enthalpy of reaction UC1.94(alpha) # Enthalpy of formation: -85.324 kJ/mol - -analytic -5.8194e+002 -1.4610e-001 1.0917e+005 2.1638e+002 -1.6852e+006 + -analytic -5.8194e+2 -1.461e-1 1.0917e+5 2.1638e+2 -1.6852e+6 # -Range: 0-300 UCl2F2 - UCl2F2 = + 1.0000 U++++ + 2.0000 Cl- + 2.0000 F- - log_k -3.5085 - -delta_H -130.055 kJ/mol # Calculated enthalpy of reaction UCl2F2 + UCl2F2 = U+4 + 2 Cl- + 2 F- + log_k -3.5085 + -delta_H -130.055 kJ/mol # Calculated enthalpy of reaction UCl2F2 # Enthalpy of formation: -1466 kJ/mol - -analytic -3.9662e+002 -1.3879e-001 1.4710e+004 1.5562e+002 2.2965e+002 + -analytic -3.9662e+2 -1.3879e-1 1.471e+4 1.5562e+2 2.2965e+2 # -Range: 0-300 UCl2I2 - UCl2I2 = + 1.0000 U++++ + 2.0000 Cl- + 2.0000 I- - log_k 30.2962 - -delta_H -270.364 kJ/mol # Calculated enthalpy of reaction UCl2I2 + UCl2I2 = U+4 + 2 Cl- + 2 I- + log_k 30.2962 + -delta_H -270.364 kJ/mol # Calculated enthalpy of reaction UCl2I2 # Enthalpy of formation: -768.8 kJ/mol - -analytic -1.2922e+001 -4.3178e-002 1.1219e+004 7.4562e+000 1.9052e+002 + -analytic -1.2922e+1 -4.3178e-2 1.1219e+4 7.4562e+0 1.9052e+2 # -Range: 0-200 UCl3 - UCl3 = + 1.0000 U+++ + 3.0000 Cl- - log_k 13.0062 - -delta_H -126.639 kJ/mol # Calculated enthalpy of reaction UCl3 + UCl3 = U+3 + 3 Cl- + log_k 13.0062 + -delta_H -126.639 kJ/mol # Calculated enthalpy of reaction UCl3 # Enthalpy of formation: -863.7 kJ/mol - -analytic -2.6388e+002 -1.0241e-001 1.1629e+004 1.0846e+002 1.8155e+002 + -analytic -2.6388e+2 -1.0241e-1 1.1629e+4 1.0846e+2 1.8155e+2 # -Range: 0-300 UCl3F - UCl3F = + 1.0000 F- + 1.0000 U++++ + 3.0000 Cl- - log_k 10.3200 - -delta_H -184.787 kJ/mol # Calculated enthalpy of reaction UCl3F + UCl3F = F- + U+4 + 3 Cl- + log_k 10.32 + -delta_H -184.787 kJ/mol # Calculated enthalpy of reaction UCl3F # Enthalpy of formation: -1243 kJ/mol - -analytic -3.7971e+002 -1.3681e-001 1.7127e+004 1.5086e+002 2.6736e+002 + -analytic -3.7971e+2 -1.3681e-1 1.7127e+4 1.5086e+2 2.6736e+2 # -Range: 0-300 UCl3I - UCl3I = + 1.0000 I- + 1.0000 U++++ + 3.0000 Cl- - log_k 25.5388 - -delta_H -251.041 kJ/mol # Calculated enthalpy of reaction UCl3I + UCl3I = I- + U+4 + 3 Cl- + log_k 25.5388 + -delta_H -251.041 kJ/mol # Calculated enthalpy of reaction UCl3I # Enthalpy of formation: -898.3 kJ/mol - -analytic -1.3362e+001 -4.3214e-002 1.0167e+004 7.1426e+000 1.7265e+002 + -analytic -1.3362e+1 -4.3214e-2 1.0167e+4 7.1426e+0 1.7265e+2 # -Range: 0-200 UCl4 - UCl4 = + 1.0000 U++++ + 4.0000 Cl- - log_k 21.9769 - -delta_H -240.719 kJ/mol # Calculated enthalpy of reaction UCl4 + UCl4 = U+4 + 4 Cl- + log_k 21.9769 + -delta_H -240.719 kJ/mol # Calculated enthalpy of reaction UCl4 # Enthalpy of formation: -1018.8 kJ/mol - -analytic -3.6881e+002 -1.3618e-001 1.9685e+004 1.4763e+002 3.0727e+002 + -analytic -3.6881e+2 -1.3618e-1 1.9685e+4 1.4763e+2 3.0727e+2 # -Range: 0-300 UCl5 - UCl5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Cl- - log_k 37.3147 - -delta_H -249.849 kJ/mol # Calculated enthalpy of reaction UCl5 + UCl5 + 2 H2O = UO2+ + 4 H+ + 5 Cl- + log_k 37.3147 + -delta_H -249.849 kJ/mol # Calculated enthalpy of reaction UCl5 # Enthalpy of formation: -1039 kJ/mol - -analytic -3.6392e+002 -1.5133e-001 1.9617e+004 1.5376e+002 3.0622e+002 + -analytic -3.6392e+2 -1.5133e-1 1.9617e+4 1.5376e+2 3.0622e+2 # -Range: 0-300 UCl6 - UCl6 +2.0000 H2O = + 1.0000 UO2++ + 4.0000 H+ + 6.0000 Cl- - log_k 57.5888 - -delta_H -383.301 kJ/mol # Calculated enthalpy of reaction UCl6 + UCl6 + 2 H2O = UO2+2 + 4 H+ + 6 Cl- + log_k 57.5888 + -delta_H -383.301 kJ/mol # Calculated enthalpy of reaction UCl6 # Enthalpy of formation: -1066.5 kJ/mol - -analytic -4.5589e+002 -1.9203e-001 2.8029e+004 1.9262e+002 4.3750e+002 + -analytic -4.5589e+2 -1.9203e-1 2.8029e+4 1.9262e+2 4.375e+2 # -Range: 0-300 UClF3 - UClF3 = + 1.0000 Cl- + 1.0000 U++++ + 3.0000 F- - log_k -17.5122 - -delta_H -74.3225 kJ/mol # Calculated enthalpy of reaction UClF3 + UClF3 = Cl- + U+4 + 3 F- + log_k -17.5122 + -delta_H -74.3225 kJ/mol # Calculated enthalpy of reaction UClF3 # Enthalpy of formation: -1690 kJ/mol - -analytic -4.1346e+002 -1.4077e-001 1.2237e+004 1.6036e+002 1.9107e+002 + -analytic -4.1346e+2 -1.4077e-1 1.2237e+4 1.6036e+2 1.9107e+2 # -Range: 0-300 UClI3 - UClI3 = + 1.0000 Cl- + 1.0000 U++++ + 3.0000 I- - log_k 35.2367 - -delta_H -285.187 kJ/mol # Calculated enthalpy of reaction UClI3 + UClI3 = Cl- + U+4 + 3 I- + log_k 35.2367 + -delta_H -285.187 kJ/mol # Calculated enthalpy of reaction UClI3 # Enthalpy of formation: -643.8 kJ/mol - -analytic -1.1799e+001 -4.3208e-002 1.2045e+004 7.8829e+000 2.0455e+002 + -analytic -1.1799e+1 -4.3208e-2 1.2045e+4 7.8829e+0 2.0455e+2 # -Range: 0-200 UF3 - UF3 = + 1.0000 U+++ + 3.0000 F- - log_k -19.4125 - -delta_H 6.2572 kJ/mol # Calculated enthalpy of reaction UF3 + UF3 = U+3 + 3 F- + log_k -19.4125 + -delta_H 6.2572 kJ/mol # Calculated enthalpy of reaction UF3 # Enthalpy of formation: -1501.4 kJ/mol - -analytic -3.1530e+002 -1.0945e-001 6.1335e+003 1.2443e+002 9.5799e+001 + -analytic -3.153e+2 -1.0945e-1 6.1335e+3 1.2443e+2 9.5799e+1 # -Range: 0-300 UF4 - UF4 = + 1.0000 U++++ + 4.0000 F- - log_k -29.2004 - -delta_H -18.3904 kJ/mol # Calculated enthalpy of reaction UF4 + UF4 = U+4 + 4 F- + log_k -29.2004 + -delta_H -18.3904 kJ/mol # Calculated enthalpy of reaction UF4 # Enthalpy of formation: -1914.2 kJ/mol - -analytic -4.2411e+002 -1.4147e-001 9.6621e+003 1.6352e+002 1.5089e+002 + -analytic -4.2411e+2 -1.4147e-1 9.6621e+3 1.6352e+2 1.5089e+2 # -Range: 0-300 UF4:2.5H2O - UF4:2.5H2O = + 1.0000 U++++ + 2.5000 H2O + 4.0000 F- - log_k -33.3685 - -delta_H 24.2888 kJ/mol # Calculated enthalpy of reaction UF4:2.5H2O + UF4:2.5H2O = U+4 + 2.5 H2O + 4 F- + log_k -33.3685 + -delta_H 24.2888 kJ/mol # Calculated enthalpy of reaction UF4:2.5H2O # Enthalpy of formation: -2671.47 kJ/mol - -analytic -4.4218e+002 -1.4305e-001 8.2922e+003 1.7118e+002 1.2952e+002 + -analytic -4.4218e+2 -1.4305e-1 8.2922e+3 1.7118e+2 1.2952e+2 # -Range: 0-300 UF5(alpha) - UF5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 F- - log_k -12.8376 - -delta_H -54.8883 kJ/mol # Calculated enthalpy of reaction UF5(alpha) + UF5 + 2 H2O = UO2+ + 4 H+ + 5 F- + log_k -12.8376 + -delta_H -54.8883 kJ/mol # Calculated enthalpy of reaction UF5(alpha) # Enthalpy of formation: -2075.3 kJ/mol - -analytic -4.5126e+002 -1.6121e-001 1.1997e+004 1.8030e+002 1.8733e+002 + -analytic -4.5126e+2 -1.6121e-1 1.1997e+4 1.803e+2 1.8733e+2 # -Range: 0-300 UF5(beta) - UF5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 F- - log_k -13.1718 - -delta_H -46.9883 kJ/mol # Calculated enthalpy of reaction UF5(beta) + UF5 + 2 H2O = UO2+ + 4 H+ + 5 F- + log_k -13.1718 + -delta_H -46.9883 kJ/mol # Calculated enthalpy of reaction UF5(beta) # Enthalpy of formation: -2083.2 kJ/mol - -analytic -4.5020e+002 -1.6121e-001 1.1584e+004 1.8030e+002 1.8089e+002 + -analytic -4.502e+2 -1.6121e-1 1.1584e+4 1.803e+2 1.8089e+2 # -Range: 0-300 UF6 - UF6 +2.0000 H2O = + 1.0000 UO2++ + 4.0000 H+ + 6.0000 F- - log_k 17.4292 - -delta_H -261.709 kJ/mol # Calculated enthalpy of reaction UF6 + UF6 + 2 H2O = UO2+2 + 4 H+ + 6 F- + log_k 17.4292 + -delta_H -261.709 kJ/mol # Calculated enthalpy of reaction UF6 # Enthalpy of formation: -2197.7 kJ/mol - -analytic -5.8427e+002 -2.1223e-001 2.5296e+004 2.3440e+002 3.9489e+002 + -analytic -5.8427e+2 -2.1223e-1 2.5296e+4 2.344e+2 3.9489e+2 # -Range: 0-300 UH3(beta) - UH3 +3.0000 H+ +1.5000 O2 = + 1.0000 U+++ + 3.0000 H2O - log_k 199.7683 - -delta_H -1201.43 kJ/mol # Calculated enthalpy of reaction UH3(beta) + UH3 + 3 H+ + 1.5 O2 = U+3 + 3 H2O + log_k 199.7683 + -delta_H -1201.43 kJ/mol # Calculated enthalpy of reaction UH3(beta) # Enthalpy of formation: -126.98 kJ/mol - -analytic 5.2870e+001 4.2151e-003 6.0167e+004 -2.2701e+001 1.0217e+003 + -analytic 5.287e+1 4.2151e-3 6.0167e+4 -2.2701e+1 1.0217e+3 # -Range: 0-200 UI3 - UI3 = + 1.0000 U+++ + 3.0000 I- - log_k 29.0157 - -delta_H -192.407 kJ/mol # Calculated enthalpy of reaction UI3 + UI3 = U+3 + 3 I- + log_k 29.0157 + -delta_H -192.407 kJ/mol # Calculated enthalpy of reaction UI3 # Enthalpy of formation: -467.4 kJ/mol - -analytic -2.4505e+002 -9.9867e-002 1.4579e+004 1.0301e+002 2.2757e+002 + -analytic -2.4505e+2 -9.9867e-2 1.4579e+4 1.0301e+2 2.2757e+2 # -Range: 0-300 UI4 - UI4 = + 1.0000 U++++ + 4.0000 I- - log_k 39.3102 - -delta_H -300.01 kJ/mol # Calculated enthalpy of reaction UI4 + UI4 = U+4 + 4 I- + log_k 39.3102 + -delta_H -300.01 kJ/mol # Calculated enthalpy of reaction UI4 # Enthalpy of formation: -518.8 kJ/mol - -analytic -3.4618e+002 -1.3227e-001 2.2320e+004 1.4145e+002 3.4839e+002 + -analytic -3.4618e+2 -1.3227e-1 2.232e+4 1.4145e+2 3.4839e+2 # -Range: 0-300 UN - UN +3.0000 H+ = + 1.0000 NH3 + 1.0000 U+++ - log_k 41.7130 - -delta_H -280.437 kJ/mol # Calculated enthalpy of reaction UN + UN + 3 H+ = NH3 + U+3 + log_k 41.713 + -delta_H -280.437 kJ/mol # Calculated enthalpy of reaction UN # Enthalpy of formation: -290 kJ/mol - -analytic -1.6393e+002 -1.1679e-003 2.8845e+003 6.5637e+001 3.0122e+006 + -analytic -1.6393e+2 -1.1679e-3 2.8845e+3 6.5637e+1 3.0122e+6 # -Range: 0-300 UN1.59(alpha) - UN1.59 +1.8850 H2O +1.0000 H+ +0.0575 O2 = + 1.0000 UO2+ + 1.5900 NH3 - log_k 38.3930 - -delta_H -235.75 kJ/mol # Calculated enthalpy of reaction UN1.59(alpha) + UN1.59 + 1.885 H2O + H+ + 0.0575 O2 = UO2+ + 1.59 NH3 + log_k 38.393 + -delta_H -235.75 kJ/mol # Calculated enthalpy of reaction UN1.59(alpha) # Enthalpy of formation: -379.2 kJ/mol - -analytic 1.8304e+001 1.1109e-002 1.2064e+004 -9.5741e+000 2.0485e+002 + -analytic 1.8304e+1 1.1109e-2 1.2064e+4 -9.5741e+0 2.0485e+2 # -Range: 0-200 UN1.73(alpha) - UN1.73 +2.0950 H2O +1.0000 H+ = + 0.0475 O2 + 1.0000 UO2+ + 1.7300 NH3 - log_k 27.2932 - -delta_H -169.085 kJ/mol # Calculated enthalpy of reaction UN1.73(alpha) + UN1.73 + 2.095 H2O + H+ = 0.0475 O2 + UO2+ + 1.73 NH3 + log_k 27.2932 + -delta_H -169.085 kJ/mol # Calculated enthalpy of reaction UN1.73(alpha) # Enthalpy of formation: -398.5 kJ/mol - -analytic 1.0012e+001 1.0398e-002 8.9348e+003 -6.3817e+000 1.5172e+002 + -analytic 1.0012e+1 1.0398e-2 8.9348e+3 -6.3817e+0 1.5172e+2 # -Range: 0-200 UO2(AsO3)2 - UO2(AsO3)2 +2.0000 H2O = + 1.0000 UO2++ + 2.0000 H2AsO4- - log_k 6.9377 - -delta_H -109.843 kJ/mol # Calculated enthalpy of reaction UO2(AsO3)2 + UO2(AsO3)2 + 2 H2O = UO2+2 + 2 H2AsO4- + log_k 6.9377 + -delta_H -109.843 kJ/mol # Calculated enthalpy of reaction UO2(AsO3)2 # Enthalpy of formation: -2156.6 kJ/mol - -analytic -1.6050e+002 -6.6472e-002 8.2129e+003 6.4533e+001 1.2820e+002 + -analytic -1.605e+2 -6.6472e-2 8.2129e+3 6.4533e+1 1.282e+2 # -Range: 0-300 UO2(IO3)2 - UO2(IO3)2 = + 1.0000 UO2++ + 2.0000 IO3- - log_k -7.2871 - -delta_H -0.3862 kJ/mol # Calculated enthalpy of reaction UO2(IO3)2 + UO2(IO3)2 = UO2+2 + 2 IO3- + log_k -7.2871 + -delta_H -0.3862 kJ/mol # Calculated enthalpy of reaction UO2(IO3)2 # Enthalpy of formation: -1461.28 kJ/mol - -analytic -2.7047e+001 -1.4267e-002 -1.5055e+001 9.7226e+000 -2.4640e-001 + -analytic -2.7047e+1 -1.4267e-2 -1.5055e+1 9.7226e+0 -2.464e-1 # -Range: 0-200 UO2(NO3)2 - UO2(NO3)2 = + 1.0000 UO2++ + 2.0000 NO3- - log_k 11.9598 - -delta_H -81.6219 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2 + UO2(NO3)2 = UO2+2 + 2 NO3- + log_k 11.9598 + -delta_H -81.6219 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2 # Enthalpy of formation: -1351 kJ/mol - -analytic -1.2216e+001 -1.1261e-002 3.9895e+003 5.7166e+000 6.7751e+001 + -analytic -1.2216e+1 -1.1261e-2 3.9895e+3 5.7166e+0 6.7751e+1 # -Range: 0-200 UO2(NO3)2:2H2O - UO2(NO3)2:2H2O = + 1.0000 UO2++ + 2.0000 H2O + 2.0000 NO3- - log_k 4.9446 - -delta_H -25.5995 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:2H2O + UO2(NO3)2:2H2O = UO2+2 + 2 H2O + 2 NO3- + log_k 4.9446 + -delta_H -25.5995 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:2H2O # Enthalpy of formation: -1978.7 kJ/mol - -analytic -1.3989e+002 -5.2130e-002 4.3758e+003 5.8868e+001 6.8322e+001 + -analytic -1.3989e+2 -5.213e-2 4.3758e+3 5.8868e+1 6.8322e+1 # -Range: 0-300 UO2(NO3)2:3H2O - UO2(NO3)2:3H2O = + 1.0000 UO2++ + 2.0000 NO3- + 3.0000 H2O - log_k 3.7161 - -delta_H -9.73686 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:3H2O + UO2(NO3)2:3H2O = UO2+2 + 2 NO3- + 3 H2O + log_k 3.7161 + -delta_H -9.73686 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:3H2O # Enthalpy of formation: -2280.4 kJ/mol - -analytic -1.5037e+002 -5.2234e-002 4.0783e+003 6.3024e+001 6.3682e+001 + -analytic -1.5037e+2 -5.2234e-2 4.0783e+3 6.3024e+1 6.3682e+1 # -Range: 0-300 UO2(NO3)2:6H2O - UO2(NO3)2:6H2O = + 1.0000 UO2++ + 2.0000 NO3- + 6.0000 H2O - log_k 2.3189 - -delta_H 19.8482 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:6H2O + UO2(NO3)2:6H2O = UO2+2 + 2 NO3- + 6 H2O + log_k 2.3189 + -delta_H 19.8482 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:6H2O # Enthalpy of formation: -3167.5 kJ/mol - -analytic -1.4019e+002 -4.3682e-002 2.7842e+003 5.9070e+001 4.3486e+001 + -analytic -1.4019e+2 -4.3682e-2 2.7842e+3 5.907e+1 4.3486e+1 # -Range: 0-300 UO2(NO3)2:H2O - UO2(NO3)2:H2O = + 1.0000 H2O + 1.0000 UO2++ + 2.0000 NO3- - log_k 8.5103 - -delta_H -54.4602 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:H2O + UO2(NO3)2:H2O = H2O + UO2+2 + 2 NO3- + log_k 8.5103 + -delta_H -54.4602 kJ/mol # Calculated enthalpy of reaction UO2(NO3)2:H2O # Enthalpy of formation: -1664 kJ/mol - -analytic -3.7575e+001 -1.1342e-002 3.7548e+003 1.4899e+001 6.3776e+001 + -analytic -3.7575e+1 -1.1342e-2 3.7548e+3 1.4899e+1 6.3776e+1 # -Range: 0-200 UO2(OH)2(beta) - UO2(OH)2 +2.0000 H+ = + 1.0000 UO2++ + 2.0000 H2O - log_k 4.9457 - -delta_H -56.8767 kJ/mol # Calculated enthalpy of reaction UO2(OH)2(beta) + UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O + log_k 4.9457 + -delta_H -56.8767 kJ/mol # Calculated enthalpy of reaction UO2(OH)2(beta) # Enthalpy of formation: -1533.8 kJ/mol - -analytic -1.7478e+001 -1.6806e-003 3.4226e+003 4.6260e+000 5.3412e+001 + -analytic -1.7478e+1 -1.6806e-3 3.4226e+3 4.626e+0 5.3412e+1 # -Range: 0-300 UO2(PO3)2 - UO2(PO3)2 +2.0000 H2O = + 1.0000 UO2++ + 2.0000 H+ + 2.0000 HPO4-- - log_k -16.2805 - -delta_H -58.4873 kJ/mol # Calculated enthalpy of reaction UO2(PO3)2 + UO2(PO3)2 + 2 H2O = UO2+2 + 2 H+ + 2 HPO4-2 + log_k -16.2805 + -delta_H -58.4873 kJ/mol # Calculated enthalpy of reaction UO2(PO3)2 # Enthalpy of formation: -2973 kJ/mol - -analytic -3.2995e+002 -1.3747e-001 8.0652e+003 1.3237e+002 1.2595e+002 + -analytic -3.2995e+2 -1.3747e-1 8.0652e+3 1.3237e+2 1.2595e+2 # -Range: 0-300 UO2(am) - UO2 +4.0000 H+ = + 1.0000 U++++ + 2.0000 H2O - log_k 0.1091 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(am) + UO2 + 4 H+ = U+4 + 2 H2O + log_k 0.1091 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2(am) # Enthalpy of formation: 0 kcal/mol UO2.25 - UO2.25 +2.5000 H+ = + 0.5000 U++++ + 0.5000 UO2+ + 1.2500 H2O - log_k -4.8193 - -delta_H -37.1614 kJ/mol # Calculated enthalpy of reaction UO2.25 + UO2.25 + 2.5 H+ = 0.5 U+4 + 0.5 UO2+ + 1.25 H2O + log_k -4.8193 + -delta_H -37.1614 kJ/mol # Calculated enthalpy of reaction UO2.25 # Enthalpy of formation: -1128.3 kJ/mol - -analytic -1.9073e+002 -4.1793e-002 7.3391e+003 7.0213e+001 1.1457e+002 + -analytic -1.9073e+2 -4.1793e-2 7.3391e+3 7.0213e+1 1.1457e+2 # -Range: 0-300 UO2.25(beta) - UO2.25 +2.5000 H+ = + 0.5000 U++++ + 0.5000 UO2+ + 1.2500 H2O - log_k -4.7593 - -delta_H -38.0614 kJ/mol # Calculated enthalpy of reaction UO2.25(beta) + UO2.25 + 2.5 H+ = 0.5 U+4 + 0.5 UO2+ + 1.25 H2O + log_k -4.7593 + -delta_H -38.0614 kJ/mol # Calculated enthalpy of reaction UO2.25(beta) # Enthalpy of formation: -1127.4 kJ/mol - -analytic -3.6654e+001 -2.4013e-003 2.9632e+003 9.1625e+000 4.6249e+001 + -analytic -3.6654e+1 -2.4013e-3 2.9632e+3 9.1625e+0 4.6249e+1 # -Range: 0-300 UO2.3333(beta) # UO2.3333 +8.0000 H+ = + 0.3333 O2 + 2.0000 U++++ + 4.0000 H2O - (UO2.3333)2 + 8.0000 H+ = 0.3333 O2 + 2.0000 U++++ + 4.0000 H2O - log_k -27.7177 - -delta_H -1187.8 kJ/mol # Calculated enthalpy of reaction UO2.3333(beta) + (UO2.3333)2 + 8 H+ = 0.3333 O2 + 2 U+4 + 4 H2O + log_k -27.7177 + -delta_H -1187.8 kJ/mol # Calculated enthalpy of reaction UO2.3333(beta) # Enthalpy of formation: -1142 kJ/mol - -analytic -7.4790e+000 -6.8382e-004 -2.7277e+003 -7.2107e+000 6.1873e+005 + -analytic -7.479e+0 -6.8382e-4 -2.7277e+3 -7.2107e+0 6.1873e+5 # -Range: 0-300 UO2.6667 # UO2.6667 +8.0000 H+ = + 0.6667 O2 + 2.0000 U++++ + 4.0000 H2O - (UO2.6667)2 +8.0000 H+ = + 0.6667 O2 + 2.0000 U++++ + 4.0000 H2O - log_k -43.6051 - -delta_H -1142.24 kJ/mol # Calculated enthalpy of reaction UO2.6667 + (UO2.6667)2 + 8 H+ = 0.6667 O2 + 2 U+4 + 4 H2O + log_k -43.6051 + -delta_H -1142.24 kJ/mol # Calculated enthalpy of reaction UO2.6667 # Enthalpy of formation: -1191.6 kJ/mol - -analytic 1.2095e+002 2.0118e-002 -1.4968e+004 -5.3552e+001 1.0813e+006 + -analytic 1.2095e+2 2.0118e-2 -1.4968e+4 -5.3552e+1 1.0813e+6 # -Range: 0-300 UO2Br2 - UO2Br2 = + 1.0000 UO2++ + 2.0000 Br- - log_k 16.5103 - -delta_H -124.607 kJ/mol # Calculated enthalpy of reaction UO2Br2 + UO2Br2 = UO2+2 + 2 Br- + log_k 16.5103 + -delta_H -124.607 kJ/mol # Calculated enthalpy of reaction UO2Br2 # Enthalpy of formation: -1137.4 kJ/mol - -analytic -1.4876e+002 -6.2715e-002 9.0200e+003 6.2108e+001 1.4079e+002 + -analytic -1.4876e+2 -6.2715e-2 9.02e+3 6.2108e+1 1.4079e+2 # -Range: 0-300 UO2Br2:3H2O - UO2Br2:3H2O = + 1.0000 UO2++ + 2.0000 Br- + 3.0000 H2O - log_k 9.4113 - -delta_H -61.5217 kJ/mol # Calculated enthalpy of reaction UO2Br2:3H2O + UO2Br2:3H2O = UO2+2 + 2 Br- + 3 H2O + log_k 9.4113 + -delta_H -61.5217 kJ/mol # Calculated enthalpy of reaction UO2Br2:3H2O # Enthalpy of formation: -2058 kJ/mol - -analytic -6.8507e+001 -1.6834e-002 5.1409e+003 2.6546e+001 8.7324e+001 + -analytic -6.8507e+1 -1.6834e-2 5.1409e+3 2.6546e+1 8.7324e+1 # -Range: 0-200 UO2Br2:H2O - UO2Br2:H2O = + 1.0000 H2O + 1.0000 UO2++ + 2.0000 Br- - log_k 12.1233 - -delta_H -91.945 kJ/mol # Calculated enthalpy of reaction UO2Br2:H2O + UO2Br2:H2O = H2O + UO2+2 + 2 Br- + log_k 12.1233 + -delta_H -91.945 kJ/mol # Calculated enthalpy of reaction UO2Br2:H2O # Enthalpy of formation: -1455.9 kJ/mol - -analytic -1.7519e+001 -1.6603e-002 4.3544e+003 8.0748e+000 7.3950e+001 + -analytic -1.7519e+1 -1.6603e-2 4.3544e+3 8.0748e+0 7.395e+1 # -Range: 0-200 UO2BrOH:2H2O - UO2BrOH:2H2O +1.0000 H+ = + 1.0000 Br- + 1.0000 UO2++ + 3.0000 H2O - log_k 4.2026 - -delta_H -39.8183 kJ/mol # Calculated enthalpy of reaction UO2BrOH:2H2O + UO2BrOH:2H2O + H+ = Br- + UO2+2 + 3 H2O + log_k 4.2026 + -delta_H -39.8183 kJ/mol # Calculated enthalpy of reaction UO2BrOH:2H2O # Enthalpy of formation: -1958.2 kJ/mol - -analytic -8.3411e+001 -1.0024e-002 5.0411e+003 2.9781e+001 8.5633e+001 + -analytic -8.3411e+1 -1.0024e-2 5.0411e+3 2.9781e+1 8.5633e+1 # -Range: 0-200 UO2CO3 - UO2CO3 +1.0000 H+ = + 1.0000 HCO3- + 1.0000 UO2++ - log_k -4.1267 - -delta_H -19.2872 kJ/mol # Calculated enthalpy of reaction UO2CO3 + UO2CO3 + H+ = HCO3- + UO2+2 + log_k -4.1267 + -delta_H -19.2872 kJ/mol # Calculated enthalpy of reaction UO2CO3 # Enthalpy of formation: -1689.65 kJ/mol - -analytic -4.4869e+001 -1.1541e-002 1.9475e+003 1.5215e+001 3.3086e+001 + -analytic -4.4869e+1 -1.1541e-2 1.9475e+3 1.5215e+1 3.3086e+1 # -Range: 0-200 UO2Cl - UO2Cl = + 1.0000 Cl- + 1.0000 UO2+ - log_k -0.5154 - -delta_H -21.1067 kJ/mol # Calculated enthalpy of reaction UO2Cl + UO2Cl = Cl- + UO2+ + log_k -0.5154 + -delta_H -21.1067 kJ/mol # Calculated enthalpy of reaction UO2Cl # Enthalpy of formation: -1171.1 kJ/mol - -analytic -7.3291e+001 -2.5940e-002 2.5753e+003 2.9038e+001 4.0207e+001 + -analytic -7.3291e+1 -2.594e-2 2.5753e+3 2.9038e+1 4.0207e+1 # -Range: 0-300 UO2Cl2 - UO2Cl2 = + 1.0000 UO2++ + 2.0000 Cl- - log_k 12.1394 - -delta_H -109.559 kJ/mol # Calculated enthalpy of reaction UO2Cl2 + UO2Cl2 = UO2+2 + 2 Cl- + log_k 12.1394 + -delta_H -109.559 kJ/mol # Calculated enthalpy of reaction UO2Cl2 # Enthalpy of formation: -1243.6 kJ/mol - -analytic -1.6569e+002 -6.6249e-002 8.6920e+003 6.8055e+001 1.3568e+002 + -analytic -1.6569e+2 -6.6249e-2 8.692e+3 6.8055e+1 1.3568e+2 # -Range: 0-300 UO2Cl2:3H2O - UO2Cl2:3H2O = + 1.0000 UO2++ + 2.0000 Cl- + 3.0000 H2O - log_k 5.6163 - -delta_H -45.8743 kJ/mol # Calculated enthalpy of reaction UO2Cl2:3H2O + UO2Cl2:3H2O = UO2+2 + 2 Cl- + 3 H2O + log_k 5.6163 + -delta_H -45.8743 kJ/mol # Calculated enthalpy of reaction UO2Cl2:3H2O # Enthalpy of formation: -2164.8 kJ/mol - -analytic -8.4932e+001 -2.0867e-002 4.7594e+003 3.2654e+001 8.0850e+001 + -analytic -8.4932e+1 -2.0867e-2 4.7594e+3 3.2654e+1 8.085e+1 # -Range: 0-200 UO2Cl2:H2O - UO2Cl2:H2O = + 1.0000 H2O + 1.0000 UO2++ + 2.0000 Cl- - log_k 8.2880 - -delta_H -79.1977 kJ/mol # Calculated enthalpy of reaction UO2Cl2:H2O + UO2Cl2:H2O = H2O + UO2+2 + 2 Cl- + log_k 8.288 + -delta_H -79.1977 kJ/mol # Calculated enthalpy of reaction UO2Cl2:H2O # Enthalpy of formation: -1559.8 kJ/mol - -analytic -3.4458e+001 -2.0630e-002 4.1231e+003 1.4170e+001 7.0029e+001 + -analytic -3.4458e+1 -2.063e-2 4.1231e+3 1.417e+1 7.0029e+1 # -Range: 0-200 UO2ClOH:2H2O - UO2ClOH:2H2O +1.0000 H+ = + 1.0000 Cl- + 1.0000 UO2++ + 3.0000 H2O - log_k 2.3064 - -delta_H -33.1947 kJ/mol # Calculated enthalpy of reaction UO2ClOH:2H2O + UO2ClOH:2H2O + H+ = Cl- + UO2+2 + 3 H2O + log_k 2.3064 + -delta_H -33.1947 kJ/mol # Calculated enthalpy of reaction UO2ClOH:2H2O # Enthalpy of formation: -2010.4 kJ/mol - -analytic -9.1834e+001 -1.2041e-002 4.9131e+003 3.2835e+001 8.3462e+001 + -analytic -9.1834e+1 -1.2041e-2 4.9131e+3 3.2835e+1 8.3462e+1 # -Range: 0-200 UO2F2 - UO2F2 = + 1.0000 UO2++ + 2.0000 F- - log_k -7.2302 - -delta_H -36.1952 kJ/mol # Calculated enthalpy of reaction UO2F2 + UO2F2 = UO2+2 + 2 F- + log_k -7.2302 + -delta_H -36.1952 kJ/mol # Calculated enthalpy of reaction UO2F2 # Enthalpy of formation: -1653.5 kJ/mol - -analytic -2.0303e+002 -7.1028e-002 5.9356e+003 7.9627e+001 9.2679e+001 + -analytic -2.0303e+2 -7.1028e-2 5.9356e+3 7.9627e+1 9.2679e+1 # -Range: 0-300 UO2F2:3H2O - UO2F2:3H2O = + 1.0000 UO2++ + 2.0000 F- + 3.0000 H2O - log_k -7.3692 - -delta_H -12.8202 kJ/mol # Calculated enthalpy of reaction UO2F2:3H2O + UO2F2:3H2O = UO2+2 + 2 F- + 3 H2O + log_k -7.3692 + -delta_H -12.8202 kJ/mol # Calculated enthalpy of reaction UO2F2:3H2O # Enthalpy of formation: -2534.39 kJ/mol - -analytic -1.0286e+002 -2.1223e-002 3.4855e+003 3.6420e+001 5.9224e+001 + -analytic -1.0286e+2 -2.1223e-2 3.4855e+3 3.642e+1 5.9224e+1 # -Range: 0-200 UO2FOH - UO2FOH +1.0000 H+ = + 1.0000 F- + 1.0000 H2O + 1.0000 UO2++ - log_k -1.8426 - -delta_H -41.7099 kJ/mol # Calculated enthalpy of reaction UO2FOH + UO2FOH + H+ = F- + H2O + UO2+2 + log_k -1.8426 + -delta_H -41.7099 kJ/mol # Calculated enthalpy of reaction UO2FOH # Enthalpy of formation: -1598.48 kJ/mol - -analytic -4.9229e+001 -1.1984e-002 3.2086e+003 1.6244e+001 5.4503e+001 + -analytic -4.9229e+1 -1.1984e-2 3.2086e+3 1.6244e+1 5.4503e+1 # -Range: 0-200 UO2FOH:2H2O - UO2FOH:2H2O +1.0000 H+ = + 1.0000 F- + 1.0000 UO2++ + 3.0000 H2O - log_k -2.6606 - -delta_H -21.8536 kJ/mol # Calculated enthalpy of reaction UO2FOH:2H2O + UO2FOH:2H2O + H+ = F- + UO2+2 + 3 H2O + log_k -2.6606 + -delta_H -21.8536 kJ/mol # Calculated enthalpy of reaction UO2FOH:2H2O # Enthalpy of formation: -2190.01 kJ/mol - -analytic -1.0011e+002 -1.2203e-002 4.5446e+003 3.4690e+001 7.7208e+001 + -analytic -1.0011e+2 -1.2203e-2 4.5446e+3 3.469e+1 7.7208e+1 # -Range: 0-200 UO2FOH:H2O - UO2FOH:H2O +1.0000 H+ = + 1.0000 F- + 1.0000 UO2++ + 2.0000 H2O - log_k -2.2838 - -delta_H -31.5243 kJ/mol # Calculated enthalpy of reaction UO2FOH:H2O + UO2FOH:H2O + H+ = F- + UO2+2 + 2 H2O + log_k -2.2838 + -delta_H -31.5243 kJ/mol # Calculated enthalpy of reaction UO2FOH:H2O # Enthalpy of formation: -1894.5 kJ/mol - -analytic -7.4628e+001 -1.2086e-002 3.8625e+003 2.5456e+001 6.5615e+001 + -analytic -7.4628e+1 -1.2086e-2 3.8625e+3 2.5456e+1 6.5615e+1 # -Range: 0-200 UO2HPO4 - UO2HPO4 = + 1.0000 HPO4-- + 1.0000 UO2++ - log_k -12.6782 - -delta_H 0 # Not possible to calculate enthalpy of reaction UO2HPO4 + UO2HPO4 = HPO4-2 + UO2+2 + log_k -12.6782 + -delta_H 0 # Not possible to calculate enthalpy of reaction UO2HPO4 # Enthalpy of formation: 0 kcal/mol UO2HPO4:4H2O - UO2HPO4:4H2O = + 1.0000 HPO4-- + 1.0000 UO2++ + 4.0000 H2O - log_k -13.0231 - -delta_H 15.5327 kJ/mol # Calculated enthalpy of reaction UO2HPO4:4H2O + UO2HPO4:4H2O = HPO4-2 + UO2+2 + 4 H2O + log_k -13.0231 + -delta_H 15.5327 kJ/mol # Calculated enthalpy of reaction UO2HPO4:4H2O # Enthalpy of formation: -3469.97 kJ/mol - -analytic -1.1784e+002 -1.9418e-002 2.7547e+003 4.0963e+001 4.6818e+001 + -analytic -1.1784e+2 -1.9418e-2 2.7547e+3 4.0963e+1 4.6818e+1 # -Range: 0-200 UO2SO3 - UO2SO3 = + 1.0000 SO3-- + 1.0000 UO2++ - log_k -15.9812 - -delta_H 6.4504 kJ/mol # Calculated enthalpy of reaction UO2SO3 + UO2SO3 = SO3-2 + UO2+2 + log_k -15.9812 + -delta_H 6.4504 kJ/mol # Calculated enthalpy of reaction UO2SO3 # Enthalpy of formation: -1661 kJ/mol - -analytic 2.5751e+001 -1.3871e-002 -3.0305e+003 -1.1090e+001 -5.1470e+001 + -analytic 2.5751e+1 -1.3871e-2 -3.0305e+3 -1.109e+1 -5.147e+1 # -Range: 0-200 UO2SO4 - UO2SO4 = + 1.0000 SO4-- + 1.0000 UO2++ - log_k 1.9681 - -delta_H -83.4616 kJ/mol # Calculated enthalpy of reaction UO2SO4 + UO2SO4 = SO4-2 + UO2+2 + log_k 1.9681 + -delta_H -83.4616 kJ/mol # Calculated enthalpy of reaction UO2SO4 # Enthalpy of formation: -1845.14 kJ/mol - -analytic -1.5677e+002 -6.5310e-002 6.7411e+003 6.2867e+001 1.0523e+002 + -analytic -1.5677e+2 -6.531e-2 6.7411e+3 6.2867e+1 1.0523e+2 # -Range: 0-300 UO2SO4:2.5H2O - UO2SO4:2.5H2O = + 1.0000 SO4-- + 1.0000 UO2++ + 2.5000 H2O - log_k -1.4912 - -delta_H -36.1984 kJ/mol # Calculated enthalpy of reaction UO2SO4:2.5H2O + UO2SO4:2.5H2O = SO4-2 + UO2+2 + 2.5 H2O + log_k -1.4912 + -delta_H -36.1984 kJ/mol # Calculated enthalpy of reaction UO2SO4:2.5H2O # Enthalpy of formation: -2607 kJ/mol - -analytic -4.8908e+001 -1.3445e-002 2.8658e+003 1.6894e+001 4.8683e+001 + -analytic -4.8908e+1 -1.3445e-2 2.8658e+3 1.6894e+1 4.8683e+1 # -Range: 0-200 UO2SO4:3.5H2O - UO2SO4:3.5H2O = + 1.0000 SO4-- + 1.0000 UO2++ + 3.5000 H2O - log_k -1.4805 - -delta_H -27.4367 kJ/mol # Calculated enthalpy of reaction UO2SO4:3.5H2O + UO2SO4:3.5H2O = SO4-2 + UO2+2 + 3.5 H2O + log_k -1.4805 + -delta_H -27.4367 kJ/mol # Calculated enthalpy of reaction UO2SO4:3.5H2O # Enthalpy of formation: -2901.6 kJ/mol - -analytic -7.4180e+001 -1.3565e-002 3.5963e+003 2.6136e+001 6.1096e+001 + -analytic -7.418e+1 -1.3565e-2 3.5963e+3 2.6136e+1 6.1096e+1 # -Range: 0-200 UO2SO4:3H2O - UO2SO4:3H2O = + 1.0000 SO4-- + 1.0000 UO2++ + 3.0000 H2O - log_k -1.4028 - -delta_H -34.6176 kJ/mol # Calculated enthalpy of reaction UO2SO4:3H2O + UO2SO4:3H2O = SO4-2 + UO2+2 + 3 H2O + log_k -1.4028 + -delta_H -34.6176 kJ/mol # Calculated enthalpy of reaction UO2SO4:3H2O # Enthalpy of formation: -2751.5 kJ/mol - -analytic -5.0134e+001 -1.0321e-002 3.0505e+003 1.6799e+001 5.1818e+001 + -analytic -5.0134e+1 -1.0321e-2 3.0505e+3 1.6799e+1 5.1818e+1 # -Range: 0-200 UO2SO4:H2O - UO2SO4:H2O = + 1.0000 H2O + 1.0000 SO4-- + 1.0000 UO2++ - log_k -6.0233 - -delta_H -39.1783 kJ/mol # Calculated enthalpy of reaction UO2SO4:H2O + UO2SO4:H2O = H2O + SO4-2 + UO2+2 + log_k -6.0233 + -delta_H -39.1783 kJ/mol # Calculated enthalpy of reaction UO2SO4:H2O # Enthalpy of formation: -519.9 kcal/mol - -analytic -1.8879e+002 -6.9827e-002 5.5636e+003 7.4717e+001 8.6870e+001 + -analytic -1.8879e+2 -6.9827e-2 5.5636e+3 7.4717e+1 8.687e+1 # -Range: 0-300 UO3(alpha) - UO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 UO2++ - log_k 8.6391 - -delta_H -87.3383 kJ/mol # Calculated enthalpy of reaction UO3(alpha) + UO3 + 2 H+ = H2O + UO2+2 + log_k 8.6391 + -delta_H -87.3383 kJ/mol # Calculated enthalpy of reaction UO3(alpha) # Enthalpy of formation: -1217.5 kJ/mol - -analytic -1.4099e+001 -1.9063e-003 4.7742e+003 2.9478e+000 7.4501e+001 + -analytic -1.4099e+1 -1.9063e-3 4.7742e+3 2.9478e+0 7.4501e+1 # -Range: 0-300 UO3(beta) - UO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 UO2++ - log_k 8.3095 - -delta_H -84.5383 kJ/mol # Calculated enthalpy of reaction UO3(beta) + UO3 + 2 H+ = H2O + UO2+2 + log_k 8.3095 + -delta_H -84.5383 kJ/mol # Calculated enthalpy of reaction UO3(beta) # Enthalpy of formation: -1220.3 kJ/mol - -analytic -1.2298e+001 -1.7800e-003 4.5621e+003 2.3593e+000 7.1191e+001 + -analytic -1.2298e+1 -1.78e-3 4.5621e+3 2.3593e+0 7.1191e+1 # -Range: 0-300 UO3(gamma) - UO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 UO2++ - log_k 7.7073 - -delta_H -81.0383 kJ/mol # Calculated enthalpy of reaction UO3(gamma) + UO3 + 2 H+ = H2O + UO2+2 + log_k 7.7073 + -delta_H -81.0383 kJ/mol # Calculated enthalpy of reaction UO3(gamma) # Enthalpy of formation: -1223.8 kJ/mol - -analytic -1.1573e+001 -2.3560e-003 4.3124e+003 2.2305e+000 6.7294e+001 + -analytic -1.1573e+1 -2.356e-3 4.3124e+3 2.2305e+0 6.7294e+1 # -Range: 0-300 UO3:.9H2O(alpha) - UO3:.9H2O +2.0000 H+ = + 1.0000 UO2++ + 1.9000 H2O - log_k 5.0167 - -delta_H -55.7928 kJ/mol # Calculated enthalpy of reaction UO3:.9H2O(alpha) + UO3:.9H2O + 2 H+ = UO2+2 + 1.9 H2O + log_k 5.0167 + -delta_H -55.7928 kJ/mol # Calculated enthalpy of reaction UO3:.9H2O(alpha) # Enthalpy of formation: -1506.3 kJ/mol - -analytic -6.9286e+001 -3.0624e-003 5.5984e+003 2.2809e+001 9.5092e+001 + -analytic -6.9286e+1 -3.0624e-3 5.5984e+3 2.2809e+1 9.5092e+1 # -Range: 0-200 UO3:2H2O - UO3:2H2O +2.0000 H+ = + 1.0000 UO2++ + 3.0000 H2O - log_k 4.8333 - -delta_H -50.415 kJ/mol # Calculated enthalpy of reaction UO3:2H2O + UO3:2H2O + 2 H+ = UO2+2 + 3 H2O + log_k 4.8333 + -delta_H -50.415 kJ/mol # Calculated enthalpy of reaction UO3:2H2O # Enthalpy of formation: -1826.1 kJ/mol - -analytic -5.9530e+001 -9.8107e-003 4.4975e+003 2.1098e+001 7.0196e+001 + -analytic -5.953e+1 -9.8107e-3 4.4975e+3 2.1098e+1 7.0196e+1 # -Range: 0-300 UOBr2 - UOBr2 +2.0000 H+ = + 1.0000 H2O + 1.0000 U++++ + 2.0000 Br- - log_k 7.9722 - -delta_H -146.445 kJ/mol # Calculated enthalpy of reaction UOBr2 + UOBr2 + 2 H+ = H2O + U+4 + 2 Br- + log_k 7.9722 + -delta_H -146.445 kJ/mol # Calculated enthalpy of reaction UOBr2 # Enthalpy of formation: -973.6 kJ/mol - -analytic -2.0747e+002 -7.0500e-002 1.1746e+004 7.9629e+001 1.8334e+002 + -analytic -2.0747e+2 -7.05e-2 1.1746e+4 7.9629e+1 1.8334e+2 # -Range: 0-300 UOBr3 - UOBr3 +1.0000 H2O = + 1.0000 UO2+ + 2.0000 H+ + 3.0000 Br- - log_k 23.5651 - -delta_H -149.799 kJ/mol # Calculated enthalpy of reaction UOBr3 + UOBr3 + H2O = UO2+ + 2 H+ + 3 Br- + log_k 23.5651 + -delta_H -149.799 kJ/mol # Calculated enthalpy of reaction UOBr3 # Enthalpy of formation: -954 kJ/mol - -analytic -2.0001e+002 -8.4632e-002 1.1381e+004 8.5102e+001 1.7765e+002 + -analytic -2.0001e+2 -8.4632e-2 1.1381e+4 8.5102e+1 1.7765e+2 # -Range: 0-300 UOCl - UOCl +2.0000 H+ = + 1.0000 Cl- + 1.0000 H2O + 1.0000 U+++ - log_k 10.3872 - -delta_H -108.118 kJ/mol # Calculated enthalpy of reaction UOCl + UOCl + 2 H+ = Cl- + H2O + U+3 + log_k 10.3872 + -delta_H -108.118 kJ/mol # Calculated enthalpy of reaction UOCl # Enthalpy of formation: -833.9 kJ/mol - -analytic -1.1989e+002 -4.0791e-002 8.0834e+003 4.6600e+001 1.2617e+002 + -analytic -1.1989e+2 -4.0791e-2 8.0834e+3 4.66e+1 1.2617e+2 # -Range: 0-300 UOCl2 - UOCl2 +2.0000 H+ = + 1.0000 H2O + 1.0000 U++++ + 2.0000 Cl- - log_k 5.4559 - -delta_H -141.898 kJ/mol # Calculated enthalpy of reaction UOCl2 + UOCl2 + 2 H+ = H2O + U+4 + 2 Cl- + log_k 5.4559 + -delta_H -141.898 kJ/mol # Calculated enthalpy of reaction UOCl2 # Enthalpy of formation: -1069.3 kJ/mol - -analytic -2.2096e+002 -7.3329e-002 1.1858e+004 8.4250e+001 1.8509e+002 + -analytic -2.2096e+2 -7.3329e-2 1.1858e+4 8.425e+1 1.8509e+2 # -Range: 0-300 UOCl3 - UOCl3 +1.0000 H2O = + 1.0000 UO2+ + 2.0000 H+ + 3.0000 Cl- - log_k 12.6370 - -delta_H -100.528 kJ/mol # Calculated enthalpy of reaction UOCl3 + UOCl3 + H2O = UO2+ + 2 H+ + 3 Cl- + log_k 12.637 + -delta_H -100.528 kJ/mol # Calculated enthalpy of reaction UOCl3 # Enthalpy of formation: -1140 kJ/mol - -analytic -2.1934e+002 -8.8639e-002 9.3198e+003 9.1775e+001 1.4549e+002 + -analytic -2.1934e+2 -8.8639e-2 9.3198e+3 9.1775e+1 1.4549e+2 # -Range: 0-300 UOF2 - UOF2 +2.0000 H+ = + 1.0000 H2O + 1.0000 U++++ + 2.0000 F- - log_k -18.1473 - -delta_H -43.1335 kJ/mol # Calculated enthalpy of reaction UOF2 + UOF2 + 2 H+ = H2O + U+4 + 2 F- + log_k -18.1473 + -delta_H -43.1335 kJ/mol # Calculated enthalpy of reaction UOF2 # Enthalpy of formation: -1504.6 kJ/mol - -analytic -6.9471e+001 -2.6188e-002 2.5576e+003 2.0428e+001 4.3454e+001 + -analytic -6.9471e+1 -2.6188e-2 2.5576e+3 2.0428e+1 4.3454e+1 # -Range: 0-200 UOF2:H2O - UOF2:H2O +2.0000 H+ = + 1.0000 U++++ + 2.0000 F- + 2.0000 H2O - log_k -18.7019 - -delta_H -31.5719 kJ/mol # Calculated enthalpy of reaction UOF2:H2O + UOF2:H2O + 2 H+ = U+4 + 2 F- + 2 H2O + log_k -18.7019 + -delta_H -31.5719 kJ/mol # Calculated enthalpy of reaction UOF2:H2O # Enthalpy of formation: -1802 kJ/mol - -analytic -9.5010e+001 -2.6355e-002 3.1474e+003 2.9746e+001 5.3480e+001 + -analytic -9.501e+1 -2.6355e-2 3.1474e+3 2.9746e+1 5.348e+1 # -Range: 0-200 UOF4 - UOF4 +1.0000 H2O = + 1.0000 UO2++ + 2.0000 H+ + 4.0000 F- - log_k 4.5737 - -delta_H -149.952 kJ/mol # Calculated enthalpy of reaction UOF4 + UOF4 + H2O = UO2+2 + 2 H+ + 4 F- + log_k 4.5737 + -delta_H -149.952 kJ/mol # Calculated enthalpy of reaction UOF4 # Enthalpy of formation: -1924.6 kJ/mol - -analytic -5.9731e+000 -3.8581e-002 4.6903e+003 2.5464e+000 7.9649e+001 + -analytic -5.9731e+0 -3.8581e-2 4.6903e+3 2.5464e+0 7.9649e+1 # -Range: 0-200 UOFOH - UOFOH +3.0000 H+ = + 1.0000 F- + 1.0000 U++++ + 2.0000 H2O - log_k -8.9274 - -delta_H -71.5243 kJ/mol # Calculated enthalpy of reaction UOFOH + UOFOH + 3 H+ = F- + U+4 + 2 H2O + log_k -8.9274 + -delta_H -71.5243 kJ/mol # Calculated enthalpy of reaction UOFOH # Enthalpy of formation: -1426.7 kJ/mol - -analytic -9.2412e+001 -1.7293e-002 5.8150e+003 2.7940e+001 9.8779e+001 + -analytic -9.2412e+1 -1.7293e-2 5.815e+3 2.794e+1 9.8779e+1 # -Range: 0-200 UOFOH:.5H2O - UOFOH:.5H2O +1.0000 H+ +0.5000 O2 = + 1.0000 F- + 1.0000 UO2++ + 1.5000 H2O - log_k 24.5669 - -delta_H -200.938 kJ/mol # Calculated enthalpy of reaction UOFOH:.5H2O + UOFOH:.5H2O + H+ + 0.5 O2 = F- + UO2+2 + 1.5 H2O + log_k 24.5669 + -delta_H -200.938 kJ/mol # Calculated enthalpy of reaction UOFOH:.5H2O # Enthalpy of formation: -1576.1 kJ/mol - -analytic -1.1024e+001 -7.7180e-003 1.0019e+004 1.7305e+000 1.7014e+002 + -analytic -1.1024e+1 -7.718e-3 1.0019e+4 1.7305e+0 1.7014e+2 # -Range: 0-200 UP - UP +2.0000 O2 +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 U+++ - log_k 233.4928 - -delta_H -1487.11 kJ/mol # Calculated enthalpy of reaction UP + UP + 2 O2 + H+ = HPO4-2 + U+3 + log_k 233.4928 + -delta_H -1487.11 kJ/mol # Calculated enthalpy of reaction UP # Enthalpy of formation: -269.8 kJ/mol - -analytic -2.1649e+002 -9.0873e-002 8.3804e+004 8.1649e+001 -5.4044e+005 + -analytic -2.1649e+2 -9.0873e-2 8.3804e+4 8.1649e+1 -5.4044e+5 # -Range: 0-300 UP2 - UP2 +3.2500 O2 +1.5000 H2O = + 1.0000 H+ + 1.0000 U+++ + 2.0000 HPO4-- - log_k 360.5796 - -delta_H -2301.07 kJ/mol # Calculated enthalpy of reaction UP2 + UP2 + 3.25 O2 + 1.5 H2O = H+ + U+3 + 2 HPO4-2 + log_k 360.5796 + -delta_H -2301.07 kJ/mol # Calculated enthalpy of reaction UP2 # Enthalpy of formation: -304 kJ/mol - -analytic -2.4721e+002 -1.5005e-001 1.2243e+005 9.9521e+001 -3.9706e+005 + -analytic -2.4721e+2 -1.5005e-1 1.2243e+5 9.9521e+1 -3.9706e+5 # -Range: 0-300 UP2O7 - UP2O7 +1.0000 H2O = + 1.0000 U++++ + 2.0000 HPO4-- - log_k -32.9922 - -delta_H -37.5256 kJ/mol # Calculated enthalpy of reaction UP2O7 + UP2O7 + H2O = U+4 + 2 HPO4-2 + log_k -32.9922 + -delta_H -37.5256 kJ/mol # Calculated enthalpy of reaction UP2O7 # Enthalpy of formation: -2852 kJ/mol - -analytic -3.5910e+002 -1.3819e-001 7.6509e+003 1.3804e+002 1.1949e+002 + -analytic -3.591e+2 -1.3819e-1 7.6509e+3 1.3804e+2 1.1949e+2 # -Range: 0-300 UP2O7:20H2O - UP2O7:20H2O = + 1.0000 U++++ + 2.0000 HPO4-- + 19.0000 H2O - log_k -28.6300 - -delta_H 0 # Not possible to calculate enthalpy of reaction UP2O7:20H2O + UP2O7:20H2O = U+4 + 2 HPO4-2 + 19 H2O + log_k -28.63 + -delta_H 0 # Not possible to calculate enthalpy of reaction UP2O7:20H2O # Enthalpy of formation: 0 kcal/mol UPO5 - UPO5 +1.0000 H2O = + 1.0000 H+ + 1.0000 HPO4-- + 1.0000 UO2+ - log_k -19.5754 - -delta_H 32.6294 kJ/mol # Calculated enthalpy of reaction UPO5 + UPO5 + H2O = H+ + HPO4-2 + UO2+ + log_k -19.5754 + -delta_H 32.6294 kJ/mol # Calculated enthalpy of reaction UPO5 # Enthalpy of formation: -2064 kJ/mol - -analytic -1.5316e+002 -6.0911e-002 7.3255e+002 6.0317e+001 1.1476e+001 + -analytic -1.5316e+2 -6.0911e-2 7.3255e+2 6.0317e+1 1.1476e+1 # -Range: 0-300 US - US +2.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 HS- + 1.0000 U+++ - log_k 46.6547 - -delta_H -322.894 kJ/mol # Calculated enthalpy of reaction US + US + 2 H+ + 0.25 O2 = 0.5 H2O + HS- + U+3 + log_k 46.6547 + -delta_H -322.894 kJ/mol # Calculated enthalpy of reaction US # Enthalpy of formation: -322.2 kJ/mol - -analytic -1.0845e+002 -4.0538e-002 1.8749e+004 4.2147e+001 2.9259e+002 + -analytic -1.0845e+2 -4.0538e-2 1.8749e+4 4.2147e+1 2.9259e+2 # -Range: 0-300 US1.9 - US1.9 +1.9000 H+ = + 0.2000 U+++ + 0.8000 U++++ + 1.9000 HS- - log_k -2.2816 - -delta_H -91.486 kJ/mol # Calculated enthalpy of reaction US1.9 + US1.9 + 1.9 H+ = 0.2 U+3 + 0.8 U+4 + 1.9 HS- + log_k -2.2816 + -delta_H -91.486 kJ/mol # Calculated enthalpy of reaction US1.9 # Enthalpy of formation: -509.9 kJ/mol - -analytic -2.0534e+002 -6.8390e-002 8.8888e+003 7.8243e+001 1.3876e+002 + -analytic -2.0534e+2 -6.839e-2 8.8888e+3 7.8243e+1 1.3876e+2 # -Range: 0-300 US2 - US2 +2.0000 H+ = + 1.0000 U++++ + 2.0000 HS- - log_k -2.3324 - -delta_H -103.017 kJ/mol # Calculated enthalpy of reaction US2 + US2 + 2 H+ = U+4 + 2 HS- + log_k -2.3324 + -delta_H -103.017 kJ/mol # Calculated enthalpy of reaction US2 # Enthalpy of formation: -520.4 kJ/mol - -analytic -2.1819e+002 -7.1522e-002 9.7782e+003 8.2586e+001 1.5264e+002 + -analytic -2.1819e+2 -7.1522e-2 9.7782e+3 8.2586e+1 1.5264e+2 # -Range: 0-300 US3 - US3 +2.0000 H2O = + 1.0000 H+ + 1.0000 UO2++ + 3.0000 HS- - log_k -16.6370 - -delta_H 43.9515 kJ/mol # Calculated enthalpy of reaction US3 + US3 + 2 H2O = H+ + UO2+2 + 3 HS- + log_k -16.637 + -delta_H 43.9515 kJ/mol # Calculated enthalpy of reaction US3 # Enthalpy of formation: -539.6 kJ/mol - -analytic -2.3635e+002 -9.5877e-002 1.9170e+003 9.7726e+001 2.9982e+001 + -analytic -2.3635e+2 -9.5877e-2 1.917e+3 9.7726e+1 2.9982e+1 # -Range: 0-300 USb - USb +3.0000 H+ +1.5000 O2 = + 1.0000 Sb(OH)3 + 1.0000 U+++ - log_k 176.0723 - -delta_H -1106.19 kJ/mol # Calculated enthalpy of reaction USb + USb + 3 H+ + 1.5 O2 = Sb(OH)3 + U+3 + log_k 176.0723 + -delta_H -1106.19 kJ/mol # Calculated enthalpy of reaction USb # Enthalpy of formation: -138.5 kJ/mol USb2 - USb2 +3.0000 H+ +2.2500 O2 +1.5000 H2O = + 1.0000 U+++ + 2.0000 Sb(OH)3 - log_k 223.1358 - -delta_H -1407.02 kJ/mol # Calculated enthalpy of reaction USb2 + USb2 + 3 H+ + 2.25 O2 + 1.5 H2O = U+3 + 2 Sb(OH)3 + log_k 223.1358 + -delta_H -1407.02 kJ/mol # Calculated enthalpy of reaction USb2 # Enthalpy of formation: -173.6 kJ/mol Uranium-selenide - 1.0USe +1.7500 O2 +1.0000 H+ = + 0.5000 H2O + 1.0000 SeO3-- + 1.0000 U+++ - log_k 125.6086 - -delta_H -844.278 kJ/mol # Calculated enthalpy of reaction Uranium-selenide + 1 USe + 1.75 O2 + H+ = 0.5 H2O + SeO3-2 + U+3 + log_k 125.6086 + -delta_H -844.278 kJ/mol # Calculated enthalpy of reaction Uranium-selenide # Enthalpy of formation: -275.7 kJ/mol - -analytic -1.0853e+002 -7.6251e-002 4.3230e+004 4.5189e+001 6.7460e+002 + -analytic -1.0853e+2 -7.6251e-2 4.323e+4 4.5189e+1 6.746e+2 # -Range: 0-300 USe2(alpha) - USe2 +2.7500 O2 +0.5000 H2O = + 1.0000 H+ + 1.0000 U+++ + 2.0000 SeO3-- - log_k 125.4445 - -delta_H -904.199 kJ/mol # Calculated enthalpy of reaction USe2(alpha) + USe2 + 2.75 O2 + 0.5 H2O = H+ + U+3 + 2 SeO3-2 + log_k 125.4445 + -delta_H -904.199 kJ/mol # Calculated enthalpy of reaction USe2(alpha) # Enthalpy of formation: -427 kJ/mol - -analytic -2.0454e+002 -1.4191e-001 4.6114e+004 8.7906e+001 7.1963e+002 + -analytic -2.0454e+2 -1.4191e-1 4.6114e+4 8.7906e+1 7.1963e+2 # -Range: 0-300 USe2(beta) - USe2 +2.7500 O2 +0.5000 H2O = + 1.0000 H+ + 1.0000 U+++ + 2.0000 SeO3-- - log_k 125.2868 - -delta_H -904.199 kJ/mol # Calculated enthalpy of reaction USe2(beta) + USe2 + 2.75 O2 + 0.5 H2O = H+ + U+3 + 2 SeO3-2 + log_k 125.2868 + -delta_H -904.199 kJ/mol # Calculated enthalpy of reaction USe2(beta) # Enthalpy of formation: -427 kJ/mol - -analytic -2.0334e+002 -1.4147e-001 4.6082e+004 8.7349e+001 7.1913e+002 + -analytic -2.0334e+2 -1.4147e-1 4.6082e+4 8.7349e+1 7.1913e+2 # -Range: 0-300 USe3 - USe3 +3.7500 O2 +1.5000 H2O = + 1.0000 U+++ + 3.0000 H+ + 3.0000 SeO3-- - log_k 147.2214 - -delta_H -1090.42 kJ/mol # Calculated enthalpy of reaction USe3 + USe3 + 3.75 O2 + 1.5 H2O = U+3 + 3 H+ + 3 SeO3-2 + log_k 147.2214 + -delta_H -1090.42 kJ/mol # Calculated enthalpy of reaction USe3 # Enthalpy of formation: -452 kJ/mol - -analytic 4.9201e+002 -1.3720e-002 3.2168e+004 -1.8131e+002 5.4609e+002 + -analytic 4.9201e+2 -1.372e-2 3.2168e+4 -1.8131e+2 5.4609e+2 # -Range: 0-200 Umangite - Cu3Se2 = + 1.0000 Cu++ + 2.0000 Cu+ + 2.0000 Se-- - log_k -93.8412 - -delta_H 0 # Not possible to calculate enthalpy of reaction Umangite + Cu3Se2 = Cu+2 + 2 Cu+ + 2 Se-2 + log_k -93.8412 + -delta_H 0 # Not possible to calculate enthalpy of reaction Umangite # Enthalpy of formation: -25 kcal/mol - -analytic -7.2308e+001 -2.2566e-003 -2.0738e+004 1.9677e+001 -3.5214e+002 + -analytic -7.2308e+1 -2.2566e-3 -2.0738e+4 1.9677e+1 -3.5214e+2 # -Range: 0-200 Uraninite - UO2 +4.0000 H+ = + 1.0000 U++++ + 2.0000 H2O - log_k -4.8372 - -delta_H -77.8767 kJ/mol # Calculated enthalpy of reaction Uraninite + UO2 + 4 H+ = U+4 + 2 H2O + log_k -4.8372 + -delta_H -77.8767 kJ/mol # Calculated enthalpy of reaction Uraninite # Enthalpy of formation: -1085 kJ/mol - -analytic -7.5776e+001 -1.0558e-002 5.9677e+003 2.1853e+001 9.3142e+001 + -analytic -7.5776e+1 -1.0558e-2 5.9677e+3 2.1853e+1 9.3142e+1 # -Range: 0-300 Uranocircite - Ba(UO2)2(PO4)2 +2.0000 H+ = + 1.0000 Ba++ + 2.0000 HPO4-- + 2.0000 UO2++ - log_k -19.8057 - -delta_H -72.3317 kJ/mol # Calculated enthalpy of reaction Uranocircite + Ba(UO2)2(PO4)2 + 2 H+ = Ba+2 + 2 HPO4-2 + 2 UO2+2 + log_k -19.8057 + -delta_H -72.3317 kJ/mol # Calculated enthalpy of reaction Uranocircite # Enthalpy of formation: -1215.94 kcal/mol - -analytic -3.6843e+001 -4.3076e-002 1.2427e+003 1.0384e+001 2.1115e+001 + -analytic -3.6843e+1 -4.3076e-2 1.2427e+3 1.0384e+1 2.1115e+1 # -Range: 0-200 Uranophane - Ca(UO2)2(SiO3)2(OH)2 +6.0000 H+ = + 1.0000 Ca++ + 2.0000 SiO2 + 2.0000 UO2++ + 4.0000 H2O - log_k 17.2850 - -delta_H 0 # Not possible to calculate enthalpy of reaction Uranophane + Ca(UO2)2(SiO3)2(OH)2 + 6 H+ = Ca+2 + 2 SiO2 + 2 UO2+2 + 4 H2O + log_k 17.285 + -delta_H 0 # Not possible to calculate enthalpy of reaction Uranophane # Enthalpy of formation: 0 kcal/mol V - V +3.0000 H+ +0.7500 O2 = + 1.0000 V+++ + 1.5000 H2O - log_k 106.9435 - -delta_H -680.697 kJ/mol # Calculated enthalpy of reaction V + V + 3 H+ + 0.75 O2 = V+3 + 1.5 H2O + log_k 106.9435 + -delta_H -680.697 kJ/mol # Calculated enthalpy of reaction V # Enthalpy of formation: 0 kJ/mol - -analytic -1.0508e+002 -2.1334e-002 4.0364e+004 3.5012e+001 -3.2290e+005 + -analytic -1.0508e+2 -2.1334e-2 4.0364e+4 3.5012e+1 -3.229e+5 # -Range: 0-300 V2O4 - V2O4 +4.0000 H+ = + 2.0000 H2O + 2.0000 VO++ - log_k 8.5719 - -delta_H -117.564 kJ/mol # Calculated enthalpy of reaction V2O4 + V2O4 + 4 H+ = 2 H2O + 2 VO+2 + log_k 8.5719 + -delta_H -117.564 kJ/mol # Calculated enthalpy of reaction V2O4 # Enthalpy of formation: -1427.31 kJ/mol - -analytic -1.4429e+002 -3.7423e-002 9.7046e+003 5.3125e+001 1.5147e+002 + -analytic -1.4429e+2 -3.7423e-2 9.7046e+3 5.3125e+1 1.5147e+2 # -Range: 0-300 V3O5 - V3O5 +8.0000 H+ = + 1.0000 VO++ + 2.0000 V+++ + 4.0000 H2O - log_k 13.4312 - -delta_H -218.857 kJ/mol # Calculated enthalpy of reaction V3O5 + V3O5 + 8 H+ = VO+2 + 2 V+3 + 4 H2O + log_k 13.4312 + -delta_H -218.857 kJ/mol # Calculated enthalpy of reaction V3O5 # Enthalpy of formation: -1933.17 kJ/mol - -analytic -1.7652e+002 -2.1959e-002 1.6814e+004 5.6618e+001 2.8559e+002 + -analytic -1.7652e+2 -2.1959e-2 1.6814e+4 5.6618e+1 2.8559e+2 # -Range: 0-200 V4O7 - V4O7 +10.0000 H+ = + 2.0000 V+++ + 2.0000 VO++ + 5.0000 H2O - log_k 18.7946 - -delta_H -284.907 kJ/mol # Calculated enthalpy of reaction V4O7 + V4O7 + 10 H+ = 2 V+3 + 2 VO+2 + 5 H2O + log_k 18.7946 + -delta_H -284.907 kJ/mol # Calculated enthalpy of reaction V4O7 # Enthalpy of formation: -2639.56 kJ/mol - -analytic -2.2602e+002 -3.0261e-002 2.1667e+004 7.3214e+001 3.6800e+002 + -analytic -2.2602e+2 -3.0261e-2 2.1667e+4 7.3214e+1 3.68e+2 # -Range: 0-200 Vaesite - NiS2 +1.0000 H2O = + 0.2500 H+ + 0.2500 SO4-- + 1.0000 Ni++ + 1.7500 HS- - log_k -26.7622 - -delta_H 110.443 kJ/mol # Calculated enthalpy of reaction Vaesite + NiS2 + H2O = 0.25 H+ + 0.25 SO4-2 + Ni+2 + 1.75 HS- + log_k -26.7622 + -delta_H 110.443 kJ/mol # Calculated enthalpy of reaction Vaesite # Enthalpy of formation: -32.067 kcal/mol - -analytic 1.6172e+001 -2.2673e-002 -8.2514e+003 -3.4392e+000 -1.4013e+002 + -analytic 1.6172e+1 -2.2673e-2 -8.2514e+3 -3.4392e+0 -1.4013e+2 # -Range: 0-200 Vivianite - Fe3(PO4)2:8H2O +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Fe++ + 8.0000 H2O - log_k -4.7237 - -delta_H 0 # Not possible to calculate enthalpy of reaction Vivianite + Fe3(PO4)2:8H2O + 2 H+ = 2 HPO4-2 + 3 Fe+2 + 8 H2O + log_k -4.7237 + -delta_H 0 # Not possible to calculate enthalpy of reaction Vivianite # Enthalpy of formation: 0 kcal/mol W - W +1.5000 O2 +1.0000 H2O = + 1.0000 WO4-- + 2.0000 H+ - log_k 123.4334 - -delta_H -771.668 kJ/mol # Calculated enthalpy of reaction W + W + 1.5 O2 + H2O = WO4-2 + 2 H+ + log_k 123.4334 + -delta_H -771.668 kJ/mol # Calculated enthalpy of reaction W # Enthalpy of formation: 0 kJ/mol - -analytic -1.0433e+002 -6.9470e-002 4.0134e+004 4.5993e+001 6.2629e+002 + -analytic -1.0433e+2 -6.947e-2 4.0134e+4 4.5993e+1 6.2629e+2 # -Range: 0-300 Wairakite - CaAl2Si4O10(OH)4 +8.0000 H+ = + 1.0000 Ca++ + 2.0000 Al+++ + 4.0000 SiO2 + 6.0000 H2O - log_k 18.0762 - -delta_H -237.781 kJ/mol # Calculated enthalpy of reaction Wairakite + CaAl2Si4O10(OH)4 + 8 H+ = Ca+2 + 2 Al+3 + 4 SiO2 + 6 H2O + log_k 18.0762 + -delta_H -237.781 kJ/mol # Calculated enthalpy of reaction Wairakite # Enthalpy of formation: -1579.33 kcal/mol - -analytic -1.7914e+001 3.2944e-003 2.2782e+004 -9.0981e+000 -1.6934e+006 + -analytic -1.7914e+1 3.2944e-3 2.2782e+4 -9.0981e+0 -1.6934e+6 # -Range: 0-300 Weeksite - K2(UO2)2(Si2O5)3:4H2O +6.0000 H+ = + 2.0000 K+ + 2.0000 UO2++ + 6.0000 SiO2 + 7.0000 H2O - log_k 15.3750 - -delta_H 0 # Not possible to calculate enthalpy of reaction Weeksite + K2(UO2)2(Si2O5)3:4H2O + 6 H+ = 2 K+ + 2 UO2+2 + 6 SiO2 + 7 H2O + log_k 15.375 + -delta_H 0 # Not possible to calculate enthalpy of reaction Weeksite # Enthalpy of formation: 0 kcal/mol Whitlockite - Ca3(PO4)2 +2.0000 H+ = + 2.0000 HPO4-- + 3.0000 Ca++ - log_k -4.2249 - -delta_H -116.645 kJ/mol # Calculated enthalpy of reaction Whitlockite + Ca3(PO4)2 + 2 H+ = 2 HPO4-2 + 3 Ca+2 + log_k -4.2249 + -delta_H -116.645 kJ/mol # Calculated enthalpy of reaction Whitlockite # Enthalpy of formation: -4096.77 kJ/mol - -analytic -5.3543e+002 -1.8842e-001 1.7176e+004 2.1406e+002 2.6817e+002 + -analytic -5.3543e+2 -1.8842e-1 1.7176e+4 2.1406e+2 2.6817e+2 # -Range: 0-300 Wilkmanite - Ni3Se4 +1.0000 H2O = + 0.5000 O2 + 2.0000 H+ + 3.0000 Ni++ + 4.0000 Se-- - log_k -152.8793 - -delta_H 0 # Not possible to calculate enthalpy of reaction Wilkmanite + Ni3Se4 + H2O = 0.5 O2 + 2 H+ + 3 Ni+2 + 4 Se-2 + log_k -152.8793 + -delta_H 0 # Not possible to calculate enthalpy of reaction Wilkmanite # Enthalpy of formation: -60.285 kcal/mol - -analytic -1.9769e+002 -4.9968e-002 -2.8208e+004 6.2863e+001 -1.1322e+005 + -analytic -1.9769e+2 -4.9968e-2 -2.8208e+4 6.2863e+1 -1.1322e+5 # -Range: 0-300 Witherite - BaCO3 +1.0000 H+ = + 1.0000 Ba++ + 1.0000 HCO3- - log_k -2.9965 - -delta_H 17.1628 kJ/mol # Calculated enthalpy of reaction Witherite + BaCO3 + H+ = Ba+2 + HCO3- + log_k -2.9965 + -delta_H 17.1628 kJ/mol # Calculated enthalpy of reaction Witherite # Enthalpy of formation: -297.5 kcal/mol - -analytic -1.2585e+002 -4.4315e-002 2.0227e+003 5.2239e+001 3.1600e+001 + -analytic -1.2585e+2 -4.4315e-2 2.0227e+3 5.2239e+1 3.16e+1 # -Range: 0-300 Wollastonite - CaSiO3 +2.0000 H+ = + 1.0000 Ca++ + 1.0000 H2O + 1.0000 SiO2 - log_k 13.7605 - -delta_H -76.5756 kJ/mol # Calculated enthalpy of reaction Wollastonite + CaSiO3 + 2 H+ = Ca+2 + H2O + SiO2 + log_k 13.7605 + -delta_H -76.5756 kJ/mol # Calculated enthalpy of reaction Wollastonite # Enthalpy of formation: -389.59 kcal/mol - -analytic 3.0931e+001 6.7466e-003 5.1749e+003 -1.3209e+001 -3.4579e+005 + -analytic 3.0931e+1 6.7466e-3 5.1749e+3 -1.3209e+1 -3.4579e+5 # -Range: 0-300 Wurtzite - ZnS +1.0000 H+ = + 1.0000 HS- + 1.0000 Zn++ - log_k -9.1406 - -delta_H 22.3426 kJ/mol # Calculated enthalpy of reaction Wurtzite + ZnS + H+ = HS- + Zn+2 + log_k -9.1406 + -delta_H 22.3426 kJ/mol # Calculated enthalpy of reaction Wurtzite # Enthalpy of formation: -45.85 kcal/mol - -analytic -1.5446e+002 -4.8874e-002 2.4551e+003 6.1278e+001 3.8355e+001 + -analytic -1.5446e+2 -4.8874e-2 2.4551e+3 6.1278e+1 3.8355e+1 # -Range: 0-300 Wustite - Fe.947O +2.0000 H+ = + 0.1060 Fe+++ + 0.8410 Fe++ + 1.0000 H2O - log_k 12.4113 - -delta_H -102.417 kJ/mol # Calculated enthalpy of reaction Wustite + Fe.947O + 2 H+ = 0.106 Fe+3 + 0.841 Fe+2 + H2O + log_k 12.4113 + -delta_H -102.417 kJ/mol # Calculated enthalpy of reaction Wustite # Enthalpy of formation: -266.265 kJ/mol - -analytic -7.6919e+001 -1.8433e-002 7.3823e+003 2.8312e+001 1.1522e+002 + -analytic -7.6919e+1 -1.8433e-2 7.3823e+3 2.8312e+1 1.1522e+2 # -Range: 0-300 Xonotlite - Ca6Si6O17(OH)2 +12.0000 H+ = + 6.0000 Ca++ + 6.0000 SiO2 + 7.0000 H2O - log_k 91.8267 - -delta_H -495.457 kJ/mol # Calculated enthalpy of reaction Xonotlite + Ca6Si6O17(OH)2 + 12 H+ = 6 Ca+2 + 6 SiO2 + 7 H2O + log_k 91.8267 + -delta_H -495.457 kJ/mol # Calculated enthalpy of reaction Xonotlite # Enthalpy of formation: -2397.25 kcal/mol - -analytic 1.6080e+003 3.7309e-001 -2.2548e+004 -6.2716e+002 -3.8346e+002 + -analytic 1.608e+3 3.7309e-1 -2.2548e+4 -6.2716e+2 -3.8346e+2 # -Range: 0-200 Y - Y +3.0000 H+ +0.7500 O2 = + 1.0000 Y+++ + 1.5000 H2O - log_k 184.5689 - -delta_H -1134.7 kJ/mol # Calculated enthalpy of reaction Y + Y + 3 H+ + 0.75 O2 = Y+3 + 1.5 H2O + log_k 184.5689 + -delta_H -1134.7 kJ/mol # Calculated enthalpy of reaction Y # Enthalpy of formation: 0 kJ/mol - -analytic -6.2641e+001 -2.8062e-002 5.9667e+004 2.2394e+001 9.3107e+002 + -analytic -6.2641e+1 -2.8062e-2 5.9667e+4 2.2394e+1 9.3107e+2 # -Range: 0-300 Yb - Yb +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Yb++ - log_k 137.1930 - -delta_H -810.303 kJ/mol # Calculated enthalpy of reaction Yb + Yb + 2 H+ + 0.5 O2 = H2O + Yb+2 + log_k 137.193 + -delta_H -810.303 kJ/mol # Calculated enthalpy of reaction Yb # Enthalpy of formation: 0 kJ/mol - -analytic -7.4712e+001 -2.0993e-002 4.4129e+004 2.8341e+001 6.8862e+002 + -analytic -7.4712e+1 -2.0993e-2 4.4129e+4 2.8341e+1 6.8862e+2 # -Range: 0-300 Yb(OH)3 - Yb(OH)3 +3.0000 H+ = + 1.0000 Yb+++ + 3.0000 H2O - log_k 14.6852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(OH)3 + Yb(OH)3 + 3 H+ = Yb+3 + 3 H2O + log_k 14.6852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(OH)3 # Enthalpy of formation: 0 kcal/mol Yb(OH)3(am) - Yb(OH)3 +3.0000 H+ = + 1.0000 Yb+++ + 3.0000 H2O - log_k 18.9852 - -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(OH)3(am) + Yb(OH)3 + 3 H+ = Yb+3 + 3 H2O + log_k 18.9852 + -delta_H 0 # Not possible to calculate enthalpy of reaction Yb(OH)3(am) # Enthalpy of formation: 0 kcal/mol Yb2(CO3)3 - Yb2(CO3)3 +3.0000 H+ = + 2.0000 Yb+++ + 3.0000 HCO3- - log_k -2.3136 - -delta_H 0 # Not possible to calculate enthalpy of reaction Yb2(CO3)3 + Yb2(CO3)3 + 3 H+ = 2 Yb+3 + 3 HCO3- + log_k -2.3136 + -delta_H 0 # Not possible to calculate enthalpy of reaction Yb2(CO3)3 # Enthalpy of formation: 0 kcal/mol Yb2O3 - Yb2O3 +6.0000 H+ = + 2.0000 Yb+++ + 3.0000 H2O - log_k 47.8000 - -delta_H 0 # Not possible to calculate enthalpy of reaction Yb2O3 + Yb2O3 + 6 H+ = 2 Yb+3 + 3 H2O + log_k 47.8 + -delta_H 0 # Not possible to calculate enthalpy of reaction Yb2O3 # Enthalpy of formation: 0 kcal/mol YbF3:.5H2O - YbF3:.5H2O = + 0.5000 H2O + 1.0000 Yb+++ + 3.0000 F- - log_k -16.0000 - -delta_H 0 # Not possible to calculate enthalpy of reaction YbF3:.5H2O + YbF3:.5H2O = 0.5 H2O + Yb+3 + 3 F- + log_k -16 + -delta_H 0 # Not possible to calculate enthalpy of reaction YbF3:.5H2O # Enthalpy of formation: 0 kcal/mol YbPO4:10H2O - YbPO4:10H2O +1.0000 H+ = + 1.0000 HPO4-- + 1.0000 Yb+++ + 10.0000 H2O - log_k -11.7782 - -delta_H 0 # Not possible to calculate enthalpy of reaction YbPO4:10H2O + YbPO4:10H2O + H+ = HPO4-2 + Yb+3 + 10 H2O + log_k -11.7782 + -delta_H 0 # Not possible to calculate enthalpy of reaction YbPO4:10H2O # Enthalpy of formation: 0 kcal/mol Zincite - ZnO +2.0000 H+ = + 1.0000 H2O + 1.0000 Zn++ - log_k 11.2087 - -delta_H -88.7638 kJ/mol # Calculated enthalpy of reaction Zincite + ZnO + 2 H+ = H2O + Zn+2 + log_k 11.2087 + -delta_H -88.7638 kJ/mol # Calculated enthalpy of reaction Zincite # Enthalpy of formation: -350.46 kJ/mol - -analytic -8.6681e+001 -1.9324e-002 7.1034e+003 3.2256e+001 1.1087e+002 + -analytic -8.6681e+1 -1.9324e-2 7.1034e+3 3.2256e+1 1.1087e+2 # -Range: 0-300 Zircon - ZrSiO4 +2.0000 H+ = + 1.0000 SiO2 + 1.0000 Zr(OH)2++ - log_k -15.4193 - -delta_H 64.8635 kJ/mol # Calculated enthalpy of reaction Zircon + ZrSiO4 + 2 H+ = SiO2 + Zr(OH)2+2 + log_k -15.4193 + -delta_H 64.8635 kJ/mol # Calculated enthalpy of reaction Zircon # Enthalpy of formation: -2033.4 kJ/mol - -analytic 9.2639e+000 6.5416e-003 5.0759e+002 -8.4547e+000 -6.6155e+005 + -analytic 9.2639e+0 6.5416e-3 5.0759e+2 -8.4547e+0 -6.6155e+5 # -Range: 0-300 Zn - Zn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Zn++ - log_k 68.8035 - -delta_H -433.157 kJ/mol # Calculated enthalpy of reaction Zn + Zn + 2 H+ + 0.5 O2 = H2O + Zn+2 + log_k 68.8035 + -delta_H -433.157 kJ/mol # Calculated enthalpy of reaction Zn # Enthalpy of formation: 0 kJ/mol - -analytic -6.4131e+001 -2.0009e-002 2.3921e+004 2.3702e+001 3.7329e+002 + -analytic -6.4131e+1 -2.0009e-2 2.3921e+4 2.3702e+1 3.7329e+2 # -Range: 0-300 Zn(BO2)2 - Zn(BO2)2 +2.0000 H+ +2.0000 H2O = + 1.0000 Zn++ + 2.0000 B(OH)3 - log_k 8.3130 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(BO2)2 + Zn(BO2)2 + 2 H+ + 2 H2O = Zn+2 + 2 B(OH)3 + log_k 8.313 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(BO2)2 # Enthalpy of formation: 0 kcal/mol Zn(ClO4)2:6H2O - Zn(ClO4)2:6H2O = + 1.0000 Zn++ + 2.0000 ClO4- + 6.0000 H2O - log_k 5.6474 - -delta_H 6.31871 kJ/mol # Calculated enthalpy of reaction Zn(ClO4)2:6H2O + Zn(ClO4)2:6H2O = Zn+2 + 2 ClO4- + 6 H2O + log_k 5.6474 + -delta_H 6.31871 kJ/mol # Calculated enthalpy of reaction Zn(ClO4)2:6H2O # Enthalpy of formation: -2133.39 kJ/mol - -analytic -1.8191e+002 -9.1383e-003 7.4822e+003 6.6751e+001 1.2712e+002 + -analytic -1.8191e+2 -9.1383e-3 7.4822e+3 6.6751e+1 1.2712e+2 # -Range: 0-200 Zn(IO3)2 - Zn(IO3)2 = + 1.0000 Zn++ + 2.0000 IO3- - log_k -5.3193 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(IO3)2 + Zn(IO3)2 = Zn+2 + 2 IO3- + log_k -5.3193 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(IO3)2 # Enthalpy of formation: 0 kcal/mol Zn(NO3)2:6H2O - Zn(NO3)2:6H2O = + 1.0000 Zn++ + 2.0000 NO3- + 6.0000 H2O - log_k 3.4102 - -delta_H 24.7577 kJ/mol # Calculated enthalpy of reaction Zn(NO3)2:6H2O + Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O + log_k 3.4102 + -delta_H 24.7577 kJ/mol # Calculated enthalpy of reaction Zn(NO3)2:6H2O # Enthalpy of formation: -2306.8 kJ/mol - -analytic -1.7152e+002 -1.6875e-002 5.6291e+003 6.5094e+001 9.5649e+001 + -analytic -1.7152e+2 -1.6875e-2 5.6291e+3 6.5094e+1 9.5649e+1 # -Range: 0-200 Zn(OH)2(beta) - Zn(OH)2 +2.0000 H+ = + 1.0000 Zn++ + 2.0000 H2O - log_k 11.9341 - -delta_H -83.2111 kJ/mol # Calculated enthalpy of reaction Zn(OH)2(beta) + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.9341 + -delta_H -83.2111 kJ/mol # Calculated enthalpy of reaction Zn(OH)2(beta) # Enthalpy of formation: -641.851 kJ/mol - -analytic -7.7810e+001 -7.8548e-003 7.1994e+003 2.7455e+001 1.2228e+002 + -analytic -7.781e+1 -7.8548e-3 7.1994e+3 2.7455e+1 1.2228e+2 # -Range: 0-200 Zn(OH)2(epsilon) - Zn(OH)2 +2.0000 H+ = + 1.0000 Zn++ + 2.0000 H2O - log_k 11.6625 - -delta_H -81.7811 kJ/mol # Calculated enthalpy of reaction Zn(OH)2(epsilon) + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.6625 + -delta_H -81.7811 kJ/mol # Calculated enthalpy of reaction Zn(OH)2(epsilon) # Enthalpy of formation: -643.281 kJ/mol - -analytic -7.7938e+001 -7.8767e-003 7.1282e+003 2.7496e+001 1.2107e+002 + -analytic -7.7938e+1 -7.8767e-3 7.1282e+3 2.7496e+1 1.2107e+2 # -Range: 0-200 Zn(OH)2(gamma) - Zn(OH)2 +2.0000 H+ = + 1.0000 Zn++ + 2.0000 H2O - log_k 11.8832 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)2(gamma) + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.8832 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn(OH)2(gamma) # Enthalpy of formation: 0 kcal/mol Zn2(OH)3Cl - Zn2(OH)3Cl +3.0000 H+ = + 1.0000 Cl- + 2.0000 Zn++ + 3.0000 H2O - log_k 15.2921 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn2(OH)3Cl + Zn2(OH)3Cl + 3 H+ = Cl- + 2 Zn+2 + 3 H2O + log_k 15.2921 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn2(OH)3Cl # Enthalpy of formation: 0 kcal/mol Zn2SO4(OH)2 - Zn2SO4(OH)2 +2.0000 H+ = + 1.0000 SO4-- + 2.0000 H2O + 2.0000 Zn++ - log_k 7.5816 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn2SO4(OH)2 + Zn2SO4(OH)2 + 2 H+ = SO4-2 + 2 H2O + 2 Zn+2 + log_k 7.5816 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn2SO4(OH)2 # Enthalpy of formation: 0 kcal/mol Zn2SiO4 - Zn2SiO4 +4.0000 H+ = + 1.0000 SiO2 + 2.0000 H2O + 2.0000 Zn++ - log_k 13.8695 - -delta_H -119.399 kJ/mol # Calculated enthalpy of reaction Zn2SiO4 + Zn2SiO4 + 4 H+ = SiO2 + 2 H2O + 2 Zn+2 + log_k 13.8695 + -delta_H -119.399 kJ/mol # Calculated enthalpy of reaction Zn2SiO4 # Enthalpy of formation: -1636.75 kJ/mol - -analytic 2.0970e+002 5.3663e-002 -1.2724e+002 -8.5445e+001 -2.2336e+000 + -analytic 2.097e+2 5.3663e-2 -1.2724e+2 -8.5445e+1 -2.2336e+0 # -Range: 0-200 Zn2TiO4 - Zn2TiO4 +4.0000 H+ = + 1.0000 Ti(OH)4 + 2.0000 Zn++ - log_k 12.3273 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn2TiO4 + Zn2TiO4 + 4 H+ = Ti(OH)4 + 2 Zn+2 + log_k 12.3273 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn2TiO4 # Enthalpy of formation: -1647.85 kJ/mol Zn3(AsO4)2 - Zn3(AsO4)2 +4.0000 H+ = + 2.0000 H2AsO4- + 3.0000 Zn++ - log_k 9.3122 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn3(AsO4)2 + Zn3(AsO4)2 + 4 H+ = 2 H2AsO4- + 3 Zn+2 + log_k 9.3122 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn3(AsO4)2 # Enthalpy of formation: 0 kcal/mol Zn3O(SO4)2 - Zn3O(SO4)2 +2.0000 H+ = + 1.0000 H2O + 2.0000 SO4-- + 3.0000 Zn++ - log_k 19.1188 - -delta_H -258.253 kJ/mol # Calculated enthalpy of reaction Zn3O(SO4)2 + Zn3O(SO4)2 + 2 H+ = H2O + 2 SO4-2 + 3 Zn+2 + log_k 19.1188 + -delta_H -258.253 kJ/mol # Calculated enthalpy of reaction Zn3O(SO4)2 # Enthalpy of formation: -2306.95 kJ/mol - -analytic -3.9661e+001 -4.3860e-002 1.1301e+004 1.3709e+001 1.9193e+002 + -analytic -3.9661e+1 -4.386e-2 1.1301e+4 1.3709e+1 1.9193e+2 # -Range: 0-200 Zn5(NO3)2(OH)8 - Zn5(NO3)2(OH)8 +8.0000 H+ = + 2.0000 NO3- + 5.0000 Zn++ + 8.0000 H2O - log_k 42.6674 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zn5(NO3)2(OH)8 + Zn5(NO3)2(OH)8 + 8 H+ = 2 NO3- + 5 Zn+2 + 8 H2O + log_k 42.6674 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zn5(NO3)2(OH)8 # Enthalpy of formation: 0 kcal/mol ZnBr2 - ZnBr2 = + 1.0000 Zn++ + 2.0000 Br- - log_k 7.5787 - -delta_H -67.7622 kJ/mol # Calculated enthalpy of reaction ZnBr2 + ZnBr2 = Zn+2 + 2 Br- + log_k 7.5787 + -delta_H -67.7622 kJ/mol # Calculated enthalpy of reaction ZnBr2 # Enthalpy of formation: -328.63 kJ/mol - -analytic 6.5789e-002 -2.1477e-002 1.9840e+003 2.9302e+000 3.3691e+001 + -analytic 6.5789e-2 -2.1477e-2 1.984e+3 2.9302e+0 3.3691e+1 # -Range: 0-200 ZnBr2:2H2O - ZnBr2:2H2O = + 1.0000 Zn++ + 2.0000 Br- + 2.0000 H2O - log_k 5.2999 - -delta_H -30.9268 kJ/mol # Calculated enthalpy of reaction ZnBr2:2H2O + ZnBr2:2H2O = Zn+2 + 2 Br- + 2 H2O + log_k 5.2999 + -delta_H -30.9268 kJ/mol # Calculated enthalpy of reaction ZnBr2:2H2O # Enthalpy of formation: -937.142 kJ/mol - -analytic -4.9260e+001 -2.1682e-002 2.4325e+003 2.1360e+001 4.1324e+001 + -analytic -4.926e+1 -2.1682e-2 2.4325e+3 2.136e+1 4.1324e+1 # -Range: 0-200 ZnCO3:H2O - ZnCO3:H2O +1.0000 H+ = + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Zn++ - log_k 0.1398 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZnCO3:H2O + ZnCO3:H2O + H+ = H2O + HCO3- + Zn+2 + log_k 0.1398 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZnCO3:H2O # Enthalpy of formation: 0 kcal/mol ZnCl2 - ZnCl2 = + 1.0000 Zn++ + 2.0000 Cl- - log_k 7.0880 - -delta_H -72.4548 kJ/mol # Calculated enthalpy of reaction ZnCl2 + ZnCl2 = Zn+2 + 2 Cl- + log_k 7.088 + -delta_H -72.4548 kJ/mol # Calculated enthalpy of reaction ZnCl2 # Enthalpy of formation: -415.09 kJ/mol - -analytic -1.6157e+001 -2.5405e-002 2.6505e+003 8.8584e+000 4.5015e+001 + -analytic -1.6157e+1 -2.5405e-2 2.6505e+3 8.8584e+0 4.5015e+1 # -Range: 0-200 ZnCl2(NH3)2 - ZnCl2(NH3)2 = + 1.0000 Zn++ + 2.0000 Cl- + 2.0000 NH3 - log_k -6.9956 - -delta_H 27.2083 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)2 + ZnCl2(NH3)2 = Zn+2 + 2 Cl- + 2 NH3 + log_k -6.9956 + -delta_H 27.2083 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)2 # Enthalpy of formation: -677.427 kJ/mol - -analytic -5.9409e+001 -2.2698e-002 -2.9178e+002 2.4308e+001 -4.9341e+000 + -analytic -5.9409e+1 -2.2698e-2 -2.9178e+2 2.4308e+1 -4.9341e+0 # -Range: 0-200 ZnCl2(NH3)4 - ZnCl2(NH3)4 = + 1.0000 Zn++ + 2.0000 Cl- + 4.0000 NH3 - log_k -6.6955 - -delta_H 56.2004 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)4 + ZnCl2(NH3)4 = Zn+2 + 2 Cl- + 4 NH3 + log_k -6.6955 + -delta_H 56.2004 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)4 # Enthalpy of formation: -869.093 kJ/mol - -analytic -9.9769e+001 -1.9793e-002 4.2916e+002 3.9412e+001 7.3223e+000 + -analytic -9.9769e+1 -1.9793e-2 4.2916e+2 3.9412e+1 7.3223e+0 # -Range: 0-200 ZnCl2(NH3)6 - ZnCl2(NH3)6 = + 1.0000 Zn++ + 2.0000 Cl- + 6.0000 NH3 - log_k -4.7311 - -delta_H 77.4225 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)6 + ZnCl2(NH3)6 = Zn+2 + 2 Cl- + 6 NH3 + log_k -4.7311 + -delta_H 77.4225 kJ/mol # Calculated enthalpy of reaction ZnCl2(NH3)6 # Enthalpy of formation: -1052.99 kJ/mol - -analytic -1.3984e+002 -1.6896e-002 1.5559e+003 5.4524e+001 2.6470e+001 + -analytic -1.3984e+2 -1.6896e-2 1.5559e+3 5.4524e+1 2.647e+1 # -Range: 0-200 ZnCr2O4 - ZnCr2O4 +8.0000 H+ = + 1.0000 Zn++ + 2.0000 Cr+++ + 4.0000 H2O - log_k 7.9161 - -delta_H -221.953 kJ/mol # Calculated enthalpy of reaction ZnCr2O4 + ZnCr2O4 + 8 H+ = Zn+2 + 2 Cr+3 + 4 H2O + log_k 7.9161 + -delta_H -221.953 kJ/mol # Calculated enthalpy of reaction ZnCr2O4 # Enthalpy of formation: -370.88 kcal/mol - -analytic -1.7603e+002 -1.0217e-002 1.7414e+004 5.1966e+001 2.9577e+002 + -analytic -1.7603e+2 -1.0217e-2 1.7414e+4 5.1966e+1 2.9577e+2 # -Range: 0-200 ZnF2 - ZnF2 = + 1.0000 Zn++ + 2.0000 F- - log_k -0.4418 - -delta_H -59.8746 kJ/mol # Calculated enthalpy of reaction ZnF2 + ZnF2 = Zn+2 + 2 F- + log_k -0.4418 + -delta_H -59.8746 kJ/mol # Calculated enthalpy of reaction ZnF2 # Enthalpy of formation: -764.206 kJ/mol - -analytic -2.6085e+002 -8.4594e-002 9.0240e+003 1.0318e+002 1.4089e+002 + -analytic -2.6085e+2 -8.4594e-2 9.024e+3 1.0318e+2 1.4089e+2 # -Range: 0-300 ZnI2 - ZnI2 = + 1.0000 Zn++ + 2.0000 I- - log_k 7.3885 - -delta_H -59.2332 kJ/mol # Calculated enthalpy of reaction ZnI2 + ZnI2 = Zn+2 + 2 I- + log_k 7.3885 + -delta_H -59.2332 kJ/mol # Calculated enthalpy of reaction ZnI2 # Enthalpy of formation: -207.957 kJ/mol - -analytic -1.6472e+001 -2.5573e-002 2.0796e+003 9.9013e+000 3.5320e+001 + -analytic -1.6472e+1 -2.5573e-2 2.0796e+3 9.9013e+0 3.532e+1 # -Range: 0-200 ZnSO4 - ZnSO4 = + 1.0000 SO4-- + 1.0000 Zn++ - log_k 3.5452 - -delta_H -80.132 kJ/mol # Calculated enthalpy of reaction ZnSO4 + ZnSO4 = SO4-2 + Zn+2 + log_k 3.5452 + -delta_H -80.132 kJ/mol # Calculated enthalpy of reaction ZnSO4 # Enthalpy of formation: -982.855 kJ/mol - -analytic 6.9905e+000 -1.8046e-002 2.2566e+003 -2.2819e+000 3.8318e+001 + -analytic 6.9905e+0 -1.8046e-2 2.2566e+3 -2.2819e+0 3.8318e+1 # -Range: 0-200 ZnSO4:6H2O - ZnSO4:6H2O = + 1.0000 SO4-- + 1.0000 Zn++ + 6.0000 H2O - log_k -1.6846 - -delta_H -0.412008 kJ/mol # Calculated enthalpy of reaction ZnSO4:6H2O + ZnSO4:6H2O = SO4-2 + Zn+2 + 6 H2O + log_k -1.6846 + -delta_H -0.412008 kJ/mol # Calculated enthalpy of reaction ZnSO4:6H2O # Enthalpy of formation: -2777.61 kJ/mol - -analytic -1.4506e+002 -1.8736e-002 5.2179e+003 5.3121e+001 8.8657e+001 + -analytic -1.4506e+2 -1.8736e-2 5.2179e+3 5.3121e+1 8.8657e+1 # -Range: 0-200 ZnSO4:7H2O - ZnSO4:7H2O = + 1.0000 SO4-- + 1.0000 Zn++ + 7.0000 H2O - log_k -1.8683 - -delta_H 14.0417 kJ/mol # Calculated enthalpy of reaction ZnSO4:7H2O + ZnSO4:7H2O = SO4-2 + Zn+2 + 7 H2O + log_k -1.8683 + -delta_H 14.0417 kJ/mol # Calculated enthalpy of reaction ZnSO4:7H2O # Enthalpy of formation: -3077.9 kJ/mol - -analytic -1.6943e+002 -1.8833e-002 5.6484e+003 6.2326e+001 9.5975e+001 + -analytic -1.6943e+2 -1.8833e-2 5.6484e+3 6.2326e+1 9.5975e+1 # -Range: 0-200 ZnSO4:H2O - ZnSO4:H2O = + 1.0000 H2O + 1.0000 SO4-- + 1.0000 Zn++ - log_k -0.5383 - -delta_H -44.2824 kJ/mol # Calculated enthalpy of reaction ZnSO4:H2O + ZnSO4:H2O = H2O + SO4-2 + Zn+2 + log_k -0.5383 + -delta_H -44.2824 kJ/mol # Calculated enthalpy of reaction ZnSO4:H2O # Enthalpy of formation: -1304.54 kJ/mol - -analytic -1.7908e+001 -1.8228e-002 1.5811e+003 7.0677e+000 2.6856e+001 + -analytic -1.7908e+1 -1.8228e-2 1.5811e+3 7.0677e+0 2.6856e+1 # -Range: 0-200 ZnSeO3:H2O - ZnSeO3:H2O = + 1.0000 H2O + 1.0000 SeO3-- + 1.0000 Zn++ - log_k -6.7408 - -delta_H -17.9056 kJ/mol # Calculated enthalpy of reaction ZnSeO3:H2O + ZnSeO3:H2O = H2O + SeO3-2 + Zn+2 + log_k -6.7408 + -delta_H -17.9056 kJ/mol # Calculated enthalpy of reaction ZnSeO3:H2O # Enthalpy of formation: -930.511 kJ/mol - -analytic -1.8569e+001 -1.9929e-002 6.4377e+001 7.0892e+000 1.0996e+000 + -analytic -1.8569e+1 -1.9929e-2 6.4377e+1 7.0892e+0 1.0996e+0 # -Range: 0-200 Zoisite - Ca2Al3(SiO4)3OH +13.0000 H+ = + 2.0000 Ca++ + 3.0000 Al+++ + 3.0000 SiO2 + 7.0000 H2O - log_k 43.3017 - -delta_H -458.131 kJ/mol # Calculated enthalpy of reaction Zoisite + Ca2Al3(SiO4)3OH + 13 H+ = 2 Ca+2 + 3 Al+3 + 3 SiO2 + 7 H2O + log_k 43.3017 + -delta_H -458.131 kJ/mol # Calculated enthalpy of reaction Zoisite # Enthalpy of formation: -1643.69 kcal/mol - -analytic 2.5321e+000 -3.5886e-002 1.9902e+004 -6.2443e+000 3.1055e+002 + -analytic 2.5321e+0 -3.5886e-2 1.9902e+4 -6.2443e+0 3.1055e+2 # -Range: 0-300 Zr - Zr +2.0000 H+ +1.0000 O2 = + 1.0000 Zr(OH)2++ - log_k 177.6471 - -delta_H -1078.71 kJ/mol # Calculated enthalpy of reaction Zr + Zr + 2 H+ + O2 = Zr(OH)2+2 + log_k 177.6471 + -delta_H -1078.71 kJ/mol # Calculated enthalpy of reaction Zr # Enthalpy of formation: 0 kJ/mol - -analytic -2.8360e+001 -1.5214e-002 5.8045e+004 7.8012e+000 -3.0657e+005 + -analytic -2.836e+1 -1.5214e-2 5.8045e+4 7.8012e+0 -3.0657e+5 # -Range: 0-300 ZrB2 - ZrB2 +3.0000 H+ +2.0000 H2O +0.5000 O2 = + 1.0000 B(OH)3 + 1.0000 BH4- + 1.0000 Zr++++ - log_k 103.4666 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrB2 + ZrB2 + 3 H+ + 2 H2O + 0.5 O2 = B(OH)3 + BH4- + Zr+4 + log_k 103.4666 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrB2 # Enthalpy of formation: -326.628 kJ/mol ZrC - ZrC +3.0000 H+ +2.0000 O2 = + 1.0000 H2O + 1.0000 HCO3- + 1.0000 Zr++++ - log_k 207.0906 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrC + ZrC + 3 H+ + 2 O2 = H2O + HCO3- + Zr+4 + log_k 207.0906 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrC # Enthalpy of formation: -203.008 kJ/mol ZrCl - ZrCl +3.0000 H+ +0.7500 O2 = + 1.0000 Cl- + 1.0000 Zr++++ + 1.5000 H2O - log_k 130.9450 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl + ZrCl + 3 H+ + 0.75 O2 = Cl- + Zr+4 + 1.5 H2O + log_k 130.945 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl # Enthalpy of formation: -303.211 kJ/mol ZrCl2 - ZrCl2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Zr++++ + 2.0000 Cl- - log_k 96.3205 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl2 + ZrCl2 + 2 H+ + 0.5 O2 = H2O + Zr+4 + 2 Cl- + log_k 96.3205 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl2 # Enthalpy of formation: -531.021 kJ/mol ZrCl3 - ZrCl3 +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Zr++++ + 3.0000 Cl- - log_k 62.4492 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl3 + ZrCl3 + H+ + 0.25 O2 = 0.5 H2O + Zr+4 + 3 Cl- + log_k 62.4492 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl3 # Enthalpy of formation: -754.997 kJ/mol ZrCl4 - ZrCl4 = + 1.0000 Zr++++ + 4.0000 Cl- - log_k 27.9824 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl4 + ZrCl4 = Zr+4 + 4 Cl- + log_k 27.9824 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrCl4 # Enthalpy of formation: -980.762 kJ/mol ZrF4(beta) - ZrF4 = + 1.0000 Zr++++ + 4.0000 F- - log_k -27.7564 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4(beta) + ZrF4 = Zr+4 + 4 F- + log_k -27.7564 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4(beta) # Enthalpy of formation: -1911.26 kJ/mol ZrH2 - ZrH2 +4.0000 H+ +1.5000 O2 = + 1.0000 Zr++++ + 3.0000 H2O - log_k 198.3224 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrH2 + ZrH2 + 4 H+ + 1.5 O2 = Zr+4 + 3 H2O + log_k 198.3224 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrH2 # Enthalpy of formation: -168.946 kJ/mol ZrN - ZrN +4.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 NH3 + 1.0000 Zr++++ - log_k 59.1271 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrN + ZrN + 4 H+ + 0.25 O2 = 0.5 H2O + NH3 + Zr+4 + log_k 59.1271 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrN # Enthalpy of formation: -365 kJ/mol O-phthalic_acid - H2O_phthalate = + 1.0000 O_phthalate-2 + 2.0000 H+ - log_k -9.7755 - -delta_H 0 # Not possible to calculate enthalpy of reaction O-phthalic_acid + H2O_phthalate = O_phthalate-2 + 2 H+ + log_k -9.7755 + -delta_H 0 # Not possible to calculate enthalpy of reaction O-phthalic_acid # Enthalpy of formation: -186.88 kJ/mol - -analytic 7.3450e+001 1.9477e-002 -3.6511e+003 -3.1035e+001 -6.2027e+001 + -analytic 7.345e+1 1.9477e-2 -3.6511e+3 -3.1035e+1 -6.2027e+1 # -Range: 0-200 Br2(l) - Br2 +1.0000 H2O = + 0.5000 O2 + 2.0000 Br- + 2.0000 H+ - log_k -6.5419 - -delta_H 36.7648 kJ/mol # Calculated enthalpy of reaction Br2(l) + Br2 + H2O = 0.5 O2 + 2 Br- + 2 H+ + log_k -6.5419 + -delta_H 36.7648 kJ/mol # Calculated enthalpy of reaction Br2(l) # Enthalpy of formation: 0 kJ/mol - -analytic -1.5875e+002 -5.8039e-002 1.5583e+003 6.6381e+001 2.4362e+001 + -analytic -1.5875e+2 -5.8039e-2 1.5583e+3 6.6381e+1 2.4362e+1 # -Range: 0-300 Hg(l) - Hg +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hg++ - log_k 14.1505 - -delta_H -109.608 kJ/mol # Calculated enthalpy of reaction Hg(l) + Hg + 2 H+ + 0.5 O2 = H2O + Hg+2 + log_k 14.1505 + -delta_H -109.608 kJ/mol # Calculated enthalpy of reaction Hg(l) # Enthalpy of formation: 0 kcal/mol - -analytic -6.6462e+001 -1.8504e-002 7.3141e+003 2.4888e+001 1.1415e+002 + -analytic -6.6462e+1 -1.8504e-2 7.3141e+3 2.4888e+1 1.1415e+2 # -Range: 0-300 Ag(g) - Ag +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Ag+ - log_k 51.0924 - -delta_H -319.035 kJ/mol # Calculated enthalpy of reaction Ag(g) + Ag + H+ + 0.25 O2 = 0.5 H2O + Ag+ + log_k 51.0924 + -delta_H -319.035 kJ/mol # Calculated enthalpy of reaction Ag(g) # Enthalpy of formation: 284.9 kJ/mol - -analytic -5.8006e+000 1.7178e-003 1.6809e+004 0.0000e+000 0.0000e+000 + -analytic -5.8006e+0 1.7178e-3 1.6809e+4 0e+0 0e+0 # -Range: 0-200 Al(g) - Al +3.0000 H+ +0.7500 O2 = + 1.0000 Al+++ + 1.5000 H2O - log_k 200.6258 - -delta_H -1288.06 kJ/mol # Calculated enthalpy of reaction Al(g) + Al + 3 H+ + 0.75 O2 = Al+3 + 1.5 H2O + log_k 200.6258 + -delta_H -1288.06 kJ/mol # Calculated enthalpy of reaction Al(g) # Enthalpy of formation: 330 kJ/mol - -analytic 9.6402e+000 -6.9301e-003 6.5270e+004 -1.0461e+001 1.1084e+003 + -analytic 9.6402e+0 -6.9301e-3 6.527e+4 -1.0461e+1 1.1084e+3 # -Range: 0-200 Am(g) - Am +3.0000 H+ +0.7500 O2 = + 1.0000 Am+++ + 1.5000 H2O - log_k 211.7865 - -delta_H -1320.16 kJ/mol # Calculated enthalpy of reaction Am(g) + Am + 3 H+ + 0.75 O2 = Am+3 + 1.5 H2O + log_k 211.7865 + -delta_H -1320.16 kJ/mol # Calculated enthalpy of reaction Am(g) # Enthalpy of formation: 283.8 kJ/mol - -analytic -1.4236e+001 -8.7560e-003 6.8166e+004 0.0000e+000 0.0000e+000 + -analytic -1.4236e+1 -8.756e-3 6.8166e+4 0e+0 0e+0 # -Range: 0-300 AmF3(g) - AmF3 = + 1.0000 Am+++ + 3.0000 F- - log_k 49.8631 - -delta_H -455.843 kJ/mol # Calculated enthalpy of reaction AmF3(g) + AmF3 = Am+3 + 3 F- + log_k 49.8631 + -delta_H -455.843 kJ/mol # Calculated enthalpy of reaction AmF3(g) # Enthalpy of formation: -1166.9 kJ/mol - -analytic -4.7209e+001 -3.6440e-002 2.2278e+004 1.3418e+001 3.7833e+002 + -analytic -4.7209e+1 -3.644e-2 2.2278e+4 1.3418e+1 3.7833e+2 # -Range: 0-200 Ar(g) - Ar = + 1.0000 Ar - log_k -2.8587 - -delta_H -12.0081 kJ/mol # Calculated enthalpy of reaction Ar(g) + Ar = Ar + log_k -2.8587 + -delta_H -12.0081 kJ/mol # Calculated enthalpy of reaction Ar(g) # Enthalpy of formation: 0 kcal/mol - -analytic -7.4387e+000 7.8991e-003 0.0000e+000 0.0000e+000 1.9830e+005 + -analytic -7.4387e+0 7.8991e-3 0e+0 0e+0 1.983e+5 # -Range: 0-300 B(g) - B +1.5000 H2O +0.7500 O2 = + 1.0000 B(OH)3 - log_k 200.8430 - -delta_H -1201.68 kJ/mol # Calculated enthalpy of reaction B(g) + B + 1.5 H2O + 0.75 O2 = B(OH)3 + log_k 200.843 + -delta_H -1201.68 kJ/mol # Calculated enthalpy of reaction B(g) # Enthalpy of formation: 565 kJ/mol - -analytic 1.0834e+002 1.0606e-002 5.8150e+004 -4.2720e+001 9.8743e+002 + -analytic 1.0834e+2 1.0606e-2 5.815e+4 -4.272e+1 9.8743e+2 # -Range: 0-200 BF3(g) - BF3 +3.0000 H2O = + 1.0000 B(OH)3 + 3.0000 F- + 3.0000 H+ - log_k -2.9664 - -delta_H -87.0627 kJ/mol # Calculated enthalpy of reaction BF3(g) + BF3 + 3 H2O = B(OH)3 + 3 F- + 3 H+ + log_k -2.9664 + -delta_H -87.0627 kJ/mol # Calculated enthalpy of reaction BF3(g) # Enthalpy of formation: -1136 kJ/mol - -analytic 5.2848e+001 -2.4617e-002 -1.8159e+002 -1.9350e+001 -3.1018e+000 + -analytic 5.2848e+1 -2.4617e-2 -1.8159e+2 -1.935e+1 -3.1018e+0 # -Range: 0-200 Be(g) - Be +2.0000 H+ +0.5000 O2 = + 1.0000 Be++ + 1.0000 H2O - log_k 361.9343 - -delta_H 0 # Not possible to calculate enthalpy of reaction Be(g) + Be + 2 H+ + 0.5 O2 = Be+2 + H2O + log_k 361.9343 + -delta_H 0 # Not possible to calculate enthalpy of reaction Be(g) # Enthalpy of formation: 0 kcal/mol Br2(g) - Br2 +1.0000 H2O = + 0.5000 O2 + 2.0000 Br- + 2.0000 H+ - log_k -5.9979 - -delta_H 5.85481 kJ/mol # Calculated enthalpy of reaction Br2(g) + Br2 + H2O = 0.5 O2 + 2 Br- + 2 H+ + log_k -5.9979 + -delta_H 5.85481 kJ/mol # Calculated enthalpy of reaction Br2(g) # Enthalpy of formation: 30.91 kJ/mol - -analytic -3.2403e+000 -1.7609e-002 -1.4941e+003 3.0300e+000 -2.5370e+001 + -analytic -3.2403e+0 -1.7609e-2 -1.4941e+3 3.03e+0 -2.537e+1 # -Range: 0-200 C(g) - C +1.0000 H2O +1.0000 O2 = + 1.0000 H+ + 1.0000 HCO3- - log_k 181.7723 - -delta_H -1108.64 kJ/mol # Calculated enthalpy of reaction C(g) + C + H2O + O2 = H+ + HCO3- + log_k 181.7723 + -delta_H -1108.64 kJ/mol # Calculated enthalpy of reaction C(g) # Enthalpy of formation: 716.68 kJ/mol - -analytic 1.0485e+002 1.7907e-003 5.2768e+004 -4.0661e+001 8.9605e+002 + -analytic 1.0485e+2 1.7907e-3 5.2768e+4 -4.0661e+1 8.9605e+2 # -Range: 0-200 Ethylene(g) - Ethylene = + 1.0000 Ethylene - log_k -2.3236 - -delta_H -16.4431 kJ/mol # Calculated enthalpy of reaction Ethylene(g) + Ethylene = Ethylene + log_k -2.3236 + -delta_H -16.4431 kJ/mol # Calculated enthalpy of reaction Ethylene(g) # Enthalpy of formation: 12.5 kcal/mol - -analytic -7.5368e+000 8.4676e-003 0.0000e+000 0.0000e+000 2.3971e+005 + -analytic -7.5368e+0 8.4676e-3 0e+0 0e+0 2.3971e+5 # -Range: 0-300 CH4(g) - CH4 = + 1.0000 CH4 - log_k -2.8502 - -delta_H -13.0959 kJ/mol # Calculated enthalpy of reaction CH4(g) + CH4 = CH4 + log_k -2.8502 + -delta_H -13.0959 kJ/mol # Calculated enthalpy of reaction CH4(g) # Enthalpy of formation: -17.88 kcal/mol - -analytic -2.4027e+001 4.7146e-003 3.7227e+002 6.4264e+000 2.3362e+005 + -analytic -2.4027e+1 4.7146e-3 3.7227e+2 6.4264e+0 2.3362e+5 # -Range: 0-300 CO(g) -# CO +1.0000 H2O +0.5000 O2 = + 1.0000 H+ + 1.0000 HCO3- +# CO +1.0000 H2O +0.5000 O2 = + 1.0000 H+ + 1.0000 HCO3- # log_k 38.6934 # -analytic -6.1217e+001 -3.1388e-002 1.5283e+004 2.3433e+001 2.3850e+002 # -Range: 0-300 CO = CO - log_k -3.0068 - -delta_H -10.4349 kJ/mol # Calculated enthalpy of reaction CO(g) + log_k -3.0068 + -delta_H -10.4349 kJ/mol # Calculated enthalpy of reaction CO(g) # Enthalpy of formation: -26.416 kcal/mol - -analytic -8.0849e+000 9.2114e-003 0.0000e+000 0.0000e+000 2.0813e+005 + -analytic -8.0849e+0 9.2114e-3 0e+0 0e+0 2.0813e+5 # -Range: 0-300 CO2(g) - CO2 +1.0000 H2O = + 1.0000 H+ + 1.0000 HCO3- - log_k -7.8136 - -delta_H -10.5855 kJ/mol # Calculated enthalpy of reaction CO2(g) + CO2 + H2O = H+ + HCO3- + log_k -7.8136 + -delta_H -10.5855 kJ/mol # Calculated enthalpy of reaction CO2(g) # Enthalpy of formation: -94.051 kcal/mol - -analytic -8.5938e+001 -3.0431e-002 2.0702e+003 3.2427e+001 3.2328e+001 + -analytic -8.5938e+1 -3.0431e-2 2.0702e+3 3.2427e+1 3.2328e+1 # -Range: 0-300 Ca(g) - Ca +2.0000 H+ +0.5000 O2 = + 1.0000 Ca++ + 1.0000 H2O - log_k 165.0778 - -delta_H -1000.65 kJ/mol # Calculated enthalpy of reaction Ca(g) + Ca + 2 H+ + 0.5 O2 = Ca+2 + H2O + log_k 165.0778 + -delta_H -1000.65 kJ/mol # Calculated enthalpy of reaction Ca(g) # Enthalpy of formation: 177.8 kJ/mol - -analytic -7.3029e+000 -4.8208e-003 5.1822e+004 0.0000e+000 0.0000e+000 + -analytic -7.3029e+0 -4.8208e-3 5.1822e+4 0e+0 0e+0 # -Range: 0-200 Cd(g) - Cd +2.0000 H+ +0.5000 O2 = + 1.0000 Cd++ + 1.0000 H2O - log_k 70.1363 - -delta_H -467.469 kJ/mol # Calculated enthalpy of reaction Cd(g) + Cd + 2 H+ + 0.5 O2 = Cd+2 + H2O + log_k 70.1363 + -delta_H -467.469 kJ/mol # Calculated enthalpy of reaction Cd(g) # Enthalpy of formation: 111.8 kJ/mol - -analytic -9.8665e+000 -3.0921e-003 2.4126e+004 0.0000e+000 0.0000e+000 + -analytic -9.8665e+0 -3.0921e-3 2.4126e+4 0e+0 0e+0 # -Range: 0-200 Cl2(g) - Cl2 +1.0000 H2O = + 0.5000 O2 + 2.0000 Cl- + 2.0000 H+ - log_k 3.0004 - -delta_H -54.3878 kJ/mol # Calculated enthalpy of reaction Cl2(g) + Cl2 + H2O = 0.5 O2 + 2 Cl- + 2 H+ + log_k 3.0004 + -delta_H -54.3878 kJ/mol # Calculated enthalpy of reaction Cl2(g) # Enthalpy of formation: 0 kJ/mol - -analytic -1.9456e+001 -2.1491e-002 2.0652e+003 8.8629e+000 3.5076e+001 + -analytic -1.9456e+1 -2.1491e-2 2.0652e+3 8.8629e+0 3.5076e+1 # -Range: 0-200 Cs(g) - Cs +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Cs+ - log_k 81.2805 - -delta_H -474.413 kJ/mol # Calculated enthalpy of reaction Cs(g) + Cs + H+ + 0.25 O2 = 0.5 H2O + Cs+ + log_k 81.2805 + -delta_H -474.413 kJ/mol # Calculated enthalpy of reaction Cs(g) # Enthalpy of formation: 76.5 kJ/mol - -analytic 4.1676e+001 9.1952e-003 2.3401e+004 -1.6824e+001 3.9736e+002 + -analytic 4.1676e+1 9.1952e-3 2.3401e+4 -1.6824e+1 3.9736e+2 # -Range: 0-200 Cu(g) - Cu +2.0000 H+ +0.5000 O2 = + 1.0000 Cu++ + 1.0000 H2O - log_k 83.6618 - -delta_H -551.483 kJ/mol # Calculated enthalpy of reaction Cu(g) + Cu + 2 H+ + 0.5 O2 = Cu+2 + H2O + log_k 83.6618 + -delta_H -551.483 kJ/mol # Calculated enthalpy of reaction Cu(g) # Enthalpy of formation: 337.4 kJ/mol - -analytic -1.1249e+001 -2.7585e-003 2.8541e+004 0.0000e+000 0.0000e+000 + -analytic -1.1249e+1 -2.7585e-3 2.8541e+4 0e+0 0e+0 # -Range: 0-200 F2(g) - F2 +1.0000 H2O = + 0.5000 O2 + 2.0000 F- + 2.0000 H+ - log_k 55.7197 - -delta_H -390.924 kJ/mol # Calculated enthalpy of reaction F2(g) + F2 + H2O = 0.5 O2 + 2 F- + 2 H+ + log_k 55.7197 + -delta_H -390.924 kJ/mol # Calculated enthalpy of reaction F2(g) # Enthalpy of formation: 0 kJ/mol - -analytic -3.2664e+001 -2.1035e-002 1.9974e+004 1.1174e+001 3.3920e+002 + -analytic -3.2664e+1 -2.1035e-2 1.9974e+4 1.1174e+1 3.392e+2 # -Range: 0-200 H2(g) -# H2 +0.5000 O2 = + 1.0000 H2O +# H2 +0.5000 O2 = + 1.0000 H2O # log_k 43.0016 # -analytic -1.1609e+001 -3.7580e-003 1.5068e+004 2.4198e+000 -7.0997e+004 # -Range: 0-300 H2 = H2 - log_k -3.1050 - -delta_H -4.184 kJ/mol # Calculated enthalpy of reaction H2(g) + log_k -3.105 + -delta_H -4.184 kJ/mol # Calculated enthalpy of reaction H2(g) # Enthalpy of formation: 0 kcal/mol - -analytic -9.3114e+000 4.6473e-003 -4.9335e+001 1.4341e+000 1.2815e+005 + -analytic -9.3114e+0 4.6473e-3 -4.9335e+1 1.4341e+0 1.2815e+5 # -Range: 0-300 H2O(g) - H2O = + 1.0000 H2O - log_k 1.5854 - -delta_H -43.4383 kJ/mol # Calculated enthalpy of reaction H2O(g) + H2O = H2O + log_k 1.5854 + -delta_H -43.4383 kJ/mol # Calculated enthalpy of reaction H2O(g) # Enthalpy of formation: -57.935 kcal/mol - -analytic -1.4782e+001 1.0752e-003 2.7519e+003 2.7548e+000 4.2945e+001 + -analytic -1.4782e+1 1.0752e-3 2.7519e+3 2.7548e+0 4.2945e+1 # -Range: 0-300 H2S(g) - H2S = + 1.0000 H+ + 1.0000 HS- - log_k -7.9759 - -delta_H 4.5229 kJ/mol # Calculated enthalpy of reaction H2S(g) + H2S = H+ + HS- + log_k -7.9759 + -delta_H 4.5229 kJ/mol # Calculated enthalpy of reaction H2S(g) # Enthalpy of formation: -4.931 kcal/mol - -analytic -9.7354e+001 -3.1576e-002 1.8285e+003 3.7440e+001 2.8560e+001 + -analytic -9.7354e+1 -3.1576e-2 1.8285e+3 3.744e+1 2.856e+1 # -Range: 0-300 HBr(g) - HBr = + 1.0000 Br- + 1.0000 H+ - log_k 8.8815 - -delta_H -85.2134 kJ/mol # Calculated enthalpy of reaction HBr(g) + HBr = Br- + H+ + log_k 8.8815 + -delta_H -85.2134 kJ/mol # Calculated enthalpy of reaction HBr(g) # Enthalpy of formation: -36.29 kJ/mol - -analytic 8.1303e+000 -6.6641e-003 3.3951e+003 -3.4973e+000 5.7651e+001 + -analytic 8.1303e+0 -6.6641e-3 3.3951e+3 -3.4973e+0 5.7651e+1 # -Range: 0-200 HCl(g) - HCl = + 1.0000 Cl- + 1.0000 H+ - log_k 6.3055 - -delta_H -74.7697 kJ/mol # Calculated enthalpy of reaction HCl(g) + HCl = Cl- + H+ + log_k 6.3055 + -delta_H -74.7697 kJ/mol # Calculated enthalpy of reaction HCl(g) # Enthalpy of formation: -92.31 kJ/mol - -analytic -2.8144e-001 -8.6776e-003 3.0668e+003 -4.5105e-001 5.2078e+001 + -analytic -2.8144e-1 -8.6776e-3 3.0668e+3 -4.5105e-1 5.2078e+1 # -Range: 0-200 HF(g) - HF = + 1.0000 F- + 1.0000 H+ - log_k 1.1126 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hf(g) + HF = F- + H+ + log_k 1.1126 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hf(g) # Enthalpy of formation: 619.234 kJ/mol - -analytic -8.5783e+000 -8.8440e-003 2.6279e+003 1.4180e+000 4.4628e+001 + -analytic -8.5783e+0 -8.844e-3 2.6279e+3 1.418e+0 4.4628e+1 # -Range: 0-200 HI(g) - HI = + 1.0000 H+ + 1.0000 I- - log_k 9.3944 - -delta_H -83.4024 kJ/mol # Calculated enthalpy of reaction HI(g) + HI = H+ + I- + log_k 9.3944 + -delta_H -83.4024 kJ/mol # Calculated enthalpy of reaction HI(g) # Enthalpy of formation: 26.5 kJ/mol - -analytic 5.8250e-003 -8.7146e-003 3.5728e+003 0.0000e+000 0.0000e+000 + -analytic 5.825e-3 -8.7146e-3 3.5728e+3 0e+0 0e+0 # -Range: 0-200 He(g) - He = + 1.0000 He - log_k -3.4143 - -delta_H -0.6276 kJ/mol # Calculated enthalpy of reaction He(g) + He = He + log_k -3.4143 + -delta_H -0.6276 kJ/mol # Calculated enthalpy of reaction He(g) # Enthalpy of formation: 0 kcal/mol - -analytic -1.3402e+001 4.6358e-003 1.8295e+002 2.8070e+000 9.3373e+004 + -analytic -1.3402e+1 4.6358e-3 1.8295e+2 2.807e+0 9.3373e+4 # -Range: 0-300 Hf(g) - Hf +4.0000 H+ +1.0000 O2 = + 1.0000 Hf++++ + 2.0000 H2O - log_k 290.9782 - -delta_H 0 # Not possible to calculate enthalpy of reaction Hf(g) + Hf + 4 H+ + O2 = Hf+4 + 2 H2O + log_k 290.9782 + -delta_H 0 # Not possible to calculate enthalpy of reaction Hf(g) # Enthalpy of formation: 0 kJ/mol Hg(g) - Hg +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Hg++ - log_k 19.7290 - -delta_H -170.988 kJ/mol # Calculated enthalpy of reaction Hg(g) + Hg + 2 H+ + 0.5 O2 = H2O + Hg+2 + log_k 19.729 + -delta_H -170.988 kJ/mol # Calculated enthalpy of reaction Hg(g) # Enthalpy of formation: 61.38 kJ/mol - -analytic -1.6232e+001 -3.2863e-003 8.9831e+003 2.7505e+000 1.5255e+002 + -analytic -1.6232e+1 -3.2863e-3 8.9831e+3 2.7505e+0 1.5255e+2 # -Range: 0-200 I2(g) - I2 +1.0000 H2O = + 0.5000 O2 + 2.0000 H+ + 2.0000 I- - log_k -21.4231 - -delta_H 103.547 kJ/mol # Calculated enthalpy of reaction I2(g) + I2 + H2O = 0.5 O2 + 2 H+ + 2 I- + log_k -21.4231 + -delta_H 103.547 kJ/mol # Calculated enthalpy of reaction I2(g) # Enthalpy of formation: 62.42 kJ/mol - -analytic -2.0271e+001 -2.1890e-002 -6.0267e+003 1.0339e+001 -1.0233e+002 + -analytic -2.0271e+1 -2.189e-2 -6.0267e+3 1.0339e+1 -1.0233e+2 # -Range: 0-200 K(g) - K +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 K+ - log_k 81.5815 - -delta_H -481.055 kJ/mol # Calculated enthalpy of reaction K(g) + K + H+ + 0.25 O2 = 0.5 H2O + K+ + log_k 81.5815 + -delta_H -481.055 kJ/mol # Calculated enthalpy of reaction K(g) # Enthalpy of formation: 89 kJ/mol - -analytic 1.0278e+001 3.0700e-003 2.4729e+004 -5.0763e+000 4.1994e+002 + -analytic 1.0278e+1 3.07e-3 2.4729e+4 -5.0763e+0 4.1994e+2 # -Range: 0-200 Kr(g) - Kr = + 1.0000 Kr - log_k -2.6051 - -delta_H -15.2716 kJ/mol # Calculated enthalpy of reaction Kr(g) + Kr = Kr + log_k -2.6051 + -delta_H -15.2716 kJ/mol # Calculated enthalpy of reaction Kr(g) # Enthalpy of formation: 0 kcal/mol - -analytic -2.1251e+001 4.8308e-003 4.2971e+002 5.3591e+000 2.2304e+005 + -analytic -2.1251e+1 4.8308e-3 4.2971e+2 5.3591e+0 2.2304e+5 # -Range: 0-300 Li(g) - Li +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Li+ - log_k 94.9423 - -delta_H -577.639 kJ/mol # Calculated enthalpy of reaction Li(g) + Li + H+ + 0.25 O2 = 0.5 H2O + Li+ + log_k 94.9423 + -delta_H -577.639 kJ/mol # Calculated enthalpy of reaction Li(g) # Enthalpy of formation: 159.3 kJ/mol - -analytic -2.5692e+001 -1.4385e-003 3.0936e+004 6.9899e+000 5.2535e+002 + -analytic -2.5692e+1 -1.4385e-3 3.0936e+4 6.9899e+0 5.2535e+2 # -Range: 0-200 Mg(g) - Mg +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Mg++ - log_k 142.2494 - -delta_H -892.831 kJ/mol # Calculated enthalpy of reaction Mg(g) + Mg + 2 H+ + 0.5 O2 = H2O + Mg+2 + log_k 142.2494 + -delta_H -892.831 kJ/mol # Calculated enthalpy of reaction Mg(g) # Enthalpy of formation: 147.1 kJ/mol - -analytic -1.3470e+000 -7.7402e-004 4.5992e+004 -4.2207e+000 7.8101e+002 + -analytic -1.347e+0 -7.7402e-4 4.5992e+4 -4.2207e+0 7.8101e+2 # -Range: 0-200 N2(g) -# N2 +3.0000 H2O = + 1.5000 O2 + 2.0000 NH3 +# N2 +3.0000 H2O = + 1.5000 O2 + 2.0000 NH3 # log_k -119.6473 # -analytic 2.4168e+001 1.6489e-002 -3.6869e+004 -1.1181e+001 2.3178e+005 # -Range: 0-300 N2 = N2 - log_k -3.1864 - -delta_H -10.4391 kJ/mol # Calculated enthalpy of reaction N2(g) + log_k -3.1864 + -delta_H -10.4391 kJ/mol # Calculated enthalpy of reaction N2(g) # Enthalpy of formation: 0 kcal/mol - -analytic -7.6452e+000 7.9606e-003 0.0000e+000 0.0000e+000 1.8604e+005 + -analytic -7.6452e+0 7.9606e-3 0e+0 0e+0 1.8604e+5 # -Range: 0-300 NH3(g) - NH3 = + 1.0000 NH3 - log_k 1.7966 - -delta_H -35.2251 kJ/mol # Calculated enthalpy of reaction NH3(g) + NH3 = NH3 + log_k 1.7966 + -delta_H -35.2251 kJ/mol # Calculated enthalpy of reaction NH3(g) # Enthalpy of formation: -11.021 kcal/mol - -analytic -1.8758e+001 3.3670e-004 2.5113e+003 4.8619e+000 3.9192e+001 + -analytic -1.8758e+1 3.367e-4 2.5113e+3 4.8619e+0 3.9192e+1 # -Range: 0-300 NO(g) - NO +0.5000 H2O +0.2500 O2 = + 1.0000 H+ + 1.0000 NO2- - log_k 0.7554 - -delta_H -48.8884 kJ/mol # Calculated enthalpy of reaction NO(g) + NO + 0.5 H2O + 0.25 O2 = H+ + NO2- + log_k 0.7554 + -delta_H -48.8884 kJ/mol # Calculated enthalpy of reaction NO(g) # Enthalpy of formation: 90.241 kJ/mol - -analytic 8.2147e+000 -1.2708e-001 -6.0593e+003 2.0504e+001 -9.4551e+001 + -analytic 8.2147e+0 -1.2708e-1 -6.0593e+3 2.0504e+1 -9.4551e+1 # -Range: 0-300 NO2(g) - NO2 +0.5000 H2O +0.2500 O2 = + 1.0000 H+ + 1.0000 NO3- - log_k 8.3673 - -delta_H -94.0124 kJ/mol # Calculated enthalpy of reaction NO2(g) + NO2 + 0.5 H2O + 0.25 O2 = H+ + NO3- + log_k 8.3673 + -delta_H -94.0124 kJ/mol # Calculated enthalpy of reaction NO2(g) # Enthalpy of formation: 33.154 kJ/mol - -analytic 9.4389e+001 -2.7511e-001 -1.6783e+004 2.1127e+001 -2.6191e+002 + -analytic 9.4389e+1 -2.7511e-1 -1.6783e+4 2.1127e+1 -2.6191e+2 # -Range: 0-300 Na(g) - Na +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Na+ - log_k 80.8640 - -delta_H -487.685 kJ/mol # Calculated enthalpy of reaction Na(g) + Na + H+ + 0.25 O2 = 0.5 H2O + Na+ + log_k 80.864 + -delta_H -487.685 kJ/mol # Calculated enthalpy of reaction Na(g) # Enthalpy of formation: 107.5 kJ/mol - -analytic -6.0156e+000 2.4712e-003 2.5682e+004 0.0000e+000 0.0000e+000 + -analytic -6.0156e+0 2.4712e-3 2.5682e+4 0e+0 0e+0 # -Range: 0-200 Ne(g) - Ne = + 1.0000 Ne - log_k -3.3462 - -delta_H -3.64008 kJ/mol # Calculated enthalpy of reaction Ne(g) + Ne = Ne + log_k -3.3462 + -delta_H -3.64008 kJ/mol # Calculated enthalpy of reaction Ne(g) # Enthalpy of formation: 0 kcal/mol - -analytic -6.5169e+000 6.3991e-003 0.0000e+000 0.0000e+000 1.1271e+005 + -analytic -6.5169e+0 6.3991e-3 0e+0 0e+0 1.1271e+5 # -Range: 0-300 O2(g) - O2 = + 1.0000 O2 - log_k -2.8983 - -delta_H -12.1336 kJ/mol # Calculated enthalpy of reaction O2(g) + O2 = O2 + log_k -2.8983 + -delta_H -12.1336 kJ/mol # Calculated enthalpy of reaction O2(g) # Enthalpy of formation: 0 kcal/mol - -analytic -7.5001e+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005 + -analytic -7.5001e+0 7.8981e-3 0e+0 0e+0 2.0027e+5 # -Range: 0-300 Pb(g) - Pb +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Pb++ - log_k 75.6090 - -delta_H -474.051 kJ/mol # Calculated enthalpy of reaction Pb(g) + Pb + 2 H+ + 0.5 O2 = H2O + Pb+2 + log_k 75.609 + -delta_H -474.051 kJ/mol # Calculated enthalpy of reaction Pb(g) # Enthalpy of formation: 195.2 kJ/mol - -analytic 2.5752e+001 2.1307e-003 2.3397e+004 -1.1825e+001 3.9730e+002 + -analytic 2.5752e+1 2.1307e-3 2.3397e+4 -1.1825e+1 3.973e+2 # -Range: 0-200 Rb(g) - Rb +1.0000 H+ +0.2500 O2 = + 0.5000 H2O + 1.0000 Rb+ - log_k 80.4976 - -delta_H -471.909 kJ/mol # Calculated enthalpy of reaction Rb(g) + Rb + H+ + 0.25 O2 = 0.5 H2O + Rb+ + log_k 80.4976 + -delta_H -471.909 kJ/mol # Calculated enthalpy of reaction Rb(g) # Enthalpy of formation: 80.9 kJ/mol - -analytic 2.6839e+001 5.9775e-003 2.3720e+004 -1.1189e+001 4.0279e+002 + -analytic 2.6839e+1 5.9775e-3 2.372e+4 -1.1189e+1 4.0279e+2 # -Range: 0-200 Rn(g) - Rn = + 1.0000 Rn - log_k -2.0451 - -delta_H -20.92 kJ/mol # Calculated enthalpy of reaction Rn(g) + Rn = Rn + log_k -2.0451 + -delta_H -20.92 kJ/mol # Calculated enthalpy of reaction Rn(g) # Enthalpy of formation: 0 kcal/mol - -analytic -3.0258e+001 4.9893e-003 1.4118e+002 8.8798e+000 3.8095e+005 + -analytic -3.0258e+1 4.9893e-3 1.4118e+2 8.8798e+0 3.8095e+5 # -Range: 0-300 RuCl3(g) - RuCl3 = + 1.0000 Ru+++ + 3.0000 Cl- - log_k 41.5503 - -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl3(g) + RuCl3 = Ru+3 + 3 Cl- + log_k 41.5503 + -delta_H 0 # Not possible to calculate enthalpy of reaction RuCl3(g) # Enthalpy of formation: 16.84 kJ/mol RuO3(g) - RuO3 +1.0000 H2O = + 1.0000 RuO4-- + 2.0000 H+ - log_k 2.3859 - -delta_H -100.369 kJ/mol # Calculated enthalpy of reaction RuO3(g) + RuO3 + H2O = RuO4-2 + 2 H+ + log_k 2.3859 + -delta_H -100.369 kJ/mol # Calculated enthalpy of reaction RuO3(g) # Enthalpy of formation: -70.868 kJ/mol - -analytic 1.1106e+002 1.7191e-002 6.8526e+002 -4.6922e+001 1.1598e+001 + -analytic 1.1106e+2 1.7191e-2 6.8526e+2 -4.6922e+1 1.1598e+1 # -Range: 0-200 S2(g) - S2 +2.0000 H2O = + 0.5000 SO4-- + 1.5000 HS- + 2.5000 H+ - log_k -7.1449 - -delta_H -35.656 kJ/mol # Calculated enthalpy of reaction S2(g) + S2 + 2 H2O = 0.5 SO4-2 + 1.5 HS- + 2.5 H+ + log_k -7.1449 + -delta_H -35.656 kJ/mol # Calculated enthalpy of reaction S2(g) # Enthalpy of formation: 30.681 kcal/mol - -analytic -1.8815e+002 -7.7069e-002 4.8816e+003 7.5802e+001 7.6228e+001 + -analytic -1.8815e+2 -7.7069e-2 4.8816e+3 7.5802e+1 7.6228e+1 # -Range: 0-300 SO2(g) SO2 = SO2 - log_k 0.1700 - -delta_H 0 # Not possible to calculate enthalpy of reaction SO2(g) + log_k 0.17 + -delta_H 0 # Not possible to calculate enthalpy of reaction SO2(g) # Enthalpy of formation: 0 kcal/mol - -analytic -2.0205e+001 2.8861e-003 1.4862e+003 5.2958e+000 1.2721e+005 + -analytic -2.0205e+1 2.8861e-3 1.4862e+3 5.2958e+0 1.2721e+5 # -Range: 0-300 Si(g) - Si +1.0000 O2 = + 1.0000 SiO2 - log_k 219.9509 - -delta_H -1315.57 kJ/mol # Calculated enthalpy of reaction Si(g) + Si + O2 = SiO2 + log_k 219.9509 + -delta_H -1315.57 kJ/mol # Calculated enthalpy of reaction Si(g) # Enthalpy of formation: 450 kJ/mol - -analytic 4.1998e+002 8.0113e-002 5.4468e+004 -1.6433e+002 9.2480e+002 + -analytic 4.1998e+2 8.0113e-2 5.4468e+4 -1.6433e+2 9.248e+2 # -Range: 0-200 SiF4(g) - SiF4 +2.0000 H2O = + 1.0000 SiO2 + 4.0000 F- + 4.0000 H+ - log_k -15.1931 - -delta_H -32.4123 kJ/mol # Calculated enthalpy of reaction SiF4(g) + SiF4 + 2 H2O = SiO2 + 4 F- + 4 H+ + log_k -15.1931 + -delta_H -32.4123 kJ/mol # Calculated enthalpy of reaction SiF4(g) # Enthalpy of formation: -1615 kJ/mol - -analytic 3.4941e+002 3.3668e-002 -1.2780e+004 -1.3410e+002 -2.1714e+002 + -analytic 3.4941e+2 3.3668e-2 -1.278e+4 -1.341e+2 -2.1714e+2 # -Range: 0-200 Sn(g) - Sn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Sn++ - log_k 94.5019 - -delta_H -589.758 kJ/mol # Calculated enthalpy of reaction Sn(g) + Sn + 2 H+ + 0.5 O2 = H2O + Sn+2 + log_k 94.5019 + -delta_H -589.758 kJ/mol # Calculated enthalpy of reaction Sn(g) # Enthalpy of formation: 301.2 kJ/mol - -analytic 1.4875e+001 -5.6877e-005 2.9728e+004 -8.1131e+000 5.0482e+002 + -analytic 1.4875e+1 -5.6877e-5 2.9728e+4 -8.1131e+0 5.0482e+2 # -Range: 0-200 Tc2O7(g) - Tc2O7 +1.0000 H2O = + 2.0000 H+ + 2.0000 TcO4- - log_k 21.3593 - -delta_H -158.131 kJ/mol # Calculated enthalpy of reaction Tc2O7(g) + Tc2O7 + H2O = 2 H+ + 2 TcO4- + log_k 21.3593 + -delta_H -158.131 kJ/mol # Calculated enthalpy of reaction Tc2O7(g) # Enthalpy of formation: -988.569 kJ/mol - -analytic 7.4140e+001 1.5668e-002 5.6360e+003 -3.0860e+001 9.5682e+001 + -analytic 7.414e+1 1.5668e-2 5.636e+3 -3.086e+1 9.5682e+1 # -Range: 0-200 Th(g) - Th +4.0000 H+ +1.0000 O2 = + 1.0000 Th++++ + 2.0000 H2O - log_k 307.8413 - -delta_H -1930.56 kJ/mol # Calculated enthalpy of reaction Th(g) + Th + 4 H+ + O2 = Th+4 + 2 H2O + log_k 307.8413 + -delta_H -1930.56 kJ/mol # Calculated enthalpy of reaction Th(g) # Enthalpy of formation: 602 kJ/mol - -analytic 1.8496e+001 2.7318e-003 9.8807e+004 -1.7332e+001 1.6779e+003 + -analytic 1.8496e+1 2.7318e-3 9.8807e+4 -1.7332e+1 1.6779e+3 # -Range: 0-200 Ti(g) - Ti +2.0000 H2O +1.0000 O2 = + 1.0000 Ti(OH)4 - log_k 224.3510 - -delta_H 0 # Not possible to calculate enthalpy of reaction Ti(g) + Ti + 2 H2O + O2 = Ti(OH)4 + log_k 224.351 + -delta_H 0 # Not possible to calculate enthalpy of reaction Ti(g) # Enthalpy of formation: 473 kJ/mol TiBr4(g) - TiBr4 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 Br- + 4.0000 H+ - log_k 36.6695 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiBr4(g) + TiBr4 + 4 H2O = Ti(OH)4 + 4 Br- + 4 H+ + log_k 36.6695 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiBr4(g) # Enthalpy of formation: -549.339 kJ/mol TiCl4(g) - TiCl4 +4.0000 H2O = + 1.0000 Ti(OH)4 + 4.0000 Cl- + 4.0000 H+ - log_k 28.0518 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiCl4(g) + TiCl4 + 4 H2O = Ti(OH)4 + 4 Cl- + 4 H+ + log_k 28.0518 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiCl4(g) # Enthalpy of formation: -763.2 kJ/mol TiO(g) - TiO +2.0000 H2O +0.5000 O2 = + 1.0000 Ti(OH)4 - log_k 145.5711 - -delta_H 0 # Not possible to calculate enthalpy of reaction TiO(g) + TiO + 2 H2O + 0.5 O2 = Ti(OH)4 + log_k 145.5711 + -delta_H 0 # Not possible to calculate enthalpy of reaction TiO(g) # Enthalpy of formation: 17.144 kJ/mol U(g) - U +2.0000 H+ +1.5000 O2 = + 1.0000 H2O + 1.0000 UO2++ - log_k 298.3441 - -delta_H -1819.64 kJ/mol # Calculated enthalpy of reaction U(g) + U + 2 H+ + 1.5 O2 = H2O + UO2+2 + log_k 298.3441 + -delta_H -1819.64 kJ/mol # Calculated enthalpy of reaction U(g) # Enthalpy of formation: 533 kJ/mol - -analytic 3.7536e+001 -6.3804e-003 9.2048e+004 -1.8614e+001 1.4363e+003 + -analytic 3.7536e+1 -6.3804e-3 9.2048e+4 -1.8614e+1 1.4363e+3 # -Range: 0-300 U2Cl10(g) - U2Cl10 +4.0000 H2O = + 2.0000 UO2+ + 8.0000 H+ + 10.0000 Cl- - log_k 82.7621 - -delta_H -609.798 kJ/mol # Calculated enthalpy of reaction U2Cl10(g) + U2Cl10 + 4 H2O = 2 UO2+ + 8 H+ + 10 Cl- + log_k 82.7621 + -delta_H -609.798 kJ/mol # Calculated enthalpy of reaction U2Cl10(g) # Enthalpy of formation: -1967.9 kJ/mol - -analytic -7.5513e+002 -3.0070e-001 4.5824e+004 3.1267e+002 7.1526e+002 + -analytic -7.5513e+2 -3.007e-1 4.5824e+4 3.1267e+2 7.1526e+2 # -Range: 0-300 U2Cl8(g) - U2Cl8 = + 2.0000 U++++ + 8.0000 Cl- - log_k 82.4059 - -delta_H -769.437 kJ/mol # Calculated enthalpy of reaction U2Cl8(g) + U2Cl8 = 2 U+4 + 8 Cl- + log_k 82.4059 + -delta_H -769.437 kJ/mol # Calculated enthalpy of reaction U2Cl8(g) # Enthalpy of formation: -1749.6 kJ/mol - -analytic -7.4441e+002 -2.6943e-001 5.4358e+004 2.9287e+002 8.4843e+002 + -analytic -7.4441e+2 -2.6943e-1 5.4358e+4 2.9287e+2 8.4843e+2 # -Range: 0-300 U2F10(g) - U2F10 +4.0000 H2O = + 2.0000 UO2+ + 8.0000 H+ + 10.0000 F- - log_k -12.2888 - -delta_H -239.377 kJ/mol # Calculated enthalpy of reaction U2F10(g) + U2F10 + 4 H2O = 2 UO2+ + 8 H+ + 10 F- + log_k -12.2888 + -delta_H -239.377 kJ/mol # Calculated enthalpy of reaction U2F10(g) # Enthalpy of formation: -4021 kJ/mol - -analytic -9.1542e+002 -3.2040e-001 3.1047e+004 3.6143e+002 4.8473e+002 + -analytic -9.1542e+2 -3.204e-1 3.1047e+4 3.6143e+2 4.8473e+2 # -Range: 0-300 UBr(g) - UBr +1.0000 O2 = + 1.0000 Br- + 1.0000 UO2+ - log_k 224.8412 - -delta_H -1381.5 kJ/mol # Calculated enthalpy of reaction UBr(g) + UBr + O2 = Br- + UO2+ + log_k 224.8412 + -delta_H -1381.5 kJ/mol # Calculated enthalpy of reaction UBr(g) # Enthalpy of formation: 247 kJ/mol - -analytic -3.1193e+002 -6.3059e-002 8.7633e+004 1.1032e+002 -1.0104e+006 + -analytic -3.1193e+2 -6.3059e-2 8.7633e+4 1.1032e+2 -1.0104e+6 # -Range: 0-300 UBr2(g) - UBr2 +1.0000 O2 = + 1.0000 UO2++ + 2.0000 Br- - log_k 192.6278 - -delta_H -1218.87 kJ/mol # Calculated enthalpy of reaction UBr2(g) + UBr2 + O2 = UO2+2 + 2 Br- + log_k 192.6278 + -delta_H -1218.87 kJ/mol # Calculated enthalpy of reaction UBr2(g) # Enthalpy of formation: -31 kJ/mol - -analytic -1.2277e+002 -6.4613e-002 6.4196e+004 4.8209e+001 1.0018e+003 + -analytic -1.2277e+2 -6.4613e-2 6.4196e+4 4.8209e+1 1.0018e+3 # -Range: 0-300 UBr3(g) - UBr3 = + 1.0000 U+++ + 3.0000 Br- - log_k 67.8918 - -delta_H -489.61 kJ/mol # Calculated enthalpy of reaction UBr3(g) + UBr3 = U+3 + 3 Br- + log_k 67.8918 + -delta_H -489.61 kJ/mol # Calculated enthalpy of reaction UBr3(g) # Enthalpy of formation: -364 kJ/mol - -analytic -2.5784e+002 -9.7583e-002 3.0225e+004 1.0240e+002 4.7171e+002 + -analytic -2.5784e+2 -9.7583e-2 3.0225e+4 1.024e+2 4.7171e+2 # -Range: 0-300 UBr4(g) - UBr4 = + 1.0000 U++++ + 4.0000 Br- - log_k 54.2926 - -delta_H -467.113 kJ/mol # Calculated enthalpy of reaction UBr4(g) + UBr4 = U+4 + 4 Br- + log_k 54.2926 + -delta_H -467.113 kJ/mol # Calculated enthalpy of reaction UBr4(g) # Enthalpy of formation: -610.1 kJ/mol - -analytic -3.5205e+002 -1.2867e-001 3.0898e+004 1.3781e+002 4.8223e+002 + -analytic -3.5205e+2 -1.2867e-1 3.0898e+4 1.3781e+2 4.8223e+2 # -Range: 0-300 UBr5(g) - UBr5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Br- - log_k 61.4272 - -delta_H -423.222 kJ/mol # Calculated enthalpy of reaction UBr5(g) + UBr5 + 2 H2O = UO2+ + 4 H+ + 5 Br- + log_k 61.4272 + -delta_H -423.222 kJ/mol # Calculated enthalpy of reaction UBr5(g) # Enthalpy of formation: -637.745 kJ/mol - -analytic -3.4693e+002 -1.4298e-001 2.8151e+004 1.4406e+002 4.3938e+002 + -analytic -3.4693e+2 -1.4298e-1 2.8151e+4 1.4406e+2 4.3938e+2 # -Range: 0-300 UCl(g) - UCl +1.0000 O2 = + 1.0000 Cl- + 1.0000 UO2+ - log_k 221.7887 - -delta_H -1368.27 kJ/mol # Calculated enthalpy of reaction UCl(g) + UCl + O2 = Cl- + UO2+ + log_k 221.7887 + -delta_H -1368.27 kJ/mol # Calculated enthalpy of reaction UCl(g) # Enthalpy of formation: 188.2 kJ/mol - -analytic -4.1941e+001 -2.7879e-002 7.0800e+004 1.3954e+001 1.1048e+003 + -analytic -4.1941e+1 -2.7879e-2 7.08e+4 1.3954e+1 1.1048e+3 # -Range: 0-300 UCl2(g) - UCl2 +1.0000 O2 = + 1.0000 UO2++ + 2.0000 Cl- - log_k 183.7912 - -delta_H -1178.03 kJ/mol # Calculated enthalpy of reaction UCl2(g) + UCl2 + O2 = UO2+2 + 2 Cl- + log_k 183.7912 + -delta_H -1178.03 kJ/mol # Calculated enthalpy of reaction UCl2(g) # Enthalpy of formation: -163 kJ/mol - -analytic -1.3677e+002 -6.7829e-002 6.2413e+004 5.3100e+001 9.7394e+002 + -analytic -1.3677e+2 -6.7829e-2 6.2413e+4 5.31e+1 9.7394e+2 # -Range: 0-300 UCl3(g) - UCl3 = + 1.0000 U+++ + 3.0000 Cl- - log_k 58.6335 - -delta_H -453.239 kJ/mol # Calculated enthalpy of reaction UCl3(g) + UCl3 = U+3 + 3 Cl- + log_k 58.6335 + -delta_H -453.239 kJ/mol # Calculated enthalpy of reaction UCl3(g) # Enthalpy of formation: -537.1 kJ/mol - -analytic -2.7942e+002 -1.0243e-001 2.8859e+004 1.0982e+002 4.5040e+002 + -analytic -2.7942e+2 -1.0243e-1 2.8859e+4 1.0982e+2 4.504e+2 # -Range: 0-300 UCl4(g) - UCl4 = + 1.0000 U++++ + 4.0000 Cl- - log_k 46.3988 - -delta_H -441.419 kJ/mol # Calculated enthalpy of reaction UCl4(g) + UCl4 = U+4 + 4 Cl- + log_k 46.3988 + -delta_H -441.419 kJ/mol # Calculated enthalpy of reaction UCl4(g) # Enthalpy of formation: -818.1 kJ/mol - -analytic -3.7971e+002 -1.3504e-001 3.0243e+004 1.4746e+002 4.7202e+002 + -analytic -3.7971e+2 -1.3504e-1 3.0243e+4 1.4746e+2 4.7202e+2 # -Range: 0-300 UCl5(g) - UCl5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 Cl- - log_k 54.5311 - -delta_H -406.349 kJ/mol # Calculated enthalpy of reaction UCl5(g) + UCl5 + 2 H2O = UO2+ + 4 H+ + 5 Cl- + log_k 54.5311 + -delta_H -406.349 kJ/mol # Calculated enthalpy of reaction UCl5(g) # Enthalpy of formation: -882.5 kJ/mol - -analytic -3.8234e+002 -1.5109e-001 2.8170e+004 1.5654e+002 4.3968e+002 + -analytic -3.8234e+2 -1.5109e-1 2.817e+4 1.5654e+2 4.3968e+2 # -Range: 0-300 UCl6(g) - UCl6 +2.0000 H2O = + 1.0000 UO2++ + 4.0000 H+ + 6.0000 Cl- - log_k 63.4791 - -delta_H -462.301 kJ/mol # Calculated enthalpy of reaction UCl6(g) + UCl6 + 2 H2O = UO2+2 + 4 H+ + 6 Cl- + log_k 63.4791 + -delta_H -462.301 kJ/mol # Calculated enthalpy of reaction UCl6(g) # Enthalpy of formation: -987.5 kJ/mol - -analytic -4.7128e+002 -1.9133e-001 3.2528e+004 1.9503e+002 5.0771e+002 + -analytic -4.7128e+2 -1.9133e-1 3.2528e+4 1.9503e+2 5.0771e+2 # -Range: 0-300 UF(g) - UF +1.0000 O2 = + 1.0000 F- + 1.0000 UO2+ - log_k 206.2684 - -delta_H -1296.34 kJ/mol # Calculated enthalpy of reaction UF(g) + UF + O2 = F- + UO2+ + log_k 206.2684 + -delta_H -1296.34 kJ/mol # Calculated enthalpy of reaction UF(g) # Enthalpy of formation: -52 kJ/mol - -analytic -6.1248e+001 -3.0360e-002 6.7619e+004 2.0095e+001 1.0551e+003 + -analytic -6.1248e+1 -3.036e-2 6.7619e+4 2.0095e+1 1.0551e+3 # -Range: 0-300 UF2(g) - UF2 +1.0000 O2 = + 1.0000 UO2++ + 2.0000 F- - log_k 172.3563 - -delta_H -1147.56 kJ/mol # Calculated enthalpy of reaction UF2(g) + UF2 + O2 = UO2+2 + 2 F- + log_k 172.3563 + -delta_H -1147.56 kJ/mol # Calculated enthalpy of reaction UF2(g) # Enthalpy of formation: -530 kJ/mol - -analytic -4.3462e+002 -1.0881e-001 7.6778e+004 1.5835e+002 -8.8536e+005 + -analytic -4.3462e+2 -1.0881e-1 7.6778e+4 1.5835e+2 -8.8536e+5 # -Range: 0-300 UF3(g) - UF3 = + 1.0000 U+++ + 3.0000 F- - log_k 47.2334 - -delta_H -440.943 kJ/mol # Calculated enthalpy of reaction UF3(g) + UF3 = U+3 + 3 F- + log_k 47.2334 + -delta_H -440.943 kJ/mol # Calculated enthalpy of reaction UF3(g) # Enthalpy of formation: -1054.2 kJ/mol - -analytic -3.3058e+002 -1.0866e-001 2.9694e+004 1.2551e+002 4.6344e+002 + -analytic -3.3058e+2 -1.0866e-1 2.9694e+4 1.2551e+2 4.6344e+2 # -Range: 0-300 UF4(g) - UF4 = + 1.0000 U++++ + 4.0000 F- - log_k 14.5980 - -delta_H -331.39 kJ/mol # Calculated enthalpy of reaction UF4(g) + UF4 = U+4 + 4 F- + log_k 14.598 + -delta_H -331.39 kJ/mol # Calculated enthalpy of reaction UF4(g) # Enthalpy of formation: -1601.2 kJ/mol - -analytic -4.4692e+002 -1.4314e-001 2.6427e+004 1.6791e+002 4.1250e+002 + -analytic -4.4692e+2 -1.4314e-1 2.6427e+4 1.6791e+2 4.125e+2 # -Range: 0-300 UF5(g) - UF5 +2.0000 H2O = + 1.0000 UO2+ + 4.0000 H+ + 5.0000 F- - log_k 6.3801 - -delta_H -220.188 kJ/mol # Calculated enthalpy of reaction UF5(g) + UF5 + 2 H2O = UO2+ + 4 H+ + 5 F- + log_k 6.3801 + -delta_H -220.188 kJ/mol # Calculated enthalpy of reaction UF5(g) # Enthalpy of formation: -1910 kJ/mol - -analytic -4.6981e+002 -1.6177e-001 2.0986e+004 1.8345e+002 3.2760e+002 + -analytic -4.6981e+2 -1.6177e-1 2.0986e+4 1.8345e+2 3.276e+2 # -Range: 0-300 UF6(g) - UF6 +2.0000 H2O = + 1.0000 UO2++ + 4.0000 H+ + 6.0000 F- - log_k 18.2536 - -delta_H -310.809 kJ/mol # Calculated enthalpy of reaction UF6(g) + UF6 + 2 H2O = UO2+2 + 4 H+ + 6 F- + log_k 18.2536 + -delta_H -310.809 kJ/mol # Calculated enthalpy of reaction UF6(g) # Enthalpy of formation: -2148.6 kJ/mol - -analytic -5.7661e+002 -2.0409e-001 2.7680e+004 2.2743e+002 4.3209e+002 + -analytic -5.7661e+2 -2.0409e-1 2.768e+4 2.2743e+2 4.3209e+2 # -Range: 0-300 UI(g) - UI +1.0000 O2 = + 1.0000 I- + 1.0000 UO2+ - log_k 230.8161 - -delta_H -1410.9 kJ/mol # Calculated enthalpy of reaction UI(g) + UI + O2 = I- + UO2+ + log_k 230.8161 + -delta_H -1410.9 kJ/mol # Calculated enthalpy of reaction UI(g) # Enthalpy of formation: 341 kJ/mol - -analytic -3.5819e+001 -2.6631e-002 7.2899e+004 1.2133e+001 1.1375e+003 + -analytic -3.5819e+1 -2.6631e-2 7.2899e+4 1.2133e+1 1.1375e+3 # -Range: 0-300 UI2(g) - UI2 +1.0000 O2 = + 1.0000 UO2++ + 2.0000 I- - log_k 194.5395 - -delta_H -1220.67 kJ/mol # Calculated enthalpy of reaction UI2(g) + UI2 + O2 = UO2+2 + 2 I- + log_k 194.5395 + -delta_H -1220.67 kJ/mol # Calculated enthalpy of reaction UI2(g) # Enthalpy of formation: 100 kJ/mol - -analytic -3.3543e+002 -9.5116e-002 7.6218e+004 1.2543e+002 -6.8683e+005 + -analytic -3.3543e+2 -9.5116e-2 7.6218e+4 1.2543e+2 -6.8683e+5 # -Range: 0-300 UI3(g) - UI3 = + 1.0000 U+++ + 3.0000 I- - log_k 75.6033 - -delta_H -519.807 kJ/mol # Calculated enthalpy of reaction UI3(g) + UI3 = U+3 + 3 I- + log_k 75.6033 + -delta_H -519.807 kJ/mol # Calculated enthalpy of reaction UI3(g) # Enthalpy of formation: -140 kJ/mol - -analytic -2.6095e+002 -9.8782e-002 3.1972e+004 1.0456e+002 4.9897e+002 + -analytic -2.6095e+2 -9.8782e-2 3.1972e+4 1.0456e+2 4.9897e+2 # -Range: 0-300 UI4(g) - UI4 = + 1.0000 U++++ + 4.0000 I- - log_k 64.3272 - -delta_H -510.01 kJ/mol # Calculated enthalpy of reaction UI4(g) + UI4 = U+4 + 4 I- + log_k 64.3272 + -delta_H -510.01 kJ/mol # Calculated enthalpy of reaction UI4(g) # Enthalpy of formation: -308.8 kJ/mol - -analytic -3.5645e+002 -1.3022e-001 3.3347e+004 1.4051e+002 5.2046e+002 + -analytic -3.5645e+2 -1.3022e-1 3.3347e+4 1.4051e+2 5.2046e+2 # -Range: 0-300 UO(g) - UO +2.0000 H+ +1.0000 O2 = + 1.0000 H2O + 1.0000 UO2++ - log_k 211.6585 - -delta_H -1323.2 kJ/mol # Calculated enthalpy of reaction UO(g) + UO + 2 H+ + O2 = H2O + UO2+2 + log_k 211.6585 + -delta_H -1323.2 kJ/mol # Calculated enthalpy of reaction UO(g) # Enthalpy of formation: 30.5 kJ/mol - -analytic -1.8007e+002 -3.1985e-002 7.8469e+004 5.8892e+001 -6.8071e+005 + -analytic -1.8007e+2 -3.1985e-2 7.8469e+4 5.8892e+1 -6.8071e+5 # -Range: 0-300 UO2(g) - UO2 +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 UO2++ - log_k 125.6027 - -delta_H -820.972 kJ/mol # Calculated enthalpy of reaction UO2(g) + UO2 + 2 H+ + 0.5 O2 = H2O + UO2+2 + log_k 125.6027 + -delta_H -820.972 kJ/mol # Calculated enthalpy of reaction UO2(g) # Enthalpy of formation: -477.8 kJ/mol - -analytic -5.2789e+000 -3.5754e-003 4.2074e+004 -3.7117e+000 6.5653e+002 + -analytic -5.2789e+0 -3.5754e-3 4.2074e+4 -3.7117e+0 6.5653e+2 # -Range: 0-300 UO2Cl2(g) - UO2Cl2 = + 1.0000 UO2++ + 2.0000 Cl- - log_k 47.9630 - -delta_H -381.559 kJ/mol # Calculated enthalpy of reaction UO2Cl2(g) + UO2Cl2 = UO2+2 + 2 Cl- + log_k 47.963 + -delta_H -381.559 kJ/mol # Calculated enthalpy of reaction UO2Cl2(g) # Enthalpy of formation: -971.6 kJ/mol - -analytic -1.8035e+002 -6.5574e-002 2.3064e+004 6.8894e+001 3.5994e+002 + -analytic -1.8035e+2 -6.5574e-2 2.3064e+4 6.8894e+1 3.5994e+2 # -Range: 0-300 UO2F2(g) - UO2F2 = + 1.0000 UO2++ + 2.0000 F- - log_k 34.6675 - -delta_H -337.195 kJ/mol # Calculated enthalpy of reaction UO2F2(g) + UO2F2 = UO2+2 + 2 F- + log_k 34.6675 + -delta_H -337.195 kJ/mol # Calculated enthalpy of reaction UO2F2(g) # Enthalpy of formation: -1352.5 kJ/mol - -analytic -2.1498e+002 -6.9882e-002 2.1774e+004 7.9780e+001 3.3983e+002 + -analytic -2.1498e+2 -6.9882e-2 2.1774e+4 7.978e+1 3.3983e+2 # -Range: 0-300 UO3(g) - UO3 +2.0000 H+ = + 1.0000 H2O + 1.0000 UO2++ - log_k 70.9480 - -delta_H -505.638 kJ/mol # Calculated enthalpy of reaction UO3(g) + UO3 + 2 H+ = H2O + UO2+2 + log_k 70.948 + -delta_H -505.638 kJ/mol # Calculated enthalpy of reaction UO3(g) # Enthalpy of formation: -799.2 kJ/mol - -analytic -3.2820e+001 -2.6807e-003 2.6914e+004 5.7767e+000 4.1997e+002 + -analytic -3.282e+1 -2.6807e-3 2.6914e+4 5.7767e+0 4.1997e+2 # -Range: 0-300 UOF4(g) - UOF4 +1.0000 H2O = + 1.0000 UO2++ + 2.0000 H+ + 4.0000 F- - log_k 24.2848 - -delta_H -312.552 kJ/mol # Calculated enthalpy of reaction UOF4(g) + UOF4 + H2O = UO2+2 + 2 H+ + 4 F- + log_k 24.2848 + -delta_H -312.552 kJ/mol # Calculated enthalpy of reaction UOF4(g) # Enthalpy of formation: -1762 kJ/mol - -analytic -3.9592e+002 -1.3699e-001 2.4127e+004 1.5359e+002 3.7660e+002 + -analytic -3.9592e+2 -1.3699e-1 2.4127e+4 1.5359e+2 3.766e+2 # -Range: 0-300 Xe(g) - Xe = + 1.0000 Xe - log_k -2.3640 - -delta_H -18.8698 kJ/mol # Calculated enthalpy of reaction Xe(g) + Xe = Xe + log_k -2.364 + -delta_H -18.8698 kJ/mol # Calculated enthalpy of reaction Xe(g) # Enthalpy of formation: 0 kcal/mol - -analytic -2.0636e+001 5.1389e-003 2.0490e+002 5.1913e+000 2.8556e+005 + -analytic -2.0636e+1 5.1389e-3 2.049e+2 5.1913e+0 2.8556e+5 # -Range: 0-300 Zn(g) - Zn +2.0000 H+ +0.5000 O2 = + 1.0000 H2O + 1.0000 Zn++ - log_k 85.4140 - -delta_H -563.557 kJ/mol # Calculated enthalpy of reaction Zn(g) + Zn + 2 H+ + 0.5 O2 = H2O + Zn+2 + log_k 85.414 + -delta_H -563.557 kJ/mol # Calculated enthalpy of reaction Zn(g) # Enthalpy of formation: 130.4 kJ/mol - -analytic -1.0898e+001 -3.9871e-003 2.9068e+004 0.0000e+000 0.0000e+000 + -analytic -1.0898e+1 -3.9871e-3 2.9068e+4 0e+0 0e+0 # -Range: 0-200 Zr(g) - Zr +4.0000 H+ +1.0000 O2 = + 1.0000 Zr++++ + 2.0000 H2O - log_k 277.1324 - -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(g) + Zr + 4 H+ + O2 = Zr+4 + 2 H2O + log_k 277.1324 + -delta_H 0 # Not possible to calculate enthalpy of reaction Zr(g) # Enthalpy of formation: 608.948 kJ/mol ZrF4(g) - ZrF4 = + 1.0000 Zr++++ + 4.0000 F- - log_k 142.9515 - -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4(g) + ZrF4 = Zr+4 + 4 F- + log_k 142.9515 + -delta_H 0 # Not possible to calculate enthalpy of reaction ZrF4(g) # Enthalpy of formation: -858.24 kJ/mol EXCHANGE_MASTER_SPECIES - X X- + X X- EXCHANGE_SPECIES X- = X- - log_k 0.0 + log_k 0 Na+ + X- = NaX - log_k 0.0 - -llnl_gamma 4.0 + log_k 0 + -llnl_gamma 4 K+ + X- = KX - log_k 0.7 - -llnl_gamma 3.0 - delta_h -4.3 # Jardine & Sparks, 1984 + log_k 0.7 + -llnl_gamma 3 + delta_h -4.3 # Jardine & Sparks, 1984 Li+ + X- = LiX - log_k -0.08 - -llnl_gamma 6.0 - delta_h 1.4 # Merriam & Thomas, 1956 + log_k -0.08 + -llnl_gamma 6 + delta_h 1.4 # Merriam & Thomas, 1956 NH4+ + X- = NH4X - log_k 0.6 - -llnl_gamma 2.5 - delta_h -2.4 # Laudelout et al., 1968 - - Ca+2 + 2X- = CaX2 - log_k 0.8 - -llnl_gamma 6.0 - delta_h 7.2 # Van Bladel & Gheyl, 1980 - - Mg+2 + 2X- = MgX2 - log_k 0.6 - -llnl_gamma 8.0 - delta_h 7.4 # Laudelout et al., 1968 - - Sr+2 + 2X- = SrX2 - log_k 0.91 - -llnl_gamma 5.0 - delta_h 5.5 # Laudelout et al., 1968 - - Ba+2 + 2X- = BaX2 - log_k 0.91 - -llnl_gamma 5.0 - delta_h 4.5 # Laudelout et al., 1968 - - Mn+2 + 2X- = MnX2 - log_k 0.52 - -llnl_gamma 6.0 - - Fe+2 + 2X- = FeX2 - log_k 0.44 - -llnl_gamma 6.0 - - Cu+2 + 2X- = CuX2 - log_k 0.6 - -llnl_gamma 6.0 - - Zn+2 + 2X- = ZnX2 - log_k 0.8 - -llnl_gamma 6.0 - - Cd+2 + 2X- = CdX2 - log_k 0.8 - -llnl_gamma 5.0 - - Pb+2 + 2X- = PbX2 - log_k 1.05 - -llnl_gamma 4.5 - - Al+3 + 3X- = AlX3 - log_k 0.41 - -llnl_gamma 9.0 - - AlOH+2 + 2X- = AlOHX2 - log_k 0.89 - -llnl_gamma 4.5 + log_k 0.6 + -llnl_gamma 2.5 + delta_h -2.4 # Laudelout et al., 1968 + + Ca+2 + 2 X- = CaX2 + log_k 0.8 + -llnl_gamma 6 + delta_h 7.2 # Van Bladel & Gheyl, 1980 + + Mg+2 + 2 X- = MgX2 + log_k 0.6 + -llnl_gamma 8 + delta_h 7.4 # Laudelout et al., 1968 + + Sr+2 + 2 X- = SrX2 + log_k 0.91 + -llnl_gamma 5 + delta_h 5.5 # Laudelout et al., 1968 + + Ba+2 + 2 X- = BaX2 + log_k 0.91 + -llnl_gamma 5 + delta_h 4.5 # Laudelout et al., 1968 + + Mn+2 + 2 X- = MnX2 + log_k 0.52 + -llnl_gamma 6 + + Fe+2 + 2 X- = FeX2 + log_k 0.44 + -llnl_gamma 6 + + Cu+2 + 2 X- = CuX2 + log_k 0.6 + -llnl_gamma 6 + + Zn+2 + 2 X- = ZnX2 + log_k 0.8 + -llnl_gamma 6 + + Cd+2 + 2 X- = CdX2 + log_k 0.8 + -llnl_gamma 5 + + Pb+2 + 2 X- = PbX2 + log_k 1.05 + -llnl_gamma 4.5 + + Al+3 + 3 X- = AlX3 + log_k 0.41 + -llnl_gamma 9 + + AlOH+2 + 2 X- = AlOHX2 + log_k 0.89 + -llnl_gamma 4.5 SURFACE_MASTER_SPECIES - Hfo_s Hfo_sOH - Hfo_w Hfo_wOH + Hfo_s Hfo_sOH + Hfo_w Hfo_wOH SURFACE_SPECIES # All surface data from # Dzombak and Morel, 1990 @@ -18884,24 +18888,24 @@ SURFACE_SPECIES # strong binding site--Hfo_s, Hfo_sOH = Hfo_sOH - log_k 0.0 + log_k 0 - Hfo_sOH + H+ = Hfo_sOH2+ - log_k 7.29 # = pKa1,int + Hfo_sOH + H+ = Hfo_sOH2+ + log_k 7.29 # = pKa1,int Hfo_sOH = Hfo_sO- + H+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int # weak binding site--Hfo_w Hfo_wOH = Hfo_wOH - log_k 0.0 + log_k 0 - Hfo_wOH + H+ = Hfo_wOH2+ - log_k 7.29 # = pKa1,int + Hfo_wOH + H+ = Hfo_wOH2+ + log_k 7.29 # = pKa1,int Hfo_wOH = Hfo_wO- + H+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int ############################################### # CATIONS # @@ -18911,52 +18915,52 @@ SURFACE_SPECIES # # Calcium Hfo_sOH + Ca+2 = Hfo_sOHCa+2 - log_k 4.97 + log_k 4.97 Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ log_k -5.85 # Strontium Hfo_sOH + Sr+2 = Hfo_sOHSr+2 - log_k 5.01 + log_k 5.01 Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+ log_k -6.58 - Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+ - log_k -17.60 + Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+ + log_k -17.6 # Barium Hfo_sOH + Ba+2 = Hfo_sOHBa+2 - log_k 5.46 + log_k 5.46 Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+ - log_k -7.2 # table 10.5 + log_k -7.2 # table 10.5 # # Cations from table 10.2 # # Cadmium Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+ - log_k 0.47 + log_k 0.47 Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+ - log_k -2.91 + log_k -2.91 # Zinc Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+ - log_k 0.99 + log_k 0.99 Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+ - log_k -1.99 + log_k -1.99 # Copper Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+ - log_k 2.89 + log_k 2.89 Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+ - log_k 0.6 # table 10.5 + log_k 0.6 # table 10.5 # Lead Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+ - log_k 4.65 + log_k 4.65 Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+ - log_k 0.3 # table 10.5 + log_k 0.3 # table 10.5 # # Derived constants table 10.5 # @@ -18965,16 +18969,16 @@ SURFACE_SPECIES log_k -4.6 # Manganese Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+ - log_k -0.4 # table 10.5 + log_k -0.4 # table 10.5 Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+ - log_k -3.5 # table 10.5 + log_k -3.5 # table 10.5 # Iron Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ - log_k 0.7 # LFER using table 10.5 + log_k 0.7 # LFER using table 10.5 Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+ - log_k -2.5 # LFER using table 10.5 + log_k -2.5 # LFER using table 10.5 ############################################### # ANIONS # @@ -18983,44 +18987,44 @@ SURFACE_SPECIES # Anions from table 10.6 # # Phosphate - Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O - log_k 31.29 + Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O + log_k 31.29 - Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O - log_k 25.39 + Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O + log_k 25.39 Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O - log_k 17.72 + log_k 17.72 # # Anions from table 10.7 # # Borate Hfo_wOH + B(OH)3 = Hfo_wH2BO3 + H2O - log_k 0.62 + log_k 0.62 # # Anions from table 10.8 # # Sulfate Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O - log_k 7.78 + log_k 7.78 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 - log_k 0.79 + log_k 0.79 # # Derived constants table 10.10 # Hfo_wOH + F- + H+ = Hfo_wF + H2O - log_k 8.7 + log_k 8.7 Hfo_wOH + F- = Hfo_wOHF- - log_k 1.6 + log_k 1.6 # # Carbonate: Van Geen et al., 1994 reoptimized for HFO # 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L # # Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O # log_k 12.56 -# +# # Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O # log_k 20.62 @@ -19070,38 +19074,38 @@ RATES K-feldspar -start -1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 -2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar -3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) -5 REM K-Feldspar parameters -10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 -20 RESTORE 10 -30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH -40 DATA 3500, 2000, 2500, 2000 -50 RESTORE 40 -60 READ e_H, e_H2O, e_OH, e_CO2 -70 pk_CO2 = 13 -80 n_CO2 = 0.6 +1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 +2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar +3 REM PARM(2) = Adjusts lab rate to field rate +4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +5 REM K-Feldspar parameters +10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 +20 RESTORE 10 +30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH +40 DATA 3500, 2000, 2500, 2000 +50 RESTORE 40 +60 READ e_H, e_H2O, e_OH, e_CO2 +70 pk_CO2 = 13 +80 n_CO2 = 0.6 100 REM Generic rate follows 110 dif_temp = 1/TK - 1/281 -120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") +120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") 130 REM rate by H+ -140 pk_H = pk_H + e_H * dif_temp -150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) +140 pk_H = pk_H + e_H * dif_temp +150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) 160 REM rate by hydrolysis -170 pk_H2O = pk_H2O + e_H2O * dif_temp +170 pk_H2O = pk_H2O + e_H2O * dif_temp 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC) 190 REM rate by OH- -200 pk_OH = pk_OH + e_OH * dif_temp -210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH +200 pk_OH = pk_OH + e_OH * dif_temp +210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH 220 REM rate by CO2 -230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp +230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2 -250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 -260 area = PARM(1) * M0 *(M/M0)^0.67 -270 rate = PARM(2) * area * rate * (1-SR("K-feldspar")) -280 moles = rate * TIME +250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 +260 area = PARM(1) * M0 *(M/M0)^0.67 +270 rate = PARM(2) * area * rate * (1-SR("K-feldspar")) +280 moles = rate * TIME 290 SAVE moles -end @@ -19145,38 +19149,38 @@ K-feldspar Albite -start -1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 -2 REM PARM(1) = Specific area of Albite m^2/mol Albite -3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) -5 REM Albite parameters -10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3 -20 RESTORE 10 -30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH -40 DATA 3500, 2000, 2500, 2000 -50 RESTORE 40 -60 READ e_H, e_H2O, e_OH, e_CO2 -70 pk_CO2 = 13 -80 n_CO2 = 0.6 +1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 +2 REM PARM(1) = Specific area of Albite m^2/mol Albite +3 REM PARM(2) = Adjusts lab rate to field rate +4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +5 REM Albite parameters +10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3 +20 RESTORE 10 +30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH +40 DATA 3500, 2000, 2500, 2000 +50 RESTORE 40 +60 READ e_H, e_H2O, e_OH, e_CO2 +70 pk_CO2 = 13 +80 n_CO2 = 0.6 100 REM Generic rate follows 110 dif_temp = 1/TK - 1/281 -120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") +120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") 130 REM rate by H+ -140 pk_H = pk_H + e_H * dif_temp -150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) +140 pk_H = pk_H + e_H * dif_temp +150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) 160 REM rate by hydrolysis -170 pk_H2O = pk_H2O + e_H2O * dif_temp +170 pk_H2O = pk_H2O + e_H2O * dif_temp 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC) 190 REM rate by OH- -200 pk_OH = pk_OH + e_OH * dif_temp -210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH +200 pk_OH = pk_OH + e_OH * dif_temp +210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH 220 REM rate by CO2 -230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp +230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2 -250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 -260 area = PARM(1) * M0 *(M/M0)^0.67 -270 rate = PARM(2) * area * rate * (1-SR("Albite")) -280 moles = rate * TIME +250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 +260 area = PARM(1) * M0 *(M/M0)^0.67 +270 rate = PARM(2) * area * rate * (1-SR("Albite")) +280 moles = rate * TIME 290 SAVE moles -end @@ -19184,7 +19188,7 @@ Albite #Calcite ######## # Example of KINETICS data block for calcite rate, -# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257. +# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257 # KINETICS 1 # Calcite # -tol 1e-8 @@ -19195,16 +19199,16 @@ Albite Calcite -start -1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite -2 REM PARM(2) = exponent for M/M0 - -10 si_cc = SI("Calcite") -20 IF (M <= 0 and si_cc < 0) THEN GOTO 200 -30 k1 = 10^(0.198 - 444.0 / TK ) -40 k2 = 10^(2.84 - 2177.0 /TK ) -50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK) -60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK ) -80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M +1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite +2 REM PARM(2) = exponent for M/M0 + +10 si_cc = SI("Calcite") +20 IF (M <= 0 and si_cc < 0) THEN GOTO 200 +30 k1 = 10^(0.198 - 444 / TK ) +40 k2 = 10^(2.84 - 2177 /TK ) +50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317 / TK) +60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737 / TK ) +80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M 110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O")) 120 rate = rate * (1 - 10^(2/3*si_cc)) 130 moles = rate * 0.001 * TIME # convert from mmol to mol @@ -19229,18 +19233,18 @@ Calcite # -time 1 day in 10 Pyrite -start -1 REM Williamson and Rimstidt, 1994 -2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite) -3 REM PARM(2) = exp for (M/M0) -4 REM PARM(3) = exp for O2 -5 REM PARM(4) = exp for H+ - -10 REM Dissolution in presence of DO -20 if (M <= 0) THEN GOTO 200 -30 if (SI("Pyrite") >= 0) THEN GOTO 200 -40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+") -50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0) -60 moles = 10^(log_area + log_rate) * TIME +1 REM Williamson and Rimstidt, 1994 +2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite) +3 REM PARM(2) = exp for (M/M0) +4 REM PARM(3) = exp for O2 +5 REM PARM(4) = exp for H+ + +10 REM Dissolution in presence of DO +20 if (M <= 0) THEN GOTO 200 +30 if (SI("Pyrite") >= 0) THEN GOTO 200 +40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+") +50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0) +60 moles = 10^(log_area + log_rate) * TIME 200 SAVE moles -end @@ -19257,19 +19261,19 @@ Pyrite # -time 30 year in 15 Organic_C -start -1 REM Additive Monod kinetics for SOC (sediment organic carbon) -2 REM Electron acceptors: O2, NO3, and SO4 - -10 if (M <= 0) THEN GOTO 200 -20 mO2 = MOL("O2") -30 mNO3 = TOT("N(5)") -40 mSO4 = TOT("S(6)") -50 k_O2 = 1.57e-9 # 1/sec -60 k_NO3 = 1.67e-11 # 1/sec -70 k_SO4 = 1.e-13 # 1/sec -80 rate = k_O2 * mO2/(2.94e-4 + mO2) -90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3) -100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4) +1 REM Additive Monod kinetics for SOC (sediment organic carbon) +2 REM Electron acceptors: O2, NO3, and SO4 + +10 if (M <= 0) THEN GOTO 200 +20 mO2 = MOL("O2") +30 mNO3 = TOT("N(5)") +40 mSO4 = TOT("S(6)") +50 k_O2 = 1.57e-9 # 1/sec +60 k_NO3 = 1.67e-11 # 1/sec +70 k_SO4 = 1.e-13 # 1/sec +80 rate = k_O2 * mO2/(2.94e-4 + mO2) +90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3) +100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4) 110 moles = rate * M * (M/M0) * TIME 200 SAVE moles -end @@ -19290,14 +19294,14 @@ Organic_C # -time 0.5 day in 10 Pyrolusite -start -10 if (M <= 0) THEN GOTO 200 -20 sr_pl = SR("Pyrolusite") -30 if (sr_pl > 1) THEN GOTO 100 -40 REM sr_pl <= 1, undersaturated -50 Fe_t = TOT("Fe(2)") -60 if Fe_t < 1e-8 then goto 200 -70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl) -80 GOTO 200 +10 if (M <= 0) THEN GOTO 200 +20 sr_pl = SR("Pyrolusite") +30 if (sr_pl > 1) THEN GOTO 100 +40 REM sr_pl <= 1, undersaturated +50 Fe_t = TOT("Fe(2)") +60 if Fe_t < 1e-8 then goto 200 +70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl) +80 GOTO 200 100 REM sr_pl > 1, supersaturated 110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME 200 SAVE moles * SOLN_VOL diff --git a/database/minimum.dat b/database/minimum.dat index 9234591c4..6f9d3b05c 100644 --- a/database/minimum.dat +++ b/database/minimum.dat @@ -1,66 +1,70 @@ +# File 1 = C:\GitPrograms\phreeqc3-1\database\minimum.dat, 19/11/2023 20:31, 66 lines, 2360 bytes, md5=7edb88ba80cce39d28c29b0da2e5527d +# Created 17 May 2024 14:30:40 +# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "minimum.dat" + SOLUTION_MASTER_SPECIES -H H+ -1.0 H 1.008 -H(0) H2 0 H -H(1) H+ -1.0 0 1 -E e- 0 0.0 0 -O H2O 0 O 16.0 -O(0) O2 0 O -O(-2) H2O 0 0 -C CO3-2 2.0 HCO3 12.0111 60 12 -Ca Ca+2 0 40.08 40.08 -Al Al+3 0 27 27 -Si H4SiO4 0 SiO2 28.0843 +H H+ -1 H 1.008 +H(0) H2 0 H +H(1) H+ -1 0 1 +E e- 1 0 0 +O H2O 0 O 16 +O(0) O2 0 O +O(-2) H2O 0 0 +C CO3-2 2 HCO3 12.0111 +Ca Ca+2 0 40.08 40.08 +Al Al+3 0 27 27 +Si H4SiO4 0 SiO2 28.0843 SOLUTION_SPECIES H+ = H+ - -gamma 9.0 0 - -dw 9.31e-9 1000 0.46 1e-10 # The dw parameters are defined in ref. 3. + -gamma 9 0 + -dw 9.31e-9 1000 0.46 1e-10 # The dw parameters are defined in ref. 3 # Dw(TK) = 9.31e-9 * exp(1000 / TK - 1000 / 298.15) * viscos_0_25 / viscos_0_tc # Dw(I) = Dw(TK) * exp(-0.46 * DH_A * |z_H+| * I^0.5 / (1 + DH_B * I^0.5 * 1e-10 / (1 + I^0.75))) e- = e- H2O = H2O # H2O + 0.01e- = H2O-0.01; -log_k -9 # aids convergence Ca+2 = Ca+2 - -gamma 5.0 0.1650 - -dw 0.793e-9 97 3.4 24.6 - -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.60 -57.1 -6.12e-3 1 # The apparent volume parameters are defined in ref. 1 & 2 + -gamma 5 0.165 + -dw 0.793e-9 97 3.4 24.6 + -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.6 -57.1 -6.12e-3 1 # The apparent volume parameters are defined in ref. 1 & 2 Al+3 = Al+3 - -gamma 9.0 0 - -dw 0.559e-9 - -Vm -2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353. + -gamma 9 0 + -dw 0.559e-9 + -Vm -2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353 H4SiO4 = H4SiO4 - -dw 1.10e-9 - -Vm 10.5 1.7 20 -2.7 0.1291 # supcrt + 2*H2O in a1 + -dw 1.1e-9 + -Vm 10.5 1.7 20 -2.7 0.1291 # supcrt 2*H2O in a1 H2O = OH- + H+ - -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 - -gamma 3.5 0 - -dw 5.27e-9 548 0.52 1e-10 - -Vm -9.66 28.5 80.0 -22.9 1.89 0 1.09 0 0 1 + -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 + -gamma 3.5 0 + -dw 5.27e-9 548 0.52 1e-10 + -Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1 2 H2O = O2 + 4 H+ + 4 e- - -log_k -86.08 + -log_k -86.08 -delta_h 134.79 kcal - -dw 2.35e-9 - -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt + -dw 2.35e-9 + -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt 2 H+ + 2 e- = H2 - -log_k -3.15 + -log_k -3.15 -delta_h -1.759 kcal - -dw 5.13e-9 - -Vm 6.52 0.78 0.12 # supcrt + -dw 5.13e-9 + -Vm 6.52 0.78 0.12 # supcrt CO3-2 = CO3-2 - -gamma 5.4 0 - -dw 0.955e-9 28.9 14.3 98.1 - -Vm 8.69 -10.2 -20.31 -0.131 4.65 0 3.75 0 -4.04e-2 0.678 + -gamma 5.4 0 + -dw 0.955e-9 28.9 14.3 98.1 + -Vm 8.69 -10.2 -20.31 -0.131 4.65 0 3.75 0 -4.04e-2 0.678 CO3-2 + H+ = HCO3- - -log_k 10.329 - -delta_h -3.561 kcal - -analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9 - -gamma 5.4 0 - -dw 1.18e-9 -182 0.351 -4.94 - -Vm 9.03 -7.03e-2 -13.38 0 2.05 0 0 128 0 0.8242 + -log_k 10.329 + -delta_h -3.561 kcal + -analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9 + -gamma 5.4 0 + -dw 1.18e-9 -182 0.351 -4.94 + -Vm 9.03 -7.03e-2 -13.38 0 2.05 0 0 128 0 0.8242 CO3-2 + 2 H+ = CO2 + H2O - -log_k 16.681 - -delta_h -5.738 kcal - -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 - -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 - -Vm 7.29 0.92 2.07 -1.23 -1.60 # McBride et al. 2015, JCED 60, 171 + -log_k 16.681 + -delta_h -5.738 kcal + -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 + -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 + -Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171 -gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431 END diff --git a/database/minteq.dat b/database/minteq.dat index d2c706534..2a3568407 100644 --- a/database/minteq.dat +++ b/database/minteq.dat @@ -1,1834 +1,1838 @@ +# File 1 = C:\GitPrograms\phreeqc3-1\database\minteq.dat, 15/03/2024 15:27, 5650 lines, 159592 bytes, md5=4c6f21f3073c15690f089901794039db +# Created 17 May 2024 14:30:40 +# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "minteq.dat" + # $Id: minteq.dat 11091 2016-04-21 15:20:05Z dlpark $ SOLUTION_MASTER_SPECIES ####################################################### # essential definitions ####################################################### -Alkalinity CO3-2 2.0 61.0173 61.0173 -E e- 0 0 0 -H H+ -1. 1.008 1.008 -H(0) H2 0.0 1.008 -H(1) H+ -1. 1.008 -O H2O 0 16.00 16.00 -O(-2) H2O 0 16.00 16.00 -O(0) O2 0 16.00 16.00 +Alkalinity CO3-2 2 61.0173 61.0173 +E e- 1 0 0 +H H+ -1 1.008 1.008 +H(0) H2 0 1.008 +H(1) H+ -1 1.008 +O H2O 0 16 16 +O(-2) H2O 0 16 16 +O(0) O2 0 16 16 ####################################################### -Ag Ag+ 0 107.868 107.868 -Al Al+3 0 26.9815 26.9815 -As H3AsO4 -1.0 74.9216 74.9216 -As(+3) H3AsO3 0.0 74.9216 -As(+5) H3AsO4 -1.0 74.9216 -B H3BO3 0.0 10.81 10.81 -Ba Ba+2 0 137.34 137.34 -Be Be+2 0 9.0122 9.0122 -Br Br- 0 79.904 79.904 -C CO3-2 2.0 61.0173 12.0111 -C(+4) CO3-2 2.0 61.0173 +Ag Ag+ 0 107.868 107.868 +Al Al+3 0 26.9815 26.9815 +As H3AsO4 -1 74.9216 74.9216 +As(+3) H3AsO3 0 74.9216 +As(+5) H3AsO4 -1 74.9216 +B H3BO3 0 10.81 10.81 +Ba Ba+2 0 137.34 137.34 +Be Be+2 0 9.0122 9.0122 +Br Br- 0 79.904 79.904 +C CO3-2 2 61.0173 12.0111 +C(+4) CO3-2 2 61.0173 #C(-4) CH4 0.0 16.042 -Cyanide Cyanide- 0 26.018 26.018 -Cyanate Cyanate- 0 42.017 42.017 +Cyanide Cyanide- 0 26.018 26.018 +Cyanate Cyanate- 0 42.017 42.017 #DOM DOM-2.8 0 0 0 #ClIG2 ClIG2 0 0 0 -Ca Ca+2 0 40.08 40.08 -Cd Cd+2 0 112.399 112.399 -Cl Cl- 0 35.453 35.453 -Cr CrO4-2 1 51.996 51.996 -Cr(2) Cr+2 0 51.996 -Cr(3) Cr(OH)2+ 1 51.996 -Cr(6) CrO4-2 1 51.996 -Cu Cu+2 0 63.546 63.546 -Cu(1) Cu+ 0 63.546 -Cu(2) Cu+2 0 63.546 -F F- 0 18.9984 18.9984 -Fe Fe+3 0.0 55.847 55.847 -Fe(+2) Fe+2 0.0 55.847 -Fe(+3) Fe+3 -2.0 55.847 -Hg Hg(OH)2 0 200.59 200.59 -Hg(2) Hg(OH)2 0 200.59 -Hg(1) Hg2+2 0 200.59 -Hg(0) Hg 0 200.59 -I I- 0 126.904 126.904 -K K+ 0 39.102 39.102 -Li Li+ 0 6.939 6.939 -Mg Mg+2 0 24.312 24.312 -Mn Mn+3 0.0 54.938 54.938 -Mn(2) Mn+2 0.0 54.938 -Mn(3) Mn+3 0.0 54.938 -Mn(6) MnO4-2 0.0 54.938 -Mn(7) MnO4- 0.0 54.938 -N NO3- 0.0 14.0067 14.0067 -N(-3) NH4+ 0.0 14.0067 +Ca Ca+2 0 40.08 40.08 +Cd Cd+2 0 112.399 112.399 +Cl Cl- 0 35.453 35.453 +Cr CrO4-2 1 51.996 51.996 +Cr(2) Cr+2 0 51.996 +Cr(3) Cr(OH)2+ 1 51.996 +Cr(6) CrO4-2 1 51.996 +Cu Cu+2 0 63.546 63.546 +Cu(1) Cu+ 0 63.546 +Cu(2) Cu+2 0 63.546 +F F- 0 18.9984 18.9984 +Fe Fe+3 0 55.847 55.847 +Fe(+2) Fe+2 0 55.847 +Fe(+3) Fe+3 -2 55.847 +Hg Hg(OH)2 0 200.59 200.59 +Hg(2) Hg(OH)2 0 200.59 +Hg(1) Hg2+2 0 200.59 +Hg(0) Hg 0 200.59 +I I- 0 126.904 126.904 +K K+ 0 39.102 39.102 +Li Li+ 0 6.939 6.939 +Mg Mg+2 0 24.312 24.312 +Mn Mn+3 0 54.938 54.938 +Mn(2) Mn+2 0 54.938 +Mn(3) Mn+3 0 54.938 +Mn(6) MnO4-2 0 54.938 +Mn(7) MnO4- 0 54.938 +N NO3- 0 14.0067 14.0067 +N(-3) NH4+ 0 14.0067 #N(0) N2 0.0 14.0067 -N(+3) NO2- 0.0 14.0067 -N(+5) NO3- 0.0 14.0067 -Na Na+ 0 22.9898 22.9898 -Ni Ni+2 0 58.71 58.71 -P PO4-3 2.0 30.9738 30.9738 -Pb Pb+2 0 207.19 207.19 -Rb Rb+ 0 85.4699 85.4699 -S SO4-2 0.0 96.0616 32.064 -S(-2) HS- 1.0 32.064 -S(6) SO4-2 0.0 96.0616 -Sb Sb(OH)6- 0. Sb 121.75 -Sb(3) Sb(OH)3 0. Sb -Sb(5) Sb(OH)6- 0 Sb -Se SeO4-2 0.0 78.96 78.96 -Se(-2) HSe- 0.0 78.96 -Se(4) SeO3-2 0.0 78.96 -Se(6) SeO4-2 0.0 78.96 -Si H4SiO4 0 96.1155 28.0843 -Sr Sr+2 0 87.62 87.62 -Tl Tl(OH)3 0 204.37 204.37 -Tl(1) Tl+ 0 204.37 -Tl(3) Tl(OH)3 0 204.37 -U UO2+2 0.0 238.0290 238.0290 -U(3) U+3 0.0 238.0290 -U(4) U+4 0.0 238.0290 -U(5) UO2+ 0.0 238.0290 -U(6) UO2+2 0.0 238.0290 -V VO2+ -2.0 50.94 50.94 -V(2) V+2 0 50.94 -V(3) V+3 -3.0 50.94 -V(4) VO+2 0 50.94 -V(5) VO2+ -2.0 50.94 -Zn Zn+2 0 65.37 65.37 -Benzoate Benzoate- 0 121.12 121.12 -Para_acetate Para_acetate- 1 134.14 134.14 -Isophthalate Isophthalate-2 1 164.12 164.12 -Diethylamine Diethylamine 0 73 73 -Nbutylamine Nbutylamine 1 73 73 -Methylamine Methylamine 1 31.018 31.018 -Dimethylamine Dimethylamine 1 45.028 45.028 -Tributylphosphate Tributylphosphate 0 265.97 265.97 -Hexylamine Hexylamine 1 101 101 -Ethylenediamine Ethylenediamine 2 60.12 60.12 -Npropylamine Npropylamine 1 59.04 59.04 -Isopropylamine Isopropylamine 1 59.04 59.04 -Trimethylamine Trimethylamine 1 59.04 59.04 -Citrate Citrate-3 2 189.06 189.06 -Nta Nta-3 1 188.06 188.06 -Edta Edta-4 2 276 276 -Propanoate Propanoate- 1 73.032 73.032 -Butanoate Butanoate- 0 87.043 87.043 -Isobutyrate Isobutyrate- 1 87.043 87.043 -Two_methylpyridine Two_methylpyridine 1 94 94 -Three_methylpyridine Three_methylpyridine 1 94 94 -Four_methylpyridine Four_methylpyridine 1 94 94 -Formate Formate- 0 45.02 45.02 -Isovalerate Isovalerate- 1 101.13 101.13 -Valerate Valerate- 1 101.13 101.13 -Acetate Acetate- 1 59.05 59.05 -Tartrate Tartrate-2 0 148.09 148.09 -Glycine Glycine- 1 74.07 74.07 -Salicylate Salicylate-2 1 136.12 136.12 -Glutamate Glutamate-2 1 145.13 145.13 -Phthalate Phthalate-2 1 164.13 164.13 +N(+3) NO2- 0 14.0067 +N(+5) NO3- 0 14.0067 +Na Na+ 0 22.9898 22.9898 +Ni Ni+2 0 58.71 58.71 +P PO4-3 2 30.9738 30.9738 +Pb Pb+2 0 207.19 207.19 +Rb Rb+ 0 85.4699 85.4699 +S SO4-2 0 96.0616 32.064 +S(-2) HS- 1 32.064 +S(6) SO4-2 0 96.0616 +Sb Sb(OH)6- 0 Sb 121.75 +Sb(3) Sb(OH)3 0 Sb +Sb(5) Sb(OH)6- 0 Sb +Se SeO4-2 0 78.96 78.96 +Se(-2) HSe- 0 78.96 +Se(4) SeO3-2 0 78.96 +Se(6) SeO4-2 0 78.96 +Si H4SiO4 0 96.1155 28.0843 +Sr Sr+2 0 87.62 87.62 +Tl Tl(OH)3 0 204.37 204.37 +Tl(1) Tl+ 0 204.37 +Tl(3) Tl(OH)3 0 204.37 +U UO2+2 0 238.029 238.029 +U(3) U+3 0 238.029 +U(4) U+4 0 238.029 +U(5) UO2+ 0 238.029 +U(6) UO2+2 0 238.029 +V VO2+ -2 50.94 50.94 +V(2) V+2 0 50.94 +V(3) V+3 -3 50.94 +V(4) VO+2 0 50.94 +V(5) VO2+ -2 50.94 +Zn Zn+2 0 65.37 65.37 +Benzoate Benzoate- 0 121.12 121.12 +Para_acetate Para_acetate- 1 134.14 134.14 +Isophthalate Isophthalate-2 1 164.12 164.12 +Diethylamine Diethylamine 0 73 73 +Nbutylamine Nbutylamine 1 73 73 +Methylamine Methylamine 1 31.018 31.018 +Dimethylamine Dimethylamine 1 45.028 45.028 +Tributylphosphate Tributylphosphate 0 265.97 265.97 +Hexylamine Hexylamine 1 101 101 +Ethylenediamine Ethylenediamine 2 60.12 60.12 +Npropylamine Npropylamine 1 59.04 59.04 +Isopropylamine Isopropylamine 1 59.04 59.04 +Trimethylamine Trimethylamine 1 59.04 59.04 +Citrate Citrate-3 2 189.06 189.06 +Nta Nta-3 1 188.06 188.06 +Edta Edta-4 2 276 276 +Propanoate Propanoate- 1 73.032 73.032 +Butanoate Butanoate- 0 87.043 87.043 +Isobutyrate Isobutyrate- 1 87.043 87.043 +Two_methylpyridine Two_methylpyridine 1 94 94 +Three_methylpyridine Three_methylpyridine 1 94 94 +Four_methylpyridine Four_methylpyridine 1 94 94 +Formate Formate- 0 45.02 45.02 +Isovalerate Isovalerate- 1 101.13 101.13 +Valerate Valerate- 1 101.13 101.13 +Acetate Acetate- 1 59.05 59.05 +Tartrate Tartrate-2 0 148.09 148.09 +Glycine Glycine- 1 74.07 74.07 +Salicylate Salicylate-2 1 136.12 136.12 +Glutamate Glutamate-2 1 145.13 145.13 +Phthalate Phthalate-2 1 164.13 164.13 SOLUTION_SPECIES ####################################################### # essential definitions ####################################################### e- = e- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal H+ = H+ - log_k 0 - delta_h 0 kcal - -gamma 9.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 9 0 H2O = H2O - log_k 0 - delta_h 0 kcal -2H2O = O2 + 4H+ + 4e- - log_k -86.08 + log_k 0 + delta_h 0 kcal +2 H2O = O2 + 4 H+ + 4 e- + log_k -86.08 delta_h 134.79 kcal 2 H+ + 2 e- = H2 - log_k -3.15 - delta_h -1.759 kcal + log_k -3.15 + delta_h -1.759 kcal CO3-2 = CO3-2 - log_k 0 - delta_h 0 kcal - -gamma 5.4 0.0 + log_k 0 + delta_h 0 kcal + -gamma 5.4 0 ####################################################### Ag+ = Ag+ - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Al+3 = Al+3 - log_k 0 - delta_h 0 kcal - -gamma 9.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 9 0 H3AsO4 = H3AsO4 - log_k 0 - delta_h 0 kcal -H3AsO4 + 2e- + 2H+ = H3AsO3 + H2O - log_k 19.444 + log_k 0 + delta_h 0 kcal +H3AsO4 + 2 e- + 2 H+ = H3AsO3 + H2O + log_k 19.444 delta_h -30.015 kcal H3BO3 = H3BO3 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Ba+2 = Ba+2 - log_k 0 - delta_h 0 kcal - -gamma 5.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 5 0 Be+2 = Be+2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Br- = Br- - log_k 0 - delta_h 0 kcal - -gamma 4.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 4 0 Cyanide- = Cyanide- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Cyanate- = Cyanate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Ca+2 = Ca+2 - log_k 0 - delta_h 0 kcal - -gamma 6.0 .165 + log_k 0 + delta_h 0 kcal + -gamma 6 .165 Cd+2 = Cd+2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Cl- = Cl- - log_k 0 - delta_h 0 kcal - -gamma 3.0 .015 + log_k 0 + delta_h 0 kcal + -gamma 3 .015 CrO4-2 = CrO4-2 - log_k 0 - delta_h 0 kcal - -gamma 4.0 0.0 -Cr(OH)2+ + 2H+ + e- = Cr+2 + 2H2O - log_k 2.947 - delta_h 6.36 kcal -CrO4-2 + 6H+ + 3e- = Cr(OH)2+ + 2H2O - log_k 67.376 - delta_h -103 kcal + log_k 0 + delta_h 0 kcal + -gamma 4 0 +Cr(OH)2+ + 2 H+ + e- = Cr+2 + 2 H2O + log_k 2.947 + delta_h 6.36 kcal +CrO4-2 + 6 H+ + 3 e- = Cr(OH)2+ + 2 H2O + log_k 67.376 + delta_h -103 kcal Cu+2 = Cu+2 - log_k 0 - delta_h 0 kcal - -gamma 2.5 0.0 + log_k 0 + delta_h 0 kcal + -gamma 2.5 0 Cu+2 + e- = Cu+ - log_k 2.72 - delta_h 1.65 kcal - -gamma 2.5 0.0 + log_k 2.72 + delta_h 1.65 kcal + -gamma 2.5 0 F- = F- - log_k 0 - delta_h 0 kcal - -gamma 3.5 0.0 + log_k 0 + delta_h 0 kcal + -gamma 3.5 0 Fe+3 = Fe+3 - log_k 0 - delta_h 0 kcal - -gamma 9.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 9 0 Fe+3 + e- = Fe+2 - log_k 13.032 - delta_h -10 kcal - -gamma 6.0 0.0 + log_k 13.032 + delta_h -10 kcal + -gamma 6 0 Hg(OH)2 = Hg(OH)2 - log_k 0 - delta_h 0 kcal -2Hg(OH)2 + 4H+ + 2e- = Hg2+2 + 4H2O - log_k 42.987 - delta_h -63.59 kcal - -gamma 4.0 0.0 -0.5Hg2+2 + e- = Hg - log_k 6.9316 + log_k 0 + delta_h 0 kcal +2 Hg(OH)2 + 4 H+ + 2 e- = Hg2+2 + 4 H2O + log_k 42.987 + delta_h -63.59 kcal + -gamma 4 0 +0.5 Hg2+2 + e- = Hg + log_k 6.9316 delta_h -16.605 kcal I- = I- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal K+ = K+ - log_k 0 - delta_h 0 kcal - -gamma 3.0 .015 + log_k 0 + delta_h 0 kcal + -gamma 3 .015 Li+ = Li+ - log_k 0 - delta_h 0 kcal - -gamma 6.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 6 0 Mg+2 = Mg+2 - log_k 0 - delta_h 0 kcal - -gamma 6.5 .20 -Mn+2 + 4H2O = MnO4- + 8H+ + 5e- - log_k -127.824 - delta_h 176.62 kcal - -gamma 3.0 0 -Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e- - log_k -118.44 - delta_h 150.02 kcal - -gamma 5.0 0 + log_k 0 + delta_h 0 kcal + -gamma 6.5 .2 +Mn+2 + 4 H2O = MnO4- + 8 H+ + 5 e- + log_k -127.824 + delta_h 176.62 kcal + -gamma 3 0 +Mn+2 + 4 H2O = MnO4-2 + 8 H+ + 4 e- + log_k -118.44 + delta_h 150.02 kcal + -gamma 5 0 Mn+3 = Mn+3 - log_k 0 - delta_h 0 kcal - -gamma 9.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 9 0 Mn+3 + e- = Mn+2 - log_k 25.507 - delta_h 25.76 kcal - -gamma 6.0 0.0 + log_k 25.507 + delta_h 25.76 kcal + -gamma 6 0 NO3- = NO3- - log_k 0 - delta_h 0 kcal - -gamma 3.0 0.0 -NO3- + 2H+ + 2e- = NO2- + H2O - log_k 28.57 - delta_h -43.76 kcal -NO3- + 10H+ + 8e- = NH4+ + 3H2O - log_k 119.077 - delta_h -187.055 kcal - -gamma 2.5 0.0 + log_k 0 + delta_h 0 kcal + -gamma 3 0 +NO3- + 2 H+ + 2 e- = NO2- + H2O + log_k 28.57 + delta_h -43.76 kcal +NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O + log_k 119.077 + delta_h -187.055 kcal + -gamma 2.5 0 Na+ = Na+ - log_k 0 - delta_h 0 kcal - -gamma 4.0 .075 + log_k 0 + delta_h 0 kcal + -gamma 4 .075 Ni+2 = Ni+2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal PO4-3 = PO4-3 - log_k 0 - delta_h 0 kcal - -gamma 5.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 5 0 Pb+2 = Pb+2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Rb+ = Rb+ - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal SO4-2 = SO4-2 - log_k 0 - delta_h 0 kcal - -gamma 4.0 -.04 -SO4-2 + 9H+ + 8e- = HS- + 4H2O - log_k 33.66 - delta_h -60.14 kcal - -gamma 3.5 0.0 + log_k 0 + delta_h 0 kcal + -gamma 4 -.04 +SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O + log_k 33.66 + delta_h -60.14 kcal + -gamma 3.5 0 Sb(OH)6- = Sb(OH)6- - log_k 0 - delta_h 0 kcal -Sb(OH)6- + 2e- + 3H+ = Sb(OH)3 + 3H2O - log_k 25.7791 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal +Sb(OH)6- + 2 e- + 3 H+ = Sb(OH)3 + 3 H2O + log_k 25.7791 + delta_h 0 kcal SeO4-2 = SeO4-2 - log_k 0 - delta_h 0 kcal - -gamma 4.0 0.0 -HSeO3- + 6e- + 6H+ = HSe- + 3H2O - log_k 35.38 - delta_h -78.17 kcal -SeO4-2 + 2e- + 3H+ = HSeO3- + H2O - log_k 36.319 + log_k 0 + delta_h 0 kcal + -gamma 4 0 +HSeO3- + 6 e- + 6 H+ = HSe- + 3 H2O + log_k 35.38 + delta_h -78.17 kcal +SeO4-2 + 2 e- + 3 H+ = HSeO3- + H2O + log_k 36.319 delta_h -48.095 kcal H4SiO4 = H4SiO4 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Sr+2 = Sr+2 - log_k 0 - delta_h 0 kcal - -gamma 5.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 5 0 Tl(OH)3 = Tl(OH)3 - log_k 0 - delta_h 0 kcal -Tl(OH)3 + 2e- + 3H+ = Tl+ + 3H2O - log_k 48.0178 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal +Tl(OH)3 + 2 e- + 3 H+ = Tl+ + 3 H2O + log_k 48.0178 + delta_h 0 kcal UO2+2 = UO2+2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal UO2+2 + e- = UO2+ - log_k 2.785 - delta_h -3.3 kcal -UO2+2 + 2e- + 4H+ = U+4 + 2H2O - log_k 9.216 - delta_h -34.43 kcal -UO2+2 + 3e- + 4H+ = U+3 + 2H2O - log_k 0.42 - delta_h -10.03 kcal + log_k 2.785 + delta_h -3.3 kcal +UO2+2 + 2 e- + 4 H+ = U+4 + 2 H2O + log_k 9.216 + delta_h -34.43 kcal +UO2+2 + 3 e- + 4 H+ = U+3 + 2 H2O + log_k 0.42 + delta_h -10.03 kcal VO2+ = VO2+ - log_k 0 - delta_h 0 kcal -VO2+ + e- + 2H+ = VO+2 + H2O - log_k 16.93 - delta_h -29.32 kcal -VO2+ + 2e- + 4H+ = V+3 + 2H2O - log_k 22.61 - delta_h -44.23 kcal -VO2+ + 3e- + 4H+ = V+2 + 2H2O - log_k 18.38 - delta_h -35.33 kcal + log_k 0 + delta_h 0 kcal +VO2+ + e- + 2 H+ = VO+2 + H2O + log_k 16.93 + delta_h -29.32 kcal +VO2+ + 2 e- + 4 H+ = V+3 + 2 H2O + log_k 22.61 + delta_h -44.23 kcal +VO2+ + 3 e- + 4 H+ = V+2 + 2 H2O + log_k 18.38 + delta_h -35.33 kcal Zn+2 = Zn+2 - log_k 0 - delta_h 0 kcal - -gamma 6.0 0.0 + log_k 0 + delta_h 0 kcal + -gamma 6 0 Benzoate- = Benzoate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Para_acetate- = Para_acetate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Isophthalate-2 = Isophthalate-2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Diethylamine = Diethylamine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Nbutylamine = Nbutylamine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Methylamine = Methylamine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Dimethylamine = Dimethylamine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Tributylphosphate = Tributylphosphate - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Hexylamine = Hexylamine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Ethylenediamine = Ethylenediamine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Npropylamine = Npropylamine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Isopropylamine = Isopropylamine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Trimethylamine = Trimethylamine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Citrate-3 = Citrate-3 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Nta-3 = Nta-3 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Edta-4 = Edta-4 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Propanoate- = Propanoate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Butanoate- = Butanoate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Isobutyrate- = Isobutyrate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Two_methylpyridine = Two_methylpyridine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Three_methylpyridine = Three_methylpyridine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Four_methylpyridine = Four_methylpyridine - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Formate- = Formate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Isovalerate- = Isovalerate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Valerate- = Valerate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Acetate- = Acetate- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Tartrate-2 = Tartrate-2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Glycine- = Glycine- - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Salicylate-2 = Salicylate-2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Glutamate-2 = Glutamate-2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal Phthalate-2 = Phthalate-2 - log_k 0 - delta_h 0 kcal + log_k 0 + delta_h 0 kcal SOLUTION_SPECIES H2O = OH- + H+ - log_k -13.998 - delta_h 13.345 kcal - -gamma 3.5 0 + log_k -13.998 + delta_h 13.345 kcal + -gamma 3.5 0 H4SiO4 = H3SiO4- + H+ - log_k -9.93 - delta_h 8.935 kcal - -gamma 4 0 - -analytical 6.368 -0.016346 -3405.9 -H4SiO4 = H2SiO4-2 + 2H+ - log_k -21.619 - delta_h 29.714 kcal - -gamma 5.4 0 - -analytical 39.478 -0.065927 -12355.1 -H4SiO4 + 6F- + 4H+ = SiF6-2 + 4H2O - log_k 30.18 - delta_h -16.26 kcal - -gamma 5 0 + log_k -9.93 + delta_h 8.935 kcal + -gamma 4 0 + -analytical 6.368 -0.016346 -3405.9 +H4SiO4 = H2SiO4-2 + 2 H+ + log_k -21.619 + delta_h 29.714 kcal + -gamma 5.4 0 + -analytical 39.478 -0.065927 -12355.1 +H4SiO4 + 6 F- + 4 H+ = SiF6-2 + 4 H2O + log_k 30.18 + delta_h -16.26 kcal + -gamma 5 0 H3BO3 = H2BO3- + H+ - log_k -9.24 - delta_h 3.224 kcal - -gamma 2.5 0 - -analytical 24.3919 0.012078 -1343.9 -13.2258 + log_k -9.24 + delta_h 3.224 kcal + -gamma 2.5 0 + -analytical 24.3919 0.012078 -1343.9 -13.2258 H3BO3 + F- = BF(OH)3- - log_k -0.399 - delta_h 1.85 kcal - -gamma 2.5 0 -H3BO3 + 2F- + H+ = BF2(OH)2- + H2O - log_k 7.63 - delta_h 1.635 kcal - -gamma 2.5 0 -H3BO3 + 3F- + 2H+ = BF3OH- + 2H2O - log_k 13.667 - delta_h -1.58 kcal - -gamma 2.5 0 -H3BO3 + 4F- + 3H+ = BF4- + 3H2O - log_k 20.274 - delta_h -1.795 kcal - -gamma 2.5 0 + log_k -0.399 + delta_h 1.85 kcal + -gamma 2.5 0 +H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O + log_k 7.63 + delta_h 1.635 kcal + -gamma 2.5 0 +H3BO3 + 3 F- + 2 H+ = BF3OH- + 2 H2O + log_k 13.667 + delta_h -1.58 kcal + -gamma 2.5 0 +H3BO3 + 4 F- + 3 H+ = BF4- + 3 H2O + log_k 20.274 + delta_h -1.795 kcal + -gamma 2.5 0 NH4+ = NH3 + H+ - log_k -9.252 - delta_h 12.48 kcal - -analytical 0.6322 -0.001225 -2835.76 + log_k -9.252 + delta_h 12.48 kcal + -analytical 0.6322 -0.001225 -2835.76 NH4+ + SO4-2 = NH4SO4- - log_k 1.11 - delta_h 0 kcal - -gamma 5 0 + log_k 1.11 + delta_h 0 kcal + -gamma 5 0 Mg+2 + H2O = MgOH+ + H+ - log_k -11.79 - delta_h 15.935 kcal - -gamma 6.5 0 - -analytical -3.53 0.00513 -2917.1 + log_k -11.79 + delta_h 15.935 kcal + -gamma 6.5 0 + -analytical -3.53 0.00513 -2917.1 Mg+2 + F- = MgF+ - log_k 1.82 - delta_h 4.674 kcal - -gamma 4.5 0 + log_k 1.82 + delta_h 4.674 kcal + -gamma 4.5 0 Mg+2 + CO3-2 = MgCO3 - log_k 2.98 - delta_h 2.022 kcal - -analytical 0.991 0.00667 + log_k 2.98 + delta_h 2.022 kcal + -analytical 0.991 0.00667 Mg+2 + CO3-2 + H+ = MgHCO3+ - log_k 11.4 - delta_h -2.43 kcal - -gamma 4 0 -# Minteq a_e has more constants than phreeqc, can not use + log_k 11.4 + delta_h -2.43 kcal + -gamma 4 0 +# Minteq a_e has more constants than phreeqc, can not use # -analytical_expression -4.179 0.012734 2902.39 0.0 2.29812E-5 Mg+2 + SO4-2 = MgSO4 - log_k 2.25 - delta_h 1.399 kcal + log_k 2.25 + delta_h 1.399 kcal Mg+2 + PO4-3 = MgPO4- - log_k 6.589 - delta_h 3.1 kcal - -gamma 5.4 0 -Mg+2 + PO4-3 + 2H+ = MgH2PO4+ - log_k 21.066 - delta_h -1.12 kcal - -gamma 5.4 0 + log_k 6.589 + delta_h 3.1 kcal + -gamma 5.4 0 +Mg+2 + PO4-3 + 2 H+ = MgH2PO4+ + log_k 21.066 + delta_h -1.12 kcal + -gamma 5.4 0 Mg+2 + PO4-3 + H+ = MgHPO4 - log_k 15.22 - delta_h -0.23 kcal + log_k 15.22 + delta_h -0.23 kcal Ca+2 + H2O = CaOH+ + H+ - log_k -12.598 - delta_h 14.535 kcal - -gamma 6 0 + log_k -12.598 + delta_h 14.535 kcal + -gamma 6 0 Ca+2 + CO3-2 + H+ = CaHCO3+ - log_k 11.33 - delta_h 1.79 kcal - -gamma 6 0 - -analytical -9.448 0.03709 2902.39 + log_k 11.33 + delta_h 1.79 kcal + -gamma 6 0 + -analytical -9.448 0.03709 2902.39 Ca+2 + CO3-2 = CaCO3 - log_k 3.15 - delta_h 4.03 kcal - -analytical -27.393 0.05617 4114.0 + log_k 3.15 + delta_h 4.03 kcal + -analytical -27.393 0.05617 4114 Ca+2 + SO4-2 = CaSO4 - log_k 2.309 - delta_h 1.47 kcal + log_k 2.309 + delta_h 1.47 kcal Ca+2 + PO4-3 + H+ = CaHPO4 - log_k 15.085 - delta_h -0.23 kcal + log_k 15.085 + delta_h -0.23 kcal Ca+2 + PO4-3 = CaPO4- - log_k 6.459 - delta_h 3.1 kcal - -gamma 5.4 0 -Ca+2 + PO4-3 + 2H+ = CaH2PO4+ - log_k 20.96 - delta_h -1.12 kcal - -gamma 5.4 0 + log_k 6.459 + delta_h 3.1 kcal + -gamma 5.4 0 +Ca+2 + PO4-3 + 2 H+ = CaH2PO4+ + log_k 20.96 + delta_h -1.12 kcal + -gamma 5.4 0 Ca+2 + F- = CaF+ - log_k 0.94 - delta_h 3.798 kcal - -gamma 5 0 + log_k 0.94 + delta_h 3.798 kcal + -gamma 5 0 Na+ + CO3-2 = NaCO3- - log_k 1.268 - delta_h 8.911 kcal - -gamma 5.4 0 + log_k 1.268 + delta_h 8.911 kcal + -gamma 5.4 0 Na+ + CO3-2 + H+ = NaHCO3 - log_k 10.08 - delta_h 0 kcal + log_k 10.08 + delta_h 0 kcal Na+ + SO4-2 = NaSO4- - log_k 0.7 - delta_h 1.12 kcal - -gamma 5.4 0 + log_k 0.7 + delta_h 1.12 kcal + -gamma 5.4 0 Na+ + PO4-3 + H+ = NaHPO4- - log_k 12.636 - delta_h 0 kcal - -gamma 5.4 0 + log_k 12.636 + delta_h 0 kcal + -gamma 5.4 0 Na+ + F- = NaF - log_k -0.79 - delta_h 0 kcal + log_k -0.79 + delta_h 0 kcal K+ + SO4-2 = KSO4- - log_k 0.85 - delta_h 2.25 kcal - -gamma 5.4 0 - -analytical 3.106 0.00 -673.6 + log_k 0.85 + delta_h 2.25 kcal + -gamma 5.4 0 + -analytical 3.106 0 -673.6 K+ + PO4-3 + H+ = KHPO4- - log_k 12.64 - -gamma 5.4 0 - delta_h 0 kcal + log_k 12.64 + -gamma 5.4 0 + delta_h 0 kcal Al+3 + H2O = AlOH+2 + H+ - log_k -4.99 - delta_h 11.899 kcal - -gamma 5.4 0 -Al+3 + 2H2O = Al(OH)2+ + 2H+ - log_k -10.1 - delta_h 0 kcal - -gamma 5.4 0 -Al+3 + 4H2O = Al(OH)4- + 4H+ - log_k -23 - delta_h 44.06 kcal - -gamma 4.5 0 + log_k -4.99 + delta_h 11.899 kcal + -gamma 5.4 0 +Al+3 + 2 H2O = Al(OH)2+ + 2 H+ + log_k -10.1 + delta_h 0 kcal + -gamma 5.4 0 +Al+3 + 4 H2O = Al(OH)4- + 4 H+ + log_k -23 + delta_h 44.06 kcal + -gamma 4.5 0 Al+3 + F- = AlF+2 - log_k 7.01 - delta_h 0 kcal - -gamma 5.4 0 -Al+3 + 2F- = AlF2+ - log_k 12.75 - delta_h 20 kcal - -gamma 5.4 0 -Al+3 + 3F- = AlF3 - log_k 17.02 - delta_h 2.5 kcal -Al+3 + 4F- = AlF4- - log_k 19.72 - delta_h 0 kcal - -gamma 4.5 0 + log_k 7.01 + delta_h 0 kcal + -gamma 5.4 0 +Al+3 + 2 F- = AlF2+ + log_k 12.75 + delta_h 20 kcal + -gamma 5.4 0 +Al+3 + 3 F- = AlF3 + log_k 17.02 + delta_h 2.5 kcal +Al+3 + 4 F- = AlF4- + log_k 19.72 + delta_h 0 kcal + -gamma 4.5 0 Al+3 + SO4-2 = AlSO4+ - log_k 3.02 - delta_h 2.15 kcal - -gamma 4.5 0 -Al+3 + 2SO4-2 = Al(SO4)2- - log_k 4.92 - delta_h 2.84 kcal - -gamma 4.5 0 -Al+3 + 3H2O = Al(OH)3 + 3H+ - log_k -16 - delta_h 0 kcal + log_k 3.02 + delta_h 2.15 kcal + -gamma 4.5 0 +Al+3 + 2 SO4-2 = Al(SO4)2- + log_k 4.92 + delta_h 2.84 kcal + -gamma 4.5 0 +Al+3 + 3 H2O = Al(OH)3 + 3 H+ + log_k -16 + delta_h 0 kcal Fe+2 + H2O = FeOH+ + H+ - log_k -9.5 - delta_h 13.199 kcal - -gamma 5 0 -Fe+2 + 3H2O = Fe(OH)3- + 3H+ - log_k -31 - delta_h 30.3 kcal - -gamma 5 0 + log_k -9.5 + delta_h 13.199 kcal + -gamma 5 0 +Fe+2 + 3 H2O = Fe(OH)3- + 3 H+ + log_k -31 + delta_h 30.3 kcal + -gamma 5 0 Fe+2 + SO4-2 = FeSO4 - log_k 2.25 - delta_h 3.23 kcal -Fe+2 + PO4-3 + 2H+ = FeH2PO4+ - log_k 22.253 - delta_h 0 kcal - -gamma 5.4 0 -Fe+2 + 2H2O = Fe(OH)2 + 2H+ - log_k -20.57 - delta_h 28.565 kcal + log_k 2.25 + delta_h 3.23 kcal +Fe+2 + PO4-3 + 2 H+ = FeH2PO4+ + log_k 22.253 + delta_h 0 kcal + -gamma 5.4 0 +Fe+2 + 2 H2O = Fe(OH)2 + 2 H+ + log_k -20.57 + delta_h 28.565 kcal Fe+2 + PO4-3 + H+ = FeHPO4 - log_k 15.95 - delta_h 0 kcal -Fe+2 + 2HS- = Fe(HS)2 - log_k 8.95 - delta_h 0 kcal -Fe+2 + 3HS- = Fe(HS)3- - log_k 10.987 - delta_h 0 kcal + log_k 15.95 + delta_h 0 kcal +Fe+2 + 2 HS- = Fe(HS)2 + log_k 8.95 + delta_h 0 kcal +Fe+2 + 3 HS- = Fe(HS)3- + log_k 10.987 + delta_h 0 kcal Fe+3 + H2O = FeOH+2 + H+ - log_k -2.19 - delta_h 10.399 kcal - -gamma 5 0 + log_k -2.19 + delta_h 10.399 kcal + -gamma 5 0 Fe+3 + PO4-3 + H+ = FeHPO4+ - log_k 17.78 - delta_h -7.3 kcal - -gamma 5.4 0 + log_k 17.78 + delta_h -7.3 kcal + -gamma 5.4 0 Fe+3 + SO4-2 = FeSO4+ - log_k 3.92 - delta_h 3.91 kcal - -gamma 5 0 + log_k 3.92 + delta_h 3.91 kcal + -gamma 5 0 Fe+3 + Cl- = FeCl+2 - log_k 1.48 - delta_h 5.6 kcal - -gamma 5 0 -Fe+3 + 2Cl- = FeCl2+ - log_k 2.13 - delta_h 0 kcal - -gamma 5 0 -Fe+3 + 3Cl- = FeCl3 - log_k 1.13 - delta_h 0 kcal -Fe+3 + 2H2O = Fe(OH)2+ + 2H+ - log_k -5.67 - delta_h 0 kcal - -gamma 5.4 0 -Fe+3 + 3H2O = Fe(OH)3 + 3H+ - log_k -13.6 - delta_h 0 kcal -Fe+3 + 4H2O = Fe(OH)4- + 4H+ - log_k -21.6 - delta_h 0 kcal - -gamma 5.4 0 -Fe+3 + PO4-3 + 2H+ = FeH2PO4+2 - log_k 24.98 - delta_h 0 kcal - -gamma 5.4 0 + log_k 1.48 + delta_h 5.6 kcal + -gamma 5 0 +Fe+3 + 2 Cl- = FeCl2+ + log_k 2.13 + delta_h 0 kcal + -gamma 5 0 +Fe+3 + 3 Cl- = FeCl3 + log_k 1.13 + delta_h 0 kcal +Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+ + log_k -5.67 + delta_h 0 kcal + -gamma 5.4 0 +Fe+3 + 3 H2O = Fe(OH)3 + 3 H+ + log_k -13.6 + delta_h 0 kcal +Fe+3 + 4 H2O = Fe(OH)4- + 4 H+ + log_k -21.6 + delta_h 0 kcal + -gamma 5.4 0 +Fe+3 + PO4-3 + 2 H+ = FeH2PO4+2 + log_k 24.98 + delta_h 0 kcal + -gamma 5.4 0 Fe+3 + F- = FeF+2 - log_k 6.199 - delta_h 2.699 kcal - -gamma 5 0 -Fe+3 + 2F- = FeF2+ - log_k 10.8 - delta_h 4.8 kcal - -gamma 5 0 -Fe+3 + 3F- = FeF3 - log_k 14 - delta_h 5.399 kcal -Fe+3 + 2SO4-2 = Fe(SO4)2- - log_k 5.42 - delta_h 4.6 kcal -2Fe+3 + 2H2O = Fe2(OH)2+4 + 2H+ - log_k -2.95 - delta_h 13.5 kcal -3Fe+3 + 4H2O = Fe3(OH)4+5 + 4H+ - log_k -6.3 - delta_h 14.3 kcal + log_k 6.199 + delta_h 2.699 kcal + -gamma 5 0 +Fe+3 + 2 F- = FeF2+ + log_k 10.8 + delta_h 4.8 kcal + -gamma 5 0 +Fe+3 + 3 F- = FeF3 + log_k 14 + delta_h 5.399 kcal +Fe+3 + 2 SO4-2 = Fe(SO4)2- + log_k 5.42 + delta_h 4.6 kcal +2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+ + log_k -2.95 + delta_h 13.5 kcal +3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+ + log_k -6.3 + delta_h 14.3 kcal Li+ + SO4-2 = LiSO4- - log_k 0.64 - delta_h 0 kcal - -gamma 5 0 + log_k 0.64 + delta_h 0 kcal + -gamma 5 0 Sr+2 + H2O = SrOH+ + H+ - log_k -13.178 - delta_h 14.495 kcal - -gamma 5 0 + log_k -13.178 + delta_h 14.495 kcal + -gamma 5 0 Ba+2 + H2O = BaOH+ + H+ - log_k -13.358 - delta_h 15.095 kcal - -gamma 5 0 + log_k -13.358 + delta_h 15.095 kcal + -gamma 5 0 Mn+2 + Cl- = MnCl+ - log_k 0.607 - delta_h 0 kcal - -gamma 5 0 -Mn+2 + 2Cl- = MnCl2 - log_k 0.041 - delta_h 0 kcal -Mn+2 + 3Cl- = MnCl3- - log_k -0.305 - delta_h 0 kcal - -gamma 5 0 + log_k 0.607 + delta_h 0 kcal + -gamma 5 0 +Mn+2 + 2 Cl- = MnCl2 + log_k 0.041 + delta_h 0 kcal +Mn+2 + 3 Cl- = MnCl3- + log_k -0.305 + delta_h 0 kcal + -gamma 5 0 Mn+2 + H2O = MnOH+ + H+ - log_k -10.59 - delta_h 14.399 kcal - -gamma 5 0 -Mn+2 + 3H2O = Mn(OH)3- + 3H+ - log_k -34.8 - delta_h 0 kcal - -gamma 5 0 + log_k -10.59 + delta_h 14.399 kcal + -gamma 5 0 +Mn+2 + 3 H2O = Mn(OH)3- + 3 H+ + log_k -34.8 + delta_h 0 kcal + -gamma 5 0 Mn+2 + F- = MnF+ - log_k 0.85 - delta_h 0 kcal - -gamma 5 0 + log_k 0.85 + delta_h 0 kcal + -gamma 5 0 Mn+2 + SO4-2 = MnSO4 - log_k 2.26 - delta_h 2.17 kcal -Mn+2 + 2NO3- = Mn(NO3)2 - log_k 0.6 - delta_h -0.396 kcal + log_k 2.26 + delta_h 2.17 kcal +Mn+2 + 2 NO3- = Mn(NO3)2 + log_k 0.6 + delta_h -0.396 kcal Mn+2 + CO3-2 + H+ = MnHCO3+ - log_k 11.6 - delta_h 0 kcal - -gamma 5 0 -Cu+ + 2Cl- = CuCl2- - log_k 5.5 - delta_h -0.42 kcal - -gamma 4 0 -Cu+ + 3Cl- = CuCl3-2 - log_k 5.7 - delta_h 0.26 kcal - -gamma 5 0 -Cu+ + 2HS- = Cu(S4)2-3 + 2H+ - log_k 3.39 - delta_h 0 kcal - -gamma 23 0 + log_k 11.6 + delta_h 0 kcal + -gamma 5 0 +Cu+ + 2 Cl- = CuCl2- + log_k 5.5 + delta_h -0.42 kcal + -gamma 4 0 +Cu+ + 3 Cl- = CuCl3-2 + log_k 5.7 + delta_h 0.26 kcal + -gamma 5 0 +Cu+ + 2 HS- = Cu(S4)2-3 + 2 H+ + log_k 3.39 + delta_h 0 kcal + -gamma 23 0 -no_check -mass_balance Cu(1)(S(-2)4)2 -Cu+ + 2HS- = CuS4S5-3 + 2H+ - log_k 2.66 - delta_h 0 kcal - -gamma 25 0 +Cu+ + 2 HS- = CuS4S5-3 + 2 H+ + log_k 2.66 + delta_h 0 kcal + -gamma 25 0 -no_check -mass_balance Cu(1)S(-2)4S(-2)5 Cu+2 + Acetate- = CuAcetate+ - log_k 2.22 - delta_h 0 kcal + log_k 2.22 + delta_h 0 kcal Cu+2 + Glycine- = CuGlycine+ - log_k 8.62 - delta_h 0 kcal -2Cu+2 + Glycine- = Cu2Glycine+3 - log_k 15.64 - delta_h 0 kcal + log_k 8.62 + delta_h 0 kcal +2 Cu+2 + Glycine- = Cu2Glycine+3 + log_k 15.64 + delta_h 0 kcal Cu+2 + Salicylate-2 = CuSalicylate - log_k 10.64 - delta_h 0 kcal -2Cu+2 + Salicylate-2 = Cu2Salicylate+2 - log_k 16.94 - delta_h 0 kcal + log_k 10.64 + delta_h 0 kcal +2 Cu+2 + Salicylate-2 = Cu2Salicylate+2 + log_k 16.94 + delta_h 0 kcal Cu+2 + Glutamate-2 = CuGlutamate - log_k 8.33 - delta_h 0 kcal -2Cu+2 + Glutamate-2 = Cu2Glutamate+2 - log_k 14.84 - delta_h 0 kcal -2Cu+2 + Phthalate-2 = Cu2Phthalate+2 - log_k 5.3 - delta_h 0 kcal + log_k 8.33 + delta_h 0 kcal +2 Cu+2 + Glutamate-2 = Cu2Glutamate+2 + log_k 14.84 + delta_h 0 kcal +2 Cu+2 + Phthalate-2 = Cu2Phthalate+2 + log_k 5.3 + delta_h 0 kcal Cu+2 + CO3-2 = CuCO3 - log_k 6.73 - delta_h 0 kcal -Cu+2 + 2CO3-2 = Cu(CO3)2-2 - log_k 9.83 - delta_h 0 kcal + log_k 6.73 + delta_h 0 kcal +Cu+2 + 2 CO3-2 = Cu(CO3)2-2 + log_k 9.83 + delta_h 0 kcal Cu+2 + Cl- = CuCl+ - log_k 0.43 - delta_h 8.65 kcal - -gamma 4 0 -Cu+2 + 2Cl- = CuCl2 - log_k 0.16 - delta_h 10.56 kcal -Cu+2 + 3Cl- = CuCl3- - log_k -2.29 - delta_h 13.69 kcal - -gamma 4 0 -Cu+2 + 4Cl- = CuCl4-2 - log_k -4.59 - delta_h 7.78 kcal - -gamma 5 0 + log_k 0.43 + delta_h 8.65 kcal + -gamma 4 0 +Cu+2 + 2 Cl- = CuCl2 + log_k 0.16 + delta_h 10.56 kcal +Cu+2 + 3 Cl- = CuCl3- + log_k -2.29 + delta_h 13.69 kcal + -gamma 4 0 +Cu+2 + 4 Cl- = CuCl4-2 + log_k -4.59 + delta_h 7.78 kcal + -gamma 5 0 Cu+2 + F- = CuF+ - log_k 1.26 - delta_h 1.62 kcal + log_k 1.26 + delta_h 1.62 kcal Cu+2 + H2O = CuOH+ + H+ - log_k -8 - delta_h 0 kcal - -gamma 4 0 -Cu+2 + 2H2O = Cu(OH)2 + 2H+ - log_k -13.68 - delta_h 0 kcal -Cu+2 + 3H2O = Cu(OH)3- + 3H+ - log_k -26.899 - delta_h 0 kcal -Cu+2 + 4H2O = Cu(OH)4-2 + 4H+ - log_k -39.6 - delta_h 0 kcal -2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+ - log_k -10.359 - delta_h 17.539 kcal - -analytical 2.497 0.0 -3833.0 + log_k -8 + delta_h 0 kcal + -gamma 4 0 +Cu+2 + 2 H2O = Cu(OH)2 + 2 H+ + log_k -13.68 + delta_h 0 kcal +Cu+2 + 3 H2O = Cu(OH)3- + 3 H+ + log_k -26.899 + delta_h 0 kcal +Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+ + log_k -39.6 + delta_h 0 kcal +2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+ + log_k -10.359 + delta_h 17.539 kcal + -analytical 2.497 0 -3833 Cu+2 + SO4-2 = CuSO4 - log_k 2.31 - delta_h 1.22 kcal -Cu+2 + 3HS- = Cu(HS)3- - log_k 25.899 - delta_h 0 kcal + log_k 2.31 + delta_h 1.22 kcal +Cu+2 + 3 HS- = Cu(HS)3- + log_k 25.899 + delta_h 0 kcal Cu+2 + CO3-2 + H+ = CuHCO3+ - log_k 13 - delta_h 0 kcal + log_k 13 + delta_h 0 kcal Zn+2 + Cl- = ZnCl+ - log_k 0.43 - delta_h 7.79 kcal - -gamma 4 0 -Zn+2 + 2Cl- = ZnCl2 - log_k 0.45 - delta_h 8.5 kcal -Zn+2 + 3Cl- = ZnCl3- - log_k 0.5 - delta_h 9.56 kcal - -gamma 4 0 -Zn+2 + 4Cl- = ZnCl4-2 - log_k 0.199 - delta_h 10.96 kcal - -gamma 5 0 + log_k 0.43 + delta_h 7.79 kcal + -gamma 4 0 +Zn+2 + 2 Cl- = ZnCl2 + log_k 0.45 + delta_h 8.5 kcal +Zn+2 + 3 Cl- = ZnCl3- + log_k 0.5 + delta_h 9.56 kcal + -gamma 4 0 +Zn+2 + 4 Cl- = ZnCl4-2 + log_k 0.199 + delta_h 10.96 kcal + -gamma 5 0 Zn+2 + F- = ZnF+ - log_k 1.15 - delta_h 2.22 kcal + log_k 1.15 + delta_h 2.22 kcal Zn+2 + H2O = ZnOH+ + H+ - log_k -8.96 - delta_h 13.399 kcal -Zn+2 + 2H2O = Zn(OH)2 + 2H+ - log_k -16.899 - delta_h 0 kcal -Zn+2 + 3H2O = Zn(OH)3- + 3H+ - log_k -28.399 - delta_h 0 kcal -Zn+2 + 4H2O = Zn(OH)4-2 + 4H+ - log_k -41.199 - delta_h 0 kcal + log_k -8.96 + delta_h 13.399 kcal +Zn+2 + 2 H2O = Zn(OH)2 + 2 H+ + log_k -16.899 + delta_h 0 kcal +Zn+2 + 3 H2O = Zn(OH)3- + 3 H+ + log_k -28.399 + delta_h 0 kcal +Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+ + log_k -41.199 + delta_h 0 kcal Zn+2 + H2O + Cl- = ZnOHCl + H+ - log_k -7.48 - delta_h 0 kcal -Zn+2 + 2HS- = Zn(HS)2 - log_k 14.94 - delta_h 0 kcal -Zn+2 + 3HS- = Zn(HS)3- - log_k 16.1 - delta_h 0 kcal + log_k -7.48 + delta_h 0 kcal +Zn+2 + 2 HS- = Zn(HS)2 + log_k 14.94 + delta_h 0 kcal +Zn+2 + 3 HS- = Zn(HS)3- + log_k 16.1 + delta_h 0 kcal Zn+2 + SO4-2 = ZnSO4 - log_k 2.37 - delta_h 1.36 kcal -Zn+2 + 2SO4-2 = Zn(SO4)2-2 - log_k 3.28 - delta_h 0 kcal + log_k 2.37 + delta_h 1.36 kcal +Zn+2 + 2 SO4-2 = Zn(SO4)2-2 + log_k 3.28 + delta_h 0 kcal Zn+2 + Br- = ZnBr+ - log_k -0.58 - delta_h 0 kcal -Zn+2 + 2Br- = ZnBr2 - log_k -0.98 - delta_h 0 kcal + log_k -0.58 + delta_h 0 kcal +Zn+2 + 2 Br- = ZnBr2 + log_k -0.98 + delta_h 0 kcal Zn+2 + I- = ZnI+ - log_k -2.91 - delta_h 0 kcal -Zn+2 + 2I- = ZnI2 - log_k -1.69 - delta_h 0 kcal + log_k -2.91 + delta_h 0 kcal +Zn+2 + 2 I- = ZnI2 + log_k -1.69 + delta_h 0 kcal Zn+2 + CO3-2 + H+ = ZnHCO3+ - log_k 12.4 - delta_h 0 kcal + log_k 12.4 + delta_h 0 kcal Zn+2 + CO3-2 = ZnCO3 - log_k 5.3 - delta_h 0 kcal -Zn+2 + 2CO3-2 = Zn(CO3)2-2 - log_k 9.63 - delta_h 0 kcal + log_k 5.3 + delta_h 0 kcal +Zn+2 + 2 CO3-2 = Zn(CO3)2-2 + log_k 9.63 + delta_h 0 kcal Cd+2 + Cl- = CdCl+ - log_k 1.98 - delta_h 0.59 kcal -Cd+2 + 2Cl- = CdCl2 - log_k 2.6 - delta_h 1.24 kcal -Cd+2 + 3Cl- = CdCl3- - log_k 2.399 - delta_h 3.9 kcal + log_k 1.98 + delta_h 0.59 kcal +Cd+2 + 2 Cl- = CdCl2 + log_k 2.6 + delta_h 1.24 kcal +Cd+2 + 3 Cl- = CdCl3- + log_k 2.399 + delta_h 3.9 kcal Cd+2 + F- = CdF+ - log_k 1.1 - delta_h 0 kcal -Cd+2 + 2F- = CdF2 - log_k 1.5 - delta_h 0 kcal -Cd+2 + 3CO3-2 = Cd(CO3)3-4 - log_k 6.22 - delta_h 0 kcal + log_k 1.1 + delta_h 0 kcal +Cd+2 + 2 F- = CdF2 + log_k 1.5 + delta_h 0 kcal +Cd+2 + 3 CO3-2 = Cd(CO3)3-4 + log_k 6.22 + delta_h 0 kcal Cd+2 + H2O = CdOH+ + H+ - log_k -10.08 - delta_h 13.1 kcal -Cd+2 + 2H2O = Cd(OH)2 + 2H+ - log_k -20.35 - delta_h 0 kcal -Cd+2 + 3H2O = Cd(OH)3- + 3H+ - log_k -33.3 - delta_h 0 kcal -Cd+2 + 4H2O = Cd(OH)4-2 + 4H+ - log_k -47.35 - delta_h 0 kcal -2Cd+2 + H2O = Cd2OH+3 + H+ - log_k -9.39 - delta_h 10.899 kcal + log_k -10.08 + delta_h 13.1 kcal +Cd+2 + 2 H2O = Cd(OH)2 + 2 H+ + log_k -20.35 + delta_h 0 kcal +Cd+2 + 3 H2O = Cd(OH)3- + 3 H+ + log_k -33.3 + delta_h 0 kcal +Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+ + log_k -47.35 + delta_h 0 kcal +2 Cd+2 + H2O = Cd2OH+3 + H+ + log_k -9.39 + delta_h 10.899 kcal Cd+2 + H2O + Cl- = CdOHCl + H+ - log_k -7.404 - delta_h 4.355 kcal + log_k -7.404 + delta_h 4.355 kcal Cd+2 + NO3- = CdNO3+ - log_k 0.399 - delta_h -5.2 kcal + log_k 0.399 + delta_h -5.2 kcal Cd+2 + SO4-2 = CdSO4 - log_k 2.46 - delta_h 1.08 kcal + log_k 2.46 + delta_h 1.08 kcal Cd+2 + HS- = CdHS+ - log_k 10.17 - delta_h 0 kcal -Cd+2 + 2HS- = Cd(HS)2 - log_k 16.53 - delta_h 0 kcal -Cd+2 + 3HS- = Cd(HS)3- - log_k 18.71 - delta_h 0 kcal -Cd+2 + 4HS- = Cd(HS)4-2 - log_k 20.9 - delta_h 0 kcal + log_k 10.17 + delta_h 0 kcal +Cd+2 + 2 HS- = Cd(HS)2 + log_k 16.53 + delta_h 0 kcal +Cd+2 + 3 HS- = Cd(HS)3- + log_k 18.71 + delta_h 0 kcal +Cd+2 + 4 HS- = Cd(HS)4-2 + log_k 20.9 + delta_h 0 kcal Cd+2 + Br- = CdBr+ - log_k 2.17 - delta_h -0.81 kcal -Cd+2 + 2Br- = CdBr2 - log_k 2.899 - delta_h 0 kcal + log_k 2.17 + delta_h -0.81 kcal +Cd+2 + 2 Br- = CdBr2 + log_k 2.899 + delta_h 0 kcal Cd+2 + I- = CdI+ - log_k 2.15 - delta_h -2.37 kcal -Cd+2 + 2I- = CdI2 - log_k 3.59 - delta_h 0 kcal + log_k 2.15 + delta_h -2.37 kcal +Cd+2 + 2 I- = CdI2 + log_k 3.59 + delta_h 0 kcal Cd+2 + CO3-2 + H+ = CdHCO3+ - log_k 12.4 - delta_h 0 kcal + log_k 12.4 + delta_h 0 kcal Cd+2 + CO3-2 = CdCO3 - log_k 5.399 - delta_h 0 kcal -Cd+2 + 2SO4-2 = Cd(SO4)2-2 - log_k 3.5 - delta_h 0 kcal + log_k 5.399 + delta_h 0 kcal +Cd+2 + 2 SO4-2 = Cd(SO4)2-2 + log_k 3.5 + delta_h 0 kcal Pb+2 + Cl- = PbCl+ - log_k 1.6 - delta_h 4.38 kcal -Pb+2 + 2Cl- = PbCl2 - log_k 1.8 - delta_h 1.08 kcal -Pb+2 + 3Cl- = PbCl3- - log_k 1.699 - delta_h 2.17 kcal -Pb+2 + 4Cl- = PbCl4-2 - log_k 1.38 - delta_h 3.53 kcal -Pb+2 + 2CO3-2 = Pb(CO3)2-2 - log_k 10.64 - delta_h 0 kcal + log_k 1.6 + delta_h 4.38 kcal +Pb+2 + 2 Cl- = PbCl2 + log_k 1.8 + delta_h 1.08 kcal +Pb+2 + 3 Cl- = PbCl3- + log_k 1.699 + delta_h 2.17 kcal +Pb+2 + 4 Cl- = PbCl4-2 + log_k 1.38 + delta_h 3.53 kcal +Pb+2 + 2 CO3-2 = Pb(CO3)2-2 + log_k 10.64 + delta_h 0 kcal Pb+2 + F- = PbF+ - log_k 1.25 - delta_h 0 kcal -Pb+2 + 2F- = PbF2 - log_k 2.56 - delta_h 0 kcal -Pb+2 + 3F- = PbF3- - log_k 3.42 - delta_h 0 kcal -Pb+2 + 4F- = PbF4-2 - log_k 3.1 - delta_h 0 kcal + log_k 1.25 + delta_h 0 kcal +Pb+2 + 2 F- = PbF2 + log_k 2.56 + delta_h 0 kcal +Pb+2 + 3 F- = PbF3- + log_k 3.42 + delta_h 0 kcal +Pb+2 + 4 F- = PbF4-2 + log_k 3.1 + delta_h 0 kcal Pb+2 + H2O = PbOH+ + H+ - log_k -7.71 - delta_h 0 kcal -Pb+2 + 2H2O = Pb(OH)2 + 2H+ - log_k -17.12 - delta_h 0 kcal -Pb+2 + 3H2O = Pb(OH)3- + 3H+ - log_k -28.06 - delta_h 0 kcal -2Pb+2 + H2O = Pb2OH+3 + H+ - log_k -6.36 - delta_h 0 kcal + log_k -7.71 + delta_h 0 kcal +Pb+2 + 2 H2O = Pb(OH)2 + 2 H+ + log_k -17.12 + delta_h 0 kcal +Pb+2 + 3 H2O = Pb(OH)3- + 3 H+ + log_k -28.06 + delta_h 0 kcal +2 Pb+2 + H2O = Pb2OH+3 + H+ + log_k -6.36 + delta_h 0 kcal Pb+2 + NO3- = PbNO3+ - log_k 1.17 - delta_h 0 kcal + log_k 1.17 + delta_h 0 kcal Pb+2 + SO4-2 = PbSO4 - log_k 2.75 - delta_h 0 kcal -Pb+2 + 2HS- = Pb(HS)2 - log_k 15.27 - delta_h 0 kcal -Pb+2 + 3HS- = Pb(HS)3- - log_k 16.57 - delta_h 0 kcal -3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+ - log_k -23.88 - delta_h 26.5 kcal + log_k 2.75 + delta_h 0 kcal +Pb+2 + 2 HS- = Pb(HS)2 + log_k 15.27 + delta_h 0 kcal +Pb+2 + 3 HS- = Pb(HS)3- + log_k 16.57 + delta_h 0 kcal +3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+ + log_k -23.88 + delta_h 26.5 kcal Pb+2 + Br- = PbBr+ - log_k 1.77 - delta_h 2.88 kcal -Pb+2 + 2Br- = PbBr2 - log_k 1.44 - delta_h 0 kcal + log_k 1.77 + delta_h 2.88 kcal +Pb+2 + 2 Br- = PbBr2 + log_k 1.44 + delta_h 0 kcal Pb+2 + I- = PbI+ - log_k 1.94 - delta_h 0 kcal -Pb+2 + 2I- = PbI2 - log_k 3.199 - delta_h 0 kcal + log_k 1.94 + delta_h 0 kcal +Pb+2 + 2 I- = PbI2 + log_k 3.199 + delta_h 0 kcal Pb+2 + CO3-2 = PbCO3 - log_k 7.24 - delta_h 0 kcal -Pb+2 + 4H2O = Pb(OH)4-2 + 4H+ - log_k -39.699 - delta_h 0 kcal -Pb+2 + 2SO4-2 = Pb(SO4)2-2 - log_k 3.47 - delta_h 0 kcal + log_k 7.24 + delta_h 0 kcal +Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+ + log_k -39.699 + delta_h 0 kcal +Pb+2 + 2 SO4-2 = Pb(SO4)2-2 + log_k 3.47 + delta_h 0 kcal Pb+2 + CO3-2 + H+ = PbHCO3+ - log_k 13.2 - delta_h 0 kcal + log_k 13.2 + delta_h 0 kcal Ni+2 + Br- = NiBr+ - log_k 0.5 - delta_h 0 kcal + log_k 0.5 + delta_h 0 kcal Ni+2 + Cl- = NiCl+ - log_k 0.399 - delta_h 0 kcal + log_k 0.399 + delta_h 0 kcal Ni+2 + F- = NiF+ - log_k 1.3 - delta_h 0 kcal + log_k 1.3 + delta_h 0 kcal Ni+2 + H2O = NiOH+ + H+ - log_k -9.86 - delta_h 12.42 kcal -Ni+2 + 2H2O = Ni(OH)2 + 2H+ - log_k -19 - delta_h 0 kcal -Ni+2 + 3H2O = Ni(OH)3- + 3H+ - log_k -30 - delta_h 0 kcal + log_k -9.86 + delta_h 12.42 kcal +Ni+2 + 2 H2O = Ni(OH)2 + 2 H+ + log_k -19 + delta_h 0 kcal +Ni+2 + 3 H2O = Ni(OH)3- + 3 H+ + log_k -30 + delta_h 0 kcal Ni+2 + SO4-2 = NiSO4 - log_k 2.29 - delta_h 1.52 kcal -Ni+2 + 2Cl- = NiCl2 - log_k 0.96 - delta_h 0 kcal + log_k 2.29 + delta_h 1.52 kcal +Ni+2 + 2 Cl- = NiCl2 + log_k 0.96 + delta_h 0 kcal Ni+2 + CO3-2 + H+ = NiHCO3+ - log_k 12.47 - delta_h 0 kcal + log_k 12.47 + delta_h 0 kcal Ni+2 + CO3-2 = NiCO3 - log_k 6.87 - delta_h 0 kcal -Ni+2 + 2CO3-2 = Ni(CO3)2-2 - log_k 10.11 - delta_h 0 kcal -Ni+2 + 2SO4-2 = Ni(SO4)2-2 - log_k 1.02 - delta_h 0 kcal + log_k 6.87 + delta_h 0 kcal +Ni+2 + 2 CO3-2 = Ni(CO3)2-2 + log_k 10.11 + delta_h 0 kcal +Ni+2 + 2 SO4-2 = Ni(SO4)2-2 + log_k 1.02 + delta_h 0 kcal Ni+2 + Acetate- = NiAcetate+ - log_k 1.43 - delta_h 0 kcal + log_k 1.43 + delta_h 0 kcal Ni+2 + Glycine- = NiGlycine+ - log_k 6.18 - delta_h 0 kcal -2Ni+2 + Glycine- = Ni2Glycine+3 - log_k 11.13 - delta_h 0 kcal + log_k 6.18 + delta_h 0 kcal +2 Ni+2 + Glycine- = Ni2Glycine+3 + log_k 11.13 + delta_h 0 kcal Ni+2 + Salicylate-2 = NiSalicylate - log_k 6.95 - delta_h 0 kcal -2Ni+2 + Salicylate-2 = Ni2Salicylate+2 - log_k 11.75 - delta_h 0 kcal + log_k 6.95 + delta_h 0 kcal +2 Ni+2 + Salicylate-2 = Ni2Salicylate+2 + log_k 11.75 + delta_h 0 kcal Ni+2 + Glutamate-2 = NiGlutamate - log_k 5.9 - delta_h 0 kcal -2Ni+2 + Glutamate-2 = Ni2Glutamate+2 - log_k 10.34 - delta_h 0 kcal + log_k 5.9 + delta_h 0 kcal +2 Ni+2 + Glutamate-2 = Ni2Glutamate+2 + log_k 10.34 + delta_h 0 kcal Ni+2 + Phthalate-2 = NiPhthalate - log_k 2.95 - delta_h 0 kcal + log_k 2.95 + delta_h 0 kcal Ag+ + Br- = AgBr - log_k 4.24 - delta_h 0 kcal -Ag+ + 2Br- = AgBr2- - log_k 7.28 - delta_h 0 kcal + log_k 4.24 + delta_h 0 kcal +Ag+ + 2 Br- = AgBr2- + log_k 7.28 + delta_h 0 kcal Ag+ + Cl- = AgCl - log_k 3.27 - delta_h -2.68 kcal -Ag+ + 2Cl- = AgCl2- - log_k 5.27 - delta_h -3.93 kcal -Ag+ + 3Cl- = AgCl3-2 - log_k 5.29 - delta_h 0 kcal -Ag+ + 4Cl- = AgCl4-3 - log_k 5.51 - delta_h 0 kcal + log_k 3.27 + delta_h -2.68 kcal +Ag+ + 2 Cl- = AgCl2- + log_k 5.27 + delta_h -3.93 kcal +Ag+ + 3 Cl- = AgCl3-2 + log_k 5.29 + delta_h 0 kcal +Ag+ + 4 Cl- = AgCl4-3 + log_k 5.51 + delta_h 0 kcal Ag+ + F- = AgF - log_k 0.36 - delta_h -2.83 kcal + log_k 0.36 + delta_h -2.83 kcal Ag+ + HS- = AgHS - log_k 14.05 - delta_h 0 kcal -Ag+ + 2HS- = Ag(HS)2- - log_k 18.45 - delta_h 0 kcal + log_k 14.05 + delta_h 0 kcal +Ag+ + 2 HS- = Ag(HS)2- + log_k 18.45 + delta_h 0 kcal Ag+ + I- = AgI - log_k 6.6 - delta_h 0 kcal -Ag+ + 2I- = AgI2- - log_k 10.68 - delta_h 0 kcal + log_k 6.6 + delta_h 0 kcal +Ag+ + 2 I- = AgI2- + log_k 10.68 + delta_h 0 kcal Ag+ + H2O = AgOH + H+ - log_k -12 - delta_h 0 kcal -Ag+ + 2H2O = Ag(OH)2- + 2H+ - log_k -24 - delta_h 0 kcal + log_k -12 + delta_h 0 kcal +Ag+ + 2 H2O = Ag(OH)2- + 2 H+ + log_k -24 + delta_h 0 kcal Ag+ + SO4-2 = AgSO4- - log_k 1.29 - delta_h 1.49 kcal + log_k 1.29 + delta_h 1.49 kcal Ag+ + NO3- = AgNO3 - log_k -0.29 - delta_h 0 kcal -Ag+ + 2NO2- = Ag(NO2)2- - log_k 2.22 - delta_h 0 kcal -Ag+ + 3Br- = AgBr3-2 - log_k 8.71 - delta_h 0 kcal -Ag+ + 3I- = AgI3-2 - log_k 13.37 - delta_h -27.03 kcal -Ag+ + 4I- = AgI4-3 - log_k 14.08 - delta_h 0 kcal -Ag+ + 2HS- = Ag(S4)2-3 + 2H+ - log_k 0.991 - delta_h 0 kcal - -gamma 22 0 + log_k -0.29 + delta_h 0 kcal +Ag+ + 2 NO2- = Ag(NO2)2- + log_k 2.22 + delta_h 0 kcal +Ag+ + 3 Br- = AgBr3-2 + log_k 8.71 + delta_h 0 kcal +Ag+ + 3 I- = AgI3-2 + log_k 13.37 + delta_h -27.03 kcal +Ag+ + 4 I- = AgI4-3 + log_k 14.08 + delta_h 0 kcal +Ag+ + 2 HS- = Ag(S4)2-3 + 2 H+ + log_k 0.991 + delta_h 0 kcal + -gamma 22 0 -no_check -mass_balance Ag(S(-2)4)2 -Ag+ + 2HS- = AgS4S5-3 + 2H+ - log_k 0.68 - delta_h 0 kcal - -gamma 24 0 +Ag+ + 2 HS- = AgS4S5-3 + 2 H+ + log_k 0.68 + delta_h 0 kcal + -gamma 24 0 -no_check -mass_balance AgS(-2)4S(-2)5 -Ag+ + 2HS- = Ag(HS)S4-2 + H+ - log_k 10.431 - delta_h 0 kcal - -gamma 15 0 +Ag+ + 2 HS- = Ag(HS)S4-2 + H+ + log_k 10.431 + delta_h 0 kcal + -gamma 15 0 -no_check -mass_balance Ag(HS(-2))S(-2)4 H3AsO3 = H2AsO3- + H+ - log_k -9.228 - delta_h 6.56 kcal -H3AsO3 = HAsO3-2 + 2H+ - log_k -21.33 - delta_h 14.199 kcal -H3AsO3 = AsO3-3 + 3H+ - log_k -34.744 - delta_h 20.25 kcal + log_k -9.228 + delta_h 6.56 kcal +H3AsO3 = HAsO3-2 + 2 H+ + log_k -21.33 + delta_h 14.199 kcal +H3AsO3 = AsO3-3 + 3 H+ + log_k -34.744 + delta_h 20.25 kcal H3AsO3 + H+ = H4AsO3+ - log_k -0.305 - delta_h 0 kcal + log_k -0.305 + delta_h 0 kcal H3AsO4 = H2AsO4- + H+ - log_k -2.243 - delta_h -1.69 kcal -H3AsO4 = HAsO4-2 + 2H+ - log_k -9.001 - delta_h -0.92 kcal -H3AsO4 = AsO4-3 + 3H+ - log_k -20.597 - delta_h 3.43 kcal + log_k -2.243 + delta_h -1.69 kcal +H3AsO4 = HAsO4-2 + 2 H+ + log_k -9.001 + delta_h -0.92 kcal +H3AsO4 = AsO4-3 + 3 H+ + log_k -20.597 + delta_h 3.43 kcal Sb(OH)3 = HSbO2 + H2O - log_k -0.0073 - delta_h -0.015 kcal -Sb(OH)3 + F- + H+ = SbOF + 2H2O - log_k 6.1864 - delta_h 0 kcal + log_k -0.0073 + delta_h -0.015 kcal +Sb(OH)3 + F- + H+ = SbOF + 2 H2O + log_k 6.1864 + delta_h 0 kcal Sb(OH)3 + F- + H+ = Sb(OH)2F + H2O - log_k 6.1937 - delta_h 0 kcal -Sb(OH)3 + H+ = SbO+ + 2H2O - log_k 0.9228 - delta_h 1.97 kcal + log_k 6.1937 + delta_h 0 kcal +Sb(OH)3 + H+ = SbO+ + 2 H2O + log_k 0.9228 + delta_h 1.97 kcal Sb(OH)3 = SbO2- + H2O + H+ - log_k -11.8011 - delta_h 16.775 kcal + log_k -11.8011 + delta_h 16.775 kcal Sb(OH)3 + H+ = Sb(OH)2+ + H2O - log_k 1.3853 - delta_h 0 kcal -2Sb(OH)3 + 4HS- + 2H+ = Sb2S4-2 + 6H2O - log_k 49.3005 - delta_h -75.68 kcal -Sb(OH)6- = SbO3- + 3H2O - log_k 2.9319 - delta_h 0 kcal -Sb(OH)6- + 2H+ = SbO2+ + 4H2O - log_k 2.3895 - delta_h 0 kcal + log_k 1.3853 + delta_h 0 kcal +2 Sb(OH)3 + 4 HS- + 2 H+ = Sb2S4-2 + 6 H2O + log_k 49.3005 + delta_h -75.68 kcal +Sb(OH)6- = SbO3- + 3 H2O + log_k 2.9319 + delta_h 0 kcal +Sb(OH)6- + 2 H+ = SbO2+ + 4 H2O + log_k 2.3895 + delta_h 0 kcal Sb(OH)3 + H2O = Sb(OH)4- + H+ - log_k -12.0429 - delta_h 16.695 kcal + log_k -12.0429 + delta_h 16.695 kcal CO3-2 + H+ = HCO3- - log_k 10.33 - delta_h -3.617 kcal - -gamma 5.4 0 - -analytical -6.498 0.02379 2902.39 -CO3-2 + 2H+ = H2CO3 - log_k 16.681 - delta_h -2.247 kcal + log_k 10.33 + delta_h -3.617 kcal + -gamma 5.4 0 + -analytical -6.498 0.02379 2902.39 +CO3-2 + 2 H+ = H2CO3 + log_k 16.681 + delta_h -2.247 kcal SO4-2 + H+ = HSO4- - log_k 1.987 - delta_h 4.91 kcal - -gamma 4.5 0 - -analytical -5.3505 0.0183412 557.2461 + log_k 1.987 + delta_h 4.91 kcal + -gamma 4.5 0 + -analytical -5.3505 0.0183412 557.2461 F- + H+ = HF - log_k 3.169 - delta_h 3.46 kcal -2F- + H+ = HF2- - log_k 3.749 - delta_h 4.55 kcal - -gamma 3.5 0 -2F- + 2H+ = H2F2 - log_k 6.768 - delta_h 0 kcal + log_k 3.169 + delta_h 3.46 kcal +2 F- + H+ = HF2- + log_k 3.749 + delta_h 4.55 kcal + -gamma 3.5 0 +2 F- + 2 H+ = H2F2 + log_k 6.768 + delta_h 0 kcal PO4-3 + H+ = HPO4-2 - log_k 12.346 - delta_h -3.53 kcal - -gamma 5 0 -PO4-3 + 2H+ = H2PO4- - log_k 19.553 - delta_h -4.52 kcal - -gamma 5.4 0 -PO4-3 + 3H+ = H3PO4 - log_k 21.7 - delta_h 0 kcal + log_k 12.346 + delta_h -3.53 kcal + -gamma 5 0 +PO4-3 + 2 H+ = H2PO4- + log_k 19.553 + delta_h -4.52 kcal + -gamma 5.4 0 +PO4-3 + 3 H+ = H3PO4 + log_k 21.7 + delta_h 0 kcal HS- + H+ = H2S - log_k 6.994 - delta_h -5.3 kcal - -analytical -11.17 0.02386 3279.0 + log_k 6.994 + delta_h -5.3 kcal + -analytical -11.17 0.02386 3279 HS- = S-2 + H+ - log_k -12.918 - delta_h 12.1 kcal - -gamma 5 0 + log_k -12.918 + delta_h 12.1 kcal + -gamma 5 0 U+4 + H2O = UOH+3 + H+ - log_k -0.656 - delta_h 11.715 kcal - -analytical -9.16 0.0285 -U+4 + 2H2O = U(OH)2+2 + 2H+ - log_k -2.27 - delta_h 17.73 kcal -U+4 + 3H2O = U(OH)3+ + 3H+ - log_k -4.935 - delta_h 22.645 kcal -U+4 + 4H2O = U(OH)4 + 4H+ - log_k -8.498 - delta_h 24.76 kcal -U+4 + 5H2O = U(OH)5- + 5H+ - log_k -13.12 - delta_h 27.575 kcal -6U+4 + 15H2O = U6(OH)15+9 + 15H+ - log_k -17.229 - delta_h 0 kcal + log_k -0.656 + delta_h 11.715 kcal + -analytical -9.16 0.0285 +U+4 + 2 H2O = U(OH)2+2 + 2 H+ + log_k -2.27 + delta_h 17.73 kcal +U+4 + 3 H2O = U(OH)3+ + 3 H+ + log_k -4.935 + delta_h 22.645 kcal +U+4 + 4 H2O = U(OH)4 + 4 H+ + log_k -8.498 + delta_h 24.76 kcal +U+4 + 5 H2O = U(OH)5- + 5 H+ + log_k -13.12 + delta_h 27.575 kcal +6 U+4 + 15 H2O = U6(OH)15+9 + 15 H+ + log_k -17.229 + delta_h 0 kcal U+4 + F- = UF+3 - log_k 8.659 - delta_h 5.05 kcal -U+4 + 2F- = UF2+2 - log_k 14.457 - delta_h 7.2 kcal -U+4 + 3F- = UF3+ - log_k 19.115 - delta_h 7.15 kcal -U+4 + 4F- = UF4 - log_k 23.64 - delta_h 4.6 kcal -U+4 + 5F- = UF5- - log_k 25.238 - delta_h 4.85 kcal -U+4 + 6F- = UF6-2 - log_k 27.718 - delta_h 3.3 kcal + log_k 8.659 + delta_h 5.05 kcal +U+4 + 2 F- = UF2+2 + log_k 14.457 + delta_h 7.2 kcal +U+4 + 3 F- = UF3+ + log_k 19.115 + delta_h 7.15 kcal +U+4 + 4 F- = UF4 + log_k 23.64 + delta_h 4.6 kcal +U+4 + 5 F- = UF5- + log_k 25.238 + delta_h 4.85 kcal +U+4 + 6 F- = UF6-2 + log_k 27.718 + delta_h 3.3 kcal U+4 + Cl- = UCl+3 - log_k 1.338 - delta_h 9.933 kcal + log_k 1.338 + delta_h 9.933 kcal U+4 + SO4-2 = USO4+2 - log_k 5.461 - delta_h 3.7 kcal -U+4 + 2SO4-2 = U(SO4)2 - log_k 9.749 - delta_h 7.6 kcal + log_k 5.461 + delta_h 3.7 kcal +U+4 + 2 SO4-2 = U(SO4)2 + log_k 9.749 + delta_h 7.6 kcal U+4 + PO4-3 + H+ = UHPO4+2 - log_k 24.443 - delta_h 7.5 kcal -U+4 + 2PO4-3 + 2H+ = U(HPO4)2 - log_k 46.833 - delta_h 1.7 kcal -U+4 + 3PO4-3 + 3H+ = U(HPO4)3-2 - log_k 67.564 - delta_h -7.8 kcal -U+4 + 4PO4-3 + 4H+ = U(HPO4)4-4 - log_k 88.483 - delta_h -26.5 kcal + log_k 24.443 + delta_h 7.5 kcal +U+4 + 2 PO4-3 + 2 H+ = U(HPO4)2 + log_k 46.833 + delta_h 1.7 kcal +U+4 + 3 PO4-3 + 3 H+ = U(HPO4)3-2 + log_k 67.564 + delta_h -7.8 kcal +U+4 + 4 PO4-3 + 4 H+ = U(HPO4)4-4 + log_k 88.483 + delta_h -26.5 kcal UO2+2 + H2O = UO2OH+ + H+ - log_k -5.09 - delta_h 10.216 kcal -2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+ - log_k -5.645 - delta_h 10.23 kcal -3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+ - log_k -15.593 - delta_h 25.075 kcal + log_k -5.09 + delta_h 10.216 kcal +2 UO2+2 + 2 H2O = (UO2)2(OH)2+2 + 2 H+ + log_k -5.645 + delta_h 10.23 kcal +3 UO2+2 + 5 H2O = (UO2)3(OH)5+ + 5 H+ + log_k -15.593 + delta_h 25.075 kcal UO2+2 + CO3-2 = UO2CO3 - log_k 10.071 - delta_h 0.84 kcal - -analytical -9.56 0.03434 2809.0 -UO2+2 + 2CO3-2 = UO2(CO3)2-2 - log_k 17.008 - delta_h 3.48 kcal - -analytical 14.14 0.0096 -UO2+2 + 3CO3-2 = UO2(CO3)3-4 - log_k 21.384 - delta_h -8.78 kcal + log_k 10.071 + delta_h 0.84 kcal + -analytical -9.56 0.03434 2809 +UO2+2 + 2 CO3-2 = UO2(CO3)2-2 + log_k 17.008 + delta_h 3.48 kcal + -analytical 14.14 0.0096 +UO2+2 + 3 CO3-2 = UO2(CO3)3-4 + log_k 21.384 + delta_h -8.78 kcal UO2+2 + F- = UO2F+ - log_k 5.105 - delta_h -0.45 kcal -UO2+2 + 2F- = UO2F2 - log_k 8.92 - delta_h -0.9 kcal -UO2+2 + 3F- = UO2F3- - log_k 11.364 - delta_h -0.85 kcal -UO2+2 + 4F- = UO2F4-2 - log_k 12.607 - delta_h -1.1 kcal + log_k 5.105 + delta_h -0.45 kcal +UO2+2 + 2 F- = UO2F2 + log_k 8.92 + delta_h -0.9 kcal +UO2+2 + 3 F- = UO2F3- + log_k 11.364 + delta_h -0.85 kcal +UO2+2 + 4 F- = UO2F4-2 + log_k 12.607 + delta_h -1.1 kcal UO2+2 + Cl- = UO2Cl+ - log_k 0.22 - delta_h 1.233 kcal + log_k 0.22 + delta_h 1.233 kcal UO2+2 + SO4-2 = UO2SO4 - log_k 2.709 - delta_h 5.1 kcal -# Minteq a_e has more constants than phreeqc, can not use + log_k 2.709 + delta_h 5.1 kcal +# Minteq a_e has more constants than phreeqc, can not use # -analytical 11.384 -0.07088 0.0 0.0 1.40277E-4 -UO2+2 + 2SO4-2 = UO2(SO4)2-2 - log_k 4.183 - delta_h 6.1 kcal -# Minteq a_e has more constants than phreeqc, can not use +UO2+2 + 2 SO4-2 = UO2(SO4)2-2 + log_k 4.183 + delta_h 6.1 kcal +# Minteq a_e has more constants than phreeqc, can not use # -analytical 12.130 -0.068297 0.0 0.0 1.3987E-04 UO2+2 + PO4-3 + H+ = UO2HPO4 - log_k 20.814 - delta_h -2.1 kcal -UO2+2 + 2PO4-3 + 2H+ = UO2(HPO4)2-2 - log_k 42.988 + log_k 20.814 + delta_h -2.1 kcal +UO2+2 + 2 PO4-3 + 2 H+ = UO2(HPO4)2-2 + log_k 42.988 delta_h -11.399 kcal -UO2+2 + PO4-3 + 2H+ = UO2H2PO4+ - log_k 22.643 - delta_h -3.7 kcal -UO2+2 + 2PO4-3 + 4H+ = UO2(H2PO4)2 - log_k 44.7 - delta_h -16.5 kcal -UO2+2 + 3PO4-3 + 6H+ = UO2(H2PO4)3- - log_k 66.245 - delta_h -28.6 kcal +UO2+2 + PO4-3 + 2 H+ = UO2H2PO4+ + log_k 22.643 + delta_h -3.7 kcal +UO2+2 + 2 PO4-3 + 4 H+ = UO2(H2PO4)2 + log_k 44.7 + delta_h -16.5 kcal +UO2+2 + 3 PO4-3 + 6 H+ = UO2(H2PO4)3- + log_k 66.245 + delta_h -28.6 kcal UO2+2 + H4SiO4 = UO2H3SiO4+ + H+ - log_k -2.4 - delta_h 0 kcal -HS- = S2-2 + H+ - log_k -14.528 - delta_h 11.4 kcal + log_k -2.4 + delta_h 0 kcal +HS- = S2-2 + H+ + log_k -14.528 + delta_h 11.4 kcal -no_check -mass_balance S(-2)2 -HS- = S3-2 + H+ - log_k -13.282 - delta_h 10.4 kcal +HS- = S3-2 + H+ + log_k -13.282 + delta_h 10.4 kcal -no_check -mass_balance S(-2)3 -HS- = S4-2 + H+ - log_k -9.829 - delta_h 9.7 kcal +HS- = S4-2 + H+ + log_k -9.829 + delta_h 9.7 kcal -no_check -mass_balance S(-2)4 -HS- = S5-2 + H+ - log_k -9.595 - delta_h 9.3 kcal +HS- = S5-2 + H+ + log_k -9.595 + delta_h 9.3 kcal -no_check -mass_balance S(-2)5 -HS- = S6-2 + H+ - log_k -9.881 - delta_h 0 kcal +HS- = S6-2 + H+ + log_k -9.881 + delta_h 0 kcal -no_check -mass_balance S(-2)6 V+2 + H2O = VOH+ + H+ - log_k -5.64 - delta_h 0 kcal + log_k -5.64 + delta_h 0 kcal V+3 + H2O = VOH+2 + H+ - log_k -2.3 - delta_h 9.35 kcal -V+3 + 2H2O = V(OH)2+ + 2H+ - log_k -5.83 - delta_h 0 kcal -V+3 + 3H2O = V(OH)3 + 3H+ - log_k -11.02 - delta_h 0 kcal + log_k -2.3 + delta_h 9.35 kcal +V+3 + 2 H2O = V(OH)2+ + 2 H+ + log_k -5.83 + delta_h 0 kcal +V+3 + 3 H2O = V(OH)3 + 3 H+ + log_k -11.02 + delta_h 0 kcal V+3 + SO4-2 = VSO4+ - log_k 1.44 - delta_h 0 kcal -2V+3 + 3H2O = V2(OH)3+3 + 3H+ - log_k -7.5 - delta_h 0 kcal -2V+3 + 2H2O = V2(OH)2+4 + 2H+ - log_k -3.75 - delta_h 0 kcal -VO+2 + 2H2O = V(OH)3+ + H+ - log_k -5.67 - delta_h 0 kcal -2VO+2 + 2H2O = H2V2O4+2 + 2H+ - log_k -6.44 - delta_h 0 kcal + log_k 1.44 + delta_h 0 kcal +2 V+3 + 3 H2O = V2(OH)3+3 + 3 H+ + log_k -7.5 + delta_h 0 kcal +2 V+3 + 2 H2O = V2(OH)2+4 + 2 H+ + log_k -3.75 + delta_h 0 kcal +VO+2 + 2 H2O = V(OH)3+ + H+ + log_k -5.67 + delta_h 0 kcal +2 VO+2 + 2 H2O = H2V2O4+2 + 2 H+ + log_k -6.44 + delta_h 0 kcal VO+2 + F- = VOF+ - log_k 3.34 - delta_h 1.9 kcal -VO+2 + 2F- = VOF2 - log_k 5.74 - delta_h 3.5 kcal -VO+2 + 3F- = VOF3- - log_k 7.3 - delta_h 4.9 kcal -VO+2 + 4F- = VOF4-2 - log_k 8.11 - delta_h 6.4 kcal + log_k 3.34 + delta_h 1.9 kcal +VO+2 + 2 F- = VOF2 + log_k 5.74 + delta_h 3.5 kcal +VO+2 + 3 F- = VOF3- + log_k 7.3 + delta_h 4.9 kcal +VO+2 + 4 F- = VOF4-2 + log_k 8.11 + delta_h 6.4 kcal VO+2 + SO4-2 = VOSO4 - log_k 2.45 - delta_h 3.72 kcal + log_k 2.45 + delta_h 3.72 kcal VO+2 + Cl- = VOCl+ - log_k 0.02 - delta_h 0 kcal -VO2+ + 2H2O = H3VO4 + H+ - log_k -3.3 - delta_h 10.63 kcal -VO2+ + 2H2O = H2VO4- + 2H+ - log_k -7.09 - delta_h 11.33 kcal -VO2+ + 2H2O = HVO4-2 + 3H+ - log_k -15.15 - delta_h 14.93 kcal -VO2+ + 2H2O = VO4-3 + 4H+ - log_k -28.4 - delta_h 19.53 kcal -2VO2+ + 3H2O = V2O7-4 + 6H+ - log_k -29.08 - delta_h 0 kcal -2VO2+ + 3H2O = HV2O7-3 + 5H+ - log_k -16.32 - delta_h 0 kcal -2VO2+ + 3H2O = H3V2O7- + 3H+ - log_k -3.79 - delta_h 0 kcal -3VO2+ + 3H2O = V3O9-3 + 6H+ - log_k -15.88 - delta_h 0 kcal -4VO2+ + 4H2O = V4O12-4 + 8H+ - log_k -20.79 - delta_h 0 kcal -10VO2+ + 8H2O = V10O28-6 + 16H+ - log_k -17.53 - delta_h 0 kcal -10VO2+ + 8H2O = HV10O28-5 + 15H+ - log_k -11.35 - delta_h 21.52 kcal -10VO2+ + 8H2O = H2V10O28-4 + 14H+ - log_k -7.71 - delta_h 0 kcal + log_k 0.02 + delta_h 0 kcal +VO2+ + 2 H2O = H3VO4 + H+ + log_k -3.3 + delta_h 10.63 kcal +VO2+ + 2 H2O = H2VO4- + 2 H+ + log_k -7.09 + delta_h 11.33 kcal +VO2+ + 2 H2O = HVO4-2 + 3 H+ + log_k -15.15 + delta_h 14.93 kcal +VO2+ + 2 H2O = VO4-3 + 4 H+ + log_k -28.4 + delta_h 19.53 kcal +2 VO2+ + 3 H2O = V2O7-4 + 6 H+ + log_k -29.08 + delta_h 0 kcal +2 VO2+ + 3 H2O = HV2O7-3 + 5 H+ + log_k -16.32 + delta_h 0 kcal +2 VO2+ + 3 H2O = H3V2O7- + 3 H+ + log_k -3.79 + delta_h 0 kcal +3 VO2+ + 3 H2O = V3O9-3 + 6 H+ + log_k -15.88 + delta_h 0 kcal +4 VO2+ + 4 H2O = V4O12-4 + 8 H+ + log_k -20.79 + delta_h 0 kcal +10 VO2+ + 8 H2O = V10O28-6 + 16 H+ + log_k -17.53 + delta_h 0 kcal +10 VO2+ + 8 H2O = HV10O28-5 + 15 H+ + log_k -11.35 + delta_h 21.52 kcal +10 VO2+ + 8 H2O = H2V10O28-4 + 14 H+ + log_k -7.71 + delta_h 0 kcal VO2+ + F- = VO2F - log_k 3.12 - delta_h 0 kcal -VO2+ + 2F- = VO2F2- - log_k 5.67 - delta_h 0 kcal -VO2+ + 3F- = VO2F3-2 - log_k 6.97 - delta_h 0 kcal -VO2+ + 4F- = VO2F4-3 - log_k 7.07 - delta_h 0 kcal + log_k 3.12 + delta_h 0 kcal +VO2+ + 2 F- = VO2F2- + log_k 5.67 + delta_h 0 kcal +VO2+ + 3 F- = VO2F3-2 + log_k 6.97 + delta_h 0 kcal +VO2+ + 4 F- = VO2F4-3 + log_k 7.07 + delta_h 0 kcal VO2+ + SO4-2 = VO2SO4- - log_k 1.71 - delta_h 0 kcal + log_k 1.71 + delta_h 0 kcal VO2+ + NO3- = VO2NO3 - log_k -0.43 - delta_h 0 kcal + log_k -0.43 + delta_h 0 kcal Tl+ + H2O = TlOH + H+ - log_k -13.1717 - delta_h 13.935 kcal + log_k -13.1717 + delta_h 13.935 kcal Tl+ + F- = TlF - log_k -0.4251 - delta_h 0 kcal + log_k -0.4251 + delta_h 0 kcal Tl+ + Cl- = TlCl - log_k 0.6824 - delta_h -1.147 kcal -Tl+ + 2Cl- = TlCl2- - log_k 0.2434 - delta_h 0 kcal + log_k 0.6824 + delta_h -1.147 kcal +Tl+ + 2 Cl- = TlCl2- + log_k 0.2434 + delta_h 0 kcal Tl+ + Br- = TlBr - log_k 0.9477 - delta_h -2.461 kcal -Tl+ + 2Br- = TlBr2- - log_k 0.9719 - delta_h 2.998 kcal + log_k 0.9477 + delta_h -2.461 kcal +Tl+ + 2 Br- = TlBr2- + log_k 0.9719 + delta_h 2.998 kcal Tl+ + Br- + Cl- = TlBrCl- - log_k 0.8165 - delta_h 0 kcal + log_k 0.8165 + delta_h 0 kcal Tl+ + I- = TlI - log_k 1.4279 - delta_h 0 kcal -Tl+ + 2I- = TlI2- - log_k 1.8588 - delta_h 0 kcal + log_k 1.4279 + delta_h 0 kcal +Tl+ + 2 I- = TlI2- + log_k 1.8588 + delta_h 0 kcal Tl+ + I- + Br- = TlIBr- - log_k 2.185 - delta_h 0 kcal + log_k 2.185 + delta_h 0 kcal Tl+ + SO4-2 = TlSO4- - log_k 1.3853 - delta_h -0.22 kcal + log_k 1.3853 + delta_h -0.22 kcal Tl+ + NO3- = TlNO3 - log_k 0.3665 - delta_h -0.65 kcal + log_k 0.3665 + delta_h -0.65 kcal Tl+ + NO2- = TlNO2 - log_k 0.9969 - delta_h 0 kcal + log_k 0.9969 + delta_h 0 kcal Tl+ + HS- = TlHS - log_k 1.8178 - delta_h 0 kcal -2Tl+ + HS- = Tl2HS+ - log_k 7.6979 - delta_h 0 kcal -2Tl+ + 3HS- + H2O = Tl2OH(HS)3-2 + H+ - log_k 1.0044 - delta_h 0 kcal -2Tl+ + 2HS- + 2H2O = Tl2(OH)2(HS)2-2 + 2H+ - log_k -11.0681 - delta_h 0 kcal -Tl(OH)3 + 3H+ = Tl+3 + 3H2O - log_k 4.7424 - delta_h 0 kcal -Tl(OH)3 + 2H+ = TlOH+2 + 2H2O - log_k 3.577 - delta_h 0 kcal + log_k 1.8178 + delta_h 0 kcal +2 Tl+ + HS- = Tl2HS+ + log_k 7.6979 + delta_h 0 kcal +2 Tl+ + 3 HS- + H2O = Tl2OH(HS)3-2 + H+ + log_k 1.0044 + delta_h 0 kcal +2 Tl+ + 2 HS- + 2 H2O = Tl2(OH)2(HS)2-2 + 2 H+ + log_k -11.0681 + delta_h 0 kcal +Tl(OH)3 + 3 H+ = Tl+3 + 3 H2O + log_k 4.7424 + delta_h 0 kcal +Tl(OH)3 + 2 H+ = TlOH+2 + 2 H2O + log_k 3.577 + delta_h 0 kcal Tl(OH)3 + H+ = Tl(OH)2+ + H2O - log_k 2.1183 - delta_h 0 kcal + log_k 2.1183 + delta_h 0 kcal Tl(OH)3 + H2O = Tl(OH)4- + H+ - log_k -10.2545 - delta_h 0 kcal -Tl(OH)3 + Cl- + 3H+ = TlCl+2 + 3H2O - log_k 12.2342 - delta_h 0 kcal -Tl(OH)3 + 2Cl- + 3H+ = TlCl2+ + 3H2O - log_k 18.0402 - delta_h 0 kcal -Tl(OH)3 + 3Cl- + 3H+ = TlCl3 + 3H2O - log_k 21.4273 - delta_h 0 kcal -Tl(OH)3 + 4Cl- + 3H+ = TlCl4- + 3H2O - log_k 24.2281 - delta_h 0 kcal -Tl(OH)3 + Br- + 3H+ = TlBr+2 + 3H2O - log_k 14.2221 - delta_h 0 kcal -Tl(OH)3 + 2Br- + 3H+ = TlBr2+ + 3H2O - log_k 21.5761 - delta_h 0 kcal -Tl(OH)3 + 3Br- + 3H+ = TlBr3 + 3H2O - log_k 27.0244 - delta_h 0 kcal -Tl(OH)3 + 4Br- + 3H+ = TlBr4- + 3H2O - log_k 31.1533 - delta_h 0 kcal -Tl(OH)3 + 4I- + 3H+ = TlI4- + 3H2O - log_k 34.7596 - delta_h 0 kcal -Tl(OH)3 + NO3- + 3H+ = TlNO3+2 + 3H2O - log_k 7.0073 - delta_h 0 kcal -Tl(OH)3 + Cl- + 2H+ = TlOHCl+ + 2H2O - log_k 10.629 - delta_h 0 kcal + log_k -10.2545 + delta_h 0 kcal +Tl(OH)3 + Cl- + 3 H+ = TlCl+2 + 3 H2O + log_k 12.2342 + delta_h 0 kcal +Tl(OH)3 + 2 Cl- + 3 H+ = TlCl2+ + 3 H2O + log_k 18.0402 + delta_h 0 kcal +Tl(OH)3 + 3 Cl- + 3 H+ = TlCl3 + 3 H2O + log_k 21.4273 + delta_h 0 kcal +Tl(OH)3 + 4 Cl- + 3 H+ = TlCl4- + 3 H2O + log_k 24.2281 + delta_h 0 kcal +Tl(OH)3 + Br- + 3 H+ = TlBr+2 + 3 H2O + log_k 14.2221 + delta_h 0 kcal +Tl(OH)3 + 2 Br- + 3 H+ = TlBr2+ + 3 H2O + log_k 21.5761 + delta_h 0 kcal +Tl(OH)3 + 3 Br- + 3 H+ = TlBr3 + 3 H2O + log_k 27.0244 + delta_h 0 kcal +Tl(OH)3 + 4 Br- + 3 H+ = TlBr4- + 3 H2O + log_k 31.1533 + delta_h 0 kcal +Tl(OH)3 + 4 I- + 3 H+ = TlI4- + 3 H2O + log_k 34.7596 + delta_h 0 kcal +Tl(OH)3 + NO3- + 3 H+ = TlNO3+2 + 3 H2O + log_k 7.0073 + delta_h 0 kcal +Tl(OH)3 + Cl- + 2 H+ = TlOHCl+ + 2 H2O + log_k 10.629 + delta_h 0 kcal HSe- = Se-2 + H+ - log_k -14.9529 - delta_h 11.5 kcal + log_k -14.9529 + delta_h 11.5 kcal HSe- + H+ = H2Se - log_k 3.8115 - delta_h 0.8 kcal + log_k 3.8115 + delta_h 0.8 kcal HSe- + Mn+2 = MnSe + H+ - log_k -6.7435 - delta_h 0 kcal -HSe- + 2Ag+ = Ag2Se + H+ - log_k 34.0677 - delta_h 0 kcal -2HSe- + Ag+ + H2O = AgOH(Se)2-4 + 3H+ - log_k -18.6237 - delta_h 0 kcal + log_k -6.7435 + delta_h 0 kcal +HSe- + 2 Ag+ = Ag2Se + H+ + log_k 34.0677 + delta_h 0 kcal +2 HSe- + Ag+ + H2O = AgOH(Se)2-4 + 3 H+ + log_k -18.6237 + delta_h 0 kcal HSeO3- = SeO3-2 + H+ - log_k -8.48 - delta_h 1.28 kcal + log_k -8.48 + delta_h 1.28 kcal HSeO3- + H+ = H2SeO3 - log_k 2.65 - delta_h 1.69 kcal + log_k 2.65 + delta_h 1.69 kcal HSeO3- + Fe+3 = FeHSeO3+2 - log_k 3.61 - delta_h 0 kcal + log_k 3.61 + delta_h 0 kcal HSeO3- + Ag+ = AgSeO3- + H+ - log_k -5.5985 - delta_h 0 kcal -2HSeO3- + Ag+ = Ag(SeO3)2-3 + 2H+ - log_k -13.2 - delta_h 0 kcal -2HSeO3- + Cd+2 = Cd(SeO3)2-2 + 2H+ - log_k -11.189 - delta_h 0 kcal + log_k -5.5985 + delta_h 0 kcal +2 HSeO3- + Ag+ = Ag(SeO3)2-3 + 2 H+ + log_k -13.2 + delta_h 0 kcal +2 HSeO3- + Cd+2 = Cd(SeO3)2-2 + 2 H+ + log_k -11.189 + delta_h 0 kcal SeO4-2 + H+ = HSeO4- - log_k 1.9058 - delta_h 4.2 kcal + log_k 1.9058 + delta_h 4.2 kcal SeO4-2 + Mn+2 = MnSeO4 - log_k 2.4188 - delta_h 3.46 kcal + log_k 2.4188 + delta_h 3.46 kcal SeO4-2 + Ni+2 = NiSeO4 - log_k 2.6387 - delta_h 3.5 kcal + log_k 2.6387 + delta_h 3.5 kcal SeO4-2 + Cd+2 = CdSeO4 - log_k 2.2415 - delta_h 0 kcal + log_k 2.2415 + delta_h 0 kcal SeO4-2 + Zn+2 = ZnSeO4 - log_k 2.2019 - delta_h 0 kcal -2SeO4-2 + Zn+2 = Zn(SeO4)2-2 - log_k -0.0704 - delta_h 0 kcal -Hg(OH)2 + 2H+ = Hg+2 + 2H2O - log_k 6.097 - delta_h -11.06 kcal -Hg(OH)2 + Br- + 2H+ = HgBr+ + 2H2O - log_k 15.8347 - delta_h 0 kcal -Hg(OH)2 + 2Br- + 2H+ = HgBr2 + 2H2O - log_k 23.6065 + log_k 2.2019 + delta_h 0 kcal +2 SeO4-2 + Zn+2 = Zn(SeO4)2-2 + log_k -0.0704 + delta_h 0 kcal +Hg(OH)2 + 2 H+ = Hg+2 + 2 H2O + log_k 6.097 + delta_h -11.06 kcal +Hg(OH)2 + Br- + 2 H+ = HgBr+ + 2 H2O + log_k 15.8347 + delta_h 0 kcal +Hg(OH)2 + 2 Br- + 2 H+ = HgBr2 + 2 H2O + log_k 23.6065 delta_h -30.832 kcal -Hg(OH)2 + 2H+ + 3Br- = HgBr3- + 2H2O - log_k 25.7857 - delta_h 0 kcal -Hg(OH)2 + 2H+ + 4Br- = HgBr4-2 + 2H2O - log_k 27.0633 - delta_h 0 kcal -Hg(OH)2 + Br- + Cl- + 2H+ = HgBrCl + 2H2O - log_k 22.0145 - delta_h 0 kcal -Hg(OH)2 + Br- + I- + 2H+ = HgBrI + 2H2O - log_k 27.1212 - delta_h 0 kcal -Hg(OH)2 + Br- + 3I- + 2H+ = HgBrI3-2 + 2H2O - log_k 34.2135 - delta_h 0 kcal -Hg(OH)2 + 2Br- + 2I- + 2H+ = HgBr2I2-2 + 2H2O - log_k 32.3994 - delta_h 0 kcal -Hg(OH)2 + 3Br- + I- + 2H+ = HgBr3I-2 + 2H2O - log_k 30.1528 - delta_h 0 kcal +Hg(OH)2 + 2 H+ + 3 Br- = HgBr3- + 2 H2O + log_k 25.7857 + delta_h 0 kcal +Hg(OH)2 + 2 H+ + 4 Br- = HgBr4-2 + 2 H2O + log_k 27.0633 + delta_h 0 kcal +Hg(OH)2 + Br- + Cl- + 2 H+ = HgBrCl + 2 H2O + log_k 22.0145 + delta_h 0 kcal +Hg(OH)2 + Br- + I- + 2 H+ = HgBrI + 2 H2O + log_k 27.1212 + delta_h 0 kcal +Hg(OH)2 + Br- + 3 I- + 2 H+ = HgBrI3-2 + 2 H2O + log_k 34.2135 + delta_h 0 kcal +Hg(OH)2 + 2 Br- + 2 I- + 2 H+ = HgBr2I2-2 + 2 H2O + log_k 32.3994 + delta_h 0 kcal +Hg(OH)2 + 3 Br- + I- + 2 H+ = HgBr3I-2 + 2 H2O + log_k 30.1528 + delta_h 0 kcal Hg(OH)2 + Br- + H+ = HgBrOH + H2O - log_k 11.598 - delta_h 0 kcal -Hg(OH)2 + Cl- + 2H+ = HgCl+ + 2H2O - log_k 12.85 - delta_h 0 kcal -Hg(OH)2 + 2Cl- + 2H+ = HgCl2 + 2H2O - log_k 19.2203 - delta_h 0 kcal -Hg(OH)2 + 3Cl- + 2H+ = HgCl3- + 2H2O - log_k 20.1226 - delta_h 0 kcal -Hg(OH)2 + 4Cl- + 2H+ = HgCl4-2 + 2H2O - log_k 20.5338 - delta_h 0 kcal -Hg(OH)2 + Cl- + I- + 2H+ = HgClI + 2H2O - log_k 25.3532 - delta_h 0 kcal + log_k 11.598 + delta_h 0 kcal +Hg(OH)2 + Cl- + 2 H+ = HgCl+ + 2 H2O + log_k 12.85 + delta_h 0 kcal +Hg(OH)2 + 2 Cl- + 2 H+ = HgCl2 + 2 H2O + log_k 19.2203 + delta_h 0 kcal +Hg(OH)2 + 3 Cl- + 2 H+ = HgCl3- + 2 H2O + log_k 20.1226 + delta_h 0 kcal +Hg(OH)2 + 4 Cl- + 2 H+ = HgCl4-2 + 2 H2O + log_k 20.5338 + delta_h 0 kcal +Hg(OH)2 + Cl- + I- + 2 H+ = HgClI + 2 H2O + log_k 25.3532 + delta_h 0 kcal Hg(OH)2 + Cl- + H+ = HgClOH + H2O - log_k 9.317 + log_k 9.317 delta_h -12.482 kcal -Hg(OH)2 + F- + 2H+ = HgF+ + 2H2O - log_k 8.0848 - delta_h 0 kcal -Hg(OH)2 + I- + 2H+ = HgI+ + 2H2O - log_k 18.8949 - delta_h 0 kcal -Hg(OH)2 + 2I- + 2H+ = HgI2 + 2H2O - log_k 30.1081 +Hg(OH)2 + F- + 2 H+ = HgF+ + 2 H2O + log_k 8.0848 + delta_h 0 kcal +Hg(OH)2 + I- + 2 H+ = HgI+ + 2 H2O + log_k 18.8949 + delta_h 0 kcal +Hg(OH)2 + 2 I- + 2 H+ = HgI2 + 2 H2O + log_k 30.1081 delta_h -44.522 kcal -Hg(OH)2 + 3I- + 2H+ = HgI3- + 2H2O - log_k 33.7935 +Hg(OH)2 + 3 I- + 2 H+ = HgI3- + 2 H2O + log_k 33.7935 delta_h -47.943 kcal -Hg(OH)2 + 4I- + 2H+ = HgI4-2 + 2H2O - log_k 35.7858 - delta_h 0 kcal -Hg(OH)2 + NH4+ + H+ = HgNH3+2 + 2H2O - log_k 5.6139 - delta_h 0 kcal -Hg(OH)2 + 2NH4+ = Hg(NH3)2+2 + 2H2O - log_k 5.0341 - delta_h 0 kcal -Hg(OH)2 + 3NH4+ = Hg(NH3)3+2 + H+ + 2H2O - log_k -3.2493 - delta_h 0 kcal -Hg(OH)2 + 4NH4+ = Hg(NH3)4+2 + 2H+ + 2H2O - log_k -11.7307 - delta_h 0 kcal -Hg(OH)2 + NO3- + 2H+ = HgNO3+ + 2H2O - log_k 6.4503 - delta_h 0 kcal -Hg(OH)2 + 2NO3- + 2H+ = Hg(NO3)2 + 2H2O - log_k 4.7791 - delta_h 0 kcal +Hg(OH)2 + 4 I- + 2 H+ = HgI4-2 + 2 H2O + log_k 35.7858 + delta_h 0 kcal +Hg(OH)2 + NH4+ + H+ = HgNH3+2 + 2 H2O + log_k 5.6139 + delta_h 0 kcal +Hg(OH)2 + 2 NH4+ = Hg(NH3)2+2 + 2 H2O + log_k 5.0341 + delta_h 0 kcal +Hg(OH)2 + 3 NH4+ = Hg(NH3)3+2 + H+ + 2 H2O + log_k -3.2493 + delta_h 0 kcal +Hg(OH)2 + 4 NH4+ = Hg(NH3)4+2 + 2 H+ + 2 H2O + log_k -11.7307 + delta_h 0 kcal +Hg(OH)2 + NO3- + 2 H+ = HgNO3+ + 2 H2O + log_k 6.4503 + delta_h 0 kcal +Hg(OH)2 + 2 NO3- + 2 H+ = Hg(NO3)2 + 2 H2O + log_k 4.7791 + delta_h 0 kcal Hg(OH)2 + H+ = HgOH+ + H2O - log_k 2.6974 - delta_h 0 kcal + log_k 2.6974 + delta_h 0 kcal Hg(OH)2 + H2O = Hg(OH)3- + H+ - log_k -15.0042 - delta_h 0 kcal -Hg(OH)2 + 2HS- = HgS2-2 + 2H2O - log_k 31.2398 - delta_h 0 kcal -Hg(OH)2 + 2HS- + 2H+ = Hg(HS)2 + 2H2O - log_k 43.8178 - delta_h 0 kcal -Hg(OH)2 + SO4-2 + 2H+ = HgSO4 + 2H2O - log_k 7.4911 - delta_h 0 kcal -Cr(OH)2+ + 2H+ = Cr+3 + 2H2O - log_k 9.62 - delta_h -20.14 kcal + log_k -15.0042 + delta_h 0 kcal +Hg(OH)2 + 2 HS- = HgS2-2 + 2 H2O + log_k 31.2398 + delta_h 0 kcal +Hg(OH)2 + 2 HS- + 2 H+ = Hg(HS)2 + 2 H2O + log_k 43.8178 + delta_h 0 kcal +Hg(OH)2 + SO4-2 + 2 H+ = HgSO4 + 2 H2O + log_k 7.4911 + delta_h 0 kcal +Cr(OH)2+ + 2 H+ = Cr+3 + 2 H2O + log_k 9.62 + delta_h -20.14 kcal Cr(OH)2+ + H+ = Cr(OH)+2 + H2O - log_k 5.62 - delta_h 0 kcal + log_k 5.62 + delta_h 0 kcal Cr(OH)2+ + H2O = Cr(OH)3 + H+ - log_k -7.13 - delta_h 0 kcal -Cr(OH)2+ + 2H2O = Cr(OH)4- + 2H+ - log_k -18.15 - delta_h 0 kcal -Cr(OH)2+ = CrO2- + 2H+ - log_k -17.7456 - delta_h 0 kcal -Cr(OH)2+ + Br- + 2H+ = CrBr+2 + 2H2O - log_k 7.5519 + log_k -7.13 + delta_h 0 kcal +Cr(OH)2+ + 2 H2O = Cr(OH)4- + 2 H+ + log_k -18.15 + delta_h 0 kcal +Cr(OH)2+ = CrO2- + 2 H+ + log_k -17.7456 + delta_h 0 kcal +Cr(OH)2+ + Br- + 2 H+ = CrBr+2 + 2 H2O + log_k 7.5519 delta_h -11.211 kcal -Cr(OH)2+ + Cl- + 2H+ = CrCl+2 + 2H2O - log_k 9.3683 +Cr(OH)2+ + Cl- + 2 H+ = CrCl+2 + 2 H2O + log_k 9.3683 delta_h -13.847 kcal -Cr(OH)2+ + 2Cl- + 2H+ = CrCl2+ + 2H2O - log_k 8.658 - delta_h -9.374 kcal -Cr(OH)2+ + 2Cl- + H+ = CrOHCl2 + H2O - log_k 2.9627 - delta_h 0 kcal -Cr(OH)2+ + F- + 2H+ = CrF+2 + 2H2O - log_k 14.5424 +Cr(OH)2+ + 2 Cl- + 2 H+ = CrCl2+ + 2 H2O + log_k 8.658 + delta_h -9.374 kcal +Cr(OH)2+ + 2 Cl- + H+ = CrOHCl2 + H2O + log_k 2.9627 + delta_h 0 kcal +Cr(OH)2+ + F- + 2 H+ = CrF+2 + 2 H2O + log_k 14.5424 delta_h -16.789 kcal -Cr(OH)2+ + I- + 2H+ = CrI+2 + 2H2O - log_k 4.8289 - delta_h 0 kcal -Cr(OH)2+ + 6NH4+ = Cr(NH3)6+3 + 4H+ + 2H2O - log_k -32.5709 - delta_h 0 kcal -Cr(OH)2+ + 5NH4+ = Cr(NH3)5OH+2 + 4H+ + H2O - log_k -30.2759 - delta_h 0 kcal -Cr(OH)2+ + 4NH4+ = Cr(NH3)4(OH)2+ + 4H+ - log_k -29.8574 - delta_h 0 kcal +Cr(OH)2+ + I- + 2 H+ = CrI+2 + 2 H2O + log_k 4.8289 + delta_h 0 kcal +Cr(OH)2+ + 6 NH4+ = Cr(NH3)6+3 + 4 H+ + 2 H2O + log_k -32.5709 + delta_h 0 kcal +Cr(OH)2+ + 5 NH4+ = Cr(NH3)5OH+2 + 4 H+ + H2O + log_k -30.2759 + delta_h 0 kcal +Cr(OH)2+ + 4 NH4+ = Cr(NH3)4(OH)2+ + 4 H+ + log_k -29.8574 + delta_h 0 kcal # Don't know difference with previous species # MINTEQ had "CCrNH3)4OH2" for one and "TCrNH3)4OH2" # Equations were the same. @@ -1836,364 +1840,364 @@ Cr(OH)2+ + 4NH4+ = Cr(NH3)4(OH)2+ + 4H+ #Cr(OH)2+ + 4NH4+ = Cr(NH3)4(OH)2+ + 4H+ # log_k -30.5537 # delta_h 0 kcal -Cr(OH)2+ + 6NH4+ + Cl- = Cr(NH3)6Cl+2 + 2H2O + 4H+ - log_k -31.7932 - delta_h 0 kcal -Cr(OH)2+ + 6NH4+ + Br- = Cr(NH3)6Br+2 + 4H+ + 2H2O - log_k -31.887 - delta_h 0 kcal -Cr(OH)2+ + 6NH4+ + I- = Cr(NH3)6I+2 + 4H+ + 2H2O - log_k -32.008 - delta_h 0 kcal -Cr(OH)2+ + NO3- + 2H+ = CrNO3+2 + 2H2O - log_k 8.2094 - delta_h -15.64 kcal -Cr(OH)2+ + 4H+ + PO4-3 = CrH2PO4+2 + 2H2O - log_k 31.9068 - delta_h 0 kcal -Cr(OH)2+ + SO4-2 + 2H+ = CrSO4+ + 2H2O - log_k 10.9654 - delta_h -12.62 kcal +Cr(OH)2+ + 6 NH4+ + Cl- = Cr(NH3)6Cl+2 + 2 H2O + 4 H+ + log_k -31.7932 + delta_h 0 kcal +Cr(OH)2+ + 6 NH4+ + Br- = Cr(NH3)6Br+2 + 4 H+ + 2 H2O + log_k -31.887 + delta_h 0 kcal +Cr(OH)2+ + 6 NH4+ + I- = Cr(NH3)6I+2 + 4 H+ + 2 H2O + log_k -32.008 + delta_h 0 kcal +Cr(OH)2+ + NO3- + 2 H+ = CrNO3+2 + 2 H2O + log_k 8.2094 + delta_h -15.64 kcal +Cr(OH)2+ + 4 H+ + PO4-3 = CrH2PO4+2 + 2 H2O + log_k 31.9068 + delta_h 0 kcal +Cr(OH)2+ + SO4-2 + 2 H+ = CrSO4+ + 2 H2O + log_k 10.9654 + delta_h -12.62 kcal Cr(OH)2+ + SO4-2 + H+ = CrOHSO4 + H2O - log_k 8.2754 - delta_h 0 kcal -2Cr(OH)2+ + 2SO4-2 + 2H+ = Cr2(OH)2(SO4)2 + 2H2O - log_k 14.5278 - delta_h 0 kcal + log_k 8.2754 + delta_h 0 kcal +2 Cr(OH)2+ + 2 SO4-2 + 2 H+ = Cr2(OH)2(SO4)2 + 2 H2O + log_k 14.5278 + delta_h 0 kcal # Not sure about these two species # One was "Cr2OH2SO4)S" other was "Cr2OH2SO42" # Equation was the same #2Cr(OH)2+ + 2SO4-2 + 2H+ = Cr2(OH)2(SO4)2 + 2H2O # log_k 17.9288 # delta_h 0 kcal -2Cr(OH)2+ + SO4-2 + 2H+ = Cr2(OH)2SO4+2 + 2H2O - log_k 16.155 - delta_h 0 kcal +2 Cr(OH)2+ + SO4-2 + 2 H+ = Cr2(OH)2SO4+2 + 2 H2O + log_k 16.155 + delta_h 0 kcal CrO4-2 + H+ = HCrO4- - log_k 6.5089 - delta_h 0.9 kcal -CrO4-2 + 2H+ = H2CrO4 - log_k 5.6513 - delta_h 0 kcal -2CrO4-2 + 2H+ = Cr2O7-2 + H2O - log_k 14.5571 - delta_h -2.995 kcal -CrO4-2 + Cl- + 2H+ = CrO3Cl- + H2O - log_k 7.3086 - delta_h 0 kcal -CrO4-2 + 4H+ + PO4-3 = CrO3H2PO4- + H2O - log_k 29.3634 - delta_h 0 kcal -CrO4-2 + 3H+ + PO4-3 = CrO3HPO4-2 + H2O - log_k 26.6806 - delta_h 0 kcal -CrO4-2 + SO4-2 + 2H+ = CrO3SO4-2 + H2O - log_k 8.9937 - delta_h 0 kcal + log_k 6.5089 + delta_h 0.9 kcal +CrO4-2 + 2 H+ = H2CrO4 + log_k 5.6513 + delta_h 0 kcal +2 CrO4-2 + 2 H+ = Cr2O7-2 + H2O + log_k 14.5571 + delta_h -2.995 kcal +CrO4-2 + Cl- + 2 H+ = CrO3Cl- + H2O + log_k 7.3086 + delta_h 0 kcal +CrO4-2 + 4 H+ + PO4-3 = CrO3H2PO4- + H2O + log_k 29.3634 + delta_h 0 kcal +CrO4-2 + 3 H+ + PO4-3 = CrO3HPO4-2 + H2O + log_k 26.6806 + delta_h 0 kcal +CrO4-2 + SO4-2 + 2 H+ = CrO3SO4-2 + H2O + log_k 8.9937 + delta_h 0 kcal CrO4-2 + Na+ = NaCrO4- - log_k 0.6963 - delta_h 0 kcal + log_k 0.6963 + delta_h 0 kcal CrO4-2 + K+ = KCrO4- - log_k 0.799 - delta_h 0 kcal -Ba+2 + Fe+3 + 6Cyanide- = BaFe(Cyanide)6- - log_k 55.4356 - delta_h -69.68 kcal -Ca+2 + H+ + Fe+2 + 6Cyanide- + e- = CaHFe(Cyanide)6-2 - log_k 52.7097 - delta_h -82 kcal -K+ + Fe+2 + 6Cyanide- = KFe(Cyanide)6-3 - log_k 48.1204 - delta_h -84 kcal -2K+ + Fe+2 + 6Cyanide- = K2Fe(Cyanide)6-2 - log_k 48.978 - delta_h -77.3 kcal -K+ + H+ + Fe+2 + 6Cyanide- = KHFe(Cyanide)6-2 - log_k 51.4702 - delta_h -78.1 kcal -2Li+ + Fe+2 + 6Cyanide- = Li2Fe(Cyanide)6-2 - log_k 48.5338 + log_k 0.799 + delta_h 0 kcal +Ba+2 + Fe+3 + 6 Cyanide- = BaFe(Cyanide)6- + log_k 55.4356 + delta_h -69.68 kcal +Ca+2 + H+ + Fe+2 + 6 Cyanide- + e- = CaHFe(Cyanide)6-2 + log_k 52.7097 + delta_h -82 kcal +K+ + Fe+2 + 6 Cyanide- = KFe(Cyanide)6-3 + log_k 48.1204 + delta_h -84 kcal +2 K+ + Fe+2 + 6 Cyanide- = K2Fe(Cyanide)6-2 + log_k 48.978 + delta_h -77.3 kcal +K+ + H+ + Fe+2 + 6 Cyanide- = KHFe(Cyanide)6-2 + log_k 51.4702 + delta_h -78.1 kcal +2 Li+ + Fe+2 + 6 Cyanide- = Li2Fe(Cyanide)6-2 + log_k 48.5338 delta_h -83.498 kcal -Li+ + H+ + Fe+2 + 6Cyanide- = LiHFe(Cyanide)6-2 - log_k 51.2188 +Li+ + H+ + Fe+2 + 6 Cyanide- = LiHFe(Cyanide)6-2 + log_k 51.2188 delta_h -80.999 kcal -NH4+ + Fe+2 + 6Cyanide- = NH4Fe(Cyanide)6-3 - log_k 48.0684 - delta_h -84.5 kcal -NH4+ + H+ + Fe+2 + 6Cyanide- = NH5Fe(Cyanide)6-2 - log_k 51.4035 - delta_h -83.9 kcal -Na+ + Fe+2 + 6Cyanide- = NaFe(Cyanide)6-3 - log_k 47.9885 - delta_h -84.9 kcal -2Na+ + Fe+2 + 6Cyanide- = Na2Fe(Cyanide)6-2 - log_k 48.7435 - delta_h -85 kcal -Na+ + H+ + Fe+2 + 6Cyanide- = NaHFe(Cyanide)6-2 - log_k 51.4335 - delta_h -85.6 kcal -2NH4+ + Fe+2 + 6Cyanide- = (NH4)2FeCyanide6-2 - log_k 48.8666 - delta_h -83 kcal +NH4+ + Fe+2 + 6 Cyanide- = NH4Fe(Cyanide)6-3 + log_k 48.0684 + delta_h -84.5 kcal +NH4+ + H+ + Fe+2 + 6 Cyanide- = NH5Fe(Cyanide)6-2 + log_k 51.4035 + delta_h -83.9 kcal +Na+ + Fe+2 + 6 Cyanide- = NaFe(Cyanide)6-3 + log_k 47.9885 + delta_h -84.9 kcal +2 Na+ + Fe+2 + 6 Cyanide- = Na2Fe(Cyanide)6-2 + log_k 48.7435 + delta_h -85 kcal +Na+ + H+ + Fe+2 + 6 Cyanide- = NaHFe(Cyanide)6-2 + log_k 51.4335 + delta_h -85.6 kcal +2 NH4+ + Fe+2 + 6 Cyanide- = (NH4)2FeCyanide6-2 + log_k 48.8666 + delta_h -83 kcal Cyanide- + Ag+ + H2O = Ag(Cyanide)OH- + H+ - log_k -0.56 - delta_h 0 kcal -2Cyanide- + Ag+ = Ag(Cyanide)2- - log_k 20.3814 + log_k -0.56 + delta_h 0 kcal +2 Cyanide- + Ag+ = Ag(Cyanide)2- + log_k 20.3814 delta_h -32.675 kcal -6Cyanide- + 2K+ + 2H+ + Fe+2 = K2H2Fe(Cyanide)6 - log_k 52.3058 - delta_h -85.86 kcal -6Cyanide- + Ca+2 + Fe+3 = CaFe(Cyanide)6- - log_k 55.473 - delta_h -69.5 kcal -6Cyanide- + Ca+2 + Fe+2 = CaFe(Cyanide)6-2 - log_k 49.6898 - delta_h -83.1 kcal -6Cyanide- + 2Ca+2 + Fe+2 = Ca2Fe(Cyanide)6 - log_k 50.9952 - delta_h -83.7 kcal +6 Cyanide- + 2 K+ + 2 H+ + Fe+2 = K2H2Fe(Cyanide)6 + log_k 52.3058 + delta_h -85.86 kcal +6 Cyanide- + Ca+2 + Fe+3 = CaFe(Cyanide)6- + log_k 55.473 + delta_h -69.5 kcal +6 Cyanide- + Ca+2 + Fe+2 = CaFe(Cyanide)6-2 + log_k 49.6898 + delta_h -83.1 kcal +6 Cyanide- + 2 Ca+2 + Fe+2 = Ca2Fe(Cyanide)6 + log_k 50.9952 + delta_h -83.7 kcal Cyanide- + Cd+2 = CdCyanide+ - log_k 5.32 - delta_h 0 kcal -2Cyanide- + Cd+2 = Cd(Cyanide)2 - log_k 10.3703 - delta_h -13 kcal -3Cyanide- + Cd+2 = Cd(Cyanide)3- - log_k 14.8341 - delta_h -21.6 kcal -4Cyanide- + Cd+2 = Cd(Cyanide)4-2 - log_k 18.2938 - delta_h -23.56 kcal -4Cyanide- + Cu+ = Cu(Cyanide)4-3 - log_k 30.3456 - delta_h -51.4 kcal -2Cyanide- + Cu+ = Cu(Cyanide)2- - log_k 24.0272 - delta_h -29.1 kcal -3Cyanide- + Cu+ = Cu(Cyanide)3-2 - log_k 28.6524 - delta_h -40.2 kcal -6Cyanide- + Fe+2 = Fe(Cyanide)6-4 - log_k 45.6063 - delta_h -85.8 kcal -6Cyanide- + Fe+2 + H+ = HFe(Cyanide)6-3 - log_k 49.9969 - delta_h -84.16 kcal -6Cyanide- + 2H+ + Fe+2 = H2Fe(Cyanide)6-2 - log_k 52.445 - delta_h -83.1 kcal -6Cyanide- + Fe+3 = Fe(Cyanide)6-3 - log_k 52.6283 - delta_h -70.1 kcal + log_k 5.32 + delta_h 0 kcal +2 Cyanide- + Cd+2 = Cd(Cyanide)2 + log_k 10.3703 + delta_h -13 kcal +3 Cyanide- + Cd+2 = Cd(Cyanide)3- + log_k 14.8341 + delta_h -21.6 kcal +4 Cyanide- + Cd+2 = Cd(Cyanide)4-2 + log_k 18.2938 + delta_h -23.56 kcal +4 Cyanide- + Cu+ = Cu(Cyanide)4-3 + log_k 30.3456 + delta_h -51.4 kcal +2 Cyanide- + Cu+ = Cu(Cyanide)2- + log_k 24.0272 + delta_h -29.1 kcal +3 Cyanide- + Cu+ = Cu(Cyanide)3-2 + log_k 28.6524 + delta_h -40.2 kcal +6 Cyanide- + Fe+2 = Fe(Cyanide)6-4 + log_k 45.6063 + delta_h -85.8 kcal +6 Cyanide- + Fe+2 + H+ = HFe(Cyanide)6-3 + log_k 49.9969 + delta_h -84.16 kcal +6 Cyanide- + 2 H+ + Fe+2 = H2Fe(Cyanide)6-2 + log_k 52.445 + delta_h -83.1 kcal +6 Cyanide- + Fe+3 = Fe(Cyanide)6-3 + log_k 52.6283 + delta_h -70.1 kcal Cyanide- + H+ = HCyanide - log_k 9.2356 - delta_h -10.4 kcal + log_k 9.2356 + delta_h -10.4 kcal Cyanate- + H+ = HCyanate - log_k 3.445 - delta_h -2 kcal -Cyanide- + Hg(OH)2 + 2H+ = HgCyanide+ + 2H2O - log_k 24.1738 - delta_h -33.83 kcal -2Cyanide- + Hg(OH)2 + 2H+ = Hg(Cyanide)2 + 2H2O - log_k 40.6513 - delta_h -57.24 kcal -3Cyanide- + Hg(OH)2 + 2H+ = Hg(Cyanide)3- + 2H2O - log_k 44.4042 - delta_h -64.83 kcal -4Cyanide- + Hg(OH)2 + 2H+ = Hg(Cyanide)4-2 + 2H2O - log_k 47.4094 - delta_h -69.93 kcal -2Cyanide- + Cl- + Hg(OH)2 + 2H+ = Hg(Cyanide)2Cl- + 2H2O - log_k 40.3735 - delta_h 0 kcal -3Cyanide- + Cl- + Hg(OH)2 + 2H+ = Hg(Cyanide)3Cl-2 + 2H2O - log_k 43.8332 - delta_h 0 kcal -3Cyanide- + Br- + Hg(OH)2 + 2H+ = Hg(Cyanide)3Br-2 + 2H2O - log_k 44.9415 - delta_h 0 kcal -Cyanide- + 2I- = I2Cyanide- + 2e- - log_k -11.848 - delta_h 0 kcal -2Cyanide- + I- = I(Cyanide)2- + 2e- - log_k -11.458 - delta_h 0 kcal -6Cyanide- + 3K+ + H+ + Fe+2 = K3HFe(Cyanide)6 - log_k 50.2241 - delta_h -85.99 kcal -6Cyanide- + Li+ + Fe+2 = LiFe(Cyanide)6-3 - log_k 47.6858 + log_k 3.445 + delta_h -2 kcal +Cyanide- + Hg(OH)2 + 2 H+ = HgCyanide+ + 2 H2O + log_k 24.1738 + delta_h -33.83 kcal +2 Cyanide- + Hg(OH)2 + 2 H+ = Hg(Cyanide)2 + 2 H2O + log_k 40.6513 + delta_h -57.24 kcal +3 Cyanide- + Hg(OH)2 + 2 H+ = Hg(Cyanide)3- + 2 H2O + log_k 44.4042 + delta_h -64.83 kcal +4 Cyanide- + Hg(OH)2 + 2 H+ = Hg(Cyanide)4-2 + 2 H2O + log_k 47.4094 + delta_h -69.93 kcal +2 Cyanide- + Cl- + Hg(OH)2 + 2 H+ = Hg(Cyanide)2Cl- + 2 H2O + log_k 40.3735 + delta_h 0 kcal +3 Cyanide- + Cl- + Hg(OH)2 + 2 H+ = Hg(Cyanide)3Cl-2 + 2 H2O + log_k 43.8332 + delta_h 0 kcal +3 Cyanide- + Br- + Hg(OH)2 + 2 H+ = Hg(Cyanide)3Br-2 + 2 H2O + log_k 44.9415 + delta_h 0 kcal +Cyanide- + 2 I- = I2Cyanide- + 2 e- + log_k -11.848 + delta_h 0 kcal +2 Cyanide- + I- = I(Cyanide)2- + 2 e- + log_k -11.458 + delta_h 0 kcal +6 Cyanide- + 3 K+ + H+ + Fe+2 = K3HFe(Cyanide)6 + log_k 50.2241 + delta_h -85.99 kcal +6 Cyanide- + Li+ + Fe+2 = LiFe(Cyanide)6-3 + log_k 47.6858 delta_h -80.149 kcal -6Cyanide- + Mg+2 + Fe+3 = MgFe(Cyanide)6- - log_k 55.3916 - delta_h -69.31 kcal -6Cyanide- + Mg+2 + Fe+2 = MgFe(Cyanide)6-2 - log_k 49.4251 - delta_h 0 kcal -4Cyanide- + Ni+2 = Ni(Cyanide)4-2 - log_k 30.1257 - delta_h -43.19 kcal -Sr+2 + Fe+3 + 6Cyanide- = SrFe(Cyanide)6- - log_k 55.6181 - delta_h -69.83 kcal -4Cyanide- + Tl+ = Tl(Cyanide)4- + 2e- - log_k -8.0189 - delta_h 0 kcal -6Cyanide- + Tl+ + Fe+2 = TlFe(Cyanide)6-3 - log_k 48.7508 - delta_h -84.88 kcal -4Cyanide- + Zn+2 = Zn(Cyanide)4-2 - log_k 16.715 +6 Cyanide- + Mg+2 + Fe+3 = MgFe(Cyanide)6- + log_k 55.3916 + delta_h -69.31 kcal +6 Cyanide- + Mg+2 + Fe+2 = MgFe(Cyanide)6-2 + log_k 49.4251 + delta_h 0 kcal +4 Cyanide- + Ni+2 = Ni(Cyanide)4-2 + log_k 30.1257 + delta_h -43.19 kcal +Sr+2 + Fe+3 + 6 Cyanide- = SrFe(Cyanide)6- + log_k 55.6181 + delta_h -69.83 kcal +4 Cyanide- + Tl+ = Tl(Cyanide)4- + 2 e- + log_k -8.0189 + delta_h 0 kcal +6 Cyanide- + Tl+ + Fe+2 = TlFe(Cyanide)6-3 + log_k 48.7508 + delta_h -84.88 kcal +4 Cyanide- + Zn+2 = Zn(Cyanide)4-2 + log_k 16.715 delta_h -25.539 kcal -3Cyanide- + Zn+2 = Zn(Cyanide)3- - log_k 16.048 +3 Cyanide- + Zn+2 = Zn(Cyanide)3- + log_k 16.048 delta_h -20.199 kcal -2Cyanide- + Zn+2 = Zn(Cyanide)2 - log_k 11.071 +2 Cyanide- + Zn+2 = Zn(Cyanide)2 + log_k 11.071 delta_h -10.999 kcal -3Cyanide- + Ni+2 = Ni(Cyanide)3- - log_k 22.6346 - delta_h 0 kcal -4Cyanide- + Ni+2 + H+ = NiH(Cyanide)4- - log_k 36.7482 - delta_h 0 kcal -4Cyanide- + Ni+2 + 2H+ = NiH2Cyanide4 - log_k 41.4576 - delta_h 0 kcal -4Cyanide- + Ni+2 + 3H+ = NiH3(Cyanide)4+ - log_k 43.9498 - delta_h 0 kcal -2Cyanide- + Ni+2 = Ni(Cyanide)2 - log_k 14.5864 - delta_h 0 kcal -6Cyanide- + 2Fe+3 = Fe2(Cyanide)6 - log_k 56.9822 - delta_h 0 kcal -2Cyanate- + Ag+ = Ag(Cyanate)2- - log_k 5.0034 - delta_h 0 kcal -3Cyanide- + Ag+ = Ag(Cyanide)3-2 - log_k 21.4002 +3 Cyanide- + Ni+2 = Ni(Cyanide)3- + log_k 22.6346 + delta_h 0 kcal +4 Cyanide- + Ni+2 + H+ = NiH(Cyanide)4- + log_k 36.7482 + delta_h 0 kcal +4 Cyanide- + Ni+2 + 2 H+ = NiH2Cyanide4 + log_k 41.4576 + delta_h 0 kcal +4 Cyanide- + Ni+2 + 3 H+ = NiH3(Cyanide)4+ + log_k 43.9498 + delta_h 0 kcal +2 Cyanide- + Ni+2 = Ni(Cyanide)2 + log_k 14.5864 + delta_h 0 kcal +6 Cyanide- + 2 Fe+3 = Fe2(Cyanide)6 + log_k 56.9822 + delta_h 0 kcal +2 Cyanate- + Ag+ = Ag(Cyanate)2- + log_k 5.0034 + delta_h 0 kcal +3 Cyanide- + Ag+ = Ag(Cyanide)3-2 + log_k 21.4002 delta_h -33.495 kcal -6Cyanide- + Fe+2 + Ba+2 = BaFe(Cyanide)6-2 - log_k 49.4032 - delta_h 0 kcal +6 Cyanide- + Fe+2 + Ba+2 = BaFe(Cyanide)6-2 + log_k 49.4032 + delta_h 0 kcal Acetate- + H+ = HAcetate - log_k 4.76 - delta_h 0 kcal - -gamma 0 0.06 + log_k 4.76 + delta_h 0 kcal + -gamma 0 0.06 Tartrate-2 + H+ = HTartrate- - log_k 4.16 - delta_h 0 kcal - -gamma 0 0.01 -Tartrate-2 + 2H+ = H2Tartrate - log_k 6.67 - delta_h 0 kcal - -gamma 0 0.01 + log_k 4.16 + delta_h 0 kcal + -gamma 0 0.01 +Tartrate-2 + 2 H+ = H2Tartrate + log_k 6.67 + delta_h 0 kcal + -gamma 0 0.01 Glycine- + H+ = HGlycine - log_k 9.78 - delta_h 0 kcal - -gamma 0 0.07 -Glycine- + 2H+ = H2Glycine+ - log_k 12.12 - delta_h 0 kcal - -gamma 0 0.07 + log_k 9.78 + delta_h 0 kcal + -gamma 0 0.07 +Glycine- + 2 H+ = H2Glycine+ + log_k 12.12 + delta_h 0 kcal + -gamma 0 0.07 Salicylate-2 + H+ = HSalicylate- - log_k 13.4 - delta_h 0 kcal - -gamma 0 0.01 -Salicylate-2 + 2H+ = H2Salicylate - log_k 16.4 - delta_h 0 kcal - -gamma 0 0.01 + log_k 13.4 + delta_h 0 kcal + -gamma 0 0.01 +Salicylate-2 + 2 H+ = H2Salicylate + log_k 16.4 + delta_h 0 kcal + -gamma 0 0.01 Glutamate-2 + H+ = HGlutamate- - log_k 9.95 - delta_h 0 kcal - -gamma 0 0.01 -Glutamate-2 + 2H+ = H2Glutamate - log_k 14.37 - delta_h 0 kcal - -gamma 0 0.01 + log_k 9.95 + delta_h 0 kcal + -gamma 0 0.01 +Glutamate-2 + 2 H+ = H2Glutamate + log_k 14.37 + delta_h 0 kcal + -gamma 0 0.01 Phthalate-2 + H+ = HPhthalate- - log_k 5.4 - delta_h 0 kcal - -gamma 0 0.01 -Phthalate-2 + 2H+ = H2Phthalate - log_k 8.35 - delta_h 0 kcal - -gamma 0 0.01 + log_k 5.4 + delta_h 0 kcal + -gamma 0 0.01 +Phthalate-2 + 2 H+ = H2Phthalate + log_k 8.35 + delta_h 0 kcal + -gamma 0 0.01 Cd+2 + Acetate- = CdAcetate+ - log_k 1.93 - delta_h 0 kcal - -gamma 0 0.01 + log_k 1.93 + delta_h 0 kcal + -gamma 0 0.01 Cd+2 + Tartrate-2 = CdTartrate - log_k 3.9 - delta_h 0 kcal - -gamma 0 0.02 + log_k 3.9 + delta_h 0 kcal + -gamma 0 0.02 Cd+2 + Glycine- = CdGlycine+ - log_k 4.8 - delta_h 0 kcal -Cd+2 + 2Glycine- = CdGlycine2 - log_k 8.4 - delta_h 0 kcal + log_k 4.8 + delta_h 0 kcal +Cd+2 + 2 Glycine- = CdGlycine2 + log_k 8.4 + delta_h 0 kcal Cd+2 + Glutamate-2 = CdGlutamate - log_k 4.78 - delta_h 0 kcal -Cd+2 + 2Glutamate-2 = CdGlutamate2-2 - log_k 2.78 - delta_h 0 kcal + log_k 4.78 + delta_h 0 kcal +Cd+2 + 2 Glutamate-2 = CdGlutamate2-2 + log_k 2.78 + delta_h 0 kcal Cd+2 + Phthalate-2 = CdPhthalate - log_k 2.5 - delta_h 0 kcal + log_k 2.5 + delta_h 0 kcal Pb+2 + Tartrate-2 = PbTartrate - log_k 3.78 - delta_h 0 kcal + log_k 3.78 + delta_h 0 kcal Pb+2 + Glycine- = PbGlycine+ - log_k 5.47 - delta_h 0 kcal -Pb+2 + 2Glycine- = PbGlycine2 - log_k 8.32 - delta_h 0 kcal + log_k 5.47 + delta_h 0 kcal +Pb+2 + 2 Glycine- = PbGlycine2 + log_k 8.32 + delta_h 0 kcal Ba+2 + Acetate- = BaAcetate+ - log_k 1.07 - delta_h 0 kcal + log_k 1.07 + delta_h 0 kcal Ba+2 + Tartrate-2 = BaTartrate - log_k 2.54 - delta_h 0 kcal + log_k 2.54 + delta_h 0 kcal Ba+2 + Glycine- = BaGlycine+ - log_k 0.77 - delta_h 0 kcal + log_k 0.77 + delta_h 0 kcal Ba+2 + Salicylate-2 = BaSalicylate - log_k 0.21 - delta_h 0 kcal + log_k 0.21 + delta_h 0 kcal Ba+2 + Glutamate-2 = BaGlutamate - log_k 1.28 - delta_h 0 kcal + log_k 1.28 + delta_h 0 kcal Ba+2 + Phthalate-2 = BaPhthalate - log_k 2.33 - delta_h 0 kcal + log_k 2.33 + delta_h 0 kcal Ag+ + Acetate- = AgAcetate - log_k 0.73 - delta_h 0 kcal -Ag+ + 2Acetate- = AgAcetate2- - log_k 0.64 - delta_h 0 kcal + log_k 0.73 + delta_h 0 kcal +Ag+ + 2 Acetate- = AgAcetate2- + log_k 0.64 + delta_h 0 kcal Ag+ + Glycine- = AgGlycine - log_k 3.51 - delta_h 0 kcal -Ag+ + 2Glycine- = AgGlycine2- - log_k 3.38 - delta_h 0 kcal -Cr(OH)2+ + Acetate- + 2H+ = CrAcetate+2 + 2H2O - log_k 14.25 - delta_h 0 kcal -Cr(OH)2+ + 2Acetate- + 2H+ = CrAcetate2+ + 2H2O - log_k 16.68 - delta_h 0 kcal -Cr(OH)2+ + 3Acetate- + 2H+ = CrAcetate3 + 2H2O - log_k 19.2 - delta_h 0 kcal + log_k 3.51 + delta_h 0 kcal +Ag+ + 2 Glycine- = AgGlycine2- + log_k 3.38 + delta_h 0 kcal +Cr(OH)2+ + Acetate- + 2 H+ = CrAcetate+2 + 2 H2O + log_k 14.25 + delta_h 0 kcal +Cr(OH)2+ + 2 Acetate- + 2 H+ = CrAcetate2+ + 2 H2O + log_k 16.68 + delta_h 0 kcal +Cr(OH)2+ + 3 Acetate- + 2 H+ = CrAcetate3 + 2 H2O + log_k 19.2 + delta_h 0 kcal # Could not interpret MINTEQ data #Cr(OH)2+ + Glycine- = CrGlycine+2 # log_k 8.4 @@ -2204,2654 +2208,2654 @@ Cr(OH)2+ + 3Acetate- + 2H+ = CrAcetate3 + 2H2O #Cr(OH)2+ + 3Glycine- = CrGlycine3- # log_k 5.7 # delta_h 0 kcal -Cr(OH)2+ + Phthalate-2 + 2H+ = CrPhthalate+ + 2H2O - log_k 15.14 - delta_h 0 kcal -Cr(OH)2+ + 2Phthalate-2 + 2H+ = CrPhthalate2- + 2H2O - log_k 19.62 - delta_h 0 kcal -Cr(OH)2+ + 3Phthalate-2 + 2H+ = CrPhthalate3-3 + 2H2O - log_k 22.1 - delta_h 0 kcal +Cr(OH)2+ + Phthalate-2 + 2 H+ = CrPhthalate+ + 2 H2O + log_k 15.14 + delta_h 0 kcal +Cr(OH)2+ + 2 Phthalate-2 + 2 H+ = CrPhthalate2- + 2 H2O + log_k 19.62 + delta_h 0 kcal +Cr(OH)2+ + 3 Phthalate-2 + 2 H+ = CrPhthalate3-3 + 2 H2O + log_k 22.1 + delta_h 0 kcal Tl+ + Tartrate-2 = TlTartrate- - log_k 1.39 - delta_h 0 kcal + log_k 1.39 + delta_h 0 kcal Hg2+2 + Glycine- = Hg2Glycine+ - log_k 10.8 - delta_h 0 kcal -Hg2+2 + 2Glycine- = Hg2Glycine2 - log_k 20 - delta_h 0 kcal + log_k 10.8 + delta_h 0 kcal +Hg2+2 + 2 Glycine- = Hg2Glycine2 + log_k 20 + delta_h 0 kcal Cd+2 + Butanoate- = CdButanoate+ - log_k 1.25 - delta_h 0 kcal + log_k 1.25 + delta_h 0 kcal Cd+2 + Citrate-3 = CdCitrate- - log_k 5.3 - delta_h 0 kcal -Cd+2 + Citrate-3 + 2H+ = CdH2Citrate+ - log_k 2.05 - delta_h 0 kcal + log_k 5.3 + delta_h 0 kcal +Cd+2 + Citrate-3 + 2 H+ = CdH2Citrate+ + log_k 2.05 + delta_h 0 kcal Cd+2 + Citrate-3 + H+ = CdHCitrate - log_k 3.37 - delta_h 0 kcal -Cd+2 + 2Citrate-3 = CdCitrate2-4 - log_k 5.34 - delta_h 0 kcal + log_k 3.37 + delta_h 0 kcal +Cd+2 + 2 Citrate-3 = CdCitrate2-4 + log_k 5.34 + delta_h 0 kcal Cd+2 + Edta-4 + H+ = CdHEdta- - log_k 2.9 - delta_h 0 kcal -Cd+2 + 2Acetate- = CdAcetate2 - log_k 3.15 - delta_h 0 kcal -Cd+2 + 3Acetate- = CdAcetate3- - log_k 2.17 - delta_h 0 kcal -Cd+2 + 4Acetate- = CdAcetate4-2 - log_k 2.04 - delta_h 0 kcal + log_k 2.9 + delta_h 0 kcal +Cd+2 + 2 Acetate- = CdAcetate2 + log_k 3.15 + delta_h 0 kcal +Cd+2 + 3 Acetate- = CdAcetate3- + log_k 2.17 + delta_h 0 kcal +Cd+2 + 4 Acetate- = CdAcetate4-2 + log_k 2.04 + delta_h 0 kcal Cd+2 + Diethylamine = CdDiethylamine+2 - log_k 2.62 - delta_h 0 kcal -Cd+2 + 2Diethylamine = CdDiethylamine2+2 - log_k 4.86 - delta_h 0 kcal -Cd+2 + 3Diethylamine = CdDiethylamine3+2 - log_k 6.36 - delta_h 0 kcal -Cd+2 + 4Diethylamine = CdDiethylamine4+2 - log_k 7.31 - delta_h 0 kcal + log_k 2.62 + delta_h 0 kcal +Cd+2 + 2 Diethylamine = CdDiethylamine2+2 + log_k 4.86 + delta_h 0 kcal +Cd+2 + 3 Diethylamine = CdDiethylamine3+2 + log_k 6.36 + delta_h 0 kcal +Cd+2 + 4 Diethylamine = CdDiethylamine4+2 + log_k 7.31 + delta_h 0 kcal Cd+2 + Propanoate- = CdPropanoate+ - log_k 1.19 - delta_h 0 kcal -Cd+2 + 2Propanoate- = CdPropanoate2 - log_k 1.86 - delta_h 0 kcal -Cd+2 + 3Propanoate- = CdPropanoate3- - log_k 2.345 - delta_h 0 kcal -Cd+2 + 4Propanoate- = CdPropanoate4-2 - log_k 1.98 - delta_h 0 kcal -Cd+2 + 2Butanoate- = CdButanoate2 - log_k 1.98 - delta_h 0 kcal -Cd+2 + 3Butanoate- = CdButanoate3- - log_k 2.34 - delta_h 0 kcal -Cd+2 + 4Butanoate- = CdButanoate4-2 - log_k 1.98 - delta_h 0 kcal + log_k 1.19 + delta_h 0 kcal +Cd+2 + 2 Propanoate- = CdPropanoate2 + log_k 1.86 + delta_h 0 kcal +Cd+2 + 3 Propanoate- = CdPropanoate3- + log_k 2.345 + delta_h 0 kcal +Cd+2 + 4 Propanoate- = CdPropanoate4-2 + log_k 1.98 + delta_h 0 kcal +Cd+2 + 2 Butanoate- = CdButanoate2 + log_k 1.98 + delta_h 0 kcal +Cd+2 + 3 Butanoate- = CdButanoate3- + log_k 2.34 + delta_h 0 kcal +Cd+2 + 4 Butanoate- = CdButanoate4-2 + log_k 1.98 + delta_h 0 kcal Cd+2 + Npropylamine = CdNpropylamine+2 - log_k 2.62 - delta_h 0 kcal -Cd+2 + 2Npropylamine = CdNpropylamine2+2 - log_k 4.64 - delta_h 0 kcal -Cd+2 + 3Npropylamine = CdNpropylamine3+2 - log_k 6.03 - delta_h 0 kcal + log_k 2.62 + delta_h 0 kcal +Cd+2 + 2 Npropylamine = CdNpropylamine2+2 + log_k 4.64 + delta_h 0 kcal +Cd+2 + 3 Npropylamine = CdNpropylamine3+2 + log_k 6.03 + delta_h 0 kcal Cd+2 + Isopropylamine = CdIsopropylamine+2 - log_k 2.55 - delta_h 0 kcal -Cd+2 + 2Isopropylamine = CdIsopropylamine2+2 - log_k 4.57 - delta_h 0 kcal -Cd+2 + 3Isopropylamine = CdIsopropylamine3+2 - log_k 6.07 - delta_h 0 kcal -Cd+2 + 4Isopropylamine = CdIsopropylamine4+2 - log_k 6.9 - delta_h 0 kcal + log_k 2.55 + delta_h 0 kcal +Cd+2 + 2 Isopropylamine = CdIsopropylamine2+2 + log_k 4.57 + delta_h 0 kcal +Cd+2 + 3 Isopropylamine = CdIsopropylamine3+2 + log_k 6.07 + delta_h 0 kcal +Cd+2 + 4 Isopropylamine = CdIsopropylamine4+2 + log_k 6.9 + delta_h 0 kcal Benzoate- + H+ = HBenzoate - log_k 4.2 - delta_h 0 kcal -Para_acetate- + 2H+ = H2Para_acetate+ - log_k 4.31 - delta_h 0 kcal + log_k 4.2 + delta_h 0 kcal +Para_acetate- + 2 H+ = H2Para_acetate+ + log_k 4.31 + delta_h 0 kcal Isophthalate-2 + H+ = HIsophthalate- - log_k 3.5 - delta_h 0 kcal -Isophthalate-2 + 2H+ = H2Isophthalate - log_k 8 - delta_h 0 kcal + log_k 3.5 + delta_h 0 kcal +Isophthalate-2 + 2 H+ = H2Isophthalate + log_k 8 + delta_h 0 kcal Propanoate- + Fe+3 = FePropanoate+2 - log_k 3.4 - delta_h 0 kcal + log_k 3.4 + delta_h 0 kcal Isobutyrate- + Fe+3 = FeIsobutyrate+2 - log_k 3.6 - delta_h 0 kcal + log_k 3.6 + delta_h 0 kcal Butanoate- + Fe+3 = FeButanoate+2 - log_k 5.56 - delta_h 0 kcal + log_k 5.56 + delta_h 0 kcal Isovalerate- + Fe+3 = FeIsovalerate+2 - log_k 5.58 - delta_h 0 kcal + log_k 5.58 + delta_h 0 kcal Valerate- + Fe+3 = FeValerate+2 - log_k 5.58 - delta_h 0 kcal + log_k 5.58 + delta_h 0 kcal Benzoate- + Cu+2 = CuBenzoate+ - log_k 2.1 - delta_h 0 kcal + log_k 2.1 + delta_h 0 kcal Para_acetate- + Cu+2 = CuPara_acetate+ - log_k 1.97 - delta_h 0 kcal + log_k 1.97 + delta_h 0 kcal Isobutyrate- + Ba+2 = BaIsobutyrate+ - log_k 0.64 - delta_h 0 kcal + log_k 0.64 + delta_h 0 kcal Isovalerate- + Ba+2 = BaIsovalerate+ - log_k 0.68 - delta_h 0 kcal + log_k 0.68 + delta_h 0 kcal Valerate- + Ba+2 = BaValerate+ - log_k 0.66 - delta_h 0 kcal + log_k 0.66 + delta_h 0 kcal Isophthalate-2 + Ba+2 = BaIsophthalate - log_k 1.55 - delta_h 0 kcal + log_k 1.55 + delta_h 0 kcal Isobutyrate- + Cd+2 = CdIsobutyrate+ - log_k 1.17 - delta_h 0 kcal + log_k 1.17 + delta_h 0 kcal Valerate- + Cd+2 = CdValerate+ - log_k 1.19 - delta_h 0 kcal + log_k 1.19 + delta_h 0 kcal Benzoate- + Cd+2 = CdBenzoate+ - log_k 1.9 - delta_h 0 kcal -2Benzoate- + Cd+2 = CdBenzoate2 - log_k 1.65 - delta_h 0 kcal + log_k 1.9 + delta_h 0 kcal +2 Benzoate- + Cd+2 = CdBenzoate2 + log_k 1.65 + delta_h 0 kcal Para_acetate- + Zn+2 = ZnPara_acetate+ - log_k 1.67 - delta_h 0 kcal + log_k 1.67 + delta_h 0 kcal Para_acetate- + Cd+2 = CdPara_acetate+ - log_k 1.15 - delta_h 0 kcal -2Para_acetate- + Cd+2 = CdPara_acetate2 - log_k 1.92 - delta_h 0 kcal + log_k 1.15 + delta_h 0 kcal +2 Para_acetate- + Cd+2 = CdPara_acetate2 + log_k 1.92 + delta_h 0 kcal Isophthalate-2 + Cd+2 = CdIsophthalate - log_k 1.33 - delta_h 0 kcal -2Isophthalate-2 + Cd+2 = CdIsophthalate2-2 - log_k 2.17 - delta_h 0 kcal -2Isophthalate-2 + Cd+2 + H+ = CdIsophthalate2H- - log_k 5.32 - delta_h 0 kcal -2H+ + Isobutyrate- + Cr(OH)2+ = CrIsobutyrate+2 + 2H2O - log_k 12.73 - delta_h 0 kcal -2H+ + Butanoate- + Cr(OH)2+ = CrButanoate+2 + 2H2O - log_k 12.74 - delta_h 0 kcal -2H+ + Isovalerate- + Cr(OH)2+ = CrIsovalerate+2 + 2H2O - log_k 12.76 - delta_h 0 kcal -2H+ + Valerate- + Cr(OH)2+ = CrValerate+2 + 2H2O - log_k 12.75 - delta_h 0 kcal + log_k 1.33 + delta_h 0 kcal +2 Isophthalate-2 + Cd+2 = CdIsophthalate2-2 + log_k 2.17 + delta_h 0 kcal +2 Isophthalate-2 + Cd+2 + H+ = CdIsophthalate2H- + log_k 5.32 + delta_h 0 kcal +2 H+ + Isobutyrate- + Cr(OH)2+ = CrIsobutyrate+2 + 2 H2O + log_k 12.73 + delta_h 0 kcal +2 H+ + Butanoate- + Cr(OH)2+ = CrButanoate+2 + 2 H2O + log_k 12.74 + delta_h 0 kcal +2 H+ + Isovalerate- + Cr(OH)2+ = CrIsovalerate+2 + 2 H2O + log_k 12.76 + delta_h 0 kcal +2 H+ + Valerate- + Cr(OH)2+ = CrValerate+2 + 2 H2O + log_k 12.75 + delta_h 0 kcal Isobutyrate- + Pb+2 = PbIsobutyrate+ - log_k 2.67 - delta_h 0 kcal + log_k 2.67 + delta_h 0 kcal Isovalerate- + Pb+2 = PbIsovalerate+ - log_k 2.05 - delta_h 0 kcal + log_k 2.05 + delta_h 0 kcal Valerate- + Pb+2 = PbValerate+ - log_k 2.06 - delta_h 0 kcal + log_k 2.06 + delta_h 0 kcal Benzoate- + Pb+2 = PbBenzoate+ - log_k 2.5 - delta_h 0 kcal + log_k 2.5 + delta_h 0 kcal Benzoate- + Mg+2 = MgBenzoate+ - log_k 0.1 - delta_h 0 kcal + log_k 0.1 + delta_h 0 kcal Benzoate- + Ca+2 = CaBenzoate+ - log_k 0.2 - delta_h 0 kcal + log_k 0.2 + delta_h 0 kcal Benzoate- + Zn+2 = ZnBenzoate+ - log_k 1.4 - delta_h 0 kcal + log_k 1.4 + delta_h 0 kcal Isophthalate-2 + Pb+2 = PbIsophthalate - log_k 2.17 - delta_h 0 kcal -2Isophthalate-2 + Pb+2 = PbIsophthalate2-2 - log_k 3.36 - delta_h 0 kcal + log_k 2.17 + delta_h 0 kcal +2 Isophthalate-2 + Pb+2 = PbIsophthalate2-2 + log_k 3.36 + delta_h 0 kcal Isophthalate-2 + Pb+2 + H+ = PbIsophthalateH+ - log_k 6.28 - delta_h 0 kcal -2H+ + Isobutyrate- + Hg(OH)2 = HgIsobutyrate+ + 2H2O - log_k 10.687 - delta_h 0 kcal -2H+ + Butanoate- + Hg(OH)2 = HgButanoate+ + 2H2O - log_k 10.097 - delta_h 0 kcal -2H+ + Isovalerate- + Hg(OH)2 = HgIsovalerate+ + 2H2O - log_k 10.717 - delta_h 0 kcal -2H+ + Valerate- + Hg(OH)2 = HgValerate+ + 2H2O - log_k 10.727 - delta_h 0 kcal -2H+ + Phthalate-2 + Hg(OH)2 = HgPhthalate + 2H2O - log_k 10.997 - delta_h 0 kcal + log_k 6.28 + delta_h 0 kcal +2 H+ + Isobutyrate- + Hg(OH)2 = HgIsobutyrate+ + 2 H2O + log_k 10.687 + delta_h 0 kcal +2 H+ + Butanoate- + Hg(OH)2 = HgButanoate+ + 2 H2O + log_k 10.097 + delta_h 0 kcal +2 H+ + Isovalerate- + Hg(OH)2 = HgIsovalerate+ + 2 H2O + log_k 10.717 + delta_h 0 kcal +2 H+ + Valerate- + Hg(OH)2 = HgValerate+ + 2 H2O + log_k 10.727 + delta_h 0 kcal +2 H+ + Phthalate-2 + Hg(OH)2 = HgPhthalate + 2 H2O + log_k 10.997 + delta_h 0 kcal Isobutyrate- + Ni+2 = NiIsobutyrate+ - log_k 1.23 - delta_h 0 kcal + log_k 1.23 + delta_h 0 kcal Isovalerate- + Ni+2 = NiIsovalerate+ - log_k 1.27 - delta_h 0 kcal + log_k 1.27 + delta_h 0 kcal Valerate- + Ni+2 = NiValerate+ - log_k 1.26 - delta_h 0 kcal + log_k 1.26 + delta_h 0 kcal Benzoate- + Ni+2 = NiBenzoate+ - log_k 1.4 - delta_h 0 kcal + log_k 1.4 + delta_h 0 kcal Para_acetate- + Ni+2 = NiPara_acetate+ - log_k 0.65 - delta_h 0 kcal -2Para_acetate- + Ni+2 = NiPara_acetate2 - log_k 0.99 - delta_h 0 kcal + log_k 0.65 + delta_h 0 kcal +2 Para_acetate- + Ni+2 = NiPara_acetate2 + log_k 0.99 + delta_h 0 kcal Phthalate-2 + Ni+2 + H+ = NiPhthalateH+ - log_k 6.1 - delta_h 0 kcal + log_k 6.1 + delta_h 0 kcal Cr+2 + Edta-4 + H+ = CrHEdta- - log_k 6.1 - delta_h 0 kcal -Cr(OH)2+ + Propanoate- + 2H+ = CrPropanoate+2 + 2H2O - log_k 14.32 - delta_h 0 kcal -Cr(OH)2+ + 2Propanoate- + 2H+ = CrPropanoate2+ + 2H2O - log_k 16.66 - delta_h 0 kcal -Cr(OH)2+ + 3Propanoate- + 2H+ = CrPropanoate3 + 2H2O - log_k 19.32 - delta_h 0 kcal + log_k 6.1 + delta_h 0 kcal +Cr(OH)2+ + Propanoate- + 2 H+ = CrPropanoate+2 + 2 H2O + log_k 14.32 + delta_h 0 kcal +Cr(OH)2+ + 2 Propanoate- + 2 H+ = CrPropanoate2+ + 2 H2O + log_k 16.66 + delta_h 0 kcal +Cr(OH)2+ + 3 Propanoate- + 2 H+ = CrPropanoate3 + 2 H2O + log_k 19.32 + delta_h 0 kcal Cr+2 + Acetate- = CrAcetate+ - log_k 1.8 - delta_h 0 kcal -Cr+2 + 2Acetate- = CrAcetate2 - log_k 2.92 - delta_h 0 kcal + log_k 1.8 + delta_h 0 kcal +Cr+2 + 2 Acetate- = CrAcetate2 + log_k 2.92 + delta_h 0 kcal Cu+2 + Edta-4 = CuEdta-2 - log_k 18.785 - delta_h 0 kcal + log_k 18.785 + delta_h 0 kcal Cu+2 + Edta-4 + H+ = CuHEdta- - log_k 11.195 - delta_h 0 kcal -Cu+2 + 2Acetate- = CuAcetate2 - log_k 3.63 - delta_h 0 kcal -Cu+2 + 3Acetate- = CuAcetate3- - log_k 3.1 - delta_h 0 kcal -Cu+2 + 4Acetate- = CuAcetate4-2 - log_k 2.9 - delta_h 0 kcal + log_k 11.195 + delta_h 0 kcal +Cu+2 + 2 Acetate- = CuAcetate2 + log_k 3.63 + delta_h 0 kcal +Cu+2 + 3 Acetate- = CuAcetate3- + log_k 3.1 + delta_h 0 kcal +Cu+2 + 4 Acetate- = CuAcetate4-2 + log_k 2.9 + delta_h 0 kcal Cu+2 + Propanoate- = CuPropanoate+ - log_k 2.22 - delta_h 0 kcal -Cu+2 + 2Propanoate- = CuPropanoate2 - log_k 2.62 - delta_h 0 kcal -Cu+2 + 3Propanoate- = CuPropanoate3- - log_k 2.3 - delta_h 0 kcal -Cu+2 + 4Propanoate- = CuPropanoate4-2 - log_k 2.7 - delta_h 0 kcal -Cu+2 + 2Methylamine = CuMethylamine2+2 - log_k 7.51 - delta_h 0 kcal + log_k 2.22 + delta_h 0 kcal +Cu+2 + 2 Propanoate- = CuPropanoate2 + log_k 2.62 + delta_h 0 kcal +Cu+2 + 3 Propanoate- = CuPropanoate3- + log_k 2.3 + delta_h 0 kcal +Cu+2 + 4 Propanoate- = CuPropanoate4-2 + log_k 2.7 + delta_h 0 kcal +Cu+2 + 2 Methylamine = CuMethylamine2+2 + log_k 7.51 + delta_h 0 kcal Cu+2 + Dimethylamine = CuDimethylamine+2 - log_k 3.21 - delta_h 0 kcal -Cu+2 + 2Dimethylamine = CuDimethylamine2+2 - log_k 5.66 - delta_h 0 kcal -Cu+2 + 3Dimethylamine = CuDimethylamine3+2 - log_k 7.26 - delta_h 0 kcal + log_k 3.21 + delta_h 0 kcal +Cu+2 + 2 Dimethylamine = CuDimethylamine2+2 + log_k 5.66 + delta_h 0 kcal +Cu+2 + 3 Dimethylamine = CuDimethylamine3+2 + log_k 7.26 + delta_h 0 kcal Cu+2 + Butanoate- = CuButanoate+ - log_k 2.14 - delta_h 0 kcal -Cu+2 + 2Butanoate- = CuButanoate2 - log_k 2.6 - delta_h 0 kcal -Cu+2 + 3Butanoate- = CuButanoate3- - log_k 2.3 - delta_h 0 kcal -Cu+2 + 4Butanoate- = CuButanoate4-2 - log_k 2.95 - delta_h 0 kcal + log_k 2.14 + delta_h 0 kcal +Cu+2 + 2 Butanoate- = CuButanoate2 + log_k 2.6 + delta_h 0 kcal +Cu+2 + 3 Butanoate- = CuButanoate3- + log_k 2.3 + delta_h 0 kcal +Cu+2 + 4 Butanoate- = CuButanoate4-2 + log_k 2.95 + delta_h 0 kcal Cu+2 + Isobutyrate- = CuIsobutyrate+ - log_k 2.17 - delta_h 0 kcal -Cu+2 + 2Isobutyrate- = CuIsobutyrate2 - log_k 2.7 - delta_h 0 kcal + log_k 2.17 + delta_h 0 kcal +Cu+2 + 2 Isobutyrate- = CuIsobutyrate2 + log_k 2.7 + delta_h 0 kcal Pb+2 + Citrate-3 = PbCitrate- - log_k 4.34 - delta_h 0 kcal -Pb+2 + 2Citrate-3 = PbCitrate2-4 - log_k 6.08 - delta_h 0 kcal -Pb+2 + 3Citrate-3 = PbCitrate3-7 - log_k 6.97 - delta_h 0 kcal + log_k 4.34 + delta_h 0 kcal +Pb+2 + 2 Citrate-3 = PbCitrate2-4 + log_k 6.08 + delta_h 0 kcal +Pb+2 + 3 Citrate-3 = PbCitrate3-7 + log_k 6.97 + delta_h 0 kcal Pb+2 + Nta-3 = PbNta- - log_k 11.6233 - delta_h 0 kcal + log_k 11.6233 + delta_h 0 kcal Pb+2 + Nta-3 + H+ = PbHNta - log_k 3.795 - delta_h 0 kcal + log_k 3.795 + delta_h 0 kcal Pb+2 + Edta-4 + H+ = PbHEdta- - log_k 9.68 - delta_h 0 kcal -Pb+2 + Edta-4 + 2H+ = PbH2Edta - log_k 6.22 - delta_h 0 kcal + log_k 9.68 + delta_h 0 kcal +Pb+2 + Edta-4 + 2 H+ = PbH2Edta + log_k 6.22 + delta_h 0 kcal Pb+2 + Acetate- = PbAcetate+ - log_k 2.87 - delta_h 0 kcal -Pb+2 + 2Acetate- = PbAcetate2 - log_k 4.08 - delta_h 0 kcal -Pb+2 + 3Acetate- = PbAcetate3- - log_k 3.59 - delta_h 0 kcal + log_k 2.87 + delta_h 0 kcal +Pb+2 + 2 Acetate- = PbAcetate2 + log_k 4.08 + delta_h 0 kcal +Pb+2 + 3 Acetate- = PbAcetate3- + log_k 3.59 + delta_h 0 kcal Pb+2 + Propanoate- = PbPropanoate+ - log_k 2.64 - delta_h 0 kcal -Pb+2 + 2Propanoate- = PbPropanoate2 - log_k 4.15 - delta_h 0 kcal -Pb+2 + 3Propanoate- = PbPropanoate3- - log_k 2.99 - delta_h 0 kcal -Pb+2 + 4Propanoate- = PbPropanoate4-2 - log_k 4.18 - delta_h 0 kcal + log_k 2.64 + delta_h 0 kcal +Pb+2 + 2 Propanoate- = PbPropanoate2 + log_k 4.15 + delta_h 0 kcal +Pb+2 + 3 Propanoate- = PbPropanoate3- + log_k 2.99 + delta_h 0 kcal +Pb+2 + 4 Propanoate- = PbPropanoate4-2 + log_k 4.18 + delta_h 0 kcal Pb+2 + Butanoate- = PbButanoate+ - log_k 2.125 - delta_h 0 kcal -Pb+2 + 2Butanoate- = PbButanoate2 - log_k 3.735 - delta_h 0 kcal -Pb+2 + 3Butanoate- = PbButanoate3- - log_k 4.125 - delta_h 0 kcal -Pb+2 + 4Butanoate- = PbButanoate4-2 - log_k 4.43 - delta_h 0 kcal + log_k 2.125 + delta_h 0 kcal +Pb+2 + 2 Butanoate- = PbButanoate2 + log_k 3.735 + delta_h 0 kcal +Pb+2 + 3 Butanoate- = PbButanoate3- + log_k 4.125 + delta_h 0 kcal +Pb+2 + 4 Butanoate- = PbButanoate4-2 + log_k 4.43 + delta_h 0 kcal Ni+2 + Citrate-3 = NiCitrate- - log_k 6.62 - delta_h 0 kcal + log_k 6.62 + delta_h 0 kcal Ni+2 + Citrate-3 + H+ = NiCitrateH - log_k 4.09 - delta_h 0 kcal -Ni+2 + Citrate-3 + 2H+ = NiCitrateH2+ - log_k 2.13 - delta_h 0 kcal + log_k 4.09 + delta_h 0 kcal +Ni+2 + Citrate-3 + 2 H+ = NiCitrateH2+ + log_k 2.13 + delta_h 0 kcal Ni+2 + Edta-4 = NiEdta-2 - log_k 20.33 - delta_h 0 kcal + log_k 20.33 + delta_h 0 kcal Ni+2 + Edta-4 + H+ = NiHEdta- - log_k 11.56 - delta_h 0 kcal + log_k 11.56 + delta_h 0 kcal Ni+2 + Propanoate- = NiPropanoate+ - log_k 0.73 - delta_h 0 kcal -Ni+2 + 2Propanoate- = NiPropanoate2 - log_k 0.8 - delta_h 0 kcal -Ni+2 + 3Propanoate- = NiPropanoate3- - log_k 0.97 - delta_h 0 kcal + log_k 0.73 + delta_h 0 kcal +Ni+2 + 2 Propanoate- = NiPropanoate2 + log_k 0.8 + delta_h 0 kcal +Ni+2 + 3 Propanoate- = NiPropanoate3- + log_k 0.97 + delta_h 0 kcal Ni+2 + Butanoate- = NiButanoate+ - log_k 0.77 - delta_h 0 kcal -Ni+2 + 2Butanoate- = NiButanoate2 - log_k 0.85 - delta_h 0 kcal -Ni+2 + 3Butanoate- = NiButanoate3- - log_k 1.34 - delta_h 0 kcal + log_k 0.77 + delta_h 0 kcal +Ni+2 + 2 Butanoate- = NiButanoate2 + log_k 0.85 + delta_h 0 kcal +Ni+2 + 3 Butanoate- = NiButanoate3- + log_k 1.34 + delta_h 0 kcal Ni+2 + Npropylamine = NiNpropylamine+2 - log_k 2.81 - delta_h 0 kcal -Ni+2 + 2Npropylamine = NiNpropylamine2+2 - log_k 5.02 - delta_h 0 kcal -Ni+2 + 3Npropylamine = NiNpropylamine3+2 - log_k 6.79 - delta_h 0 kcal -Ni+2 + 4Npropylamine = NiNpropylamine4+2 - log_k 8.31 - delta_h 0 kcal + log_k 2.81 + delta_h 0 kcal +Ni+2 + 2 Npropylamine = NiNpropylamine2+2 + log_k 5.02 + delta_h 0 kcal +Ni+2 + 3 Npropylamine = NiNpropylamine3+2 + log_k 6.79 + delta_h 0 kcal +Ni+2 + 4 Npropylamine = NiNpropylamine4+2 + log_k 8.31 + delta_h 0 kcal Ni+2 + Isopropylamine = NiIsopropylamine+2 - log_k 2.71 - delta_h 0 kcal -Ni+2 + 2Isopropylamine = NiIsopropylamine2+2 - log_k 4.86 - delta_h 0 kcal -Ni+2 + 3Isopropylamine = NiIsopropylamine3+2 - log_k 6.57 - delta_h 0 kcal -Ni+2 + 4Isopropylamine = NiIsopropylamine4+2 - log_k 7.83 - delta_h 0 kcal -Ni+2 + 5Isopropylamine = NiIsopropylamine5+2 - log_k 8.43 - delta_h 0 kcal + log_k 2.71 + delta_h 0 kcal +Ni+2 + 2 Isopropylamine = NiIsopropylamine2+2 + log_k 4.86 + delta_h 0 kcal +Ni+2 + 3 Isopropylamine = NiIsopropylamine3+2 + log_k 6.57 + delta_h 0 kcal +Ni+2 + 4 Isopropylamine = NiIsopropylamine4+2 + log_k 7.83 + delta_h 0 kcal +Ni+2 + 5 Isopropylamine = NiIsopropylamine5+2 + log_k 8.43 + delta_h 0 kcal Ag+ + Diethylamine = AgDiethylamine+ - log_k 3.965 - delta_h 0 kcal -Ag+ + 2Diethylamine = AgDiethylamine2+ - log_k 7.02 - delta_h 0 kcal + log_k 3.965 + delta_h 0 kcal +Ag+ + 2 Diethylamine = AgDiethylamine2+ + log_k 7.02 + delta_h 0 kcal Ag+ + Methylamine = AgMethylamine+ - log_k 3.18 - delta_h 0 kcal -Ag+ + 2Methylamine = AgMethylamine2+ - log_k 7.14 - delta_h 0 kcal + log_k 3.18 + delta_h 0 kcal +Ag+ + 2 Methylamine = AgMethylamine2+ + log_k 7.14 + delta_h 0 kcal Ag+ + Hexylamine = AgHexylamine+ - log_k 3.66 - delta_h 0 kcal -Ag+ + 2Hexylamine = AgHexylamine2+ - log_k 7.35 - delta_h 0 kcal + log_k 3.66 + delta_h 0 kcal +Ag+ + 2 Hexylamine = AgHexylamine2+ + log_k 7.35 + delta_h 0 kcal Ag+ + Isopropylamine = AgIsopropylamine+ - log_k 3.19 - delta_h 0 kcal -Ag+ + 2Isopropylamine = AgIsopropylamine2+ - log_k 6.85 - delta_h 0 kcal + log_k 3.19 + delta_h 0 kcal +Ag+ + 2 Isopropylamine = AgIsopropylamine2+ + log_k 6.85 + delta_h 0 kcal Ag+ + Nbutylamine = AgNbutylamine+ - log_k 3.55 - delta_h 0 kcal -Ag+ + 2Nbutylamine = AgNbutylamine2+ - log_k 7.77 - delta_h 0 kcal + log_k 3.55 + delta_h 0 kcal +Ag+ + 2 Nbutylamine = AgNbutylamine2+ + log_k 7.77 + delta_h 0 kcal Ag+ + Glutamate-2 = AgGlutamate- - log_k 3.79 - delta_h 0 kcal -Ag+ + 2Glutamate-2 = AgGlutamate2-3 - log_k 6.55 - delta_h 0 kcal + log_k 3.79 + delta_h 0 kcal +Ag+ + 2 Glutamate-2 = AgGlutamate2-3 + log_k 6.55 + delta_h 0 kcal Ag+ + Nta-3 = AgNta-2 - log_k 5.36 - delta_h 0 kcal + log_k 5.36 + delta_h 0 kcal Ag+ + Edta-4 = AgEdta-3 - log_k 7.355 - delta_h 0 kcal -Ag+ + 2Edta-4 = AgEdta2-7 - log_k 11.355 - delta_h 0 kcal + log_k 7.355 + delta_h 0 kcal +Ag+ + 2 Edta-4 = AgEdta2-7 + log_k 11.355 + delta_h 0 kcal Ag+ + Edta-4 + H+ = AgHEdta-2 - log_k 3.36 - delta_h 0 kcal + log_k 3.36 + delta_h 0 kcal Ag+ + Two_methylpyridine = AgTwo_methylpyridine+ - log_k 2.32 - delta_h 0 kcal -Ag+ + 2Two_methylpyridine = AgTwo_methylpyridine2+ - log_k 4.68 - delta_h 0 kcal + log_k 2.32 + delta_h 0 kcal +Ag+ + 2 Two_methylpyridine = AgTwo_methylpyridine2+ + log_k 4.68 + delta_h 0 kcal Ag+ + Three_methylpyridine = AgThree_methylpyridine+ - log_k 2.2 - delta_h 0 kcal -Ag+ + 2Three_methylpyridine = AgThree_methylpyridine2+ - log_k 4.46 - delta_h 0 kcal + log_k 2.2 + delta_h 0 kcal +Ag+ + 2 Three_methylpyridine = AgThree_methylpyridine2+ + log_k 4.46 + delta_h 0 kcal Ag+ + Four_methylpyridine = AgFour_methylpyridine+ - log_k 2.21 - delta_h 0 kcal -Ag+ + 2Four_methylpyridine = AgFour_methylpyridine2+ - log_k 4.67 - delta_h 0 kcal + log_k 2.21 + delta_h 0 kcal +Ag+ + 2 Four_methylpyridine = AgFour_methylpyridine2+ + log_k 4.67 + delta_h 0 kcal Ag+ + Npropylamine = AgNpropylamine+ - log_k 3.47 - delta_h 0 kcal -Ag+ + 2Npropylamine = AgNpropylamine2+ - log_k 7.51 - delta_h 0 kcal + log_k 3.47 + delta_h 0 kcal +Ag+ + 2 Npropylamine = AgNpropylamine2+ + log_k 7.51 + delta_h 0 kcal Zn+2 + Glutamate-2 = ZnGlutamate - log_k 3.79 - delta_h 0 kcal -Zn+2 + 2Glutamate-2 = ZnGlutamate2-2 - log_k 8.25 - delta_h 0 kcal -Zn+2 + 3Glutamate-2 = ZnGlutamate3-4 - log_k 9.8 - delta_h 0 kcal + log_k 3.79 + delta_h 0 kcal +Zn+2 + 2 Glutamate-2 = ZnGlutamate2-2 + log_k 8.25 + delta_h 0 kcal +Zn+2 + 3 Glutamate-2 = ZnGlutamate3-4 + log_k 9.8 + delta_h 0 kcal Zn+2 + Three_methylpyridine = ZnThree_methylpyridine+2 - log_k 1 - delta_h 0 kcal -Zn+2 + 2Three_methylpyridine = ZnThree_methylpyridine2+2 - log_k 2.1 - delta_h 0 kcal -Zn+2 + 3Three_methylpyridine = ZnThree_methylpyridine3+2 - log_k 2.6 - delta_h 0 kcal -Zn+2 + 4Three_methylpyridine = ZnThree_methylpyridine4+2 - log_k 3.7 - delta_h 0 kcal + log_k 1 + delta_h 0 kcal +Zn+2 + 2 Three_methylpyridine = ZnThree_methylpyridine2+2 + log_k 2.1 + delta_h 0 kcal +Zn+2 + 3 Three_methylpyridine = ZnThree_methylpyridine3+2 + log_k 2.6 + delta_h 0 kcal +Zn+2 + 4 Three_methylpyridine = ZnThree_methylpyridine4+2 + log_k 3.7 + delta_h 0 kcal Zn+2 + Glycine- = ZnGlycine+ - log_k 5.38 - delta_h 0 kcal -Zn+2 + 2Glycine- = ZnGlycine2 - log_k 9.81 - delta_h 0 kcal -Zn+2 + 3Glycine- = ZnGlycine3- - log_k 12.3 - delta_h 0 kcal + log_k 5.38 + delta_h 0 kcal +Zn+2 + 2 Glycine- = ZnGlycine2 + log_k 9.81 + delta_h 0 kcal +Zn+2 + 3 Glycine- = ZnGlycine3- + log_k 12.3 + delta_h 0 kcal Zn+2 + Citrate-3 = ZnCitrate- - log_k 6.1 - delta_h 0 kcal -Zn+2 + 2Citrate-3 = ZnCitrate2-4 - log_k 6.7 - delta_h 0 kcal + log_k 6.1 + delta_h 0 kcal +Zn+2 + 2 Citrate-3 = ZnCitrate2-4 + log_k 6.7 + delta_h 0 kcal Zn+2 + Citrate-3 + H+ = ZnCitrateH - log_k 3.78 - delta_h 0 kcal -Zn+2 + Citrate-3 + 2H+ = ZnCitrateH2+ - log_k 1.68 - delta_h 0 kcal + log_k 3.78 + delta_h 0 kcal +Zn+2 + Citrate-3 + 2 H+ = ZnCitrateH2+ + log_k 1.68 + delta_h 0 kcal Zn+2 + Phthalate-2 = ZnPhthalate - log_k 2.91 - delta_h 0 kcal -Zn+2 + 2Phthalate-2 = ZnPhthalate2-2 - log_k 4.2 - delta_h 0 kcal + log_k 2.91 + delta_h 0 kcal +Zn+2 + 2 Phthalate-2 = ZnPhthalate2-2 + log_k 4.2 + delta_h 0 kcal Pb+2 + Glutamate-2 = PbGlutamate - log_k 4.7 - delta_h 0 kcal -Pb+2 + 2Glutamate-2 = PbGlutamate2-2 - log_k 7.55 - delta_h 0 kcal + log_k 4.7 + delta_h 0 kcal +Pb+2 + 2 Glutamate-2 = PbGlutamate2-2 + log_k 7.55 + delta_h 0 kcal Pb+2 + Edta-4 = PbEdta-2 - log_k 17.88 - delta_h 0 kcal + log_k 17.88 + delta_h 0 kcal Pb+2 + Phthalate-2 = PbPhthalate - log_k 2.78 - delta_h 0 kcal -Pb+2 + 2Phthalate-2 = PbPhthalate2-2 - log_k 4.01 - delta_h 0 kcal + log_k 2.78 + delta_h 0 kcal +Pb+2 + 2 Phthalate-2 = PbPhthalate2-2 + log_k 4.01 + delta_h 0 kcal Pb+2 + Phthalate-2 + H+ = PbPhthalateH+ - log_k 6.56 - delta_h 0 kcal -Pb+2 + 4Acetate- = PbAcetate4-2 - log_k 3.4 - delta_h 0 kcal + log_k 6.56 + delta_h 0 kcal +Pb+2 + 4 Acetate- = PbAcetate4-2 + log_k 3.4 + delta_h 0 kcal Cu+2 + Nta-3 = CuNta- - log_k 13.1 - delta_h 0 kcal -Cu+2 + 2Nta-3 = CuNta2-4 - log_k 17.5 - delta_h 0 kcal + log_k 13.1 + delta_h 0 kcal +Cu+2 + 2 Nta-3 = CuNta2-4 + log_k 17.5 + delta_h 0 kcal Cu+2 + Methylamine = CuMethylamine+2 - log_k 4.11 - delta_h 0 kcal -Cu+2 + 3Methylamine = CuMethylamine3+2 - log_k 10.21 - delta_h 0 kcal -Cu+2 + 4Methylamine = CuMethylamine4+2 - log_k 12.08 - delta_h 0 kcal + log_k 4.11 + delta_h 0 kcal +Cu+2 + 3 Methylamine = CuMethylamine3+2 + log_k 10.21 + delta_h 0 kcal +Cu+2 + 4 Methylamine = CuMethylamine4+2 + log_k 12.08 + delta_h 0 kcal Cu+2 + Three_methylpyridine = CuThree_methylpyridine+2 - log_k 2.74 - delta_h 0 kcal -Cu+2 + 2Three_methylpyridine = CuThree_methylpyridine2+2 - log_k 4.8 - delta_h 0 kcal -Cu+2 + 3Three_methylpyridine = CuThree_methylpyridine3+2 - log_k 6.3 - delta_h 0 kcal -Cu+2 + 4Three_methylpyridine = CuThree_methylpyridine4+2 - log_k 7.2 - delta_h 0 kcal + log_k 2.74 + delta_h 0 kcal +Cu+2 + 2 Three_methylpyridine = CuThree_methylpyridine2+2 + log_k 4.8 + delta_h 0 kcal +Cu+2 + 3 Three_methylpyridine = CuThree_methylpyridine3+2 + log_k 6.3 + delta_h 0 kcal +Cu+2 + 4 Three_methylpyridine = CuThree_methylpyridine4+2 + log_k 7.2 + delta_h 0 kcal Cu+2 + Four_methylpyridine = CuFour_methylpyridine+2 - log_k 2.88 - delta_h 0 kcal -Cu+2 + 2Four_methylpyridine = CuFour_methylpyridine2+2 - log_k 5.16 - delta_h 0 kcal -Cu+2 + 3Four_methylpyridine = CuFour_methylpyridine3+2 - log_k 6.77 - delta_h 0 kcal -Cu+2 + 4Four_methylpyridine = CuFour_methylpyridine4+2 - log_k 8.08 - delta_h 0 kcal -Cu+2 + 5Four_methylpyridine = CuFour_methylpyridine5+2 - log_k 8.3 - delta_h 0 kcal + log_k 2.88 + delta_h 0 kcal +Cu+2 + 2 Four_methylpyridine = CuFour_methylpyridine2+2 + log_k 5.16 + delta_h 0 kcal +Cu+2 + 3 Four_methylpyridine = CuFour_methylpyridine3+2 + log_k 6.77 + delta_h 0 kcal +Cu+2 + 4 Four_methylpyridine = CuFour_methylpyridine4+2 + log_k 8.08 + delta_h 0 kcal +Cu+2 + 5 Four_methylpyridine = CuFour_methylpyridine5+2 + log_k 8.3 + delta_h 0 kcal # Duplicate entry #Cu+2 + Glutamate-2 = CuGlutamate # log_k 8.33 # delta_h 0 kcal Cu+2 + Citrate-3 = CuCitrate- - log_k 7.26 - delta_h 0 kcal -Cu+2 + 2Citrate-3 = CuCitrate2-4 - log_k 8.72 - delta_h 0 kcal + log_k 7.26 + delta_h 0 kcal +Cu+2 + 2 Citrate-3 = CuCitrate2-4 + log_k 8.72 + delta_h 0 kcal Cu+2 + Citrate-3 + H+ = CuHCitrate - log_k 4.27 - delta_h 0 kcal -Cu+2 + Citrate-3 + 2H+ = CuH2Citrate+ - log_k 2.2 - delta_h 0 kcal + log_k 4.27 + delta_h 0 kcal +Cu+2 + Citrate-3 + 2 H+ = CuH2Citrate+ + log_k 2.2 + delta_h 0 kcal Cu+2 + Isovalerate- = CuIsovalerate+ - log_k 2.08 - delta_h 0 kcal + log_k 2.08 + delta_h 0 kcal Cu+2 + Phthalate-2 = CuPhthalate - log_k 4.04 - delta_h 0 kcal + log_k 4.04 + delta_h 0 kcal Cu+2 + Phthalate-2 + H+ = CuPhthalateH+ - log_k 6.74 - delta_h 0 kcal - -gamma 4 0 + log_k 6.74 + delta_h 0 kcal + -gamma 4 0 Cu+2 + Valerate- = CuValerate+ - log_k 2.12 - delta_h 0 kcal -Cu+2 + 2Valerate- = CuValerate2 - log_k 3 - delta_h 0 kcal + log_k 2.12 + delta_h 0 kcal +Cu+2 + 2 Valerate- = CuValerate2 + log_k 3 + delta_h 0 kcal Ba+2 + Edta-4 = BaEdta-2 - log_k 8 - delta_h 0 kcal + log_k 8 + delta_h 0 kcal Ba+2 + Citrate-3 = BaCitrate- - log_k 4.06 - delta_h 0 kcal + log_k 4.06 + delta_h 0 kcal Ba+2 + Citrate-3 + H+ = BaCitrateH - log_k 2.7 - delta_h 0 kcal -Ba+2 + Citrate-3 + 2H+ = BaCitrateH2+ - log_k 1.27 - delta_h 0 kcal + log_k 2.7 + delta_h 0 kcal +Ba+2 + Citrate-3 + 2 H+ = BaCitrateH2+ + log_k 1.27 + delta_h 0 kcal Ba+2 + Propanoate- = BaPropanoate+ - log_k 0.34 - delta_h 0 kcal + log_k 0.34 + delta_h 0 kcal Ba+2 + Butanoate- = BaButanoate+ - log_k 0.94 - delta_h 0 kcal + log_k 0.94 + delta_h 0 kcal Cr+2 + Edta-4 = CrEdta-2 - log_k 13.61 - delta_h 0 kcal + log_k 13.61 + delta_h 0 kcal Ni+2 + Two_methylpyridine = NiTwo_methylpyridine+2 - log_k 0.4 - delta_h 0 kcal + log_k 0.4 + delta_h 0 kcal Ni+2 + Three_methylpyridine = NiThree_methylpyridine+2 - log_k 2.02 - delta_h 0 kcal -Ni+2 + 2Three_methylpyridine = NiThree_methylpyridine2+2 - log_k 3.3 - delta_h 0 kcal -Ni+2 + 3Three_methylpyridine = NiThree_methylpyridine3+2 - log_k 4.1 - delta_h 0 kcal -Ni+2 + 4Three_methylpyridine = NiThree_methylpyridine4+2 - log_k 4.6 - delta_h 0 kcal + log_k 2.02 + delta_h 0 kcal +Ni+2 + 2 Three_methylpyridine = NiThree_methylpyridine2+2 + log_k 3.3 + delta_h 0 kcal +Ni+2 + 3 Three_methylpyridine = NiThree_methylpyridine3+2 + log_k 4.1 + delta_h 0 kcal +Ni+2 + 4 Three_methylpyridine = NiThree_methylpyridine4+2 + log_k 4.6 + delta_h 0 kcal Ni+2 + Four_methylpyridine = NiFour_methylpyridine+2 - log_k 2.11 - delta_h 0 kcal -Ni+2 + 2Four_methylpyridine = NiFour_methylpyridine2+2 - log_k 3.59 - delta_h 0 kcal -Ni+2 + 3Four_methylpyridine = NiFour_methylpyridine3+2 - log_k 4.34 - delta_h 0 kcal -Ni+2 + 4Four_methylpyridine = NiFour_methylpyridine4+2 - log_k 4.7 - delta_h 0 kcal - -gamma 0 0.04 -Ni+2 + Diethylamine = NiDiethylamine1+2 - log_k 2.78 - delta_h 0 kcal -Ni+2 + 2Diethylamine = NiDiethylamine2+2 - log_k 4.97 - delta_h 0 kcal -Ni+2 + 3Diethylamine = NiDiethylamine3+2 - log_k 6.72 - delta_h 0 kcal -Ni+2 + 4Diethylamine = NiDiethylamine4+2 - log_k 7.93 - delta_h 0 kcal -Ni+2 + 5Diethylamine = NiDiethylamine5+2 - log_k 8.87 - delta_h 0 kcal -Ni+2 + 3Glycine- = NiGlycine3- - log_k 14.2 - delta_h 0 kcal + log_k 2.11 + delta_h 0 kcal +Ni+2 + 2 Four_methylpyridine = NiFour_methylpyridine2+2 + log_k 3.59 + delta_h 0 kcal +Ni+2 + 3 Four_methylpyridine = NiFour_methylpyridine3+2 + log_k 4.34 + delta_h 0 kcal +Ni+2 + 4 Four_methylpyridine = NiFour_methylpyridine4+2 + log_k 4.7 + delta_h 0 kcal + -gamma 0 0.04 +Ni+2 + Diethylamine = NiDiethylamine+2 + log_k 2.78 + delta_h 0 kcal +Ni+2 + 2 Diethylamine = NiDiethylamine2+2 + log_k 4.97 + delta_h 0 kcal +Ni+2 + 3 Diethylamine = NiDiethylamine3+2 + log_k 6.72 + delta_h 0 kcal +Ni+2 + 4 Diethylamine = NiDiethylamine4+2 + log_k 7.93 + delta_h 0 kcal +Ni+2 + 5 Diethylamine = NiDiethylamine5+2 + log_k 8.87 + delta_h 0 kcal +Ni+2 + 3 Glycine- = NiGlycine3- + log_k 14.2 + delta_h 0 kcal Cd+2 + Three_methylpyridine = CdThree_methylpyridine+2 - log_k 1.62 - delta_h 0 kcal -Cd+2 + 2Three_methylpyridine = CdThree_methylpyridine2+2 - log_k 2.8 - delta_h 0 kcal -Cd+2 + 3Three_methylpyridine = CdThree_methylpyridine3+2 - log_k 3.6 - delta_h 0 kcal -Cd+2 + 4Three_methylpyridine = CdThree_methylpyridine4+2 - log_k 4 - delta_h 0 kcal + log_k 1.62 + delta_h 0 kcal +Cd+2 + 2 Three_methylpyridine = CdThree_methylpyridine2+2 + log_k 2.8 + delta_h 0 kcal +Cd+2 + 3 Three_methylpyridine = CdThree_methylpyridine3+2 + log_k 3.6 + delta_h 0 kcal +Cd+2 + 4 Three_methylpyridine = CdThree_methylpyridine4+2 + log_k 4 + delta_h 0 kcal Cd+2 + Four_methylpyridine = CdFour_methylpyridine+2 - log_k 1.51 - delta_h 0 kcal -Cd+2 + 2Four_methylpyridine = CdFour_methylpyridine2+2 - log_k 2.5 - delta_h 0 kcal -Cd+2 + 3Four_methylpyridine = CdFour_methylpyridine3+2 - log_k 2.9 - delta_h 0 kcal -Cd+2 + 4Four_methylpyridine = CdFour_methylpyridine4+2 - log_k 4 - delta_h 0 kcal -Cd+2 + 3Glycine- = CdGlycine3- - log_k 10.7 - delta_h 0 kcal -Cd+2 + 2Phthalate-2 = CdPhthalate2-2 - log_k 2.88 - delta_h 0 kcal + log_k 1.51 + delta_h 0 kcal +Cd+2 + 2 Four_methylpyridine = CdFour_methylpyridine2+2 + log_k 2.5 + delta_h 0 kcal +Cd+2 + 3 Four_methylpyridine = CdFour_methylpyridine3+2 + log_k 2.9 + delta_h 0 kcal +Cd+2 + 4 Four_methylpyridine = CdFour_methylpyridine4+2 + log_k 4 + delta_h 0 kcal +Cd+2 + 3 Glycine- = CdGlycine3- + log_k 10.7 + delta_h 0 kcal +Cd+2 + 2 Phthalate-2 = CdPhthalate2-2 + log_k 2.88 + delta_h 0 kcal Cd+2 + Phthalate-2 + H+ = CdPhthalateH+ - log_k 5.88 - delta_h 0 kcal + log_k 5.88 + delta_h 0 kcal Cd+2 + Isovalerate- = CdIsovalerate+ - log_k 1.34 - delta_h 0 kcal -Cd+2 + 2Isovalerate- = CdIsovalerate2 - log_k 2.3 - delta_h 0 kcal -Cd+2 + 3Isovalerate- = CdIsovalerate3- - log_k 2.5 - delta_h 0 kcal -Cd+2 + 4Isovalerate- = CdIsovalerate4-2 - log_k 2 - delta_h 0 kcal -0.5Hg2+2 + Formate- = HgFormate - log_k 2.94 - delta_h 0 kcal -0.5Hg2+2 + 2Formate- = HgFormate2- - log_k 5.45 - delta_h 0 kcal -0.5Hg2+2 + Acetate- = HgAcetate - log_k 7.14 - delta_h 0 kcal -0.5Hg2+2 + 2Acetate- = HgAcetate2- - log_k 13.26 - delta_h 0 kcal -0.5Hg2+2 + Propanoate- = HgPropanoate - log_k 3.72 - delta_h 0 kcal -0.5Hg2+2 + 2Propanoate- = HgPropanoate2- - log_k 6.99 - delta_h 0 kcal -Hg(OH)2 + Propanoate- + 2H+ = HgPropanoate+ + 2H2O - log_k 9.417 - delta_h 0 kcal -Hg(OH)2 + 2Propanoate- + 2H+ = HgPropanoate2 + 2H2O - log_k 13.107 - delta_h 0 kcal + log_k 1.34 + delta_h 0 kcal +Cd+2 + 2 Isovalerate- = CdIsovalerate2 + log_k 2.3 + delta_h 0 kcal +Cd+2 + 3 Isovalerate- = CdIsovalerate3- + log_k 2.5 + delta_h 0 kcal +Cd+2 + 4 Isovalerate- = CdIsovalerate4-2 + log_k 2 + delta_h 0 kcal +0.5 Hg2+2 + Formate- = HgFormate + log_k 2.94 + delta_h 0 kcal +0.5 Hg2+2 + 2 Formate- = HgFormate2- + log_k 5.45 + delta_h 0 kcal +0.5 Hg2+2 + Acetate- = HgAcetate + log_k 7.14 + delta_h 0 kcal +0.5 Hg2+2 + 2 Acetate- = HgAcetate2- + log_k 13.26 + delta_h 0 kcal +0.5 Hg2+2 + Propanoate- = HgPropanoate + log_k 3.72 + delta_h 0 kcal +0.5 Hg2+2 + 2 Propanoate- = HgPropanoate2- + log_k 6.99 + delta_h 0 kcal +Hg(OH)2 + Propanoate- + 2 H+ = HgPropanoate+ + 2 H2O + log_k 9.417 + delta_h 0 kcal +Hg(OH)2 + 2 Propanoate- + 2 H+ = HgPropanoate2 + 2 H2O + log_k 13.107 + delta_h 0 kcal Tl+ + Citrate-3 = TlCitrate-2 - log_k 1.61 - delta_h 0 kcal + log_k 1.61 + delta_h 0 kcal Tl+ + Nta-3 = TlNta-2 - log_k 4.71 - delta_h 0 kcal + log_k 4.71 + delta_h 0 kcal Tl+ + Edta-4 = TlEdta-3 - log_k 6.41 - delta_h 0 kcal + log_k 6.41 + delta_h 0 kcal Tl+ + Acetate- = TlAcetate - log_k -0.11 - delta_h 0 kcal + log_k -0.11 + delta_h 0 kcal Zn+2 + Edta-4 = ZnEdta-2 - log_k 16.44 - delta_h 0 kcal + log_k 16.44 + delta_h 0 kcal Zn+2 + Edta-4 + H+ = ZnHEdta- - log_k 9 - delta_h 0 kcal + log_k 9 + delta_h 0 kcal Zn+2 + Acetate- = ZnAcetate+ - log_k 1.57 - delta_h 0 kcal -Zn+2 + 2Acetate- = ZnAcetate2 - log_k 1.9 - delta_h 0 kcal -Zn+2 + 3Acetate- = ZnAcetate3- - log_k 1.57 - delta_h 0 kcal -Zn+2 + 4Acetate- = ZnAcetate4-2 - log_k 1.36 - delta_h 0 kcal + log_k 1.57 + delta_h 0 kcal +Zn+2 + 2 Acetate- = ZnAcetate2 + log_k 1.9 + delta_h 0 kcal +Zn+2 + 3 Acetate- = ZnAcetate3- + log_k 1.57 + delta_h 0 kcal +Zn+2 + 4 Acetate- = ZnAcetate4-2 + log_k 1.36 + delta_h 0 kcal Zn+2 + Diethylamine = ZnDiethylamine+2 - log_k 2.51 - delta_h 0 kcal -Zn+2 + 2Diethylamine = ZnDiethylamine2+2 - log_k 4.96 - delta_h 20 kcal -Zn+2 + 3Diethylamine = ZnDiethylamine3+2 - log_k 7.49 - delta_h 0 kcal -Zn+2 + 4Diethylamine = ZnDiethylamine4+2 - log_k 9.83 - delta_h 0 kcal + log_k 2.51 + delta_h 0 kcal +Zn+2 + 2 Diethylamine = ZnDiethylamine2+2 + log_k 4.96 + delta_h 20 kcal +Zn+2 + 3 Diethylamine = ZnDiethylamine3+2 + log_k 7.49 + delta_h 0 kcal +Zn+2 + 4 Diethylamine = ZnDiethylamine4+2 + log_k 9.83 + delta_h 0 kcal Zn+2 + Propanoate- = ZnPropanoate+ - log_k 0.72 - delta_h 0 kcal -Zn+2 + 2Propanoate- = ZnPropanoate2 - log_k 1.23 - delta_h 0 kcal -Zn+2 + 3Propanoate- = ZnPropanoate3- - log_k 1.82 - delta_h 0 kcal -Zn+2 + 4Propanoate- = ZnPropanoate4-2 - log_k 1.36 - delta_h 0 kcal + log_k 0.72 + delta_h 0 kcal +Zn+2 + 2 Propanoate- = ZnPropanoate2 + log_k 1.23 + delta_h 0 kcal +Zn+2 + 3 Propanoate- = ZnPropanoate3- + log_k 1.82 + delta_h 0 kcal +Zn+2 + 4 Propanoate- = ZnPropanoate4-2 + log_k 1.36 + delta_h 0 kcal Zn+2 + Butanoate- = ZnButanoate+ - log_k 0.983 - delta_h 0 kcal -Zn+2 + 2Butanoate- = ZnButanoate2 - log_k 1.65 - delta_h 0 kcal -Zn+2 + 3Butanoate- = ZnButanoate3- - log_k 1.69 - delta_h 0 kcal -Zn+2 + 4Butanoate- = ZnButanoate4-2 - log_k 2.05 - delta_h 0 kcal + log_k 0.983 + delta_h 0 kcal +Zn+2 + 2 Butanoate- = ZnButanoate2 + log_k 1.65 + delta_h 0 kcal +Zn+2 + 3 Butanoate- = ZnButanoate3- + log_k 1.69 + delta_h 0 kcal +Zn+2 + 4 Butanoate- = ZnButanoate4-2 + log_k 2.05 + delta_h 0 kcal Zn+2 + Npropylamine = ZnNpropylamine+2 - log_k 2.42 - delta_h 0 kcal -Zn+2 + 2Npropylamine = ZnNpropylamine2+2 - log_k 4.85 - delta_h 0 kcal -Zn+2 + 3Npropylamine = ZnNpropylamine3+2 - log_k 7.38 - delta_h 0 kcal -Zn+2 + 4Npropylamine = ZnNpropylamine4+2 - log_k 9.49 - delta_h 0 kcal -Zn+2 + Isopropylamine = ZnIsopropylamine1+2 - log_k 2.37 - delta_h 0 kcal -Zn+2 + 2Isopropylamine = ZnIsopropylamine2+2 - log_k 4.67 - delta_h 0 kcal -Zn+2 + 3Isopropylamine = ZnIsopropylamine3+2 - log_k 7.14 - delta_h 0 kcal -Zn+2 + 4Isopropylamine = ZnIsopropylamine4+2 - log_k 9.44 - delta_h 0 kcal + log_k 2.42 + delta_h 0 kcal +Zn+2 + 2 Npropylamine = ZnNpropylamine2+2 + log_k 4.85 + delta_h 0 kcal +Zn+2 + 3 Npropylamine = ZnNpropylamine3+2 + log_k 7.38 + delta_h 0 kcal +Zn+2 + 4 Npropylamine = ZnNpropylamine4+2 + log_k 9.49 + delta_h 0 kcal +Zn+2 + Isopropylamine = ZnIsopropylamine+2 + log_k 2.37 + delta_h 0 kcal +Zn+2 + 2 Isopropylamine = ZnIsopropylamine2+2 + log_k 4.67 + delta_h 0 kcal +Zn+2 + 3 Isopropylamine = ZnIsopropylamine3+2 + log_k 7.14 + delta_h 0 kcal +Zn+2 + 4 Isopropylamine = ZnIsopropylamine4+2 + log_k 9.44 + delta_h 0 kcal H+ + Citrate-3 = CitrateH-2 - log_k 6.33 - delta_h 0 kcal -2H+ + Citrate-3 = CitrateH2- - log_k 11.05 - delta_h 0 kcal -3H+ + Citrate-3 = CitrateH3 - log_k 14.18 - delta_h 0 kcal + log_k 6.33 + delta_h 0 kcal +2 H+ + Citrate-3 = CitrateH2- + log_k 11.05 + delta_h 0 kcal +3 H+ + Citrate-3 = CitrateH3 + log_k 14.18 + delta_h 0 kcal Ca+2 + Citrate-3 = CaCitrate- - log_k 4.73 - delta_h 0 kcal + log_k 4.73 + delta_h 0 kcal Ca+2 + Citrate-3 + H+ = CaCitrateH - log_k 3.02 - delta_h 0 kcal -Ca+2 + Citrate-3 + 2H+ = CaCitrateH2+ - log_k 1.29 - delta_h 0 kcal + log_k 3.02 + delta_h 0 kcal +Ca+2 + Citrate-3 + 2 H+ = CaCitrateH2+ + log_k 1.29 + delta_h 0 kcal Mn+2 + Citrate-3 = MnCitrate- - log_k 5.28 - delta_h 0 kcal + log_k 5.28 + delta_h 0 kcal Mn+2 + Citrate-3 + H+ = MnCitrateH - log_k 3.02 - delta_h 0 kcal + log_k 3.02 + delta_h 0 kcal Fe+2 + Citrate-3 = FeCitrate- - log_k 5.7 - delta_h 0 kcal + log_k 5.7 + delta_h 0 kcal Fe+2 + Citrate-3 + H+ = FeCitrateH - log_k 3.5 - delta_h 0 kcal + log_k 3.5 + delta_h 0 kcal Fe+3 + Citrate-3 = FeCitrate - log_k 12.55 - delta_h 0 kcal + log_k 12.55 + delta_h 0 kcal Fe+3 + Citrate-3 + H+ = FeCitrateH+ - log_k 19.8 - delta_h 0 kcal + log_k 19.8 + delta_h 0 kcal H+ + Ethylenediamine = HEthylenediamine+ - log_k 9.96 - delta_h 0 kcal -2H+ + Ethylenediamine = H2Ethylenediamine+2 - log_k 16.85 - delta_h 0 kcal + log_k 9.96 + delta_h 0 kcal +2 H+ + Ethylenediamine = H2Ethylenediamine+2 + log_k 16.85 + delta_h 0 kcal Cu+2 + Ethylenediamine = CuEthylenediamine+2 - log_k 10.49 - delta_h 0 kcal -Cu+2 + 2Ethylenediamine = CuEthylenediamine2+2 - log_k 19.62 - delta_h 0 kcal + log_k 10.49 + delta_h 0 kcal +Cu+2 + 2 Ethylenediamine = CuEthylenediamine2+2 + log_k 19.62 + delta_h 0 kcal Cd+2 + Ethylenediamine = CdEthylenediamine+2 - log_k 5.61 - delta_h 0 kcal -Cd+2 + 2Ethylenediamine = CdEthylenediamine2+2 - log_k 10.34 - delta_h 0 kcal -Cd+2 + 3Ethylenediamine = CdEthylenediamine3+2 - log_k 12.26 - delta_h 0 kcal + log_k 5.61 + delta_h 0 kcal +Cd+2 + 2 Ethylenediamine = CdEthylenediamine2+2 + log_k 10.34 + delta_h 0 kcal +Cd+2 + 3 Ethylenediamine = CdEthylenediamine3+2 + log_k 12.26 + delta_h 0 kcal Ag+ + Ethylenediamine = AgEthylenediamine+ - log_k 4.7 - delta_h 0 kcal -Ag+ + 2Ethylenediamine = AgEthylenediamine2+ - log_k 7.7 - delta_h 0 kcal + log_k 4.7 + delta_h 0 kcal +Ag+ + 2 Ethylenediamine = AgEthylenediamine2+ + log_k 7.7 + delta_h 0 kcal Ag+ + Ethylenediamine + H+ = AgEthylenediamineH+2 - log_k 7.31 - delta_h 0 kcal -2Ag+ + Ethylenediamine = Ag2Ethylenediamine+2 - log_k 1.43 - delta_h 0 kcal -2Ag+ + 2Ethylenediamine = Ag2Ethylenediamine2+2 - log_k 12.73 - delta_h 0 kcal + log_k 7.31 + delta_h 0 kcal +2 Ag+ + Ethylenediamine = Ag2Ethylenediamine+2 + log_k 1.43 + delta_h 0 kcal +2 Ag+ + 2 Ethylenediamine = Ag2Ethylenediamine2+2 + log_k 12.73 + delta_h 0 kcal Ni+2 + Ethylenediamine = NiEthylenediamine+2 - log_k 7.24 - delta_h 0 kcal -Ni+2 + 2Ethylenediamine = NiEthylenediamine2+2 - log_k 13.36 - delta_h 0 kcal -Ni+2 + 3Ethylenediamine = NiEthylenediamine3+2 - log_k 17.54 - delta_h 0 kcal + log_k 7.24 + delta_h 0 kcal +Ni+2 + 2 Ethylenediamine = NiEthylenediamine2+2 + log_k 13.36 + delta_h 0 kcal +Ni+2 + 3 Ethylenediamine = NiEthylenediamine3+2 + log_k 17.54 + delta_h 0 kcal Pb+2 + Ethylenediamine = PbEthylenediamine+2 - log_k 7 - delta_h 0 kcal -Pb+2 + 2Ethylenediamine = PbEthylenediamine2+2 - log_k 8.45 - delta_h 0 kcal + log_k 7 + delta_h 0 kcal +Pb+2 + 2 Ethylenediamine = PbEthylenediamine2+2 + log_k 8.45 + delta_h 0 kcal Zn+2 + Ethylenediamine = ZnEthylenediamine+2 - log_k 5.65 - delta_h 0 kcal -Zn+2 + 2Ethylenediamine = ZnEthylenediamine2+2 - log_k 10.62 - delta_h 0 kcal -Zn+2 + 3Ethylenediamine = ZnEthylenediamine3+2 - log_k 13.83 - delta_h 0 kcal + log_k 5.65 + delta_h 0 kcal +Zn+2 + 2 Ethylenediamine = ZnEthylenediamine2+2 + log_k 10.62 + delta_h 0 kcal +Zn+2 + 3 Ethylenediamine = ZnEthylenediamine3+2 + log_k 13.83 + delta_h 0 kcal Mn+2 + Ethylenediamine = MnEthylenediamine+2 - log_k 2.67 - delta_h 0 kcal -Mn+2 + 2Ethylenediamine = MnEthylenediamine2+2 - log_k 4.2 - delta_h 0 kcal + log_k 2.67 + delta_h 0 kcal +Mn+2 + 2 Ethylenediamine = MnEthylenediamine2+2 + log_k 4.2 + delta_h 0 kcal Fe+2 + Ethylenediamine = FeEthylenediamine+2 - log_k 4.36 - delta_h 0 kcal -Fe+2 + 2Ethylenediamine = FeEthylenediamine2+2 - log_k 7.65 - delta_h 0 kcal -Fe+2 + 3Ethylenediamine = FeEthylenediamine3+2 - log_k 9.68 - delta_h 0 kcal + log_k 4.36 + delta_h 0 kcal +Fe+2 + 2 Ethylenediamine = FeEthylenediamine2+2 + log_k 7.65 + delta_h 0 kcal +Fe+2 + 3 Ethylenediamine = FeEthylenediamine3+2 + log_k 9.68 + delta_h 0 kcal H+ + Nta-3 = NtaH-2 - log_k 10.334 - delta_h 0 kcal -2H+ + Nta-3 = NtaH2- - log_k 13.27 - delta_h 0 kcal -3H+ + Nta-3 = NtaH3 - log_k 14.12 - delta_h 0 kcal + log_k 10.334 + delta_h 0 kcal +2 H+ + Nta-3 = NtaH2- + log_k 13.27 + delta_h 0 kcal +3 H+ + Nta-3 = NtaH3 + log_k 14.12 + delta_h 0 kcal H+ + Edta-4 = EdtaH-3 - log_k 9.96 - delta_h 0 kcal -2H+ + Edta-4 = EdtaH2-2 - log_k 16.21 - delta_h 0 kcal -3H+ + Edta-4 = EdtaH3- - log_k 18.86 - delta_h 0 kcal -4H+ + Edta-4 = EdtaH4 - log_k 20.93 - delta_h 0 kcal + log_k 9.96 + delta_h 0 kcal +2 H+ + Edta-4 = EdtaH2-2 + log_k 16.21 + delta_h 0 kcal +3 H+ + Edta-4 = EdtaH3- + log_k 18.86 + delta_h 0 kcal +4 H+ + Edta-4 = EdtaH4 + log_k 20.93 + delta_h 0 kcal H+ + Propanoate- = PropanoateH - log_k 4.874 - delta_h 0 kcal + log_k 4.874 + delta_h 0 kcal H+ + Methylamine = MethylamineH+ - log_k 10.72 - delta_h 0 kcal + log_k 10.72 + delta_h 0 kcal H+ + Hexylamine = HexylamineH+ - log_k 10.63 - delta_h 0 kcal + log_k 10.63 + delta_h 0 kcal H+ + Butanoate- = ButanoateH - log_k 4.73 - delta_h 0 kcal -4H+ + Nta-3 = NtaH4+ - log_k 16.224 - delta_h 0 kcal -5H+ + Edta-4 = EdtaH5+ - log_k 23.464 - delta_h 0 kcal + log_k 4.73 + delta_h 0 kcal +4 H+ + Nta-3 = NtaH4+ + log_k 16.224 + delta_h 0 kcal +5 H+ + Edta-4 = EdtaH5+ + log_k 23.464 + delta_h 0 kcal H+ + Diethylamine = DiethylamineH+ - log_k 10.774 - delta_h 0 kcal + log_k 10.774 + delta_h 0 kcal H+ + Trimethylamine = TrimethylamineH+ - log_k 9.8 - delta_h 0 kcal + log_k 9.8 + delta_h 0 kcal H+ + Two_methylpyridine = Two_methylpyridineH+ - log_k 5.95 - delta_h 0 kcal + log_k 5.95 + delta_h 0 kcal H+ + Three_methylpyridine = Three_methylpyridineH+ - log_k 5.7 - delta_h 0 kcal + log_k 5.7 + delta_h 0 kcal H+ + Four_methylpyridine = Four_methylpyridineH+ - log_k 6 - delta_h 0 kcal + log_k 6 + delta_h 0 kcal H+ + Npropylamine = NpropylamineH+ - log_k 10.8 - delta_h 0 kcal -3H+ + Glutamate-2 = GlutamateH3+ - log_k 16.6 - delta_h 0 kcal + log_k 10.8 + delta_h 0 kcal +3 H+ + Glutamate-2 = GlutamateH3+ + log_k 16.6 + delta_h 0 kcal H+ + Formate- = FormateH - log_k 3.745 - delta_h 0 kcal + log_k 3.745 + delta_h 0 kcal H+ + Isovalerate- = IsovalerateH - log_k 4.781 - delta_h 0 kcal + log_k 4.781 + delta_h 0 kcal H+ + Isobutyrate- = IsobutyrateH - log_k 4.849 - delta_h 0 kcal + log_k 4.849 + delta_h 0 kcal H+ + Valerate- = ValerateH - log_k 4.843 - delta_h 0 kcal + log_k 4.843 + delta_h 0 kcal Cd+2 + Edta-4 = CdEdta-2 - log_k 16.275 - delta_h 0 kcal + log_k 16.275 + delta_h 0 kcal Cd+2 + Nta-3 = CdNta- - log_k 9.4 - delta_h 0 kcal -Cd+2 + 2Nta-3 = CdNta2-4 - log_k 14.3 - delta_h 0 kcal + log_k 9.4 + delta_h 0 kcal +Cd+2 + 2 Nta-3 = CdNta2-4 + log_k 14.3 + delta_h 0 kcal Mg+2 + Ethylenediamine = MgEthylenediamine+2 - log_k 0.37 - delta_h 0 kcal + log_k 0.37 + delta_h 0 kcal Ca+2 + Ethylenediamine = CaEthylenediamine+2 - log_k 0.1 - delta_h 0 kcal + log_k 0.1 + delta_h 0 kcal Mg+2 + Citrate-3 = MgCitrate- - log_k 3.37 - delta_h 0 kcal + log_k 3.37 + delta_h 0 kcal Mg+2 + Citrate-3 + H+ = MgCitrateH - log_k 8.17 - delta_h 0 kcal -Mg+2 + Citrate-3 + 2H+ = MgCitrateH2+ - log_k 11.59 - delta_h 0 kcal + log_k 8.17 + delta_h 0 kcal +Mg+2 + Citrate-3 + 2 H+ = MgCitrateH2+ + log_k 11.59 + delta_h 0 kcal Na+ + Acetate- = NaAcetate - log_k -0.18 - delta_h 0 kcal + log_k -0.18 + delta_h 0 kcal Na+ + Phthalate-2 = NaPhthalate- - log_k 0.7 - delta_h 0 kcal + log_k 0.7 + delta_h 0 kcal Mg+2 + Acetate- = MgAcetate+ - log_k 1.27 - delta_h 0 kcal + log_k 1.27 + delta_h 0 kcal Mg+2 + Propanoate- = MgPropanoate+ - log_k 0.54 - delta_h 0 kcal + log_k 0.54 + delta_h 0 kcal Mg+2 + Butanoate- = MgButanoate+ - log_k 0.53 - delta_h 0 kcal + log_k 0.53 + delta_h 0 kcal Ca+2 + Acetate- = CaAcetate+ - log_k 1.18 - delta_h 0 kcal + log_k 1.18 + delta_h 0 kcal Ca+2 + Isophthalate-2 = CaIsophthalate - log_k 2 - delta_h 0 kcal + log_k 2 + delta_h 0 kcal Ca+2 + Propanoate- = CaPropanoate+ - log_k 0.5 - delta_h 0 kcal + log_k 0.5 + delta_h 0 kcal Ca+2 + Butanoate- = CaButanoate+ - log_k 0.51 - delta_h 0 kcal + log_k 0.51 + delta_h 0 kcal Ca+2 + Phthalate-2 = CaPhthalate - log_k 2.42 - delta_h 0 kcal + log_k 2.42 + delta_h 0 kcal Mn+2 + Acetate- = MnAcetate+ - log_k 1.4 - delta_h 0 kcal + log_k 1.4 + delta_h 0 kcal Fe+2 + Acetate- = FeAcetate+ - log_k 1.4 - delta_h 0 kcal -Hg(OH)2 + Acetate- + 2H+ = HgAcetate+ + 2H2O - log_k 9.417 - delta_h 0 kcal -Hg(OH)2 + 2Acetate- + 2H+ = HgAcetate2 + 2H2O - log_k 13.11 - delta_h 0 kcal -Hg(OH)2 + 3Acetate- + 2H+ = HgAcetate3- + 2H2O - log_k 19.38 - delta_h 0 kcal -Hg(OH)2 + 4Acetate- + 2H+ = HgAcetate4-2 + 2H2O - log_k 23.16 - delta_h 0 kcal + log_k 1.4 + delta_h 0 kcal +Hg(OH)2 + Acetate- + 2 H+ = HgAcetate+ + 2 H2O + log_k 9.417 + delta_h 0 kcal +Hg(OH)2 + 2 Acetate- + 2 H+ = HgAcetate2 + 2 H2O + log_k 13.11 + delta_h 0 kcal +Hg(OH)2 + 3 Acetate- + 2 H+ = HgAcetate3- + 2 H2O + log_k 19.38 + delta_h 0 kcal +Hg(OH)2 + 4 Acetate- + 2 H+ = HgAcetate4-2 + 2 H2O + log_k 23.16 + delta_h 0 kcal Fe+3 + Acetate- = FeAcetate+2 - log_k 3.21 - delta_h 0 kcal -Fe+3 + 2Acetate- = FeAcetate2+ - log_k 6.5 - delta_h 0 kcal -Fe+3 + 3Acetate- = FeAcetate3 - log_k 8.3 - delta_h 0 kcal + log_k 3.21 + delta_h 0 kcal +Fe+3 + 2 Acetate- = FeAcetate2+ + log_k 6.5 + delta_h 0 kcal +Fe+3 + 3 Acetate- = FeAcetate3 + log_k 8.3 + delta_h 0 kcal Ca+2 + Edta-4 = CaEdta-2 - log_k 12.4 - delta_h 0 kcal + log_k 12.4 + delta_h 0 kcal Ca+2 + Edta-4 + H+ = CaHEdta- - log_k 16 - delta_h 0 kcal + log_k 16 + delta_h 0 kcal Mg+2 + Edta-4 = MgEdta-2 - log_k 10.6 - delta_h 0 kcal + log_k 10.6 + delta_h 0 kcal Mg+2 + Edta-4 + H+ = MgHEdta- - log_k 15.1 - delta_h 0 kcal + log_k 15.1 + delta_h 0 kcal Fe+3 + Edta-4 = FeEdta- - log_k 27.7 - delta_h 0 kcal + log_k 27.7 + delta_h 0 kcal Fe+2 + Edta-4 = FeEdta-2 - log_k 16.1 - delta_h 0 kcal + log_k 16.1 + delta_h 0 kcal Fe+3 + Edta-4 + H+ = FeHEdta - log_k 29.2 - delta_h 0 kcal + log_k 29.2 + delta_h 0 kcal Fe+2 + Edta-4 + H+ = FeHEdta- - log_k 19.3 - delta_h 0 kcal + log_k 19.3 + delta_h 0 kcal Fe+3 + Edta-4 + H2O = FeOHEdta-2 + H+ - log_k 19.8 - delta_h 0 kcal -Fe+3 + Edta-4 + 2H2O = Fe(OH)2Edta-3 + 2H+ - log_k 9.7 - delta_h 0 kcal + log_k 19.8 + delta_h 0 kcal +Fe+3 + Edta-4 + 2 H2O = Fe(OH)2Edta-3 + 2 H+ + log_k 9.7 + delta_h 0 kcal Fe+2 + Edta-4 + H2O = FeOHEdta-3 + H+ - log_k 6.4 - delta_h 0 kcal -Fe+2 + Edta-4 + 2H2O = Fe(OH)2Edta-4 + 2H+ - log_k -4.3 - delta_h 0 kcal + log_k 6.4 + delta_h 0 kcal +Fe+2 + Edta-4 + 2 H2O = Fe(OH)2Edta-4 + 2 H+ + log_k -4.3 + delta_h 0 kcal Al+3 + Edta-4 = AlEdta- - log_k 18.9 - delta_h 0 kcal + log_k 18.9 + delta_h 0 kcal Al+3 + Edta-4 + H+ = AlHEdta - log_k 21.6 - delta_h 0 kcal + log_k 21.6 + delta_h 0 kcal K+ + Edta-4 = KEdta-3 - log_k 1.7 - delta_h 0 kcal + log_k 1.7 + delta_h 0 kcal Na+ + Edta-4 = NaEdta-3 - log_k 2.5 - delta_h 0 kcal + log_k 2.5 + delta_h 0 kcal PHASES Uraninite - UO2 + 4H+ = U+4 + 2H2O - log_k -4.7 - delta_h -18.63 kcal + UO2 + 4 H+ = U+4 + 2 H2O + log_k -4.7 + delta_h -18.63 kcal UO2(am) - UO2 + 4H+ = U+4 + 2H2O - log_k 0.934 - delta_h -26.23 kcal + UO2 + 4 H+ = U+4 + 2 H2O + log_k 0.934 + delta_h -26.23 kcal U4O9(C) - U4O9 + 18H+ + 2e- = 4U+4 + 9H2O - log_k -3.384 - delta_h -101.235 kcal + U4O9 + 18 H+ + 2 e- = 4 U+4 + 9 H2O + log_k -3.384 + delta_h -101.235 kcal U3O8(C) - U3O8 + 16H+ + 4e- = 3U+4 + 8H2O - log_k 21.107 + U3O8 + 16 H+ + 4 e- = 3 U+4 + 8 H2O + log_k 21.107 delta_h -116.02 kcal USiO4(C) - USiO4 + 4H+ = U+4 + H4SiO4 - log_k -7.62 + USiO4 + 4 H+ = U+4 + H4SiO4 + log_k -7.62 delta_h -14.548 kcal UF4(C) - UF4 = U+4 + 4F- - log_k -18.606 - delta_h -18.9 kcal + UF4 = U+4 + 4 F- + log_k -18.606 + delta_h -18.9 kcal UF4:2.5H2O - UF4:2.5H2O = U+4 + 4F- + 2.5H2O - log_k -27.57 - delta_h -0.588 kcal + UF4:2.5H2O = U+4 + 4 F- + 2.5 H2O + log_k -27.57 + delta_h -0.588 kcal U(HPO4)2 # Minteq equation: # U(HPO4)2 = U+4 + 2PO4-3 + 2H+ + 4H2O - U(HPO4)2 = U+4 + 2PO4-3 + 2H+ - log_k -51.584 - delta_h 3.84 kcal + U(HPO4)2 = U+4 + 2 PO4-3 + 2 H+ + log_k -51.584 + delta_h 3.84 kcal Ningyoite - CaU(PO4)2:2H2O = U+4 + Ca+2 + 2PO4-3 + 2H2O - log_k -53.906 - delta_h -2.27 kcal + CaU(PO4)2:2H2O = U+4 + Ca+2 + 2 PO4-3 + 2 H2O + log_k -53.906 + delta_h -2.27 kcal UO3(C) - UO3 + 2H+ = UO2+2 + H2O - log_k 7.719 + UO3 + 2 H+ = UO2+2 + H2O + log_k 7.719 delta_h -19.315 kcal Gummite - UO3 + 2H+ = UO2+2 + H2O - log_k 10.403 + UO3 + 2 H+ = UO2+2 + H2O + log_k 10.403 delta_h -23.015 kcal B_UO2(OH)2 - UO2(OH)2 + 2H+ = UO2+2 + 2H2O - log_k 5.544 - delta_h -13.73 kcal + UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O + log_k 5.544 + delta_h -13.73 kcal Schoepite - UO2(OH)2:H2O + 2H+ = UO2+2 + 3H2O - log_k 5.404 + UO2(OH)2:H2O + 2 H+ = UO2+2 + 3 H2O + log_k 5.404 delta_h -12.045 kcal Rutherfordine UO2CO3 = UO2+2 + CO3-2 - log_k -14.439 - delta_h -1.44 kcal - -analytical 4.54 -0.03318 -2716.0 + log_k -14.439 + delta_h -1.44 kcal + -analytical 4.54 -0.03318 -2716 (UO2)3(PO4)2 - (UO2)3(PO4)2 = 3UO2+2 + 2PO4-3 - log_k -49.037 - delta_h 94.9 kcal + (UO2)3(PO4)2 = 3 UO2+2 + 2 PO4-3 + log_k -49.037 + delta_h 94.9 kcal H-Autunite - H2(UO2)2(PO4)2 = 2H+ + 2UO2+2 + 2PO4-3 - log_k -47.931 - delta_h -3.6 kcal + H2(UO2)2(PO4)2 = 2 H+ + 2 UO2+2 + 2 PO4-3 + log_k -47.931 + delta_h -3.6 kcal Na-Autunite - Na2(UO2)2(PO4)2 = 2Na+ + 2UO2+2 + 2PO4-3 - log_k -47.409 - delta_h -0.46 kcal + Na2(UO2)2(PO4)2 = 2 Na+ + 2 UO2+2 + 2 PO4-3 + log_k -47.409 + delta_h -0.46 kcal K-Autunite - K2(UO2)2(PO4)2 = 2K+ + 2UO2+2 + 2PO4-3 - log_k -48.244 - delta_h 5.86 kcal + K2(UO2)2(PO4)2 = 2 K+ + 2 UO2+2 + 2 PO4-3 + log_k -48.244 + delta_h 5.86 kcal Uramphite - (NH4)2(UO2)2(PO4)2 = 2UO2+2 + 2NH4+ + 2PO4-3 - log_k -51.749 - delta_h 9.7 kcal + (NH4)2(UO2)2(PO4)2 = 2 UO2+2 + 2 NH4+ + 2 PO4-3 + log_k -51.749 + delta_h 9.7 kcal Saleeite - Mg(UO2)2(PO4)2 = 2UO2+2 + Mg+2 + 2PO4-3 - log_k -43.646 - delta_h -20.18 kcal + Mg(UO2)2(PO4)2 = 2 UO2+2 + Mg+2 + 2 PO4-3 + log_k -43.646 + delta_h -20.18 kcal Autunite - Ca(UO2)2(PO4)2 = 2UO2+2 + Ca+2 + 2PO4-3 - log_k -43.927 - delta_h -14.34 kcal + Ca(UO2)2(PO4)2 = 2 UO2+2 + Ca+2 + 2 PO4-3 + log_k -43.927 + delta_h -14.34 kcal Sr-Autunite - Sr(UO2)2(PO4)2 = 2UO2+2 + Sr+2 + 2PO4-3 - log_k -44.457 - delta_h -13.05 kcal + Sr(UO2)2(PO4)2 = 2 UO2+2 + Sr+2 + 2 PO4-3 + log_k -44.457 + delta_h -13.05 kcal Uranocircite - Ba(UO2)2(PO4)2 = 2UO2+2 + Ba+2 + 2PO4-3 - log_k -44.631 - delta_h -10.1 kcal + Ba(UO2)2(PO4)2 = 2 UO2+2 + Ba+2 + 2 PO4-3 + log_k -44.631 + delta_h -10.1 kcal Bassetite - Fe(UO2)2(PO4)2 = 2UO2+2 + Fe+2 + 2PO4-3 - log_k -44.485 - delta_h -19.9 kcal + Fe(UO2)2(PO4)2 = 2 UO2+2 + Fe+2 + 2 PO4-3 + log_k -44.485 + delta_h -19.9 kcal Torbernite - Cu(UO2)2(PO4)2 = 2UO2+2 + Cu+2 + 2PO4-3 - log_k -45.279 - delta_h -15.9 kcal + Cu(UO2)2(PO4)2 = 2 UO2+2 + Cu+2 + 2 PO4-3 + log_k -45.279 + delta_h -15.9 kcal Przhevalskite - Pb(UO2)2(PO4)2 = 2UO2+2 + Pb+2 + 2PO4-3 - log_k -44.365 - delta_h -11 kcal + Pb(UO2)2(PO4)2 = 2 UO2+2 + Pb+2 + 2 PO4-3 + log_k -44.365 + delta_h -11 kcal Uranophane - Ca(UO2)2(SiO3OH)2 + 6H+ = 2UO2+2 + Ca+2 + 2H4SiO4 - log_k 17.49 - delta_h -0 kcal + Ca(UO2)2(SiO3OH)2 + 6 H+ = 2 UO2+2 + Ca+2 + 2 H4SiO4 + log_k 17.49 + delta_h -0 kcal UO2(NO3)2 - UO2(NO3)2 = UO2+2 + 2NO3- - log_k 12.369 - delta_h -20.14 kcal + UO2(NO3)2 = UO2+2 + 2 NO3- + log_k 12.369 + delta_h -20.14 kcal UO2(NO3)2:2H2O - UO2(NO3)2:2H2O = UO2+2 + 2NO3- + 2H2O - log_k 4.851 - delta_h -6.06 kcal + UO2(NO3)2:2H2O = UO2+2 + 2 NO3- + 2 H2O + log_k 4.851 + delta_h -6.06 kcal UO2(NO3)2:3H2O - UO2(NO3)2:3H2O = UO2+2 + 2NO3- + 3H2O - log_k 3.642 - delta_h -2.405 kcal + UO2(NO3)2:3H2O = UO2+2 + 2 NO3- + 3 H2O + log_k 3.642 + delta_h -2.405 kcal UO2(NO3)2:6H2O - UO2(NO3)2:6H2O = UO2+2 + 2NO3- + 6H2O - log_k 2.3 - delta_h 4.77 kcal + UO2(NO3)2:6H2O = UO2+2 + 2 NO3- + 6 H2O + log_k 2.3 + delta_h 4.77 kcal Al(OH)3(a) - Al(OH)3 + 3H+ = Al+3 + 3H2O - log_k 10.38 + Al(OH)3 + 3 H+ = Al+3 + 3 H2O + log_k 10.38 delta_h -27.045 kcal AlOHSO4 AlOHSO4 + H+ = Al+3 + SO4-2 + H2O - log_k -3.23 - delta_h -0 kcal + log_k -3.23 + delta_h -0 kcal Al4(OH)10SO4 - Al4(OH)10SO4 + 10H+ = 4Al+3 + SO4-2 + 10H2O - log_k 22.7 - delta_h -0 kcal + Al4(OH)10SO4 + 10 H+ = 4 Al+3 + SO4-2 + 10 H2O + log_k 22.7 + delta_h -0 kcal AlumK - KAl(SO4)2:12H2O = K+ + Al+3 + 2SO4-2 + 12H2O - log_k -5.17 - delta_h 7.22 kcal + KAl(SO4)2:12H2O = K+ + Al+3 + 2 SO4-2 + 12 H2O + log_k -5.17 + delta_h 7.22 kcal Alunite - KAl3(SO4)2(OH)6 + 6H+ = K+ + 3Al+3 + 2SO4-2 + 6H2O - log_k -1.346 - delta_h 3.918 kcal + KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O + log_k -1.346 + delta_h 3.918 kcal Anhydrite CaSO4 = Ca+2 + SO4-2 - log_k -4.637 - delta_h -3.769 kcal + log_k -4.637 + delta_h -3.769 kcal Aragonite CaCO3 = Ca+2 + CO3-2 - log_k -8.36 - delta_h -2.615 kcal -# Minteq a_e has more constants than phreeqc, can not use + log_k -8.36 + delta_h -2.615 kcal +# Minteq a_e has more constants than phreeqc, can not use # -analytical_expression 10.21 -0.0217 0.0 0.0 5.170E-005 # This a_e is from wateq4f - -analytical -171.9773 -0.077993 2903.293 71.595 0.0 + -analytical -171.9773 -0.077993 2903.293 71.595 0 Artinite - MgCO3:Mg(OH)2:3H2O + 2H+ = 2Mg+2 + CO3-2 + 5H2O - log_k 9.6 + MgCO3:Mg(OH)2:3H2O + 2 H+ = 2 Mg+2 + CO3-2 + 5 H2O + log_k 9.6 delta_h -28.742 kcal BaF2 - BaF2 = Ba+2 + 2F- - log_k -5.76 - delta_h 1 kcal + BaF2 = Ba+2 + 2 F- + log_k -5.76 + delta_h 1 kcal Barite BaSO4 = Ba+2 + SO4-2 - log_k -9.976 - delta_h 6.28 kcal + log_k -9.976 + delta_h 6.28 kcal Boehmite - AlOOH + 3H+ = Al+3 + 2H2O - log_k 8.578 - delta_h -28.13 kcal + AlOOH + 3 H+ = Al+3 + 2 H2O + log_k 8.578 + delta_h -28.13 kcal Brucite - Mg(OH)2 + 2H+ = Mg+2 + 2H2O - log_k 16.792 - delta_h -25.84 kcal + Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O + log_k 16.792 + delta_h -25.84 kcal Calcite CaCO3 = Ca+2 + CO3-2 - log_k -8.475 - delta_h -2.585 kcal - -analytical_expression 13.543 -0.0401 -3000.0 + log_k -8.475 + delta_h -2.585 kcal + -analytical_expression 13.543 -0.0401 -3000 Celestite SrSO4 = Sr+2 + SO4-2 - log_k -6.465 - delta_h -0.47 kcal + log_k -6.465 + delta_h -0.47 kcal Chalcedony - SiO2 + 2H2O = H4SiO4 - log_k -3.523 - delta_h 4.615 kcal + SiO2 + 2 H2O = H4SiO4 + log_k -3.523 + delta_h 4.615 kcal Chrysotile - Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + H2O - log_k 32.188 + Mg3Si2O5(OH)4 + 6 H+ = 3 Mg+2 + 2 H4SiO4 + H2O + log_k 32.188 delta_h -52.485 kcal Clinoenstatite - MgSiO3 + H2O + 2H+ = Mg+2 + H4SiO4 - log_k 11.338 + MgSiO3 + H2O + 2 H+ = Mg+2 + H4SiO4 + log_k 11.338 delta_h -20.015 kcal Cristobalite - SiO2 + 2H2O = H4SiO4 - log_k -3.587 - delta_h 5.5 kcal + SiO2 + 2 H2O = H4SiO4 + log_k -3.587 + delta_h 5.5 kcal Diaspore - AlOOH + 3H+ = Al+3 + 2H2O - log_k 6.873 - delta_h -24.63 kcal + AlOOH + 3 H+ = Al+3 + 2 H2O + log_k 6.873 + delta_h -24.63 kcal Diopside - CaMgSi2O6 + 2H2O + 4H+ = Ca+2 + Mg+2 + 2H4SiO4 - log_k 19.886 - delta_h -32.28 kcal + CaMgSi2O6 + 2 H2O + 4 H+ = Ca+2 + Mg+2 + 2 H4SiO4 + log_k 19.886 + delta_h -32.28 kcal Dolomite - CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2 - log_k -17 - delta_h -8.29 kcal + CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 + log_k -17 + delta_h -8.29 kcal Epsomite - MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O - log_k -2.14 - delta_h 2.82 kcal + MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O + log_k -2.14 + delta_h 2.82 kcal Sepiolite(c) - Mg2Si3O7.5OH:3H2O + 0.5H2O + 4H+ = 2Mg+2 + 3H4SiO4 - log_k 15.913 + Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4 + log_k 15.913 delta_h -27.268 kcal Ferrihydrite - Fe(OH)3 + 3H+ = Fe+3 + 3H2O - log_k 4.891 - delta_h -0 kcal + Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O + log_k 4.891 + delta_h -0 kcal Fe3(OH)8 - Fe3(OH)8 + 8H+ = 2Fe+3 + Fe+2 + 8H2O - log_k 20.222 - delta_h -0 kcal + Fe3(OH)8 + 8 H+ = 2 Fe+3 + Fe+2 + 8 H2O + log_k 20.222 + delta_h -0 kcal Fe(OH)2.7Cl0.3 - Fe(OH)2.7Cl0.3 + 2.7H+ = Fe+3 + 2.7H2O + 0.3Cl- - log_k -3.04 - delta_h -0 kcal + Fe(OH)2.7Cl0.3 + 2.7 H+ = Fe+3 + 2.7 H2O + 0.3 Cl- + log_k -3.04 + delta_h -0 kcal FeS(ppt) FeS + H+ = Fe+2 + HS- - log_k -3.915 - delta_h -0 kcal + log_k -3.915 + delta_h -0 kcal Fe2(SO4)3 - Fe2(SO4)3 = 2Fe+3 + 3SO4-2 - log_k 3.58 - delta_h -59.12 kcal + Fe2(SO4)3 = 2 Fe+3 + 3 SO4-2 + log_k 3.58 + delta_h -59.12 kcal Hydroxyapatite - Ca5(PO4)3OH + H+ = 5Ca+2 + 3PO4-3 + H2O - log_k -44.199 - delta_h -0 kcal + Ca5(PO4)3OH + H+ = 5 Ca+2 + 3 PO4-3 + H2O + log_k -44.199 + delta_h -0 kcal FCO3Apatite # FCO3APATITE = 9.496Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F- - Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F- - log_k -114.4 - delta_h 39.39 kcal + Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316 Ca+2 + 0.36 Na+ + 0.144 Mg+2 + 4.8 PO4-3 + 1.2 CO3-2 + 2.48 F- + log_k -114.4 + delta_h 39.39 kcal Fluorite - CaF2 = Ca+2 + 2F- - log_k -10.96 - delta_h 4.71 kcal -# Minteq a_e has more constants than phreeqc, can not use + CaF2 = Ca+2 + 2 F- + log_k -10.96 + delta_h 4.71 kcal +# Minteq a_e has more constants than phreeqc, can not use # -analytical_expression -109.25 -0.0024 3120.98 37.624 4.900E-007 2088.47 298.4 # This a_e is from wateq4f - -analytical 66.348 0.0 -4298.2 -25.271 0.0 + -analytical 66.348 0 -4298.2 -25.271 0 Forsterite - Mg2SiO4 + 4H+ = 2Mg+2 + H4SiO4 - log_k 28.298 - delta_h -48.51 kcal + Mg2SiO4 + 4 H+ = 2 Mg+2 + H4SiO4 + log_k 28.298 + delta_h -48.51 kcal Gibbsite(C) - Al(OH)3 + 3H+ = Al+3 + 3H2O - log_k 8.77 - delta_h -22.8 kcal + Al(OH)3 + 3 H+ = Al+3 + 3 H2O + log_k 8.77 + delta_h -22.8 kcal Al2O3 - Al2O3 + 6H+ = 2Al+3 + 3H2O - log_k 22.98 - delta_h -0 kcal + Al2O3 + 6 H+ = 2 Al+3 + 3 H2O + log_k 22.98 + delta_h -0 kcal Goethite - FeOOH + 3H+ = Fe+3 + 2H2O - log_k 0.5 - delta_h -14.48 kcal + FeOOH + 3 H+ = Fe+3 + 2 H2O + log_k 0.5 + delta_h -14.48 kcal Greenalite - Fe3Si2O5(OH)4 + 6H+ = 3Fe+2 + 2H4SiO4 + H2O - log_k 20.81 - delta_h -0 kcal + Fe3Si2O5(OH)4 + 6 H+ = 3 Fe+2 + 2 H4SiO4 + H2O + log_k 20.81 + delta_h -0 kcal Greigite - Fe3S4 + 4H+ = 2Fe+3 + Fe+2 + 4HS- - log_k -45.035 - delta_h -0 kcal + Fe3S4 + 4 H+ = 2 Fe+3 + Fe+2 + 4 HS- + log_k -45.035 + delta_h -0 kcal Gypsum - CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O + CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O # # Log K gives too small a solubility < 10 mmol/L # # D. Parkhurst 7/13/09, Replacing log K with minteq version 4 log K -# log_k -4.848 +# log_k -4.848 # delta_h 0.261 kcal - log_k -4.61 - delta_h 1 kJ + log_k -4.61 + delta_h 1 kJ Halite NaCl = Na+ + Cl- - log_k 1.582 - delta_h 0.918 kcal + log_k 1.582 + delta_h 0.918 kcal Hematite - Fe2O3 + 6H+ = 2Fe+3 + 3H2O - log_k -4.008 + Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O + log_k -4.008 delta_h -30.845 kcal Huntite - CaMg3(CO3)4 = 3Mg+2 + Ca+2 + 4CO3-2 - log_k -29.968 - delta_h -25.76 kcal + CaMg3(CO3)4 = 3 Mg+2 + Ca+2 + 4 CO3-2 + log_k -29.968 + delta_h -25.76 kcal Hydromagnesite - Mg5(CO3)4(OH)2:4H2O + 2H+ = 5Mg+2 + 4CO3-2 + 6H2O - log_k -8.766 - delta_h -52.21 kcal + Mg5(CO3)4(OH)2:4H2O + 2 H+ = 5 Mg+2 + 4 CO3-2 + 6 H2O + log_k -8.766 + delta_h -52.21 kcal Jarosite-Na - NaFe3(SO4)2(OH)6 + 6H+ = Na+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -11.2 - delta_h -36.18 kcal + NaFe3(SO4)2(OH)6 + 6 H+ = Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -11.2 + delta_h -36.18 kcal Jarosite-K - KFe3(SO4)2(OH)6 + 6H+ = K+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -14.8 - delta_h -31.28 kcal + KFe3(SO4)2(OH)6 + 6 H+ = K+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -14.8 + delta_h -31.28 kcal Jarosite-H - (H3O)Fe3(SO4)2(OH)6 + 5H+ = 3Fe+3 + 2SO4-2 + 7H2O - log_k -12.1 - delta_h -55.15 kcal + (H3O)Fe3(SO4)2(OH)6 + 5 H+ = 3 Fe+3 + 2 SO4-2 + 7 H2O + log_k -12.1 + delta_h -55.15 kcal Mackinawite FeS + H+ = Fe+2 + HS- - log_k -4.648 - delta_h -0 kcal + log_k -4.648 + delta_h -0 kcal Magadiite - NaSi7O13(OH)3:3H2O + H+ + 9H2O = Na+ + 7H4SiO4 - log_k -14.3 - delta_h -0 kcal + NaSi7O13(OH)3:3H2O + H+ + 9 H2O = Na+ + 7 H4SiO4 + log_k -14.3 + delta_h -0 kcal Maghemite - Fe2O3 + 6H+ = 2Fe+3 + 3H2O - log_k 6.386 - delta_h -0 kcal + Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O + log_k 6.386 + delta_h -0 kcal Magnesite MgCO3 = Mg+2 + CO3-2 - log_k -8.029 - delta_h -6.169 kcal + log_k -8.029 + delta_h -6.169 kcal Magnetite - Fe3O4 + 8H+ = 2Fe+3 + Fe+2 + 4H2O - log_k 3.737 - delta_h -50.46 kcal + Fe3O4 + 8 H+ = 2 Fe+3 + Fe+2 + 4 H2O + log_k 3.737 + delta_h -50.46 kcal Melanterite - FeSO4:7H2O = Fe+2 + SO4-2 + 7H2O - log_k -2.47 - delta_h 2.86 kcal + FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O + log_k -2.47 + delta_h 2.86 kcal Mirabilite - Na2SO4:10H2O = 2Na+ + SO4-2 + 10H2O - log_k -1.114 - delta_h 18.987 kcal + Na2SO4:10H2O = 2 Na+ + SO4-2 + 10 H2O + log_k -1.114 + delta_h 18.987 kcal Natron - Na2CO3:10H2O = 2Na+ + CO3-2 + 10H2O - log_k -1.311 - delta_h 15.745 kcal + Na2CO3:10H2O = 2 Na+ + CO3-2 + 10 H2O + log_k -1.311 + delta_h 15.745 kcal Nesquehonite - MgCO3:3H2O = Mg+2 + CO3-2 + 3H2O - log_k -5.621 - delta_h -5.789 kcal + MgCO3:3H2O = Mg+2 + CO3-2 + 3 H2O + log_k -5.621 + delta_h -5.789 kcal Phlogopite - KMg3AlSi3O10(OH)2 + 10H+ = K+ + 3Mg+2 + Al+3 + 3H4SiO4 - log_k 66.3 - delta_h -86.36 kcal + KMg3AlSi3O10(OH)2 + 10 H+ = K+ + 3 Mg+2 + Al+3 + 3 H4SiO4 + log_k 66.3 + delta_h -86.36 kcal Pyrite - FeS2 + 2H+ + 2e- = Fe+2 + 2HS- - log_k -18.479 - delta_h 11.3 kcal + FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS- + log_k -18.479 + delta_h 11.3 kcal Quartz - SiO2 + 2H2O = H4SiO4 - log_k -4.006 - delta_h 6.22 kcal + SiO2 + 2 H2O = H4SiO4 + log_k -4.006 + delta_h 6.22 kcal Sepiolite(a) - Mg2Si3O7.5OH:3H2O + 0.5H2O + 4H+ = 2Mg+2 + 3H4SiO4 - log_k 18.78 - delta_h -0 kcal + Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4 + log_k 18.78 + delta_h -0 kcal Siderite FeCO3 = Fe+2 + CO3-2 - log_k -10.55 - delta_h -5.328 kcal + log_k -10.55 + delta_h -5.328 kcal SiO2(a) - SiO2 + 2H2O = H4SiO4 - log_k -3.018 - delta_h 4.44 kcal + SiO2 + 2 H2O = H4SiO4 + log_k -3.018 + delta_h 4.44 kcal SiO2(am) - SiO2 + 2H2O = H4SiO4 - log_k -2.71 - delta_h 3.91 kcal + SiO2 + 2 H2O = H4SiO4 + log_k -2.71 + delta_h 3.91 kcal SrF2 - SrF2 = Sr+2 + 2F- - log_k -8.54 - delta_h 1.25 kcal + SrF2 = Sr+2 + 2 F- + log_k -8.54 + delta_h 1.25 kcal Strengite - FePO4:2H2O = Fe+3 + PO4-3 + 2H2O - log_k -26.4 - delta_h -2.03 kcal + FePO4:2H2O = Fe+3 + PO4-3 + 2 H2O + log_k -26.4 + delta_h -2.03 kcal Strontianite SrCO3 = Sr+2 + CO3-2 - log_k -9.25 - delta_h -0.69 kcal + log_k -9.25 + delta_h -0.69 kcal Talc - Mg3Si4O10(OH)2 + 4H2O + 6H+ = 3Mg+2 + 4H4SiO4 - log_k 23.055 + Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4 + log_k 23.055 delta_h -35.005 kcal Thenardite - Na2SO4 = 2Na+ + SO4-2 - log_k -0.179 - delta_h -0.572 kcal + Na2SO4 = 2 Na+ + SO4-2 + log_k -0.179 + delta_h -0.572 kcal Thermonatrite - Na2CO3:H2O = 2Na+ + CO3-2 + H2O - log_k 0.125 - delta_h -2.802 kcal + Na2CO3:H2O = 2 Na+ + CO3-2 + H2O + log_k 0.125 + delta_h -2.802 kcal Tremolite - Ca2Mg5Si8O22(OH)2 + 8H2O + 14H+ = 2Ca+2 + 5Mg+2 + 8H4SiO4 - log_k 56.546 + Ca2Mg5Si8O22(OH)2 + 8 H2O + 14 H+ = 2 Ca+2 + 5 Mg+2 + 8 H4SiO4 + log_k 56.546 delta_h -96.615 kcal Vivianite - Fe3(PO4)2:8H2O = 3Fe+2 + 2PO4-3 + 8H2O - log_k -36 - delta_h -0 kcal + Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O + log_k -36 + delta_h -0 kcal Witherite BaCO3 = Ba+2 + CO3-2 - log_k -8.585 - delta_h 0.36 kcal + log_k -8.585 + delta_h 0.36 kcal Pyrolusite - MnO2 + 4H+ + e- = Mn+3 + 2H2O - log_k 15.861 - delta_h -29.18 kcal + MnO2 + 4 H+ + e- = Mn+3 + 2 H2O + log_k 15.861 + delta_h -29.18 kcal Birnessite - MnO2 + 4H+ + e- = Mn+3 + 2H2O - log_k 18.091 - delta_h -0 kcal + MnO2 + 4 H+ + e- = Mn+3 + 2 H2O + log_k 18.091 + delta_h -0 kcal Nsutite - MnO2 + 4H+ + e- = Mn+3 + 2H2O - log_k 17.504 - delta_h -0 kcal + MnO2 + 4 H+ + e- = Mn+3 + 2 H2O + log_k 17.504 + delta_h -0 kcal Bixbyite - Mn2O3 + 6H+ = 2Mn+3 + 3H2O - log_k -0.611 + Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O + log_k -0.611 delta_h -15.245 kcal Hausmannite - Mn3O4 + 8H+ + 2e- = 3Mn+2 + 4H2O - log_k 61.54 - delta_h -80.14 kcal + Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O + log_k 61.54 + delta_h -80.14 kcal Pyrocroite - Mn(OH)2 + 2H+ = Mn+2 + 2H2O - log_k 15.088 - delta_h -22.59 kcal + Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O + log_k 15.088 + delta_h -22.59 kcal Manganite - MnOOH + 3H+ = Mn+3 + 2H2O - log_k -0.238 - delta_h -0 kcal + MnOOH + 3 H+ = Mn+3 + 2 H2O + log_k -0.238 + delta_h -0 kcal Rhodochrosite MnCO3 = Mn+2 + CO3-2 - log_k -10.41 - delta_h -2.079 kcal + log_k -10.41 + delta_h -2.079 kcal MnCl2:4H2O - MnCl2:4H2O = Mn+2 + 2Cl- + 4H2O - log_k 2.71 - delta_h 17.38 kcal + MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O + log_k 2.71 + delta_h 17.38 kcal MnS(Green) MnS + H+ = Mn+2 + HS- - log_k 3.8 - delta_h -5.79 kcal + log_k 3.8 + delta_h -5.79 kcal MnSO4 MnSO4 = Mn+2 + SO4-2 - log_k 2.669 - delta_h -15.48 kcal + log_k 2.669 + delta_h -15.48 kcal Mn2(SO4)3 - Mn2(SO4)3 = 2Mn+3 + 3SO4-2 - log_k -5.711 - delta_h -39.06 kcal + Mn2(SO4)3 = 2 Mn+3 + 3 SO4-2 + log_k -5.711 + delta_h -39.06 kcal Mn3(PO4)2 - Mn3(PO4)2 = 3Mn+2 + 2PO4-3 - log_k -23.827 - delta_h 2.12 kcal + Mn3(PO4)2 = 3 Mn+2 + 2 PO4-3 + log_k -23.827 + delta_h 2.12 kcal CuMetal Cu = Cu+ + e- - log_k -8.76 - delta_h 17.13 kcal + log_k -8.76 + delta_h 17.13 kcal Nantokite CuCl = Cu+ + Cl- - log_k -6.76 - delta_h 9.98 kcal + log_k -6.76 + delta_h 9.98 kcal CuF CuF = Cu+ + F- - log_k 7.08 - delta_h -12.37 kcal + log_k 7.08 + delta_h -12.37 kcal Cuprite - Cu2O + 2H+ = 2Cu+ + H2O - log_k -1.55 - delta_h 6.245 kcal + Cu2O + 2 H+ = 2 Cu+ + H2O + log_k -1.55 + delta_h 6.245 kcal Chalcocite - Cu2S + H+ = 2Cu+ + HS- - log_k -34.619 - delta_h 49.35 kcal + Cu2S + H+ = 2 Cu+ + HS- + log_k -34.619 + delta_h 49.35 kcal Djurleite - Cu0.066Cu1.868S + H+ = 0.066Cu+2 + 1.868Cu+ + HS- - log_k -33.92 - delta_h 47.881 kcal + Cu0.066Cu1.868S + H+ = 0.066 Cu+2 + 1.868 Cu+ + HS- + log_k -33.92 + delta_h 47.881 kcal Anilite - Cu0.25Cu1.5S + H+ = 0.25Cu+2 + 1.5Cu+ + HS- - log_k -31.878 - delta_h 43.535 kcal + Cu0.25Cu1.5S + H+ = 0.25 Cu+2 + 1.5 Cu+ + HS- + log_k -31.878 + delta_h 43.535 kcal BlaubleiII - Cu0.6Cu0.8S + H+ = 0.6Cu+2 + 0.8Cu+ + HS- - log_k -27.279 - delta_h -0 kcal + Cu0.6Cu0.8S + H+ = 0.6 Cu+2 + 0.8 Cu+ + HS- + log_k -27.279 + delta_h -0 kcal BlaubleiI - Cu0.9Cu0.2S + H+ = 0.9Cu+2 + 0.2Cu+ + HS- - log_k -24.162 - delta_h -0 kcal + Cu0.9Cu0.2S + H+ = 0.9 Cu+2 + 0.2 Cu+ + HS- + log_k -24.162 + delta_h -0 kcal Covellite CuS + H+ = Cu+2 + HS- - log_k -23.038 - delta_h 24.01 kcal + log_k -23.038 + delta_h 24.01 kcal Cu2SO4 - Cu2SO4 = 2Cu+ + SO4-2 - log_k -1.95 - delta_h -4.56 kcal + Cu2SO4 = 2 Cu+ + SO4-2 + log_k -1.95 + delta_h -4.56 kcal CuprousFerrite - CuFeO2 + 4H+ = Cu+ + Fe+3 + 2H2O - log_k -8.92 - delta_h -3.8 kcal + CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O + log_k -8.92 + delta_h -3.8 kcal Melanothallite - CuCl2 = Cu+2 + 2Cl- - log_k 3.73 - delta_h -12.32 kcal + CuCl2 = Cu+2 + 2 Cl- + log_k 3.73 + delta_h -12.32 kcal CuCO3 CuCO3 = Cu+2 + CO3-2 - log_k -9.63 - delta_h -0 kcal + log_k -9.63 + delta_h -0 kcal CuF2 - CuF2 = Cu+2 + 2F- - log_k -0.62 - delta_h -13.32 kcal + CuF2 = Cu+2 + 2 F- + log_k -0.62 + delta_h -13.32 kcal CuF2:2H2O - CuF2:2H2O = Cu+2 + 2F- + 2H2O - log_k -4.55 - delta_h -3.65 kcal + CuF2:2H2O = Cu+2 + 2 F- + 2 H2O + log_k -4.55 + delta_h -3.65 kcal Cu(OH)2 - Cu(OH)2 + 2H+ = Cu+2 + 2H2O - log_k 8.64 - delta_h -15.25 kcal + Cu(OH)2 + 2 H+ = Cu+2 + 2 H2O + log_k 8.64 + delta_h -15.25 kcal Atacamite - Cu2(OH)3Cl + 3H+ = 2Cu+2 + 3H2O + Cl- - log_k 7.34 - delta_h -18.69 kcal + Cu2(OH)3Cl + 3 H+ = 2 Cu+2 + 3 H2O + Cl- + log_k 7.34 + delta_h -18.69 kcal Cu2(OH)3NO3 - Cu2(OH)3NO3 + 3H+ = 2Cu+2 + 3H2O + NO3- - log_k 9.24 - delta_h -17.35 kcal + Cu2(OH)3NO3 + 3 H+ = 2 Cu+2 + 3 H2O + NO3- + log_k 9.24 + delta_h -17.35 kcal Antlerite - Cu3(OH)4SO4 + 4H+ = 3Cu+2 + 4H2O + SO4-2 - log_k 8.29 - delta_h -0 kcal + Cu3(OH)4SO4 + 4 H+ = 3 Cu+2 + 4 H2O + SO4-2 + log_k 8.29 + delta_h -0 kcal Brochantite - Cu4(OH)6SO4 + 6H+ = 4Cu+2 + 6H2O + SO4-2 - log_k 15.34 - delta_h -0 kcal + Cu4(OH)6SO4 + 6 H+ = 4 Cu+2 + 6 H2O + SO4-2 + log_k 15.34 + delta_h -0 kcal Langite - Cu4(OH)6SO4:H2O + 6H+ = 4Cu+2 + 7H2O + SO4-2 - log_k 16.79 - delta_h -39.61 kcal + Cu4(OH)6SO4:H2O + 6 H+ = 4 Cu+2 + 7 H2O + SO4-2 + log_k 16.79 + delta_h -39.61 kcal Tenorite - CuO + 2H+ = Cu+2 + H2O - log_k 7.62 - delta_h -15.24 kcal + CuO + 2 H+ = Cu+2 + H2O + log_k 7.62 + delta_h -15.24 kcal CuOCuSO4 - CuO:CuSO4 + 2H+ = 2Cu+2 + H2O + SO4-2 - log_k 11.53 + CuO:CuSO4 + 2 H+ = 2 Cu+2 + H2O + SO4-2 + log_k 11.53 delta_h -35.575 kcal Cu3(PO4)2 - Cu3(PO4)2 = 3Cu+2 + 2PO4-3 - log_k -36.85 - delta_h -0 kcal + Cu3(PO4)2 = 3 Cu+2 + 2 PO4-3 + log_k -36.85 + delta_h -0 kcal Cu3(PO4)2:3H2O - Cu3(PO4)2:3H2O = 3Cu+2 + 2PO4-3 + 3H2O - log_k -35.12 - delta_h -0 kcal + Cu3(PO4)2:3H2O = 3 Cu+2 + 2 PO4-3 + 3 H2O + log_k -35.12 + delta_h -0 kcal CuSO4 CuSO4 = Cu+2 + SO4-2 - log_k 3.01 - delta_h -18.14 kcal + log_k 3.01 + delta_h -18.14 kcal Chalcanthite - CuSO4:5H2O = Cu+2 + SO4-2 + 5H2O - log_k -2.64 - delta_h 1.44 kcal + CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O + log_k -2.64 + delta_h 1.44 kcal Dioptase - CuSiO3:H2O + 2H+ = Cu+2 + H4SiO4 - log_k 6.5 - delta_h -8.96 kcal + CuSiO3:H2O + 2 H+ = Cu+2 + H4SiO4 + log_k 6.5 + delta_h -8.96 kcal CupricFerrite - CuFe2O4 + 8H+ = Cu+2 + 2Fe+3 + 4H2O - log_k 5.88 - delta_h -38.69 kcal + CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O + log_k 5.88 + delta_h -38.69 kcal Chalcopyrite - CuFeS2 + 2H+ = Cu+2 + Fe+2 + 2HS- - log_k -35.27 - delta_h 35.48 kcal + CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS- + log_k -35.27 + delta_h 35.48 kcal CuBr CuBr = Cu+ + Br- - log_k -8.21 - delta_h 13.08 kcal + log_k -8.21 + delta_h 13.08 kcal CuI CuI = Cu+ + I- - log_k -11.89 - delta_h 20.14 kcal + log_k -11.89 + delta_h 20.14 kcal ZnMetal - Zn = Zn+2 + 2e- - log_k 25.757 - delta_h -36.78 kcal + Zn = Zn+2 + 2 e- + log_k 25.757 + delta_h -36.78 kcal ZnCl2 - ZnCl2 = Zn+2 + 2Cl- - log_k 7.03 - delta_h -17.48 kcal + ZnCl2 = Zn+2 + 2 Cl- + log_k 7.03 + delta_h -17.48 kcal Smithsonite ZnCO3 = Zn+2 + CO3-2 - log_k -10 - delta_h -4.36 kcal + log_k -10 + delta_h -4.36 kcal ZnCO3:H2O ZnCO3:H2O = Zn+2 + CO3-2 + H2O - log_k -10.26 - delta_h -0 kcal + log_k -10.26 + delta_h -0 kcal ZnF2 - ZnF2 = Zn+2 + 2F- - log_k -1.52 - delta_h -13.08 kcal + ZnF2 = Zn+2 + 2 F- + log_k -1.52 + delta_h -13.08 kcal Zn(OH)2(A) - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 12.45 - delta_h -0 kcal + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 12.45 + delta_h -0 kcal Zn(OH)2(C) - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 12.2 - delta_h -0 kcal + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 12.2 + delta_h -0 kcal Zn(OH)2(B) - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.75 - delta_h -0 kcal + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.75 + delta_h -0 kcal Zn(OH)2(G) - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.71 - delta_h -0 kcal + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.71 + delta_h -0 kcal Zn(OH)2(E) - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.5 - delta_h -0 kcal + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.5 + delta_h -0 kcal Zn2(OH)3Cl - Zn2(OH)3Cl + 3H+ = 2Zn+2 + 3H2O + Cl- - log_k 15.2 - delta_h -0 kcal + Zn2(OH)3Cl + 3 H+ = 2 Zn+2 + 3 H2O + Cl- + log_k 15.2 + delta_h -0 kcal Zn5(OH)8Cl2 - Zn5(OH)8Cl2 + 8H+ = 5Zn+2 + 8H2O + 2Cl- - log_k 38.5 - delta_h -0 kcal + Zn5(OH)8Cl2 + 8 H+ = 5 Zn+2 + 8 H2O + 2 Cl- + log_k 38.5 + delta_h -0 kcal Zn2(OH)2SO4 - Zn2(OH)2SO4 + 2H+ = 2Zn+2 + 2H2O + SO4-2 - log_k 7.5 - delta_h -0 kcal + Zn2(OH)2SO4 + 2 H+ = 2 Zn+2 + 2 H2O + SO4-2 + log_k 7.5 + delta_h -0 kcal Zn4(OH)6SO4 - Zn4(OH)6SO4 + 6H+ = 4Zn+2 + 6H2O + SO4-2 - log_k 28.4 - delta_h -0 kcal + Zn4(OH)6SO4 + 6 H+ = 4 Zn+2 + 6 H2O + SO4-2 + log_k 28.4 + delta_h -0 kcal Zn(NO3)2:6H2O - Zn(NO3)2:6H2O = Zn+2 + 2NO3- + 6H2O - log_k 3.44 - delta_h 5.51 kcal + Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O + log_k 3.44 + delta_h 5.51 kcal ZnO(Active) - ZnO + 2H+ = Zn+2 + H2O - log_k 11.31 - delta_h -0 kcal + ZnO + 2 H+ = Zn+2 + H2O + log_k 11.31 + delta_h -0 kcal Zincite - ZnO + 2H+ = Zn+2 + H2O - log_k 11.14 - delta_h -21.86 kcal + ZnO + 2 H+ = Zn+2 + H2O + log_k 11.14 + delta_h -21.86 kcal Zn3O(SO4)2 - Zn3O(SO4)2 + 2H+ = 3Zn+2 + 2SO4-2 + H2O - log_k 19.02 - delta_h -62 kcal + Zn3O(SO4)2 + 2 H+ = 3 Zn+2 + 2 SO4-2 + H2O + log_k 19.02 + delta_h -62 kcal Zn3(PO4)2:4H2O - Zn3(PO4)2:4H2O = 3Zn+2 + 2PO4-3 + 4H2O - log_k -32.04 - delta_h -0 kcal + Zn3(PO4)2:4H2O = 3 Zn+2 + 2 PO4-3 + 4 H2O + log_k -32.04 + delta_h -0 kcal ZnS(A) ZnS + H+ = Zn+2 + HS- - log_k -9.052 - delta_h 3.67 kcal + log_k -9.052 + delta_h 3.67 kcal Sphalerite ZnS + H+ = Zn+2 + HS- - log_k -11.618 - delta_h 8.25 kcal + log_k -11.618 + delta_h 8.25 kcal Wurtzite ZnS + H+ = Zn+2 + HS- - log_k -9.682 - delta_h 5.06 kcal + log_k -9.682 + delta_h 5.06 kcal ZnSiO3 - ZnSiO3 + 2H+ + H2O = Zn+2 + H4SiO4 - log_k 2.93 - delta_h -18.27 kcal + ZnSiO3 + 2 H+ + H2O = Zn+2 + H4SiO4 + log_k 2.93 + delta_h -18.27 kcal Willemite - Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4 - log_k 15.33 - delta_h -33.37 kcal + Zn2SiO4 + 4 H+ = 2 Zn+2 + H4SiO4 + log_k 15.33 + delta_h -33.37 kcal Zincosite ZnSO4 = Zn+2 + SO4-2 - log_k 3.01 - delta_h -19.2 kcal + log_k 3.01 + delta_h -19.2 kcal ZnSO4:H2O ZnSO4:H2O = Zn+2 + SO4-2 + H2O - log_k -0.57 - delta_h -10.64 kcal + log_k -0.57 + delta_h -10.64 kcal Bianchite - ZnSO4:6H2O = Zn+2 + SO4-2 + 6H2O - log_k -1.765 - delta_h -0.16 kcal + ZnSO4:6H2O = Zn+2 + SO4-2 + 6 H2O + log_k -1.765 + delta_h -0.16 kcal Goslarite - ZnSO4:7H2O = Zn+2 + SO4-2 + 7H2O - log_k -1.96 - delta_h 3.3 kcal + ZnSO4:7H2O = Zn+2 + SO4-2 + 7 H2O + log_k -1.96 + delta_h 3.3 kcal ZnBr2:2H2O - ZnBr2:2H2O = Zn+2 + 2Br- + 2H2O - log_k 5.21 - delta_h -7.51 kcal + ZnBr2:2H2O = Zn+2 + 2 Br- + 2 H2O + log_k 5.21 + delta_h -7.51 kcal ZnI2 - ZnI2 = Zn+2 + 2I- - log_k 7.23 - delta_h -13.44 kcal + ZnI2 = Zn+2 + 2 I- + log_k 7.23 + delta_h -13.44 kcal CdMetal - Cd = Cd+2 + 2e- - log_k 13.49 - delta_h -18 kcal + Cd = Cd+2 + 2 e- + log_k 13.49 + delta_h -18 kcal Cd(Gamma) - Cd = Cd+2 + 2e- - log_k 13.59 - delta_h -18.14 kcal + Cd = Cd+2 + 2 e- + log_k 13.59 + delta_h -18.14 kcal Otavite CdCO3 = Cd+2 + CO3-2 - log_k -13.74 - delta_h -0.58 kcal + log_k -13.74 + delta_h -0.58 kcal CdCl2 - CdCl2 = Cd+2 + 2Cl- - log_k -0.68 - delta_h -4.47 kcal + CdCl2 = Cd+2 + 2 Cl- + log_k -0.68 + delta_h -4.47 kcal CdCl2:H2O - CdCl2:H2O = Cd+2 + 2Cl- + H2O - log_k -1.71 - delta_h -1.82 kcal + CdCl2:H2O = Cd+2 + 2 Cl- + H2O + log_k -1.71 + delta_h -1.82 kcal CdCl2:2.5H2O - CdCl2:2.5H2O = Cd+2 + 2Cl- + 2.5H2O - log_k -1.94 - delta_h 1.71 kcal + CdCl2:2.5H2O = Cd+2 + 2 Cl- + 2.5 H2O + log_k -1.94 + delta_h 1.71 kcal CdF2 - CdF2 = Cd+2 + 2F- - log_k -2.98 - delta_h -9.72 kcal + CdF2 = Cd+2 + 2 F- + log_k -2.98 + delta_h -9.72 kcal Cd(OH)2(A) - Cd(OH)2 + 2H+ = Cd+2 + 2H2O - log_k 13.73 - delta_h -20.77 kcal + Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O + log_k 13.73 + delta_h -20.77 kcal Cd(OH)2(C) - Cd(OH)2 + 2H+ = Cd+2 + 2H2O - log_k 13.65 - delta_h -0 kcal + Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O + log_k 13.65 + delta_h -0 kcal CdOHCl CdOHCl + H+ = Cd+2 + H2O + Cl- - log_k 3.52 - delta_h -7.407 kcal + log_k 3.52 + delta_h -7.407 kcal Cd3(OH)4SO4 - Cd3(OH)4SO4 + 4H+ = 3Cd+2 + 4H2O + SO4-2 - log_k 22.56 - delta_h -0 kcal + Cd3(OH)4SO4 + 4 H+ = 3 Cd+2 + 4 H2O + SO4-2 + log_k 22.56 + delta_h -0 kcal Cd3(OH)2(SO4)2 - Cd3(OH)2(SO4)2 + 2H+ = 3Cd+2 + 2H2O + 2SO4-2 - log_k 6.71 - delta_h -0 kcal + Cd3(OH)2(SO4)2 + 2 H+ = 3 Cd+2 + 2 H2O + 2 SO4-2 + log_k 6.71 + delta_h -0 kcal Cd4(OH)6SO4 - Cd4(OH)6SO4 + 6H+ = 4Cd+2 + 6H2O + SO4-2 - log_k 28.4 - delta_h -0 kcal + Cd4(OH)6SO4 + 6 H+ = 4 Cd+2 + 6 H2O + SO4-2 + log_k 28.4 + delta_h -0 kcal Monteponite - CdO + 2H+ = Cd+2 + H2O - log_k 15.12 - delta_h -24.76 kcal + CdO + 2 H+ = Cd+2 + H2O + log_k 15.12 + delta_h -24.76 kcal Cd3(PO4)2 - Cd3(PO4)2 = 3Cd+2 + 2PO4-3 - log_k -32.6 - delta_h -0 kcal + Cd3(PO4)2 = 3 Cd+2 + 2 PO4-3 + log_k -32.6 + delta_h -0 kcal CdSiO3 - CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4 - log_k 9.06 - delta_h -16.63 kcal + CdSiO3 + H2O + 2 H+ = Cd+2 + H4SiO4 + log_k 9.06 + delta_h -16.63 kcal CdSO4 CdSO4 = Cd+2 + SO4-2 - log_k -0.1 - delta_h -14.74 kcal + log_k -0.1 + delta_h -14.74 kcal CdSO4:H2O CdSO4:H2O = Cd+2 + SO4-2 + H2O - log_k -1.657 - delta_h -7.52 kcal + log_k -1.657 + delta_h -7.52 kcal CdSO4:2.67H2O - CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67H2O - log_k -1.873 - delta_h -4.3 kcal + CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67 H2O + log_k -1.873 + delta_h -4.3 kcal Greenockite CdS + H+ = Cd+2 + HS- - log_k -15.93 - delta_h 16.36 kcal + log_k -15.93 + delta_h 16.36 kcal CdBr2:4H2O - CdBr2:4H2O = Cd+2 + 2Br- + 4H2O - log_k -2.42 - delta_h 7.23 kcal + CdBr2:4H2O = Cd+2 + 2 Br- + 4 H2O + log_k -2.42 + delta_h 7.23 kcal CdI2 - CdI2 = Cd+2 + 2I- - log_k -3.61 - delta_h 4.08 kcal + CdI2 = Cd+2 + 2 I- + log_k -3.61 + delta_h 4.08 kcal PbMetal - Pb = Pb+2 + 2e- - log_k 4.27 - delta_h 0.4 kcal + Pb = Pb+2 + 2 e- + log_k 4.27 + delta_h 0.4 kcal Cotunnite - PbCl2 = Pb+2 + 2Cl- - log_k -4.77 - delta_h 5.6 kcal + PbCl2 = Pb+2 + 2 Cl- + log_k -4.77 + delta_h 5.6 kcal Matlockite PbClF = Pb+2 + Cl- + F- - log_k -9.43 - delta_h 7.95 kcal + log_k -9.43 + delta_h 7.95 kcal Phosgenite - PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2 - log_k -19.81 - delta_h -0 kcal + PbCl2:PbCO3 = 2 Pb+2 + 2 Cl- + CO3-2 + log_k -19.81 + delta_h -0 kcal Cerussite PbCO3 = Pb+2 + CO3-2 - log_k -13.13 - delta_h 4.86 kcal + log_k -13.13 + delta_h 4.86 kcal PbF2 - PbF2 = Pb+2 + 2F- - log_k -7.44 - delta_h -0.7 kcal + PbF2 = Pb+2 + 2 F- + log_k -7.44 + delta_h -0.7 kcal Massicot - PbO + 2H+ = Pb+2 + H2O - log_k 12.91 - delta_h -16.78 kcal + PbO + 2 H+ = Pb+2 + H2O + log_k 12.91 + delta_h -16.78 kcal Litharge - PbO + 2H+ = Pb+2 + H2O - log_k 12.72 - delta_h -16.38 kcal + PbO + 2 H+ = Pb+2 + H2O + log_k 12.72 + delta_h -16.38 kcal PbO:0.3H2O - PbO:0.33H2O + 2H+ = Pb+2 + 1.33H2O - log_k 12.98 - delta_h -0 kcal + PbO:0.33H2O + 2 H+ = Pb+2 + 1.33 H2O + log_k 12.98 + delta_h -0 kcal Pb2OCO3 - Pb2OCO3 + 2H+ = 2Pb+2 + H2O + CO3-2 - log_k -0.5 - delta_h -11.46 kcal + Pb2OCO3 + 2 H+ = 2 Pb+2 + H2O + CO3-2 + log_k -0.5 + delta_h -11.46 kcal Larnakite - PbO:PbSO4 + 2H+ = 2Pb+2 + SO4-2 + H2O - log_k -0.28 - delta_h -6.44 kcal + PbO:PbSO4 + 2 H+ = 2 Pb+2 + SO4-2 + H2O + log_k -0.28 + delta_h -6.44 kcal Pb3O2SO4 - Pb3O2SO4 + 4H+ = 3Pb+2 + SO4-2 + 2H2O - log_k 10.4 - delta_h -20.75 kcal + Pb3O2SO4 + 4 H+ = 3 Pb+2 + SO4-2 + 2 H2O + log_k 10.4 + delta_h -20.75 kcal Pb4O3SO4 - Pb4O3SO4 + 6H+ = 4Pb+2 + SO4-2 + 3H2O - log_k 22.1 - delta_h -35.07 kcal + Pb4O3SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 3 H2O + log_k 22.1 + delta_h -35.07 kcal ClPyromorphite - Pb5(PO4)3Cl = 5Pb+2 + 3PO4-3 + Cl- - log_k -84.43 - delta_h -0 kcal + Pb5(PO4)3Cl = 5 Pb+2 + 3 PO4-3 + Cl- + log_k -84.43 + delta_h -0 kcal Hxypyromorphite - Pb5(PO4)3OH + H+ = 5Pb+2 + 3PO4-3 + H2O - log_k -62.79 - delta_h -0 kcal + Pb5(PO4)3OH + H+ = 5 Pb+2 + 3 PO4-3 + H2O + log_k -62.79 + delta_h -0 kcal Pb3O2CO3 - Pb3O2CO3 + 4H+ = 3Pb+2 + CO3-2 + 2H2O - log_k 11.02 - delta_h -26.43 kcal + Pb3O2CO3 + 4 H+ = 3 Pb+2 + CO3-2 + 2 H2O + log_k 11.02 + delta_h -26.43 kcal Plumbogummite - PbAl3(PO4)2(OH)5:H2O + 5H+ = Pb+2 + 3Al+3 + 2PO4-3 + 6H2O - log_k -32.79 - delta_h -0 kcal + PbAl3(PO4)2(OH)5:H2O + 5 H+ = Pb+2 + 3 Al+3 + 2 PO4-3 + 6 H2O + log_k -32.79 + delta_h -0 kcal Hinsdalite - PbAl3PO4SO4(OH)6 + 6H+ = Pb+2 + 3Al+3 + PO4-3 + SO4-2 + 6H2O - log_k -2.5 - delta_h -0 kcal + PbAl3PO4SO4(OH)6 + 6 H+ = Pb+2 + 3 Al+3 + PO4-3 + SO4-2 + 6 H2O + log_k -2.5 + delta_h -0 kcal Tsumebite - Pb2CuPO4(OH)3:3H2O + 3H+ = 2Pb+2 + Cu+2 + PO4-3 + 6H2O - log_k -9.79 - delta_h -0 kcal + Pb2CuPO4(OH)3:3H2O + 3 H+ = 2 Pb+2 + Cu+2 + PO4-3 + 6 H2O + log_k -9.79 + delta_h -0 kcal PbSiO3 - PbSiO3 + H2O + 2H+ = Pb+2 + H4SiO4 - log_k 7.32 - delta_h -9.26 kcal + PbSiO3 + H2O + 2 H+ = Pb+2 + H4SiO4 + log_k 7.32 + delta_h -9.26 kcal Pb2SiO4 - Pb2SiO4 + 4H+ = 2Pb+2 + H4SiO4 - log_k 19.76 - delta_h -26 kcal + Pb2SiO4 + 4 H+ = 2 Pb+2 + H4SiO4 + log_k 19.76 + delta_h -26 kcal Anglesite PbSO4 = Pb+2 + SO4-2 - log_k -7.79 - delta_h 2.15 kcal + log_k -7.79 + delta_h 2.15 kcal Galena PbS + H+ = Pb+2 + HS- - log_k -15.132 - delta_h 19.4 kcal + log_k -15.132 + delta_h 19.4 kcal Plattnerite - PbO2 + 4H+ + 2e- = Pb+2 + 2H2O - log_k 49.3 - delta_h -70.73 kcal + PbO2 + 4 H+ + 2 e- = Pb+2 + 2 H2O + log_k 49.3 + delta_h -70.73 kcal Pb2O3 - Pb2O3 + 6H+ + 2e- = 2Pb+2 + 3H2O - log_k 61.04 - delta_h -0 kcal + Pb2O3 + 6 H+ + 2 e- = 2 Pb+2 + 3 H2O + log_k 61.04 + delta_h -0 kcal Minium - Pb3O4 + 8H+ + 2e- = 3Pb+2 + 4H2O - log_k 73.69 + Pb3O4 + 8 H+ + 2 e- = 3 Pb+2 + 4 H2O + log_k 73.69 delta_h -102.76 kcal Pb(OH)2(C) - Pb(OH)2 + 2H+ = Pb+2 + 2H2O - log_k 8.15 - delta_h -13.99 kcal + Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O + log_k 8.15 + delta_h -13.99 kcal Laurionite PbOHCl + H+ = Pb+2 + Cl- + H2O - log_k 0.623 - delta_h -0 kcal + log_k 0.623 + delta_h -0 kcal Pb2(OH)3Cl - Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl- - log_k 8.793 - delta_h -0 kcal + Pb2(OH)3Cl + 3 H+ = 2 Pb+2 + 3 H2O + Cl- + log_k 8.793 + delta_h -0 kcal Hydcerussite - Pb(OH)2:2PbCO3 + 2H+ = 3Pb+2 + 2CO3-2 + 2H2O - log_k -17.46 - delta_h -0 kcal + Pb(OH)2:2PbCO3 + 2 H+ = 3 Pb+2 + 2 CO3-2 + 2 H2O + log_k -17.46 + delta_h -0 kcal Pb2O(OH)2 - Pb2O(OH)2 + 4H+ = 2Pb+2 + 3H2O - log_k 26.2 - delta_h -0 kcal + Pb2O(OH)2 + 4 H+ = 2 Pb+2 + 3 H2O + log_k 26.2 + delta_h -0 kcal PbBr2 - PbBr2 = Pb+2 + 2Br- - log_k -5.18 - delta_h 8.1 kcal + PbBr2 = Pb+2 + 2 Br- + log_k -5.18 + delta_h 8.1 kcal PbBrF PbBrF = Pb+2 + Br- + F- - log_k -8.49 - delta_h -0 kcal + log_k -8.49 + delta_h -0 kcal PbI2 - PbI2 = Pb+2 + 2I- - log_k -8.07 - delta_h 15.16 kcal + PbI2 = Pb+2 + 2 I- + log_k -8.07 + delta_h 15.16 kcal Pb4(OH)6SO4 - Pb4(OH)6SO4 + 6H+ = 4Pb+2 + SO4-2 + 6H2O - log_k 21.1 - delta_h -0 kcal + Pb4(OH)6SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 6 H2O + log_k 21.1 + delta_h -0 kcal NiCO3 NiCO3 = Ni+2 + CO3-2 - log_k -6.84 - delta_h -9.94 kcal + log_k -6.84 + delta_h -9.94 kcal Ni(OH)2 - Ni(OH)2 + 2H+ = Ni+2 + 2H2O - log_k 10.8 - delta_h 30.45 kcal + Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O + log_k 10.8 + delta_h 30.45 kcal Ni4(OH)6SO4 - Ni4(OH)6SO4 + 6H+ = 4Ni+2 + SO4-2 + 6H2O - log_k 32 - delta_h -0 kcal + Ni4(OH)6SO4 + 6 H+ = 4 Ni+2 + SO4-2 + 6 H2O + log_k 32 + delta_h -0 kcal Bunsenite - NiO + 2H+ = Ni+2 + H2O - log_k 12.45 - delta_h -23.92 kcal + NiO + 2 H+ = Ni+2 + H2O + log_k 12.45 + delta_h -23.92 kcal Ni3(PO4)2 - Ni3(PO4)2 = 3Ni+2 + 2PO4-3 - log_k -31.3 - delta_h -0 kcal + Ni3(PO4)2 = 3 Ni+2 + 2 PO4-3 + log_k -31.3 + delta_h -0 kcal Millerite NiS + H+ = Ni+2 + HS- - log_k -8.042 - delta_h 2.5 kcal + log_k -8.042 + delta_h 2.5 kcal Retgersite - NiSO4:6H2O = Ni+2 + SO4-2 + 6H2O - log_k -2.04 - delta_h 1.1 kcal + NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O + log_k -2.04 + delta_h 1.1 kcal Morenosite - NiSO4:7H2O = Ni+2 + SO4-2 + 7H2O - log_k -2.36 - delta_h 2.94 kcal + NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O + log_k -2.36 + delta_h 2.94 kcal Ni2SiO4 - Ni2SiO4 + 4H+ = 2Ni+2 + H4SiO4 - log_k 14.54 - delta_h -33.36 kcal + Ni2SiO4 + 4 H+ = 2 Ni+2 + H4SiO4 + log_k 14.54 + delta_h -33.36 kcal AgMetal Ag = Ag+ + e- - log_k -13.51 - delta_h 25.234 kcal + log_k -13.51 + delta_h 25.234 kcal Bromyrite AgBr = Ag+ + Br- - log_k -12.27 - delta_h 20.17 kcal + log_k -12.27 + delta_h 20.17 kcal Cerargyrite AgCl = Ag+ + Cl- - log_k -9.75 - delta_h 15.652 kcal + log_k -9.75 + delta_h 15.652 kcal Ag2CO3 - Ag2CO3 = 2Ag+ + CO3-2 - log_k -11.07 - delta_h 9.53 kcal + Ag2CO3 = 2 Ag+ + CO3-2 + log_k -11.07 + delta_h 9.53 kcal AgF:4H2O - AgF:4H2O = Ag+ + F- + 4H2O - log_k 0.55 - delta_h 4.27 kcal + AgF:4H2O = Ag+ + F- + 4 H2O + log_k 0.55 + delta_h 4.27 kcal Iodyrite AgI = Ag+ + I- - log_k -16.07 - delta_h 26.82 kcal + log_k -16.07 + delta_h 26.82 kcal Ag2O - Ag2O + 2H+ = 2Ag+ + H2O - log_k 12.58 - delta_h -10.43 kcal + Ag2O + 2 H+ = 2 Ag+ + H2O + log_k 12.58 + delta_h -10.43 kcal Ag3PO4 - Ag3PO4 = 3Ag+ + PO4-3 - log_k -17.55 - delta_h -0 kcal + Ag3PO4 = 3 Ag+ + PO4-3 + log_k -17.55 + delta_h -0 kcal Acanthite - Ag2S + H+ = 2Ag+ + HS- - log_k -36.05 - delta_h 53.3 kcal + Ag2S + H+ = 2 Ag+ + HS- + log_k -36.05 + delta_h 53.3 kcal Ag2SO4 - Ag2SO4 = 2Ag+ + SO4-2 - log_k -4.92 - delta_h 4.25 kcal + Ag2SO4 = 2 Ag+ + SO4-2 + log_k -4.92 + delta_h 4.25 kcal Analcime - NaAlSi2O6:H2O + H2O + 4H+ = Na+ + Al+3 + 2H4SiO4 - log_k 6.719 - delta_h -22.84 kcal + NaAlSi2O6:H2O + H2O + 4 H+ = Na+ + Al+3 + 2 H4SiO4 + log_k 6.719 + delta_h -22.84 kcal Halloysite - Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O - log_k 8.994 - delta_h -39.73 kcal + Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O + log_k 8.994 + delta_h -39.73 kcal Kaolinite - Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O - log_k 5.726 - delta_h -35.28 kcal + Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O + log_k 5.726 + delta_h -35.28 kcal Leonhardite - Ca2Al4Si8O24:7H2O + H2O + 16H+ = 2Ca+2 + 8H4SiO4 + 4Al+3 - log_k 16.49 - delta_h -85.36 kcal + Ca2Al4Si8O24:7H2O + H2O + 16 H+ = 2 Ca+2 + 8 H4SiO4 + 4 Al+3 + log_k 16.49 + delta_h -85.36 kcal Albite(low) - NaAlSi3O8 + 4H+ + 4H2O = Na+ + Al+3 + 3H4SiO4 - log_k 2.592 - delta_h -17.4 kcal + NaAlSi3O8 + 4 H+ + 4 H2O = Na+ + Al+3 + 3 H4SiO4 + log_k 2.592 + delta_h -17.4 kcal Albite - NaAlSi3O8 + 4H+ + 4H2O = Na+ + Al+3 + 3H4SiO4 - log_k 3.506 - delta_h -20 kcal + NaAlSi3O8 + 4 H+ + 4 H2O = Na+ + Al+3 + 3 H4SiO4 + log_k 3.506 + delta_h -20 kcal Muscovite - KAl3Si3O10(OH)2 + 10H+ = K+ + 3Al+3 + 3H4SiO4 - log_k 12.99 - delta_h -59.34 kcal + KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4 + log_k 12.99 + delta_h -59.34 kcal Annite - KFe3AlSi3O10(OH)2 + 10H+ = K+ + 3Fe+2 + Al+3 + 3H4SiO4 - log_k 23.29 - delta_h -65.72 kcal + KFe3AlSi3O10(OH)2 + 10 H+ = K+ + 3 Fe+2 + Al+3 + 3 H4SiO4 + log_k 23.29 + delta_h -65.72 kcal Anorthite - CaAl2Si2O8 + 8H+ = Ca+2 + 2Al+3 + 2H4SiO4 - log_k 25.43 - delta_h -70.66 kcal + CaAl2Si2O8 + 8 H+ = Ca+2 + 2 Al+3 + 2 H4SiO4 + log_k 25.43 + delta_h -70.66 kcal Pyrophyllite - Al2Si4O10(OH)2 + 4H2O + 6H+ = 2Al+3 + 4H4SiO4 - log_k -1.598 - delta_h -0 kcal + Al2Si4O10(OH)2 + 4 H2O + 6 H+ = 2 Al+3 + 4 H4SiO4 + log_k -1.598 + delta_h -0 kcal Laumontite - CaAl2Si4O12:4H2O + 8H+ = Ca+2 + 2Al+3 + 4H4SiO4 - log_k 14.46 - delta_h -50.45 kcal + CaAl2Si4O12:4H2O + 8 H+ = Ca+2 + 2 Al+3 + 4 H4SiO4 + log_k 14.46 + delta_h -50.45 kcal Wairakite - CaAl2Si4O12:2H2O + 8H+ + 2H2O = Ca+2 + 2Al+3 + 4H4SiO4 - log_k 18.87 - delta_h -63.15 kcal + CaAl2Si4O12:2H2O + 8 H+ + 2 H2O = Ca+2 + 2 Al+3 + 4 H4SiO4 + log_k 18.87 + delta_h -63.15 kcal Malachite - Cu2(OH)2CO3 + 2H+ = 2Cu+2 + 2H2O + CO3-2 - log_k -5.18 - delta_h -15.61 kcal + Cu2(OH)2CO3 + 2 H+ = 2 Cu+2 + 2 H2O + CO3-2 + log_k -5.18 + delta_h -15.61 kcal Azurite - Cu3(OH)2(CO3)2 + 2H+ = 3Cu+2 + 2H2O + 2CO3-2 - log_k -16.92 - delta_h -23.77 kcal + Cu3(OH)2(CO3)2 + 2 H+ = 3 Cu+2 + 2 H2O + 2 CO3-2 + log_k -16.92 + delta_h -23.77 kcal Arsenolite - As4O6 + 6H2O = 4H3AsO3 - log_k -2.801 - delta_h 14.33 kcal + As4O6 + 6 H2O = 4 H3AsO3 + log_k -2.801 + delta_h 14.33 kcal Claudetite - As4O6 + 6H2O = 4H3AsO3 - log_k -3.065 - delta_h 13.29 kcal + As4O6 + 6 H2O = 4 H3AsO3 + log_k -3.065 + delta_h 13.29 kcal AsI3 - AsI3 + 3H2O = H3AsO3 + 3I- + 3H+ - log_k 4.155 - delta_h 1.875 kcal + AsI3 + 3 H2O = H3AsO3 + 3 I- + 3 H+ + log_k 4.155 + delta_h 1.875 kcal Oripment - As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+ - log_k -60.971 - delta_h 82.89 kcal + As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+ + log_k -60.971 + delta_h 82.89 kcal Realgar - AsS + 3H2O = H3AsO3 + HS- + 2H+ + e- - log_k -19.747 - delta_h 30.545 kcal + AsS + 3 H2O = H3AsO3 + HS- + 2 H+ + e- + log_k -19.747 + delta_h 30.545 kcal As2O5 - As2O5 + 3H2O = 2H3AsO4 - log_k 6.699 - delta_h -5.405 kcal + As2O5 + 3 H2O = 2 H3AsO4 + log_k 6.699 + delta_h -5.405 kcal Sb - Sb + 3H2O = Sb(OH)3 + 3H+ + 3e- - log_k -11.7058 - delta_h 20.045 kcal + Sb + 3 H2O = Sb(OH)3 + 3 H+ + 3 e- + log_k -11.7058 + delta_h 20.045 kcal Stibnite - Sb2S3 + 6H2O = 2Sb(OH)3 + 3HS- + 3H+ - log_k -60.156 - delta_h 69.29 kcal + Sb2S3 + 6 H2O = 2 Sb(OH)3 + 3 HS- + 3 H+ + log_k -60.156 + delta_h 69.29 kcal Sb2Se3 - Sb2Se3 + 6H2O = 2Sb(OH)3 + 3HSe- + 3H+ - log_k -67.7571 - delta_h 81.99 kcal + Sb2Se3 + 6 H2O = 2 Sb(OH)3 + 3 HSe- + 3 H+ + log_k -67.7571 + delta_h 81.99 kcal NiSb - NiSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Ni+2 - log_k -18.5225 - delta_h 22.945 kcal + NiSb + 3 H2O = Sb(OH)3 + 5 e- + 3 H+ + Ni+2 + log_k -18.5225 + delta_h 22.945 kcal ZnSb - ZnSb + 3H2O = Sb(OH)3 + 5e- + Zn+2 + 3H+ - log_k 11.0138 + ZnSb + 3 H2O = Sb(OH)3 + 5 e- + Zn+2 + 3 H+ + log_k 11.0138 delta_h -13.116 kcal AlSb - AlSb + 3H2O = Sb(OH)3 + 6e- + Al+3 + 3H+ - log_k 65.6241 - delta_h -0 kcal + AlSb + 3 H2O = Sb(OH)3 + 6 e- + Al+3 + 3 H+ + log_k 65.6241 + delta_h -0 kcal CdSb - CdSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Cd+2 - log_k -0.3943 - delta_h 5.345 kcal + CdSb + 3 H2O = Sb(OH)3 + 5 e- + 3 H+ + Cd+2 + log_k -0.3943 + delta_h 5.345 kcal Mg2Sb3 - Mg2Sb3 + 9H2O = 2Mg+2 + 3Sb(OH)3 + 9H+ + 13e- - log_k 74.6838 - delta_h -0 kcal + Mg2Sb3 + 9 H2O = 2 Mg+2 + 3 Sb(OH)3 + 9 H+ + 13 e- + log_k 74.6838 + delta_h -0 kcal Ag3Sb - Ag3Sb + 3H2O = Sb(OH)3 + 6e- + 3Ag+ + 3H+ - log_k -56.1818 - delta_h -0 kcal + Ag3Sb + 3 H2O = Sb(OH)3 + 6 e- + 3 Ag+ + 3 H+ + log_k -56.1818 + delta_h -0 kcal Na3Sb - Na3Sb + 3H2O = 3Na+ + Sb(OH)3 + 3H+ + 6e- - log_k 94.4084 - delta_h -103.245 kcal + Na3Sb + 3 H2O = 3 Na+ + Sb(OH)3 + 3 H+ + 6 e- + log_k 94.4084 + delta_h -103.245 kcal NaSb - NaSb + 3H2O = Na+ + Sb(OH)3 + 3H+ + 4e- - log_k 23.177 + NaSb + 3 H2O = Na+ + Sb(OH)3 + 3 H+ + 4 e- + log_k 23.177 delta_h -22.385 kcal Mn2Sb - Mn2Sb + 3H2O = 2Mn+2 + Sb(OH)3 + 7e- + 3H+ - log_k 61.0796 - delta_h -0 kcal + Mn2Sb + 3 H2O = 2 Mn+2 + Sb(OH)3 + 7 e- + 3 H+ + log_k 61.0796 + delta_h -0 kcal Ca3Sb2 - Ca3Sb2 + 6H2O = 3Ca+2 + 2Sb(OH)3 + 6H+ + 12e- - log_k 142.974 + Ca3Sb2 + 6 H2O = 3 Ca+2 + 2 Sb(OH)3 + 6 H+ + 12 e- + log_k 142.974 delta_h -175.13 kcal USb2 - USb2 + 8H2O = UO2+2 + 2Sb(OH)3 + 12e- + 10H+ - log_k 29.5246 - delta_h -24.68 kcal + USb2 + 8 H2O = UO2+2 + 2 Sb(OH)3 + 12 e- + 10 H+ + log_k 29.5246 + delta_h -24.68 kcal Cu2Sb - Cu2Sb + 3H2O = Sb(OH)3 + 6e- + 3H+ + Cu+ + Cu+2 - log_k -34.8827 - delta_h 55.745 kcal + Cu2Sb + 3 H2O = Sb(OH)3 + 6 e- + 3 H+ + Cu+ + Cu+2 + log_k -34.8827 + delta_h 55.745 kcal MnSb - MnSb + 3H2O = Mn+3 + Sb(OH)3 + 6e- + 3H+ - log_k -2.9099 - delta_h 5.045 kcal + MnSb + 3 H2O = Mn+3 + Sb(OH)3 + 6 e- + 3 H+ + log_k -2.9099 + delta_h 5.045 kcal Cu3Sb - Cu3Sb + 3H2O = Sb(OH)3 + 6e- + 3H+ + 3Cu+ - log_k -42.5937 - delta_h 73.645 kcal + Cu3Sb + 3 H2O = Sb(OH)3 + 6 e- + 3 H+ + 3 Cu+ + log_k -42.5937 + delta_h 73.645 kcal U3Sb4 - U3Sb4 + 12H2O = 3U+4 + 4Sb(OH)3 + 24e- + 12H+ - log_k 152.329 + U3Sb4 + 12 H2O = 3 U+4 + 4 Sb(OH)3 + 24 e- + 12 H+ + log_k 152.329 delta_h -235.72 kcal Sb2O4 - Sb2O4 + 2H2O + 2H+ + 2e- = 2Sb(OH)3 - log_k 3.4597 - delta_h -16.27 kcal + Sb2O4 + 2 H2O + 2 H+ + 2 e- = 2 Sb(OH)3 + log_k 3.4597 + delta_h -16.27 kcal Sb4O6II - Sb4O6 + 6H2O = 4Sb(OH)3 - log_k -19.6586 - delta_h 14.6 kcal + Sb4O6 + 6 H2O = 4 Sb(OH)3 + log_k -19.6586 + delta_h 14.6 kcal Sb4O6I - Sb4O6 + 6H2O = 4Sb(OH)3 - log_k -17.0346 - delta_h 8.99 kcal + Sb4O6 + 6 H2O = 4 Sb(OH)3 + log_k -17.0346 + delta_h 8.99 kcal Sb(OH)3(s) Sb(OH)3 = Sb(OH)3 - log_k -7.1099 - delta_h 7.2 kcal + log_k -7.1099 + delta_h 7.2 kcal Cu(SbO3)2 - Cu(SbO3)2 + 6H+ + 4e- = 2Sb(OH)3 + Cu+2 - log_k 45.2105 - delta_h -0 kcal + Cu(SbO3)2 + 6 H+ + 4 e- = 2 Sb(OH)3 + Cu+2 + log_k 45.2105 + delta_h -0 kcal Sb2O3 - Sb2O3 + 3H2O = 2Sb(OH)3 - log_k -12.3654 - delta_h 7.325 kcal + Sb2O3 + 3 H2O = 2 Sb(OH)3 + log_k -12.3654 + delta_h 7.325 kcal Sb2O3 - Sb2O3 + 3H2O = 2Sb(OH)3 - log_k -8.4806 - delta_h 4.545 kcal + Sb2O3 + 3 H2O = 2 Sb(OH)3 + log_k -8.4806 + delta_h 4.545 kcal Sb2O5 - Sb2O5 + 7H2O = 2Sb(OH)6- + 2H+ - log_k -12.4827 - delta_h -0 kcal + Sb2O5 + 7 H2O = 2 Sb(OH)6- + 2 H+ + log_k -12.4827 + delta_h -0 kcal SbO2 - SbO2 + 4H2O = Sb(OH)6- + e- + 2H+ - log_k -27.8241 - delta_h -0 kcal + SbO2 + 4 H2O = Sb(OH)6- + e- + 2 H+ + log_k -27.8241 + delta_h -0 kcal SbBr3 - SbBr3 + 3H2O = Sb(OH)3 + 3Br- + 3H+ - log_k 1.0562 - delta_h -5.072 kcal + SbBr3 + 3 H2O = Sb(OH)3 + 3 Br- + 3 H+ + log_k 1.0562 + delta_h -5.072 kcal SbCl3 - SbCl3 + 3H2O = Sb(OH)3 + 3Cl- + 3H+ - log_k 0.5915 - delta_h -8.414 kcal + SbCl3 + 3 H2O = Sb(OH)3 + 3 Cl- + 3 H+ + log_k 0.5915 + delta_h -8.414 kcal SbF3 - SbF3 + 3H2O = Sb(OH)3 + 3H+ + 3F- - log_k -10.2251 - delta_h -1.608 kcal + SbF3 + 3 H2O = Sb(OH)3 + 3 H+ + 3 F- + log_k -10.2251 + delta_h -1.608 kcal SbI3 - SbI3 + 3H2O = Sb(OH)3 + 3H+ + 3I- - log_k -0.538 - delta_h 3.248 kcal + SbI3 + 3 H2O = Sb(OH)3 + 3 H+ + 3 I- + log_k -0.538 + delta_h 3.248 kcal Zn(BO2)2 - Zn(BO2)2 + 2H2O + 2H+ = Zn+2 + 2H3BO3 - log_k 8.29 - delta_h -0 kcal + Zn(BO2)2 + 2 H2O + 2 H+ = Zn+2 + 2 H3BO3 + log_k 8.29 + delta_h -0 kcal Cd(BO2)2 - Cd(BO2)2 + 2H2O + 2H+ = Cd+2 + 2H3BO3 - log_k 9.84 - delta_h -0 kcal + Cd(BO2)2 + 2 H2O + 2 H+ = Cd+2 + 2 H3BO3 + log_k 9.84 + delta_h -0 kcal Pb(BO2)2 - Pb(BO2)2 + 2H2O + 2H+ = Pb+2 + 2H3BO3 - log_k 7.61 - delta_h -5.8 kcal + Pb(BO2)2 + 2 H2O + 2 H+ = Pb+2 + 2 H3BO3 + log_k 7.61 + delta_h -5.8 kcal MnHPO4(C) MnHPO4 = Mn+2 + PO4-3 + H+ - log_k -25.4 - delta_h -0 kcal + log_k -25.4 + delta_h -0 kcal PbHPO4 PbHPO4 = Pb+2 + PO4-3 + H+ - log_k -23.9 - delta_h -0 kcal + log_k -23.9 + delta_h -0 kcal Pb3(PO4)2 - Pb3(PO4)2 = 3Pb+2 + 2PO4-3 - log_k -44.5 - delta_h -0 kcal + Pb3(PO4)2 = 3 Pb+2 + 2 PO4-3 + log_k -44.5 + delta_h -0 kcal Sulfur - S + H+ + 2e- = HS- - log_k -2.11 - delta_h -4.2 kcal + S + H+ + 2 e- = HS- + log_k -2.11 + delta_h -4.2 kcal AlAsO4:2H2O - AlAsO4:2H2O + 3H+ = Al+3 + H3AsO4 + 2H2O - log_k 4.8 - delta_h -0 kcal + AlAsO4:2H2O + 3 H+ = Al+3 + H3AsO4 + 2 H2O + log_k 4.8 + delta_h -0 kcal Ca3(AsO4)2:6H2O - Ca3(AsO4)2:6H2O + 6H+ = 3Ca+2 + 2H3AsO4 + 6H2O - log_k 22.3 - delta_h -0 kcal + Ca3(AsO4)2:6H2O + 6 H+ = 3 Ca+2 + 2 H3AsO4 + 6 H2O + log_k 22.3 + delta_h -0 kcal Cu3(AsO4)2:6H2O - Cu3(AsO4)2:6H2O + 6H+ = 3Cu+2 + 2H3AsO4 + 6H2O - log_k 6.1 - delta_h -0 kcal + Cu3(AsO4)2:6H2O + 6 H+ = 3 Cu+2 + 2 H3AsO4 + 6 H2O + log_k 6.1 + delta_h -0 kcal FeAsO4:2H2O - FeAsO4:2H2O + 3H+ = Fe+3 + H3AsO4 + 2H2O - log_k 0.4 - delta_h -0 kcal + FeAsO4:2H2O + 3 H+ = Fe+3 + H3AsO4 + 2 H2O + log_k 0.4 + delta_h -0 kcal Mn3(AsO4)2:8H2O - Mn3(AsO4)2:8H2O + 6H+ = 3Mn+2 + 2H3AsO4 + 8H2O - log_k 12.5 - delta_h -0 kcal + Mn3(AsO4)2:8H2O + 6 H+ = 3 Mn+2 + 2 H3AsO4 + 8 H2O + log_k 12.5 + delta_h -0 kcal Ni3(AsO4)2:8H2O - Ni3(AsO4)2:8H2O + 6H+ = 3Ni+2 + 2H3AsO4 + 8H2O - log_k 15.7 - delta_h -0 kcal + Ni3(AsO4)2:8H2O + 6 H+ = 3 Ni+2 + 2 H3AsO4 + 8 H2O + log_k 15.7 + delta_h -0 kcal Pb3(AsO4)2 - Pb3(AsO4)2 + 6H+ = 3Pb+2 + 2H3AsO4 - log_k 5.8 - delta_h -0 kcal + Pb3(AsO4)2 + 6 H+ = 3 Pb+2 + 2 H3AsO4 + log_k 5.8 + delta_h -0 kcal Zn3(AsO4)2:2.5H2O - Zn3(AsO4)2:2.5H2O + 6H+ = 3Zn+2 + 2H3AsO4 + 2.5H2O - log_k 13.65 - delta_h -0 kcal + Zn3(AsO4)2:2.5H2O + 6 H+ = 3 Zn+2 + 2 H3AsO4 + 2.5 H2O + log_k 13.65 + delta_h -0 kcal Ba3(AsO4)2 - Ba3(AsO4)2 + 6H+ = 3Ba+2 + 2H3AsO4 - log_k -8.91 - delta_h 2.64 kcal + Ba3(AsO4)2 + 6 H+ = 3 Ba+2 + 2 H3AsO4 + log_k -8.91 + delta_h 2.64 kcal VMetal - V = V+3 + 3e- - log_k 42.35 - delta_h -62.9 kcal + V = V+3 + 3 e- + log_k 42.35 + delta_h -62.9 kcal VO - VO + 2H+ = V+3 + H2O + e- - log_k 13.08 - delta_h -28.02 kcal + VO + 2 H+ = V+3 + H2O + e- + log_k 13.08 + delta_h -28.02 kcal VCl2 - VCl2 = V+3 + 2Cl- + e- - log_k 17.97 - delta_h -35.8 kcal + VCl2 = V+3 + 2 Cl- + e- + log_k 17.97 + delta_h -35.8 kcal V2O3 - VO1.5 + 3H+ = V+3 + 1.5H2O - log_k 4.9 - delta_h -19.72 kcal + VO1.5 + 3 H+ = V+3 + 1.5 H2O + log_k 4.9 + delta_h -19.72 kcal V(OH)3 - V(OH)3 + 3H+ = V+3 + 3H2O - log_k 7.65 - delta_h -0 kcal + V(OH)3 + 3 H+ = V+3 + 3 H2O + log_k 7.65 + delta_h -0 kcal VCl3 - VCl3 = V+3 + 3Cl- - log_k 21.73 - delta_h -43.96 kcal + VCl3 = V+3 + 3 Cl- + log_k 21.73 + delta_h -43.96 kcal VOCl - VOCl + 2H+ = V+3 + Cl- + H2O - log_k 9.41 - delta_h -26.17 kcal + VOCl + 2 H+ = V+3 + Cl- + H2O + log_k 9.41 + delta_h -26.17 kcal V2O4 - VO2 + 2H+ = VO+2 + H2O - log_k 4.27 - delta_h -14.07 kcal + VO2 + 2 H+ = VO+2 + H2O + log_k 4.27 + delta_h -14.07 kcal VO(OH)2 - VO(OH)2 + 2H+ = VO+2 + 2H2O - log_k 5.85 - delta_h -0 kcal + VO(OH)2 + 2 H+ = VO+2 + 2 H2O + log_k 5.85 + delta_h -0 kcal VF4 - VF4 + H2O = VO+2 + 4F- + 2H+ - log_k 14.93 - delta_h -47.59 kcal + VF4 + H2O = VO+2 + 4 F- + 2 H+ + log_k 14.93 + delta_h -47.59 kcal VOSO4(C) VOSO4 = VO+2 + SO4-2 - log_k 3.57 - delta_h -20.72 kcal + log_k 3.57 + delta_h -20.72 kcal # equation does not balance #(VO)3(PO4)2 # (VO)3(PO4)2 = VO+2 + 0.667PO4-3 # log_k -8.37 # delta_h -0 kcal VOCl2 - VOCl2 = VO+2 + 2Cl- - log_k 12.79 - delta_h -28.2 kcal + VOCl2 = VO+2 + 2 Cl- + log_k 12.79 + delta_h -28.2 kcal V2O5 - VO2.5 + H+ = VO2+ + 0.5H2O - log_k -0.72 - delta_h -4.16 kcal + VO2.5 + H+ = VO2+ + 0.5 H2O + log_k -0.72 + delta_h -4.16 kcal Tyuyamunite - Ca0.5UO2VO4 + 4H+ = 0.5Ca+2 + UO2+2 + VO2+ + 2H2O - log_k 2.04 - delta_h -18.3 kcal + Ca0.5UO2VO4 + 4 H+ = 0.5 Ca+2 + UO2+2 + VO2+ + 2 H2O + log_k 2.04 + delta_h -18.3 kcal Ca_Vanadate - Ca0.5VO3 + 2H+ = 0.5Ca+2 + VO2+ + H2O - log_k 2.83 - delta_h -10.13 kcal + Ca0.5VO3 + 2 H+ = 0.5 Ca+2 + VO2+ + H2O + log_k 2.83 + delta_h -10.13 kcal Ca3(VO4)2 - Ca1.5VO4 + 4H+ = 1.5Ca+2 + VO2+ + 2H2O - log_k 19.48 - delta_h -35.07 kcal + Ca1.5VO4 + 4 H+ = 1.5 Ca+2 + VO2+ + 2 H2O + log_k 19.48 + delta_h -35.07 kcal Ca2V2O7 - CaVO3.5 + 3H+ = Ca+2 + VO2+ + 1.5H2O - log_k 8.75 - delta_h -19.06 kcal + CaVO3.5 + 3 H+ = Ca+2 + VO2+ + 1.5 H2O + log_k 8.75 + delta_h -19.06 kcal Fe_Vanadate - Fe0.5VO3 + 2H+ = 0.5Fe+2 + VO2+ + H2O - log_k -1.86 - delta_h -7.37 kcal + Fe0.5VO3 + 2 H+ = 0.5 Fe+2 + VO2+ + H2O + log_k -1.86 + delta_h -7.37 kcal Mg_Vanadate - Mg0.5VO3 + 2H+ = 0.5Mg+2 + VO2+ + H2O - log_k 5.64 - delta_h -16.33 kcal + Mg0.5VO3 + 2 H+ = 0.5 Mg+2 + VO2+ + H2O + log_k 5.64 + delta_h -16.33 kcal Mg2V2O7 - MgVO3.5 + 3H+ = Mg+2 + VO2+ + 1.5H2O - log_k 13.18 - delta_h -30.5 kcal + MgVO3.5 + 3 H+ = Mg+2 + VO2+ + 1.5 H2O + log_k 13.18 + delta_h -30.5 kcal Mn_Vanadate - Mn0.5VO3 + 2H+ = 0.5Mn+2 + VO2+ + H2O - log_k 2.45 - delta_h -11.05 kcal + Mn0.5VO3 + 2 H+ = 0.5 Mn+2 + VO2+ + H2O + log_k 2.45 + delta_h -11.05 kcal NH4VO3 - NH4VO3 + 2H+ = NH4+ + VO2+ + H2O - log_k 2.69 - delta_h -3.77 kcal + NH4VO3 + 2 H+ = NH4+ + VO2+ + H2O + log_k 2.69 + delta_h -3.77 kcal Na_Vanadate - NaVO3 + 2H+ = Na+ + VO2+ + H2O - log_k 3.71 - delta_h -7.01 kcal + NaVO3 + 2 H+ = Na+ + VO2+ + H2O + log_k 3.71 + delta_h -7.01 kcal Na3VO4 - Na3VO4 + 4H+ = 3Na+ + VO2+ + 2H2O - log_k 36.94 - delta_h -44.42 kcal + Na3VO4 + 4 H+ = 3 Na+ + VO2+ + 2 H2O + log_k 36.94 + delta_h -44.42 kcal Na4V2O7 - Na2VO3.5 + 3H+ = 2Na+ + VO2+ + 1.5H2O - log_k 18.7 - delta_h -24.03 kcal + Na2VO3.5 + 3 H+ = 2 Na+ + VO2+ + 1.5 H2O + log_k 18.7 + delta_h -24.03 kcal Pb3(VO4)2 - Pb1.5VO4 + 4H+ = 1.5Pb+2 + VO2+ + 2H2O - log_k 3.07 - delta_h -8.68 kcal + Pb1.5VO4 + 4 H+ = 1.5 Pb+2 + VO2+ + 2 H2O + log_k 3.07 + delta_h -8.68 kcal Pb2V2O7 - PbVO3.5 + 3H+ = Pb+2 + VO2+ + 1.5H2O - log_k -0.95 - delta_h -3.22 kcal + PbVO3.5 + 3 H+ = Pb+2 + VO2+ + 1.5 H2O + log_k -0.95 + delta_h -3.22 kcal Carnotite - KUO2VO4 + 4H+ = K+ + UO2+2 + VO2+ + 2H2O - log_k 0.23 - delta_h -8.7 kcal + KUO2VO4 + 4 H+ = K+ + UO2+2 + VO2+ + 2 H2O + log_k 0.23 + delta_h -8.7 kcal Ag_Vanadate - AgVO3 + 2H+ = Ag+ + VO2+ + H2O - log_k 0.77 - delta_h -0 kcal + AgVO3 + 2 H+ = Ag+ + VO2+ + H2O + log_k 0.77 + delta_h -0 kcal Ag2HVO4 - Ag2HVO4 + 3H+ = 2Ag+ + VO2+ + 2H2O - log_k 1.48 - delta_h -0 kcal + Ag2HVO4 + 3 H+ = 2 Ag+ + VO2+ + 2 H2O + log_k 1.48 + delta_h -0 kcal Ag3H2VO5 - Ag3H2VO5 + 4H+ = 3Ag+ + VO2+ + 3H2O - log_k 5.18 - delta_h -0 kcal + Ag3H2VO5 + 4 H+ = 3 Ag+ + VO2+ + 3 H2O + log_k 5.18 + delta_h -0 kcal VO2Cl VO2Cl = VO2+ + Cl- - log_k 2.81 - delta_h -9.65 kcal + log_k 2.81 + delta_h -9.65 kcal V3O5 - V3O5 + 4H+ = 3VO+2 + 2H2O + 2e- - log_k 1.87 - delta_h -23.53 kcal + V3O5 + 4 H+ = 3 VO+2 + 2 H2O + 2 e- + log_k 1.87 + delta_h -23.53 kcal V4O7 - V4O7 + 6H+ = 4VO+2 + 3H2O + 2e- - log_k 7.14 - delta_h -39.15 kcal + V4O7 + 6 H+ = 4 VO+2 + 3 H2O + 2 e- + log_k 7.14 + delta_h -39.15 kcal V6O13 - V6O13 + 2H+ = 6VO2+ + H2O + 4e- - log_k -60.86 - delta_h 64.89 kcal + V6O13 + 2 H+ = 6 VO2+ + H2O + 4 e- + log_k -60.86 + delta_h 64.89 kcal Lime - CaO + 2H+ = Ca+2 + H2O - log_k 32.797 + CaO + 2 H+ = Ca+2 + H2O + log_k 32.797 delta_h -46.265 kcal Portlandite - Ca(OH)2 + 2H+ = Ca+2 + 2H2O - log_k 22.675 - delta_h -30.69 kcal + Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O + log_k 22.675 + delta_h -30.69 kcal # not balanced #Wustite @@ -4859,213 +4863,213 @@ Portlandite # log_k 11.687 # delta_h -24.846 kcal Periclase - MgO + 2H+ = Mg+2 + H2O - log_k 21.51 + MgO + 2 H+ = Mg+2 + H2O + log_k 21.51 delta_h -36.135 kcal Hercynite - FeAl2O4 + 8H+ = Fe+2 + 2Al+3 + 4H2O - log_k 27.162 - delta_h -78.36 kcal + FeAl2O4 + 8 H+ = Fe+2 + 2 Al+3 + 4 H2O + log_k 27.162 + delta_h -78.36 kcal Spinel - MgAl2O4 + 8H+ = Mg+2 + 2Al+3 + 4H2O - log_k 36.333 + MgAl2O4 + 8 H+ = Mg+2 + 2 Al+3 + 4 H2O + log_k 36.333 delta_h -89.089 kcal Mg-Ferrite - MgFe2O4 + 8H+ = Mg+2 + 2Fe+3 + 4H2O - log_k 16.765 + MgFe2O4 + 8 H+ = Mg+2 + 2 Fe+3 + 4 H2O + log_k 16.765 delta_h -66.639 kcal Cryolite - Na3AlF6 = Al+3 + 3Na+ + 6F- - log_k -31.49 - delta_h 10.904 kcal + Na3AlF6 = Al+3 + 3 Na+ + 6 F- + log_k -31.49 + delta_h 10.904 kcal Wollastonite - CaSiO3 + H2O + 2H+ = H4SiO4 + Ca+2 - log_k 12.996 + CaSiO3 + H2O + 2 H+ = H4SiO4 + Ca+2 + log_k 12.996 delta_h -19.498 kcal P-Wollstanite - CaSiO3 + H2O + 2H+ = H4SiO4 + Ca+2 - log_k 13.846 + CaSiO3 + H2O + 2 H+ = H4SiO4 + Ca+2 + log_k 13.846 delta_h -21.068 kcal Ca-Olivine - Ca2SiO4 + 4H+ = H4SiO4 + 2Ca+2 - log_k 37.649 + Ca2SiO4 + 4 H+ = H4SiO4 + 2 Ca+2 + log_k 37.649 delta_h -54.695 kcal Larnite - Ca2SiO4 + 4H+ = H4SiO4 + 2Ca+2 - log_k 39.141 + Ca2SiO4 + 4 H+ = H4SiO4 + 2 Ca+2 + log_k 39.141 delta_h -57.238 kcal Ca3SiO5 - Ca3SiO5 + 6H+ = H4SiO4 + 3Ca+2 + H2O - log_k 73.867 - delta_h -106.335 kcal + Ca3SiO5 + 6 H+ = H4SiO4 + 3 Ca+2 + H2O + log_k 73.867 + delta_h -106.335 kcal Monticellite - CaMgSiO4 + 4H+ = H4SiO4 + Ca+2 + Mg+2 - log_k 30.272 + CaMgSiO4 + 4 H+ = H4SiO4 + Ca+2 + Mg+2 + log_k 30.272 delta_h -49.421 kcal Akerminite - Ca2MgSi2O7 + H2O + 6H+ = 2H4SiO4 + 2Ca+2 + Mg+2 - log_k 47.472 + Ca2MgSi2O7 + H2O + 6 H+ = 2 H4SiO4 + 2 Ca+2 + Mg+2 + log_k 47.472 delta_h -76.445 kcal Merwinite - Ca3MgSi2O8 + 8H+ = 2H4SiO4 + Mg+2 + 3Ca+2 - log_k 68.543 - delta_h -107.111 kcal + Ca3MgSi2O8 + 8 H+ = 2 H4SiO4 + Mg+2 + 3 Ca+2 + log_k 68.543 + delta_h -107.111 kcal Kalsilite - KAlSiO4 + 4H+ = H4SiO4 + Al+3 + K+ - log_k 12.838 + KAlSiO4 + 4 H+ = H4SiO4 + Al+3 + K+ + log_k 12.838 delta_h -28.919 kcal Leucite - KAlSi2O6 + 2H2O + 4H+ = 2H4SiO4 + Al+3 + K+ - log_k 6.423 + KAlSi2O6 + 2 H2O + 4 H+ = 2 H4SiO4 + Al+3 + K+ + log_k 6.423 delta_h -22.085 kcal Microcline - KAlSi3O8 + 4H2O + 4H+ = 3H4SiO4 + Al+3 + K+ - log_k 0.616 + KAlSi3O8 + 4 H2O + 4 H+ = 3 H4SiO4 + Al+3 + K+ + log_k 0.616 delta_h -12.309 kcal Sanidine(H) - KAlSi3O8 + 4H2O + 4H+ = 3H4SiO4 + Al+3 + K+ - log_k 1.062 + KAlSi3O8 + 4 H2O + 4 H+ = 3 H4SiO4 + Al+3 + K+ + log_k 1.062 delta_h -14.252 kcal Nepheline - NaAlSiO4 + 4H+ = H4SiO4 + Al+3 + Na+ - log_k 14.218 + NaAlSiO4 + 4 H+ = H4SiO4 + Al+3 + Na+ + log_k 14.218 delta_h -33.204 kcal Gehlenite - Ca2Al2SiO7 + 10H+ = 2Al+3 + H4SiO4 + 2Ca+2 + 3H2O - log_k 56.822 - delta_h -116.125 kcal + Ca2Al2SiO7 + 10 H+ = 2 Al+3 + H4SiO4 + 2 Ca+2 + 3 H2O + log_k 56.822 + delta_h -116.125 kcal Lepidocrocite - FeOOH + 3H+ = Fe+3 + 2H2O - log_k 1.371 - delta_h -0 kcal + FeOOH + 3 H+ = Fe+3 + 2 H2O + log_k 1.371 + delta_h -0 kcal Na-Nontronite - Fe2Al.33Si3.67O10(OH)2Na0.33 + 7.32H+ + 2.68H2O = 0.33Al+3 + 2Fe+3 + 0.33Na+ + 3.67H4SiO4 - log_k -14.504 - delta_h -0 kcal + Fe2Al.33Si3.67O10(OH)2Na0.33 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 2 Fe+3 + 0.33 Na+ + 3.67 H4SiO4 + log_k -14.504 + delta_h -0 kcal K-Nontronite - Fe2Al.33Si3.67O10(OH)2K0.33 + 7.32H+ + 2.68H2O = 0.33Al+3 + 2Fe+3 + 0.33K+ + 3.67H4SiO4 - log_k -15.549 - delta_h -0 kcal + Fe2Al.33Si3.67O10(OH)2K0.33 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 2 Fe+3 + 0.33 K+ + 3.67 H4SiO4 + log_k -15.549 + delta_h -0 kcal Ca-Nontronite - Fe2Al.33Si3.67O10(OH)2Ca0.165 + 7.32H+ + 2.68H2O = 0.33Al+3 + 2Fe+3 + 0.165Ca+2 + 3.67H4SiO4 - log_k -20.889 - delta_h -0 kcal + Fe2Al.33Si3.67O10(OH)2Ca0.165 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 2 Fe+3 + 0.165 Ca+2 + 3.67 H4SiO4 + log_k -20.889 + delta_h -0 kcal Mg-Nontronite - Fe2Al.33Si3.67O10(OH)2Mg0.165 + 7.32H+ + 2.68H2O = 0.33Al+3 + 2Fe+3 + 0.165Mg+2 + 3.67H4SiO4 - log_k -20.589 - delta_h -0 kcal + Fe2Al.33Si3.67O10(OH)2Mg0.165 + 7.32 H+ + 2.68 H2O = 0.33 Al+3 + 2 Fe+3 + 0.165 Mg+2 + 3.67 H4SiO4 + log_k -20.589 + delta_h -0 kcal Montmorillonite - Mg0.485Fe.22Al1.71Si3.81O10(OH)2 + 6.76H+ + 3.24H2O = 3.81H4SiO4 + 0.485Mg+2 + 0.22Fe+3 + 1.71Al+3 - log_k 2.67 - delta_h -0 kcal + Mg0.485Fe.22Al1.71Si3.81O10(OH)2 + 6.76 H+ + 3.24 H2O = 3.81 H4SiO4 + 0.485 Mg+2 + 0.22 Fe+3 + 1.71 Al+3 + log_k 2.67 + delta_h -0 kcal TlMetal Tl = Tl+ + e- - log_k 5.6733 - delta_h 1.28 kcal + log_k 5.6733 + delta_h 1.28 kcal Tl2O - Tl2O + 2H+ = 2Tl+ + H2O - log_k 27.0984 + Tl2O + 2 H+ = 2 Tl+ + H2O + log_k 27.0984 delta_h -23.055 kcal TlOH TlOH + H+ = Tl+ + H2O - log_k 12.9225 - delta_h -9.935 kcal + log_k 12.9225 + delta_h -9.935 kcal TlCl TlCl = Tl+ + Cl- - log_k -3.7243 - delta_h 10.137 kcal + log_k -3.7243 + delta_h 10.137 kcal TlBr TlBr = Tl+ + Br- - log_k -5.419 - delta_h 13.641 kcal + log_k -5.419 + delta_h 13.641 kcal TlI TlI = Tl+ + I- - log_k -7.1964 - delta_h 17.281 kcal + log_k -7.1964 + delta_h 17.281 kcal Tl2S - Tl2S + H+ = 2Tl+ + HS- - log_k -7.1832 - delta_h 21.56 kcal + Tl2S + H+ = 2 Tl+ + HS- + log_k -7.1832 + delta_h 21.56 kcal Tl2SO4 - Tl2SO4 = 2Tl+ + SO4-2 - log_k -3.6942 - delta_h 7.94 kcal + Tl2SO4 = 2 Tl+ + SO4-2 + log_k -3.6942 + delta_h 7.94 kcal Tl2Se - Tl2Se + H+ = 2Tl+ + HSe- - log_k -6.6848 - delta_h 20.36 kcal + Tl2Se + H+ = 2 Tl+ + HSe- + log_k -6.6848 + delta_h 20.36 kcal Tl2SeO4 - Tl2SeO4 = 2Tl+ + SeO4-2 - log_k -4.0168 - delta_h 9.76 kcal + Tl2SeO4 = 2 Tl+ + SeO4-2 + log_k -4.0168 + delta_h 9.76 kcal TlNO3 TlNO3 = Tl+ + NO3- - log_k -1.5319 - delta_h 10.02 kcal + log_k -1.5319 + delta_h 10.02 kcal Tl2CO3 - Tl2CO3 = 2Tl+ + CO3-2 - log_k -3.8482 - delta_h 8.02 kcal + Tl2CO3 = 2 Tl+ + CO3-2 + log_k -3.8482 + delta_h 8.02 kcal Tl(OH)3 Tl(OH)3 = Tl(OH)3 - log_k -6.4503 - delta_h -0 kcal + log_k -6.4503 + delta_h -0 kcal Avicennite - Tl2O3 + 3H2O = 2Tl(OH)3 - log_k -16.3236 - delta_h -0 kcal + Tl2O3 + 3 H2O = 2 Tl(OH)3 + log_k -16.3236 + delta_h -0 kcal Se(hex) - Se + H+ + 2e- = HSe- - log_k -7.6963 - delta_h 3.8 kcal + Se + H+ + 2 e- = HSe- + log_k -7.6963 + delta_h 3.8 kcal Se(A) - Se + H+ + 2e- = HSe- - log_k -7.1099 - delta_h 2.6 kcal + Se + H+ + 2 e- = HSe- + log_k -7.1099 + delta_h 2.6 kcal Ferroselite - FeSe2 + 2H+ + 2e- = 2HSe- + Fe+2 - log_k -18.5959 - delta_h 11.3 kcal + FeSe2 + 2 H+ + 2 e- = 2 HSe- + Fe+2 + log_k -18.5959 + delta_h 11.3 kcal Clausthalite PbSe + H+ = HSe- + Pb+2 - log_k -21.2162 - delta_h 28 kcal + log_k -21.2162 + delta_h 28 kcal Ag2Se - Ag2Se + H+ = HSe- + 2Ag+ - log_k -43.6448 - delta_h 64.95 kcal + Ag2Se + H+ = HSe- + 2 Ag+ + log_k -43.6448 + delta_h 64.95 kcal CdSe CdSe + H+ = HSe- + Cd+2 - log_k -18.0739 - delta_h 18.16 kcal + log_k -18.0739 + delta_h 18.16 kcal CuSe CuSe + H+ = HSe- + Cu+2 - log_k -26.5121 - delta_h 28.95 kcal + log_k -26.5121 + delta_h 28.95 kcal Cu2Se(alpha) - Cu2Se + H+ = HSe- + 2Cu+ - log_k -36.0922 - delta_h 51.21 kcal + Cu2Se + H+ = HSe- + 2 Cu+ + log_k -36.0922 + delta_h 51.21 kcal CuSe2 - CuSe2 + 2H+ + 2e- = 2HSe- + Cu+2 - log_k -33.3655 - delta_h 33.6 kcal + CuSe2 + 2 H+ + 2 e- = 2 HSe- + Cu+2 + log_k -33.3655 + delta_h 33.6 kcal Cu3Se2 - Cu3Se2 + 2H+ = 2HSe- + 2Cu+ + Cu+2 - log_k -63.4911 - delta_h 81.34 kcal + Cu3Se2 + 2 H+ = 2 HSe- + 2 Cu+ + Cu+2 + log_k -63.4911 + delta_h 81.34 kcal FeSe FeSe + H+ = HSe- + Fe+2 - log_k -7.1466 - delta_h 0.5 kcal + log_k -7.1466 + delta_h 0.5 kcal MnSe MnSe + H+ = HSe- + Mn+2 - log_k 5.3508 - delta_h -13.46 kcal + log_k 5.3508 + delta_h -13.46 kcal ZnSe ZnSe + H+ = HSe- + Zn+2 - log_k -11.3642 - delta_h 6.439 kcal + log_k -11.3642 + delta_h 6.439 kcal # cobalt not defined #CoSe @@ -5075,52 +5079,52 @@ ZnSe NiSe NiSe + H+ = HSe- + Ni+2 - log_k -17.7382 - delta_h -0 kcal + log_k -17.7382 + delta_h -0 kcal SeO2 SeO2 + H2O = HSeO3- + H+ - log_k 0.1246 - delta_h 0.335 kcal + log_k 0.1246 + delta_h 0.335 kcal BaSeO3 BaSeO3 + H+ = HSeO3- + Ba+2 - log_k 4.1634 - delta_h -6.28 kcal + log_k 4.1634 + delta_h -6.28 kcal CaSeO3:2H2O - CaSeO3:2H2O + H+ = HSeO3- + Ca+2 + 2H2O - log_k 2.8139 - delta_h -4.65 kcal + CaSeO3:2H2O + H+ = HSeO3- + Ca+2 + 2 H2O + log_k 2.8139 + delta_h -4.65 kcal CuSeO3:2H2O - CuSeO3:2H2O + H+ = HSeO3- + Cu+2 + 2H2O - log_k 0.4838 - delta_h -8.81 kcal + CuSeO3:2H2O + H+ = HSeO3- + Cu+2 + 2 H2O + log_k 0.4838 + delta_h -8.81 kcal Fe2(SeO3)3:2H2O - Fe2(SeO3)3:2H2O + 3H+ = 3HSeO3- + 2Fe+3 + 2H2O - log_k -20.6262 - delta_h -0 kcal + Fe2(SeO3)3:2H2O + 3 H+ = 3 HSeO3- + 2 Fe+3 + 2 H2O + log_k -20.6262 + delta_h -0 kcal Fe2(OH)4SeO3 - Fe2(OH)4SeO3 + 5H+ = HSeO3- + 2Fe+3 + 4H2O - log_k 1.5539 - delta_h -0 kcal + Fe2(OH)4SeO3 + 5 H+ = HSeO3- + 2 Fe+3 + 4 H2O + log_k 1.5539 + delta_h -0 kcal MgSeO3:6H2O - MgSeO3:6H2O + H+ = HSeO3- + Mg+2 + 6H2O - log_k 4.0314 - delta_h 1.25 kcal + MgSeO3:6H2O + H+ = HSeO3- + Mg+2 + 6 H2O + log_k 4.0314 + delta_h 1.25 kcal MnSeO3:2H2O - MnSeO3:2H2O + H+ = HSeO3- + Mn+2 + 2H2O - log_k 0.9822 - delta_h 2.03 kcal + MnSeO3:2H2O + H+ = HSeO3- + Mn+2 + 2 H2O + log_k 0.9822 + delta_h 2.03 kcal NiSeO3:2H2O - NiSeO3:2H2O + H+ = HSeO3- + Ni+2 + 2H2O - log_k 2.8147 - delta_h -7.41 kcal + NiSeO3:2H2O + H+ = HSeO3- + Ni+2 + 2 H2O + log_k 2.8147 + delta_h -7.41 kcal SrSeO3 SrSeO3 + H+ = HSeO3- + Sr+2 - log_k 0.1034 - delta_h -0 kcal + log_k 0.1034 + delta_h -0 kcal MnSeO3 MnSeO3 + H+ = HSeO3- + Mn+2 - log_k 1.21 - delta_h -0 kcal + log_k 1.21 + delta_h -0 kcal # cobalt not defined #CoSeO3 @@ -5128,181 +5132,181 @@ MnSeO3 # log_k 0.1906 # delta_h -0 kcal Ag2SeO3 - Ag2SeO3 + H+ = HSeO3- + 2Ag+ - log_k -7.07 - delta_h 9.47 kcal + Ag2SeO3 + H+ = HSeO3- + 2 Ag+ + log_k -7.07 + delta_h 9.47 kcal SeO3 - SeO3 + H2O = SeO4-2 + 2H+ - log_k 21.044 + SeO3 + H2O = SeO4-2 + 2 H+ + log_k 21.044 delta_h -34.985 kcal Ag2SeO4 - Ag2SeO4 = SeO4-2 + 2Ag+ - log_k -8.9014 - delta_h 10.45 kcal + Ag2SeO4 = SeO4-2 + 2 Ag+ + log_k -8.9014 + delta_h 10.45 kcal BaSeO4 BaSeO4 = SeO4-2 + Ba+2 - log_k -5.1895 - delta_h 2 kcal + log_k -5.1895 + delta_h 2 kcal CaSeO4:2H2O - CaSeO4:2H2O = SeO4-2 + Ca+2 + 2H2O - log_k -2.9473 - delta_h 0.88 kcal + CaSeO4:2H2O = SeO4-2 + Ca+2 + 2 H2O + log_k -2.9473 + delta_h 0.88 kcal PbSeO4 PbSeO4 = SeO4-2 + Pb+2 - log_k -6.8387 - delta_h 3.8 kcal + log_k -6.8387 + delta_h 3.8 kcal SrSeO4 SrSeO4 = SeO4-2 + Sr+2 - log_k -6.8747 - delta_h 2.69 kcal + log_k -6.8747 + delta_h 2.69 kcal HgMetal - Hg = 0.5Hg2+2 + e- - log_k -13.4552 - delta_h 19.935 kcal + Hg = 0.5 Hg2+2 + e- + log_k -13.4552 + delta_h 19.935 kcal Hg2Br2 - Hg2Br2 = Hg2+2 + 2Br- - log_k -22.2091 - delta_h 31.252 kcal + Hg2Br2 = Hg2+2 + 2 Br- + log_k -22.2091 + delta_h 31.252 kcal Hg2CO3 Hg2CO3 = Hg2+2 + CO3-2 - log_k -13.9586 - delta_h -0 kcal + log_k -13.9586 + delta_h -0 kcal Calomel - Hg2Cl2 = Hg2+2 + 2Cl- - log_k -17.8427 - delta_h 23.444 kcal + Hg2Cl2 = Hg2+2 + 2 Cl- + log_k -17.8427 + delta_h 23.444 kcal Hg2F2 - Hg2F2 = Hg2+2 + 2F- - log_k -3.0811 - delta_h -4.432 kcal + Hg2F2 = Hg2+2 + 2 F- + log_k -3.0811 + delta_h -4.432 kcal Hg2I2 - Hg2I2 = Hg2+2 + 2I- - log_k -28.2782 - delta_h -0 kcal + Hg2I2 = Hg2+2 + 2 I- + log_k -28.2782 + delta_h -0 kcal Hg2(OH)2 - Hg2(OH)2 + 2H+ = Hg2+2 + 2H2O - log_k 5.2603 - delta_h -0 kcal + Hg2(OH)2 + 2 H+ = Hg2+2 + 2 H2O + log_k 5.2603 + delta_h -0 kcal Hg2HPO4 Hg2HPO4 = Hg2+2 + H+ + PO4-3 - log_k -25.9795 - delta_h -0 kcal + log_k -25.9795 + delta_h -0 kcal Hg2S Hg2S + H+ = Hg2+2 + HS- - log_k -11.6765 - delta_h 16.67 kcal + log_k -11.6765 + delta_h 16.67 kcal Hg2SO4 Hg2SO4 = Hg2+2 + SO4-2 - log_k -6.1593 - delta_h 0.23 kcal + log_k -6.1593 + delta_h 0.23 kcal Hg2SeO3 Hg2SeO3 + H+ = Hg2+2 + HSeO3- - log_k -4.657 - delta_h -0 kcal + log_k -4.657 + delta_h -0 kcal HgBr2 - HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+ - log_k -25.373 - delta_h 34.452 kcal + HgBr2 + 2 H2O = Hg(OH)2 + 2 Br- + 2 H+ + log_k -25.373 + delta_h 34.452 kcal HgCO3 - HgCO3 + 2H2O = Hg(OH)2 + CO3-2 + 2H+ - log_k -28.6817 - delta_h 22.13 kcal + HgCO3 + 2 H2O = Hg(OH)2 + CO3-2 + 2 H+ + log_k -28.6817 + delta_h 22.13 kcal HgCl2 - HgCl2 + 2H2O = Hg(OH)2 + 2Cl- + 2H+ - log_k -21.7858 - delta_h 27.264 kcal + HgCl2 + 2 H2O = Hg(OH)2 + 2 Cl- + 2 H+ + log_k -21.7858 + delta_h 27.264 kcal Coccinite - HgI2 + 2H2O = Hg(OH)2 + 2I- + 2H+ - log_k -34.6599 - delta_h 49.732 kcal + HgI2 + 2 H2O = Hg(OH)2 + 2 I- + 2 H+ + log_k -34.6599 + delta_h 49.732 kcal Montroydite HgO + H2O = Hg(OH)2 - log_k -3.6503 - delta_h 5.115 kcal + log_k -3.6503 + delta_h 5.115 kcal Hg(OH)2 Hg(OH)2 = Hg(OH)2 - log_k -3.4963 - delta_h -0 kcal + log_k -3.4963 + delta_h -0 kcal Cinnabar - HgS + 2H2O = Hg(OH)2 + HS- + H+ - log_k -45.1885 - delta_h 60.43 kcal + HgS + 2 H2O = Hg(OH)2 + HS- + H+ + log_k -45.1885 + delta_h 60.43 kcal Metacinnabar - HgS + 2H2O = Hg(OH)2 + HS- + H+ - log_k -44.822 - delta_h 59.53 kcal + HgS + 2 H2O = Hg(OH)2 + HS- + H+ + log_k -44.822 + delta_h 59.53 kcal HgSO4 - HgSO4 + 2H2O = Hg(OH)2 + SO4-2 + 2H+ - log_k -9.4189 - delta_h 3.51 kcal + HgSO4 + 2 H2O = Hg(OH)2 + SO4-2 + 2 H+ + log_k -9.4189 + delta_h 3.51 kcal HgSeO3 - HgSeO3 + 2H2O = Hg(OH)2 + HSeO3- + H+ - log_k -12.6953 - delta_h -0 kcal + HgSeO3 + 2 H2O = Hg(OH)2 + HSeO3- + H+ + log_k -12.6953 + delta_h -0 kcal HgI2:2NH3 - HgI2:2NH3 + 2H2O = Hg(OH)2 + 2I- + 2NH4+ - log_k -16.1066 - delta_h 32.632 kcal + HgI2:2NH3 + 2 H2O = Hg(OH)2 + 2 I- + 2 NH4+ + log_k -16.1066 + delta_h 32.632 kcal HgI2:6NH3 - HgI2:6NH3 + 2H2O + 4H+ = Hg(OH)2 + 2I- + 6NH4+ - log_k 33.8566 + HgI2:6NH3 + 2 H2O + 4 H+ = Hg(OH)2 + 2 I- + 6 NH4+ + log_k 33.8566 delta_h -20.568 kcal Cr(OH)2 - Cr(OH)2 + 2H+ = Cr+2 + 2H2O - log_k 10.8189 - delta_h -8.51 kcal + Cr(OH)2 + 2 H+ = Cr+2 + 2 H2O + log_k 10.8189 + delta_h -8.51 kcal CrBr3 - CrBr3 + 2H2O = Cr(OH)2+ + 3Br- + 2H+ - log_k 19.9086 + CrBr3 + 2 H2O = Cr(OH)2+ + 3 Br- + 2 H+ + log_k 19.9086 delta_h -33.777 kcal CrCl3 - CrCl3 + 2H2O = Cr(OH)2+ + 3Cl- + 2H+ - log_k 13.5067 + CrCl3 + 2 H2O = Cr(OH)2+ + 3 Cl- + 2 H+ + log_k 13.5067 delta_h -27.509 kcal CrF3 - CrF3 + 2H2O = Cr(OH)2+ + 3F- + 2H+ - log_k -13.2597 - delta_h -4.363 kcal + CrF3 + 2 H2O = Cr(OH)2+ + 3 F- + 2 H+ + log_k -13.2597 + delta_h -4.363 kcal CrI3 - CrI3 + 2H2O = Cr(OH)2+ + 3I- + 2H+ - log_k 20.4767 + CrI3 + 2 H2O = Cr(OH)2+ + 3 I- + 2 H+ + log_k 20.4767 delta_h -32.127 kcal FeCr2O4 - FeCr2O4 + 4H+ = 2Cr(OH)2+ + Fe+2 - log_k -0.9016 - delta_h -24.86 kcal + FeCr2O4 + 4 H+ = 2 Cr(OH)2+ + Fe+2 + log_k -0.9016 + delta_h -24.86 kcal MgCr2O4 - MgCr2O4 + 4H+ = 2Cr(OH)2+ + Mg+2 - log_k 12.0796 - delta_h -39.86 kcal + MgCr2O4 + 4 H+ = 2 Cr(OH)2+ + Mg+2 + log_k 12.0796 + delta_h -39.86 kcal CrMetal - Cr = Cr+2 + 2e- - log_k 32.244 - delta_h -34.3 kcal + Cr = Cr+2 + 2 e- + log_k 32.244 + delta_h -34.3 kcal Cr2O3 - Cr2O3 + 2H+ + H2O = 2Cr(OH)2+ - log_k -3.3937 + Cr2O3 + 2 H+ + H2O = 2 Cr(OH)2+ + log_k -3.3937 delta_h -12.125 kcal Cr(OH)3(A) Cr(OH)3 + H+ = Cr(OH)2+ + H2O - log_k -0.75 - delta_h -0 kcal + log_k -0.75 + delta_h -0 kcal Cr(OH)3(C) Cr(OH)3 + H+ = Cr(OH)2+ + H2O - log_k 1.7005 - delta_h -7.115 kcal + log_k 1.7005 + delta_h -7.115 kcal CrCl2 - CrCl2 = Cr+2 + 2Cl- - log_k 15.8676 + CrCl2 = Cr+2 + 2 Cl- + log_k 15.8676 delta_h -19.666 kcal Ag2CrO4 - Ag2CrO4 = CrO4-2 + 2Ag+ - log_k -11.5548 - delta_h 14.04 kcal + Ag2CrO4 = CrO4-2 + 2 Ag+ + log_k -11.5548 + delta_h 14.04 kcal BaCrO4 BaCrO4 = CrO4-2 + Ba+2 - log_k -9.6681 - delta_h 6.39 kcal + log_k -9.6681 + delta_h 6.39 kcal # Cesium not defined #Cs2CrO4 @@ -5316,335 +5320,335 @@ BaCrO4 CuCrO4 CuCrO4 = CrO4-2 + Cu+2 - log_k -5.4754 - delta_h -0 kcal + log_k -5.4754 + delta_h -0 kcal K2CrO4 - K2CrO4 = CrO4-2 + 2K+ - log_k 0.0073 - delta_h 4.25 kcal + K2CrO4 = CrO4-2 + 2 K+ + log_k 0.0073 + delta_h 4.25 kcal K2Cr2O7 - K2Cr2O7 + H2O = 2CrO4-2 + 2K+ + 2H+ - log_k -15.6712 - delta_h 18.125 kcal + K2Cr2O7 + H2O = 2 CrO4-2 + 2 K+ + 2 H+ + log_k -15.6712 + delta_h 18.125 kcal Li2CrO4 - Li2CrO4 = CrO4-2 + 2Li+ - log_k 4.8568 + Li2CrO4 = CrO4-2 + 2 Li+ + log_k 4.8568 delta_h -10.822 kcal MgCrO4 MgCrO4 = CrO4-2 + Mg+2 - log_k 5.3801 - delta_h -21.26 kcal + log_k 5.3801 + delta_h -21.26 kcal (NH4)2CrO4 - (NH4)2CrO4 = CrO4-2 + 2NH4+ - log_k 0.4046 - delta_h 2.19 kcal + (NH4)2CrO4 = CrO4-2 + 2 NH4+ + log_k 0.4046 + delta_h 2.19 kcal Na2CrO4 - Na2CrO4 = CrO4-2 + 2Na+ - log_k 3.2618 - delta_h -4.61 kcal + Na2CrO4 = CrO4-2 + 2 Na+ + log_k 3.2618 + delta_h -4.61 kcal Na2Cr2O7 - Na2Cr2O7 + H2O = 2CrO4-2 + 2Na+ + 2H+ - log_k -9.8953 - delta_h 5.305 kcal + Na2Cr2O7 + H2O = 2 CrO4-2 + 2 Na+ + 2 H+ + log_k -9.8953 + delta_h 5.305 kcal PbCrO4 PbCrO4 = CrO4-2 + Pb+2 - log_k -13.6848 - delta_h 10.23 kcal + log_k -13.6848 + delta_h 10.23 kcal Rb2CrO4 - Rb2CrO4 = CrO4-2 + 2Rb+ - log_k -0.0968 - delta_h 5.892 kcal + Rb2CrO4 = CrO4-2 + 2 Rb+ + log_k -0.0968 + delta_h 5.892 kcal SrCrO4 SrCrO4 = CrO4-2 + Sr+2 - log_k -4.8443 - delta_h -2.42 kcal + log_k -4.8443 + delta_h -2.42 kcal CrO3 - CrO3 + H2O = CrO4-2 + 2H+ - log_k -3.2105 - delta_h -1.245 kcal + CrO3 + H2O = CrO4-2 + 2 H+ + log_k -3.2105 + delta_h -1.245 kcal CaCrO4 CaCrO4 = Ca+2 + CrO4-2 - log_k -2.2657 - delta_h -6.44 kcal + log_k -2.2657 + delta_h -6.44 kcal Hg2CrO4 Hg2CrO4 = Hg2+2 + CrO4-2 - log_k -8.7031 - delta_h -0 kcal + log_k -8.7031 + delta_h -0 kcal Tl2CrO4 - Tl2CrO4 = 2Tl+ + CrO4-2 - log_k -12.0136 - delta_h 25.31 kcal + Tl2CrO4 = 2 Tl+ + CrO4-2 + log_k -12.0136 + delta_h 25.31 kcal Ag4FeCyanide6:H2O - Ag4FeCyanide6:H2O = 6Cyanide- + 4Ag+ + Fe+2 + H2O - log_k -89.6909 - delta_h -0 kcal + Ag4FeCyanide6:H2O = 6 Cyanide- + 4 Ag+ + Fe+2 + H2O + log_k -89.6909 + delta_h -0 kcal AgCyanide AgCyanide = Cyanide- + Ag+ - log_k -16.218 - delta_h 26.385 kcal + log_k -16.218 + delta_h 26.385 kcal Cd2FeCyanide6:7H2O - Cd2FeCyanide6:7H2O = 6Cyanide- + 2Cd+2 + Fe+2 + 7H2O - log_k -62.9824 - delta_h -0 kcal + Cd2FeCyanide6:7H2O = 6 Cyanide- + 2 Cd+2 + Fe+2 + 7 H2O + log_k -62.9824 + delta_h -0 kcal CrCyanide CrCyanide = Cyanide- + Cr+2 + e- - log_k 23.888 - delta_h -0 kcal + log_k 23.888 + delta_h -0 kcal Cr2Cyanide - Cr2Cyanide = Cyanide- + 2Cr+2 + 3e- - log_k 56.645 - delta_h -0 kcal + Cr2Cyanide = Cyanide- + 2 Cr+2 + 3 e- + log_k 56.645 + delta_h -0 kcal CuCyanide CuCyanide = Cyanide- + Cu+ - log_k -19.4974 - delta_h 30.2 kcal + log_k -19.4974 + delta_h 30.2 kcal Cu2FeCyanide6 - Cu2FeCyanide6 = 6Cyanide- + 2Cu+2 + Fe+2 - log_k -61.4168 - delta_h -0 kcal + Cu2FeCyanide6 = 6 Cyanide- + 2 Cu+2 + Fe+2 + log_k -61.4168 + delta_h -0 kcal CyanideI - CyanideI + 2e- = Cyanide- + I- - log_k 11.3114 + CyanideI + 2 e- = Cyanide- + I- + log_k 11.3114 delta_h -17.309 kcal K12Ni8(FeCyanide6)7 - K12Ni8(FeCyanide6)7 = 42Cyanide- + 12K+ + 8Ni+2 + 7Fe+2 - log_k -431.09 - delta_h -0 kcal + K12Ni8(FeCyanide6)7 = 42 Cyanide- + 12 K+ + 8 Ni+2 + 7 Fe+2 + log_k -431.09 + delta_h -0 kcal KCyanide(I) KCyanide = Cyanide- + K+ - log_k 1.4403 - delta_h 2.74 kcal + log_k 1.4403 + delta_h 2.74 kcal K2CdFeCyanide6 - K2CdFeCyanide6 = 6Cyanide- + 2K+ + Cd+2 + Fe+2 - log_k -63.0279 - delta_h -0 kcal + K2CdFeCyanide6 = 6 Cyanide- + 2 K+ + Cd+2 + Fe+2 + log_k -63.0279 + delta_h -0 kcal K4Ni4(FeCyanide6)3 - K4Ni4(FeCyanide6)3 = 18Cyanide- + 4K+ + 4Ni+2 + 3Fe+2 - log_k -183.547 - delta_h -0 kcal + K4Ni4(FeCyanide6)3 = 18 Cyanide- + 4 K+ + 4 Ni+2 + 3 Fe+2 + log_k -183.547 + delta_h -0 kcal K4FeCyanide6 - K4FeCyanide6 = 6Cyanide- + 4K+ + Fe+2 - log_k -48.8241 - delta_h 95.62 kcal + K4FeCyanide6 = 6 Cyanide- + 4 K+ + Fe+2 + log_k -48.8241 + delta_h 95.62 kcal K2Mn3(FeCyanide6)2 - K2Mn3(FeCyanide6)2 = 12Cyanide- + 2K+ + 3Mn+2 + 2Fe+2 - log_k -121.001 - delta_h -0 kcal + K2Mn3(FeCyanide6)2 = 12 Cyanide- + 2 K+ + 3 Mn+2 + 2 Fe+2 + log_k -121.001 + delta_h -0 kcal K2Ni3(FeCyanide6)2 - K2Ni3(FeCyanide6)2 = 12Cyanide- + 2K+ + 3Ni+2 + 2Fe+2 - log_k -123.127 - delta_h -0 kcal + K2Ni3(FeCyanide6)2 = 12 Cyanide- + 2 K+ + 3 Ni+2 + 2 Fe+2 + log_k -123.127 + delta_h -0 kcal K4FeCyanide6:3H2O - K4FeCyanide6:3H2O = 6Cyanide- + 4K+ + Fe+2 + 3H2O - log_k -49.5424 - delta_h 99.175 kcal + K4FeCyanide6:3H2O = 6 Cyanide- + 4 K+ + Fe+2 + 3 H2O + log_k -49.5424 + delta_h 99.175 kcal K12Cd8(FeCyanide6)7 - K12Cd8(FeCyanide6)7 = 42Cyanide- + 12K+ + 8Cd+2 + 7Fe+2 - log_k -441.985 - delta_h -0 kcal + K12Cd8(FeCyanide6)7 = 42 Cyanide- + 12 K+ + 8 Cd+2 + 7 Fe+2 + log_k -441.985 + delta_h -0 kcal KZn1.5FeCyanide6 - KZn1.5FeCyanide6 = 6Cyanide- + K+ + 1.5Zn+2 + Fe+2 - log_k -66.8086 - delta_h -0 kcal + KZn1.5FeCyanide6 = 6 Cyanide- + K+ + 1.5 Zn+2 + Fe+2 + log_k -66.8086 + delta_h -0 kcal K3FeCyanide6 - K3FeCyanide6 = 6Cyanide- + 3K+ + Fe+3 - log_k -54.644 - delta_h 83.29 kcal + K3FeCyanide6 = 6 Cyanide- + 3 K+ + Fe+3 + log_k -54.644 + delta_h 83.29 kcal K8Mn6(FeCyanide6)5 - K8Mn6(FeCyanide6)5 = 30Cyanide- + 8K+ + 6Mn+2 + 5Fe+2 - log_k -293.685 - delta_h -0 kcal + K8Mn6(FeCyanide6)5 = 30 Cyanide- + 8 K+ + 6 Mn+2 + 5 Fe+2 + log_k -293.685 + delta_h -0 kcal K2Cu2FeCyanide6 - K2Cu2FeCyanide6 = 6Cyanide- + 2K+ + 2Cu+ + Fe+2 - log_k -72.5142 - delta_h -0 kcal + K2Cu2FeCyanide6 = 6 Cyanide- + 2 K+ + 2 Cu+ + Fe+2 + log_k -72.5142 + delta_h -0 kcal Mn2FeCyanide6 - Mn2FeCyanide6 = 6Cyanide- + 2Mn+2 + Fe+2 - log_k -59.0272 - delta_h -0 kcal + Mn2FeCyanide6 = 6 Cyanide- + 2 Mn+2 + Fe+2 + log_k -59.0272 + delta_h -0 kcal NaCyanide NaCyanide = Cyanide- + Na+ - log_k 2.2869 - delta_h -0.52 kcal + log_k 2.2869 + delta_h -0.52 kcal Pb2FeCyanide6:3H2O - Pb2FeCyanide6:3H2O = 6Cyanide- + 2Pb+2 + Fe+2 + 3H2O - log_k -63.6011 - delta_h -0 kcal + Pb2FeCyanide6:3H2O = 6 Cyanide- + 2 Pb+2 + Fe+2 + 3 H2O + log_k -63.6011 + delta_h -0 kcal Tl4FeCyanide6:2H2O - Tl4FeCyanide6:2H2O = 6Cyanide- + 4Tl+ + Fe+2 + 2H2O - log_k -56.9162 - delta_h -0 kcal + Tl4FeCyanide6:2H2O = 6 Cyanide- + 4 Tl+ + Fe+2 + 2 H2O + log_k -56.9162 + delta_h -0 kcal Zn2FeCyanide6:2H2O - Zn2FeCyanide6:2H2O = 6Cyanide- + 2Zn+2 + Fe+2 + 2H2O - log_k -61.2321 - delta_h -0 kcal + Zn2FeCyanide6:2H2O = 6 Cyanide- + 2 Zn+2 + Fe+2 + 2 H2O + log_k -61.2321 + delta_h -0 kcal AgCyanate AgCyanate = Cyanate- + Ag+ - log_k -6.6159 - delta_h 13.175 kcal + log_k -6.6159 + delta_h 13.175 kcal Ag4Fe(Cyanide)6 - Ag4Fe(Cyanide)6 = 6Cyanide- + 4Ag+ + Fe+2 - log_k -193.914 - delta_h 260.91 kcal + Ag4Fe(Cyanide)6 = 6 Cyanide- + 4 Ag+ + Fe+2 + log_k -193.914 + delta_h 260.91 kcal Cd2Fe(Cyanide)6 - Cd2Fe(Cyanide)6 = 6Cyanide- + 2Cd+2 + Fe+2 - log_k -28.2243 - delta_h -0 kcal + Cd2Fe(Cyanide)6 = 6 Cyanide- + 2 Cd+2 + Fe+2 + log_k -28.2243 + delta_h -0 kcal Hg(Cyanide)2 - Hg(Cyanide)2 + 2H2O = Hg(OH)2 + 2Cyanide- + 2H+ - log_k -45.3791 - delta_h 60.73 kcal + Hg(Cyanide)2 + 2 H2O = Hg(OH)2 + 2 Cyanide- + 2 H+ + log_k -45.3791 + delta_h 60.73 kcal Pb2Fe(Cyanide)6 - Pb2Fe(Cyanide)6 = 6Cyanide- + 2Pb+2 + Fe+2 - log_k -27.5895 - delta_h -0 kcal + Pb2Fe(Cyanide)6 = 6 Cyanide- + 2 Pb+2 + Fe+2 + log_k -27.5895 + delta_h -0 kcal Zn2Fe(Cyanide)6 - Zn2Fe(Cyanide)6 = 6Cyanide- + 2Zn+2 + Fe+2 - log_k -29.9263 - delta_h -0 kcal + Zn2Fe(Cyanide)6 = 6 Cyanide- + 2 Zn+2 + Fe+2 + log_k -29.9263 + delta_h -0 kcal CH4(g) - CH4 + 3H2O = CO3-2 + 8e- + 10H+ - log_k -40.1 - delta_h 61 kcal + CH4 + 3 H2O = CO3-2 + 8 e- + 10 H+ + log_k -40.1 + delta_h 61 kcal CO2(g) - CO2 + H2O = CO3-2 + 2H+ - log_k -18.16 - delta_h 0.53 kcal + CO2 + H2O = CO3-2 + 2 H+ + log_k -18.16 + delta_h 0.53 kcal O2(g) - O2 + 4H+ + 4e- = 2H2O - log_k 83.12 + O2 + 4 H+ + 4 e- = 2 H2O + log_k 83.12 delta_h -133.83 kcal Hg(g) - Hg = 0.5Hg2+2 + e- - log_k -7.8708 - delta_h 5.265 kcal + Hg = 0.5 Hg2+2 + e- + log_k -7.8708 + delta_h 5.265 kcal Hg2(g) - Hg2 = Hg2+2 + 2e- - log_k -14.963 - delta_h 13.87 kcal + Hg2 = Hg2+2 + 2 e- + log_k -14.963 + delta_h 13.87 kcal Hg(CH3)2(g) - Hg(CH3)2 + 8H2O = Hg(OH)2 + 2CO3-2 + 16e- + 20H+ - log_k -73.724 - delta_h 115.4 kcal + Hg(CH3)2 + 8 H2O = Hg(OH)2 + 2 CO3-2 + 16 e- + 20 H+ + log_k -73.724 + delta_h 115.4 kcal HgBr(g) - HgBr = 0.5Hg2+2 + Br- - log_k 16.79 + HgBr = 0.5 Hg2+2 + Br- + log_k 16.79 delta_h -34.004 kcal HgCl(g) - HgCl = 0.5Hg2+2 + Cl- - log_k 20.5 + HgCl = 0.5 Hg2+2 + Cl- + log_k 20.5 delta_h -40.098 kcal HgF(g) - HgF = 0.5Hg2+2 + F- - log_k 32.72 + HgF = 0.5 Hg2+2 + F- + log_k 32.72 delta_h -60.916 kcal HgI(g) - HgI = 0.5Hg2+2 + I- - log_k 11.15 + HgI = 0.5 Hg2+2 + I- + log_k 11.15 delta_h -25.264 kcal HgBr2(g) - HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+ - log_k -18.47 - delta_h 14.35 kcal + HgBr2 + 2 H2O = Hg(OH)2 + 2 Br- + 2 H+ + log_k -18.47 + delta_h 14.35 kcal HgF2(g) - HgF2 + 2H2O = Hg(OH)2 + 2F- + 2H+ - log_k 0.38 - delta_h -0 kcal + HgF2 + 2 H2O = Hg(OH)2 + 2 F- + 2 H+ + log_k 0.38 + delta_h -0 kcal HgI2(g) - HgI2 + 2H2O = Hg(OH)2 + 2I- + 2H+ - log_k -27.28 - delta_h 28.63 kcal + HgI2 + 2 H2O = Hg(OH)2 + 2 I- + 2 H+ + log_k -27.28 + delta_h 28.63 kcal SURFACE_MASTER_SPECIES - Hfo_s Hfo_sOH - Hfo_w Hfo_wOH + Hfo_s Hfo_sOH + Hfo_w Hfo_wOH SURFACE_SPECIES -Hfo_wOH = Hfo_wOH - log_k 0.0 -Hfo_sOH = Hfo_sOH - log_k 0.0 -Hfo_wOH = Hfo_wO- + H+ - log_k -8.93 -Hfo_wOH + H+ = Hfo_wOH2+ - log_k 7.29 -Hfo_sOH = Hfo_sO- + H+ - log_k -8.93 -Hfo_sOH + H+ = Hfo_sOH2+ - log_k 7.29 -Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+ - log_k -1.99 -Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+ - log_k 0.97 -Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+ - log_k -2.9 -Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+ - log_k 0.43 -Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+ - log_k 2.85 -Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+ - log_k 0.6 -Hfo_sOH + Be+2 = Hfo_sOBe+ + H+ - log_k 1.898 -Hfo_wOH + Be+2 = Hfo_wOBe+ + H+ - log_k -0.8626 -Hfo_sOH + Ni+2 = Hfo_sONi+ + H+ - log_k 0.15 -Hfo_wOH + Ni+2 = Hfo_wONi+ + H+ - log_k -2.5 -Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+ - log_k 4.71 -Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+ - log_k 0.3 -Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ - log_k -5.85 +Hfo_wOH = Hfo_wOH + log_k 0 +Hfo_sOH = Hfo_sOH + log_k 0 +Hfo_wOH = Hfo_wO- + H+ + log_k -8.93 +Hfo_wOH + H+ = Hfo_wOH2+ + log_k 7.29 +Hfo_sOH = Hfo_sO- + H+ + log_k -8.93 +Hfo_sOH + H+ = Hfo_sOH2+ + log_k 7.29 +Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+ + log_k -1.99 +Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+ + log_k 0.97 +Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+ + log_k -2.9 +Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+ + log_k 0.43 +Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+ + log_k 2.85 +Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+ + log_k 0.6 +Hfo_sOH + Be+2 = Hfo_sOBe+ + H+ + log_k 1.898 +Hfo_wOH + Be+2 = Hfo_wOBe+ + H+ + log_k -0.8626 +Hfo_sOH + Ni+2 = Hfo_sONi+ + H+ + log_k 0.15 +Hfo_wOH + Ni+2 = Hfo_wONi+ + H+ + log_k -2.5 +Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+ + log_k 4.71 +Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+ + log_k 0.3 +Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ + log_k -5.85 Hfo_sOH + Ca+2 = Hfo_sOHCa+2 - log_k 4.97 + log_k 4.97 Hfo_sOH + Ba+2 = Hfo_sOHBa+2 - log_k 5.46 + log_k 5.46 Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+ - log_k -7.2 -Hfo_sOH + H+ + SO4-2 = Hfo_sSO4- + H2O - log_k 7.78 -Hfo_wOH + H+ + SO4-2 = Hfo_wSO4- + H2O - log_k 7.78 + log_k -7.2 +Hfo_sOH + H+ + SO4-2 = Hfo_sSO4- + H2O + log_k 7.78 +Hfo_wOH + H+ + SO4-2 = Hfo_wSO4- + H2O + log_k 7.78 Hfo_sOH + SO4-2 = Hfo_sOHSO4-2 - log_k 0.79 + log_k 0.79 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 - log_k 0.79 -Hfo_sOH + PO4-3 + 3H+ = Hfo_sH2PO4 + H2O - log_k 31.29 -Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O - log_k 31.29 -Hfo_sOH + PO4-3 + 2H+ = Hfo_sHPO4- + H2O - log_k 25.39 -Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O - log_k 25.39 + log_k 0.79 +Hfo_sOH + PO4-3 + 3 H+ = Hfo_sH2PO4 + H2O + log_k 31.29 +Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O + log_k 31.29 +Hfo_sOH + PO4-3 + 2 H+ = Hfo_sHPO4- + H2O + log_k 25.39 +Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O + log_k 25.39 Hfo_sOH + PO4-3 + H+ = Hfo_sPO4-2 + H2O - log_k 17.72 + log_k 17.72 Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O - log_k 17.72 + log_k 17.72 Hfo_sOH + H3AsO3 = Hfo_sH2AsO3 + H2O - log_k 5.41 + log_k 5.41 Hfo_wOH + H3AsO3 = Hfo_wH2AsO3 + H2O - log_k 5.41 + log_k 5.41 Hfo_sOH + H3AsO4 = Hfo_sH2AsO4 + H2O - log_k 8.67 + log_k 8.67 Hfo_wOH + H3AsO4 = Hfo_wH2AsO4 + H2O - log_k 8.67 -Hfo_sOH + H3AsO4 = Hfo_sHAsO4- + H2O + H+ - log_k 2.99 -Hfo_wOH + H3AsO4 = Hfo_wHAsO4- + H2O + H+ - log_k 2.99 -Hfo_sOH + H3AsO4 = Hfo_sAsO4-2 + H2O + 2H+ - log_k -4.7 -Hfo_wOH + H3AsO4 = Hfo_wAsO4-2 + H2O + 2H+ - log_k -4.7 -Hfo_sOH + H3AsO4 = Hfo_sOHAsO4-3 + 3H+ - log_k -10.15 -Hfo_wOH + H3AsO4 = Hfo_wOHAsO4-3 + 3H+ - log_k -10.15 + log_k 8.67 +Hfo_sOH + H3AsO4 = Hfo_sHAsO4- + H2O + H+ + log_k 2.99 +Hfo_wOH + H3AsO4 = Hfo_wHAsO4- + H2O + H+ + log_k 2.99 +Hfo_sOH + H3AsO4 = Hfo_sAsO4-2 + H2O + 2 H+ + log_k -4.7 +Hfo_wOH + H3AsO4 = Hfo_wAsO4-2 + H2O + 2 H+ + log_k -4.7 +Hfo_sOH + H3AsO4 = Hfo_sOHAsO4-3 + 3 H+ + log_k -10.15 +Hfo_wOH + H3AsO4 = Hfo_wOHAsO4-3 + 3 H+ + log_k -10.15 Hfo_sOH + H3BO3 = Hfo_sH2BO3 + H2O - log_k 0.62 + log_k 0.62 Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O - log_k 0.62 + log_k 0.62 END diff --git a/database/minteq.v4.dat b/database/minteq.v4.dat index 48f51bca5..3e81fd8f3 100644 --- a/database/minteq.v4.dat +++ b/database/minteq.v4.dat @@ -1,127 +1,131 @@ +# File 1 = C:\GitPrograms\phreeqc3-1\database\minteq.v4.dat, 15/03/2024 15:27, 13208 lines, 399299 bytes, md5=fa307060a8f8affd6f41cb15d2225ff6 +# Created 17 May 2024 14:30:41 +# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "minteq.v4.dat" + # $Id: minteq.v4.dat 11091 2016-04-21 15:20:05Z dlpark $ SOLUTION_MASTER_SPECIES -Alkalinity CO3-2 2.0 HCO3 61.0173 -E e- 0 0 0 -O H2O 0 O 16.00 -O(-2) H2O 0 O -O(0) O2 0 O -Ag Ag+ 0.0 Ag 107.868 -Al Al+3 0.0 Al 26.9815 -As H3AsO4 -1.0 As 74.9216 -As(3) H3AsO3 0.0 As -As(5) H3AsO4 -1.0 As -B H3BO3 0.0 B 10.81 -Ba Ba+2 0.0 Ba 137.33 -Be Be+2 0.0 Be 9.0122 -Br Br- 0.0 Br 79.904 -C CO3-2 2.0 CO3 12.0111 -C(4) CO3-2 2.0 CO3 12.0111 -Cyanide Cyanide- 1.0 Cyanide 26.0177 -Dom_a Dom_a 0.0 C 12.0111 -Dom_b Dom_b 0.0 C 12.0111 -Dom_c Dom_c 0.0 C 12.0111 -Ca Ca+2 0.0 Ca 40.078 -Cd Cd+2 0.0 Cd 112.41 -Cl Cl- 0.0 Cl 35.453 -Co Co+3 -1.0 Co 58.9332 -Co(2) Co+2 0.0 Co -Co(3) Co+3 -1.0 Co -Cr CrO4-2 1.0 Cr 51.996 -Cr(2) Cr+2 0.0 Cr -Cr(3) Cr(OH)2+ 0.0 Cr -Cr(6) CrO4-2 1.0 Cr -Cu Cu+2 0.0 Cu 63.546 -Cu(1) Cu+ 0.0 Cu -Cu(2) Cu+2 0.0 Cu -F F- 0.0 F 18.9984 -Fe Fe+3 -2.0 Fe 55.847 -Fe(2) Fe+2 0.0 Fe -Fe(3) Fe+3 -2.0 Fe -H H+ -1.0 H 1.0079 -H(0) H2 0 H -H(1) H+ -1.0 H -Hg Hg(OH)2 0.0 Hg 200.59 -Hg(0) Hg 0.0 Hg -Hg(1) Hg2+2 0.0 Hg -Hg(2) Hg(OH)2 0.0 Hg -I I- 0.0 I 126.904 -K K+ 0.0 K 39.0983 -Li Li+ 0.0 Li 6.941 -Mg Mg+2 0.0 Mg 24.305 -Mn Mn+3 0.0 Mn 54.938 -Mn(2) Mn+2 0.0 Mn -Mn(3) Mn+3 0.0 Mn -Mn(6) MnO4-2 0.0 Mn -Mn(7) MnO4- 0.0 Mn -Mo MoO4-2 0.0 Mo 95.94 -N NO3- 0.0 N 14.0067 -N(-3) NH4+ 0.0 N -N(3) NO2- 0.0 N -N(5) NO3- 0.0 N -Na Na+ 0.0 Na 22.9898 -Ni Ni+2 0.0 Ni 58.69 -P PO4-3 2.0 P 30.9738 -Pb Pb+2 0.0 Pb 207.2 -S SO4-2 0.0 SO4 32.066 -S(-2) HS- 1.0 S +Alkalinity CO3-2 2 HCO3 61.0173 +E e- 1 0 0 +O H2O 0 O 16 +O(-2) H2O 0 O +O(0) O2 0 O +Ag Ag+ 0 Ag 107.868 +Al Al+3 0 Al 26.9815 +As H3AsO4 -1 As 74.9216 +As(3) H3AsO3 0 As +As(5) H3AsO4 -1 As +B H3BO3 0 B 10.81 +Ba Ba+2 0 Ba 137.33 +Be Be+2 0 Be 9.0122 +Br Br- 0 Br 79.904 +C CO3-2 2 CO3 12.0111 +C(4) CO3-2 2 CO3 12.0111 +Cyanide Cyanide- 1 Cyanide 26.0177 +Dom_a Dom_a 0 C 12.0111 +Dom_b Dom_b 0 C 12.0111 +Dom_c Dom_c 0 C 12.0111 +Ca Ca+2 0 Ca 40.078 +Cd Cd+2 0 Cd 112.41 +Cl Cl- 0 Cl 35.453 +Co Co+3 -1 Co 58.9332 +Co(2) Co+2 0 Co +Co(3) Co+3 -1 Co +Cr CrO4-2 1 Cr 51.996 +Cr(2) Cr+2 0 Cr +Cr(3) Cr(OH)2+ 0 Cr +Cr(6) CrO4-2 1 Cr +Cu Cu+2 0 Cu 63.546 +Cu(1) Cu+ 0 Cu +Cu(2) Cu+2 0 Cu +F F- 0 F 18.9984 +Fe Fe+3 -2 Fe 55.847 +Fe(2) Fe+2 0 Fe +Fe(3) Fe+3 -2 Fe +H H+ -1 H 1.0079 +H(0) H2 0 H +H(1) H+ -1 H +Hg Hg(OH)2 0 Hg 200.59 +Hg(0) Hg 0 Hg +Hg(1) Hg2+2 0 Hg +Hg(2) Hg(OH)2 0 Hg +I I- 0 I 126.904 +K K+ 0 K 39.0983 +Li Li+ 0 Li 6.941 +Mg Mg+2 0 Mg 24.305 +Mn Mn+3 0 Mn 54.938 +Mn(2) Mn+2 0 Mn +Mn(3) Mn+3 0 Mn +Mn(6) MnO4-2 0 Mn +Mn(7) MnO4- 0 Mn +Mo MoO4-2 0 Mo 95.94 +N NO3- 0 N 14.0067 +N(-3) NH4+ 0 N +N(3) NO2- 0 N +N(5) NO3- 0 N +Na Na+ 0 Na 22.9898 +Ni Ni+2 0 Ni 58.69 +P PO4-3 2 P 30.9738 +Pb Pb+2 0 Pb 207.2 +S SO4-2 0 SO4 32.066 +S(-2) HS- 1 S #S(0) S 0.0 S -S(6) SO4-2 0.0 SO4 -Sb Sb(OH)6- 0.0 Sb 121.75 -Sb(3) Sb(OH)3 0.0 Sb -Sb(5) Sb(OH)6- 0.0 Sb -Se SeO4-2 0.0 Se 78.96 -Se(-2) HSe- 0.0 Se -Se(4) HSeO3- 0.0 Se -Se(6) SeO4-2 0.0 Se -Si H4SiO4 0.0 SiO2 28.0843 -Sn Sn(OH)6-2 0.0 Sn 118.71 -Sn(2) Sn(OH)2 0.0 Sn -Sn(4) Sn(OH)6-2 0.0 Sn -Sr Sr+2 0.0 Sr 87.62 -Tl Tl(OH)3 0.0 Tl 204.383 -Tl(1) Tl+ 0.0 Tl -Tl(3) Tl(OH)3 0.0 Tl -U UO2+2 0.0 U 238.029 -U(3) U+3 0.0 U -U(4) U+4 -4.0 U -U(5) UO2+ 0.0 U -U(6) UO2+2 0.0 U -V VO2+ -2.0 V 50.94 -V(2) V+2 0.0 V -V(3) V+3 -3.0 V -V(4) VO+2 0.0 V -V(5) VO2+ -2.0 V -Zn Zn+2 0.0 Zn 65.39 -Benzoate Benzoate- 0.0 121.116 121.116 -Phenylacetate Phenylacetate- 0.0 135.142 135.142 -Isophthalate Isophthalate-2 0.0 164.117 164.117 -Diethylamine Diethylamine 1.0 73.138 73.138 -Butylamine Butylamine 1.0 73.138 73.138 -Methylamine Methylamine 1.0 31.057 31.057 -Dimethylamine Dimethylamine 1.0 45.084 45.084 -Hexylamine Hexylamine 1.0 101.192 101.192 -Ethylenediamine Ethylenediamine 2.0 60.099 60.099 -Propylamine Propylamine 1.0 59.111 59.111 -Isopropylamine Isopropylamine 1.0 59.111 59.111 -Trimethylamine Trimethylamine 1.0 59.111 59.111 -Citrate Citrate-3 2.0 189.102 189.102 -Nta Nta-3 1.0 188.117 188.117 -Edta Edta-4 2.0 288.214 288.214 -Propionate Propionate- 1.0 73.072 73.072 -Butyrate Butyrate- 1.0 87.098 87.098 -Isobutyrate Isobutyrate- 1.0 87.098 87.098 -Two_picoline Two_picoline 1.0 93.128 93.128 -Three_picoline Three_picoline 1.0 93.128 93.128 -Four_picoline Four_picoline 1.0 93.128 93.128 -Formate Formate- 0.0 45.018 45.018 -Isovalerate Isovalerate- 1.0 101.125 101.125 -Valerate Valerate- 1.0 101.125 101.125 -Acetate Acetate- 1.0 59.045 59.045 -Tartarate Tartarate-2 0.0 148.072 148.072 -Glycine Glycine- 1.0 74.059 74.059 -Salicylate Salicylate-2 1.0 136.107 136.107 -Glutamate Glutamate-2 1.0 145.115 145.115 -Phthalate Phthalate-2 1.0 164.117 164.117 +S(6) SO4-2 0 SO4 +Sb Sb(OH)6- 0 Sb 121.75 +Sb(3) Sb(OH)3 0 Sb +Sb(5) Sb(OH)6- 0 Sb +Se SeO4-2 0 Se 78.96 +Se(-2) HSe- 0 Se +Se(4) HSeO3- 0 Se +Se(6) SeO4-2 0 Se +Si H4SiO4 0 SiO2 28.0843 +Sn Sn(OH)6-2 0 Sn 118.71 +Sn(2) Sn(OH)2 0 Sn +Sn(4) Sn(OH)6-2 0 Sn +Sr Sr+2 0 Sr 87.62 +Tl Tl(OH)3 0 Tl 204.383 +Tl(1) Tl+ 0 Tl +Tl(3) Tl(OH)3 0 Tl +U UO2+2 0 U 238.029 +U(3) U+3 0 U +U(4) U+4 -4 U +U(5) UO2+ 0 U +U(6) UO2+2 0 U +V VO2+ -2 V 50.94 +V(2) V+2 0 V +V(3) V+3 -3 V +V(4) VO+2 0 V +V(5) VO2+ -2 V +Zn Zn+2 0 Zn 65.39 +Benzoate Benzoate- 0 121.116 121.116 +Phenylacetate Phenylacetate- 0 135.142 135.142 +Isophthalate Isophthalate-2 0 164.117 164.117 +Diethylamine Diethylamine 1 73.138 73.138 +Butylamine Butylamine 1 73.138 73.138 +Methylamine Methylamine 1 31.057 31.057 +Dimethylamine Dimethylamine 1 45.084 45.084 +Hexylamine Hexylamine 1 101.192 101.192 +Ethylenediamine Ethylenediamine 2 60.099 60.099 +Propylamine Propylamine 1 59.111 59.111 +Isopropylamine Isopropylamine 1 59.111 59.111 +Trimethylamine Trimethylamine 1 59.111 59.111 +Citrate Citrate-3 2 189.102 189.102 +Nta Nta-3 1 188.117 188.117 +Edta Edta-4 2 288.214 288.214 +Propionate Propionate- 1 73.072 73.072 +Butyrate Butyrate- 1 87.098 87.098 +Isobutyrate Isobutyrate- 1 87.098 87.098 +Two_picoline Two_picoline 1 93.128 93.128 +Three_picoline Three_picoline 1 93.128 93.128 +Four_picoline Four_picoline 1 93.128 93.128 +Formate Formate- 0 45.018 45.018 +Isovalerate Isovalerate- 1 101.125 101.125 +Valerate Valerate- 1 101.125 101.125 +Acetate Acetate- 1 59.045 59.045 +Tartarate Tartarate-2 0 148.072 148.072 +Glycine Glycine- 1 74.059 74.059 +Salicylate Salicylate-2 1 136.107 136.107 +Glutamate Glutamate-2 1 145.115 145.115 +Phthalate Phthalate-2 1 164.117 164.117 SOLUTION_SPECIES e- = e- log_k 0 @@ -143,7 +147,7 @@ Br- = Br- log_k 0 CO3-2 = CO3-2 log_k 0 -Cyanide- = Cyanide- +Cyanide- = Cyanide- log_k 0 Dom_a = Dom_a log_k 0 @@ -275,12933 +279,12933 @@ Phthalate-2 = Phthalate-2 log_k 0 SOLUTION_SPECIES Fe+3 + e- = Fe+2 - log_k 13.032 - delta_h -42.7 kJ - -gamma 0 0 + log_k 13.032 + delta_h -42.7 kJ + -gamma 0 0 # Id: 2802810 - # log K source: Bard85 - # Delta H source: Bard85 - #T and ionic strength: -H3AsO4 + 2e- + 2H+ = H3AsO3 + H2O - log_k 18.898 - delta_h -125.6 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: Bard85 + #T and ionic strength: +H3AsO4 + 2 e- + 2 H+ = H3AsO3 + H2O + log_k 18.898 + delta_h -125.6 kJ + -gamma 0 0 # Id: 600610 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -Sb(OH)6- + 2e- + 3H+ = Sb(OH)3 + 3H2O - log_k 24.31 - delta_h 0 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +Sb(OH)6- + 2 e- + 3 H+ = Sb(OH)3 + 3 H2O + log_k 24.31 + delta_h 0 kJ + -gamma 0 0 # Id: 7407410 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -UO2+2 + 3e- + 4H+ = U+3 + 2H2O - log_k 0.42 - delta_h -42 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +UO2+2 + 3 e- + 4 H+ = U+3 + 2 H2O + log_k 0.42 + delta_h -42 kJ + -gamma 0 0 # Id: 8908930 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -UO2+2 + 2e- + 4H+ = U+4 + 2H2O - log_k 9.216 - delta_h -144.1 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +UO2+2 + 2 e- + 4 H+ = U+4 + 2 H2O + log_k 9.216 + delta_h -144.1 kJ + -gamma 0 0 # Id: 8918930 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: UO2+2 + e- = UO2+ - log_k 2.785 - delta_h -13.8 kJ - -gamma 0 0 + log_k 2.785 + delta_h -13.8 kJ + -gamma 0 0 # Id: 8928930 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: e- + Mn+3 = Mn+2 - log_k 25.35 - delta_h -107.8 kJ - -gamma 0 0 + log_k 25.35 + delta_h -107.8 kJ + -gamma 0 0 # Id: 4704710 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: Co+3 + e- = Co+2 - log_k 32.4 - delta_h 0 kJ - -gamma 0 0 + log_k 32.4 + delta_h 0 kJ + -gamma 0 0 # Id: 2002010 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: Cu+2 + e- = Cu+ - log_k 2.69 - delta_h 6.9 kJ - -gamma 0 0 + log_k 2.69 + delta_h 6.9 kJ + -gamma 0 0 # Id: 2302310 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: V+3 + e- = V+2 - log_k -4.31 - delta_h 0 kJ - -gamma 0 0 + log_k -4.31 + delta_h 0 kJ + -gamma 0 0 # Id: 9009010 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -VO+2 + e- + 2H+ = V+3 + H2O - log_k 5.696 - delta_h 0 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +VO+2 + e- + 2 H+ = V+3 + H2O + log_k 5.696 + delta_h 0 kJ + -gamma 0 0 # Id: 9019020 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -VO2+ + e- + 2H+ = VO+2 + H2O - log_k 16.903 - delta_h -122.7 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +VO2+ + e- + 2 H+ = VO+2 + H2O + log_k 16.903 + delta_h -122.7 kJ + -gamma 0 0 # Id: 9029030 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -SO4-2 + 9H+ + 8e- = HS- + 4H2O - log_k 33.66 - delta_h -60.14 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O + log_k 33.66 + delta_h -60.14 kJ + -gamma 0 0 # Id: 7307320 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Sn(OH)6-2 + 2e- + 4H+ = Sn(OH)2 + 4H2O - log_k 19.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Sn(OH)6-2 + 2 e- + 4 H+ = Sn(OH)2 + 4 H2O + log_k 19.2 + delta_h 0 kJ + -gamma 0 0 # Id: 7907910 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -Tl(OH)3 + 2e- + 3H+ = Tl+ + 3H2O - log_k 45.55 - delta_h 0 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +Tl(OH)3 + 2 e- + 3 H+ = Tl+ + 3 H2O + log_k 45.55 + delta_h 0 kJ + -gamma 0 0 # Id: 8708710 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -HSeO3- + 6e- + 6H+ = HSe- + 3H2O - log_k 44.86 - delta_h 0 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +HSeO3- + 6 e- + 6 H+ = HSe- + 3 H2O + log_k 44.86 + delta_h 0 kJ + -gamma 0 0 # Id: 7607610 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -SeO4-2 + 2e- + 3H+ = HSeO3- + H2O - log_k 36.308 - delta_h -201.2 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +SeO4-2 + 2 e- + 3 H+ = HSeO3- + H2O + log_k 36.308 + delta_h -201.2 kJ + -gamma 0 0 # Id: 7617620 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -0.5Hg2+2 + e- = Hg - log_k 6.5667 - delta_h -45.735 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +0.5 Hg2+2 + e- = Hg + log_k 6.5667 + delta_h -45.735 kJ + -gamma 0 0 # Id: 3600000 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: -2Hg(OH)2 + 4H+ + 2e- = Hg2+2 + 4H2O - log_k 43.185 - delta_h -63.59 kJ - -gamma 0 0 +2 Hg(OH)2 + 4 H+ + 2 e- = Hg2+2 + 4 H2O + log_k 43.185 + delta_h -63.59 kJ + -gamma 0 0 # Id: 3603610 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -Cr(OH)2+ + 2H+ + e- = Cr+2 + 2H2O - log_k 2.947 - delta_h 6.36 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +Cr(OH)2+ + 2 H+ + e- = Cr+2 + 2 H2O + log_k 2.947 + delta_h 6.36 kJ + -gamma 0 0 # Id: 2102110 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -CrO4-2 + 6H+ + 3e- = Cr(OH)2+ + 2H2O - log_k 67.376 - delta_h -103 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +CrO4-2 + 6 H+ + 3 e- = Cr(OH)2+ + 2 H2O + log_k 67.376 + delta_h -103 kJ + -gamma 0 0 # Id: 2112120 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: -2H2O = O2 + 4H+ + 4e- +2 H2O = O2 + 4 H+ + 4 e- # Adjusted for equation to aqueous species - log_k -85.9951 - -analytic 38.0229 7.99407E-03 -2.7655e+004 -1.4506e+001 199838.45 + log_k -85.9951 + -analytic 38.0229 7.99407E-3 -2.7655e+4 -1.4506e+1 199838.45 2 H+ + 2 e- = H2 - log_k -3.15 + log_k -3.15 delta_h -1.759 kcal NO3- + 2 H+ + 2 e- = NO2- + H2O - log_k 28.570 - delta_h -43.760 kcal - -gamma 3.0000 0.0000 + log_k 28.57 + delta_h -43.76 kcal + -gamma 3 0 NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O - log_k 119.077 - delta_h -187.055 kcal - -gamma 2.5000 0.0000 + log_k 119.077 + delta_h -187.055 kcal + -gamma 2.5 0 -Mn+2 + 4H2O = MnO4- + 8H+ + 5e- - log_k -127.794 - delta_h 822.67 kJ - -gamma 3 0 +Mn+2 + 4 H2O = MnO4- + 8 H+ + 5 e- + log_k -127.794 + delta_h 822.67 kJ + -gamma 3 0 # Id: 4700020 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e- - log_k -118.422 - delta_h 711.07 kJ - -gamma 5 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Mn+2 + 4 H2O = MnO4-2 + 8 H+ + 4 e- + log_k -118.422 + delta_h 711.07 kJ + -gamma 5 0 # Id: 4700021 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: HS- = S-2 + H+ - log_k -17.3 - delta_h 49.4 kJ - -gamma 5 0 + log_k -17.3 + delta_h 49.4 kJ + -gamma 5 0 # Id: 3307301 - # log K source: LMa1987 - # Delta H source: NIST2.1.1 + # log K source: LMa1987 + # Delta H source: NIST2.1.1 #T and ionic strength: 0.00 25.0 HSe- = Se-2 + H+ - log_k -15 - delta_h 48.116 kJ - -gamma 0 0 + log_k -15 + delta_h 48.116 kJ + -gamma 0 0 # Id: 3307601 - # log K source: SCD3.02 (1968 DKa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1968 DKa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Tl(OH)3 + 3H+ = Tl+3 + 3H2O - log_k 3.291 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + 3 H+ = Tl+3 + 3 H2O + log_k 3.291 + delta_h 0 kJ + -gamma 0 0 # Id: 8713300 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -0.5Hg2+2 + e- = Hg - log_k 6.5667 - delta_h -45.735 kJ - -gamma 0 0 +0.5 Hg2+2 + e- = Hg + log_k 6.5667 + delta_h -45.735 kJ + -gamma 0 0 # Id: 3600000 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Hg(OH)2 + 2H+ = Hg+2 + 2H2O - log_k 6.194 - delta_h -39.72 kJ - -gamma 0 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Hg(OH)2 + 2 H+ = Hg+2 + 2 H2O + log_k 6.194 + delta_h -39.72 kJ + -gamma 0 0 # Id: 3613300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cr(OH)2+ + 2H+ = Cr+3 + 2H2O - log_k 9.5688 - delta_h -129.62 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ = Cr+3 + 2 H2O + log_k 9.5688 + delta_h -129.62 kJ + -gamma 0 0 # Id: 2113300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.10 20.0 H2O = OH- + H+ - log_k -13.997 - delta_h 55.81 kJ - -gamma 3.5 0 + log_k -13.997 + delta_h 55.81 kJ + -gamma 3.5 0 # Id: 3300020 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Sn(OH)2 + 2H+ = Sn+2 + 2H2O - log_k 7.094 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ = Sn+2 + 2 H2O + log_k 7.094 + delta_h 0 kJ + -gamma 0 0 # Id: 7903301 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Sn(OH)2 + H+ = SnOH+ + H2O - log_k 3.697 - delta_h 0 kJ - -gamma 0 0 + log_k 3.697 + delta_h 0 kJ + -gamma 0 0 # Id: 7903302 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Sn(OH)2 + H2O = Sn(OH)3- + H+ - log_k -9.497 - delta_h 0 kJ - -gamma 0 0 + log_k -9.497 + delta_h 0 kJ + -gamma 0 0 # Id: 7903303 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -2Sn(OH)2 + 2H+ = Sn2(OH)2+2 + 2H2O - log_k 9.394 - delta_h 0 kJ - -gamma 0 0 +2 Sn(OH)2 + 2 H+ = Sn2(OH)2+2 + 2 H2O + log_k 9.394 + delta_h 0 kJ + -gamma 0 0 # Id: 7903304 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -3Sn(OH)2 + 2H+ = Sn3(OH)4+2 + 2H2O - log_k 14.394 - delta_h 0 kJ - -gamma 0 0 +3 Sn(OH)2 + 2 H+ = Sn3(OH)4+2 + 2 H2O + log_k 14.394 + delta_h 0 kJ + -gamma 0 0 # Id: 7903305 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Sn(OH)2 = HSnO2- + H+ - log_k -8.9347 - delta_h 0 kJ - -gamma 0 0 + log_k -8.9347 + delta_h 0 kJ + -gamma 0 0 # Id: 7903306 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -Sn(OH)6-2 + 6H+ = Sn+4 + 6H2O - log_k 21.2194 - delta_h 0 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +Sn(OH)6-2 + 6 H+ = Sn+4 + 6 H2O + log_k 21.2194 + delta_h 0 kJ + -gamma 0 0 # Id: 7913301 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: -Sn(OH)6-2 = SnO3-2 + 3H2O - log_k -2.2099 - delta_h 0 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: +Sn(OH)6-2 = SnO3-2 + 3 H2O + log_k -2.2099 + delta_h 0 kJ + -gamma 0 0 # Id: 7913302 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: Pb+2 + H2O = PbOH+ + H+ - log_k -7.597 - delta_h 0 kJ - -gamma 0 0 + log_k -7.597 + delta_h 0 kJ + -gamma 0 0 # Id: 6003300 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Pb+2 + 2H2O = Pb(OH)2 + 2H+ - log_k -17.094 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 2 H2O = Pb(OH)2 + 2 H+ + log_k -17.094 + delta_h 0 kJ + -gamma 0 0 # Id: 6003301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Pb+2 + 3H2O = Pb(OH)3- + 3H+ - log_k -28.091 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 3 H2O = Pb(OH)3- + 3 H+ + log_k -28.091 + delta_h 0 kJ + -gamma 0 0 # Id: 6003302 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -2Pb+2 + H2O = Pb2OH+3 + H+ - log_k -6.397 - delta_h 0 kJ - -gamma 0 0 +2 Pb+2 + H2O = Pb2OH+3 + H+ + log_k -6.397 + delta_h 0 kJ + -gamma 0 0 # Id: 6003303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+ - log_k -23.888 - delta_h 115.24 kJ - -gamma 0 0 +3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+ + log_k -23.888 + delta_h 115.24 kJ + -gamma 0 0 # Id: 6003304 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Pb+2 + 4H2O = Pb(OH)4-2 + 4H+ - log_k -39.699 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+ + log_k -39.699 + delta_h 0 kJ + -gamma 0 0 # Id: 6003305 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -4Pb+2 + 4H2O = Pb4(OH)4+4 + 4H+ - log_k -19.988 - delta_h 88.24 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +4 Pb+2 + 4 H2O = Pb4(OH)4+4 + 4 H+ + log_k -19.988 + delta_h 88.24 kJ + -gamma 0 0 # Id: 6003306 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 H3BO3 + F- = BF(OH)3- - log_k -0.399 - delta_h 7.7404 kJ - -gamma 2.5 0 + log_k -0.399 + delta_h 7.7404 kJ + -gamma 2.5 0 # Id: 902700 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -H3BO3 + 2F- + H+ = BF2(OH)2- + H2O - log_k 7.63 - delta_h 6.8408 kJ - -gamma 2.5 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O + log_k 7.63 + delta_h 6.8408 kJ + -gamma 2.5 0 # Id: 902701 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -H3BO3 + 3F- + 2H+ = BF3OH- + 2H2O - log_k 13.22 - delta_h -20.4897 kJ - -gamma 2.5 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +H3BO3 + 3 F- + 2 H+ = BF3OH- + 2 H2O + log_k 13.22 + delta_h -20.4897 kJ + -gamma 2.5 0 # Id: 902702 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: Al+3 + H2O = AlOH+2 + H+ - log_k -4.997 - delta_h 47.81 kJ - -gamma 5.4 0 + log_k -4.997 + delta_h 47.81 kJ + -gamma 5.4 0 # Id: 303300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Al+3 + 2H2O = Al(OH)2+ + 2H+ - log_k -10.094 - delta_h 0 kJ - -gamma 5.4 0 +Al+3 + 2 H2O = Al(OH)2+ + 2 H+ + log_k -10.094 + delta_h 0 kJ + -gamma 5.4 0 # Id: 303301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Al+3 + 3H2O = Al(OH)3 + 3H+ - log_k -16.791 - delta_h 0 kJ - -gamma 0 0 +Al+3 + 3 H2O = Al(OH)3 + 3 H+ + log_k -16.791 + delta_h 0 kJ + -gamma 0 0 # Id: 303303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Al+3 + 4H2O = Al(OH)4- + 4H+ - log_k -22.688 - delta_h 173.24 kJ - -gamma 4.5 0 +Al+3 + 4 H2O = Al(OH)4- + 4 H+ + log_k -22.688 + delta_h 173.24 kJ + -gamma 4.5 0 # Id: 303302 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Tl+ + H2O = TlOH + H+ - log_k -13.207 - delta_h 56.81 kJ - -gamma 0 0 + log_k -13.207 + delta_h 56.81 kJ + -gamma 0 0 # Id: 8703300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Tl(OH)3 + 2H+ = TlOH+2 + 2H2O - log_k 2.694 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + 2 H+ = TlOH+2 + 2 H2O + log_k 2.694 + delta_h 0 kJ + -gamma 0 0 # Id: 8713301 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Tl(OH)3 + H+ = Tl(OH)2+ + H2O - log_k 1.897 - delta_h 0 kJ - -gamma 0 0 + log_k 1.897 + delta_h 0 kJ + -gamma 0 0 # Id: 8713302 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Tl(OH)3 + H2O = Tl(OH)4- + H+ - log_k -11.697 - delta_h 0 kJ - -gamma 0 0 + log_k -11.697 + delta_h 0 kJ + -gamma 0 0 # Id: 8713303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Zn+2 + H2O = ZnOH+ + H+ - log_k -8.997 - delta_h 55.81 kJ - -gamma 0 0 + log_k -8.997 + delta_h 55.81 kJ + -gamma 0 0 # Id: 9503300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Zn+2 + 2H2O = Zn(OH)2 + 2H+ - log_k -17.794 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 2 H2O = Zn(OH)2 + 2 H+ + log_k -17.794 + delta_h 0 kJ + -gamma 0 0 # Id: 9503301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Zn+2 + 3H2O = Zn(OH)3- + 3H+ - log_k -28.091 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 3 H2O = Zn(OH)3- + 3 H+ + log_k -28.091 + delta_h 0 kJ + -gamma 0 0 # Id: 9503302 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Zn+2 + 4H2O = Zn(OH)4-2 + 4H+ - log_k -40.488 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+ + log_k -40.488 + delta_h 0 kJ + -gamma 0 0 # Id: 9503303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Cd+2 + H2O = CdOH+ + H+ - log_k -10.097 - delta_h 54.81 kJ - -gamma 0 0 + log_k -10.097 + delta_h 54.81 kJ + -gamma 0 0 # Id: 1603300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cd+2 + 2H2O = Cd(OH)2 + 2H+ - log_k -20.294 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 2 H2O = Cd(OH)2 + 2 H+ + log_k -20.294 + delta_h 0 kJ + -gamma 0 0 # Id: 1603301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cd+2 + 3H2O = Cd(OH)3- + 3H+ - log_k -32.505 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 3 H2O = Cd(OH)3- + 3 H+ + log_k -32.505 + delta_h 0 kJ + -gamma 0 0 # Id: 1603302 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 3.00 25.0 -Cd+2 + 4H2O = Cd(OH)4-2 + 4H+ - log_k -47.288 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+ + log_k -47.288 + delta_h 0 kJ + -gamma 0 0 # Id: 1603303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -2Cd+2 + H2O = Cd2OH+3 + H+ - log_k -9.397 - delta_h 45.81 kJ - -gamma 0 0 +2 Cd+2 + H2O = Cd2OH+3 + H+ + log_k -9.397 + delta_h 45.81 kJ + -gamma 0 0 # Id: 1603304 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Hg(OH)2 + H+ = HgOH+ + H2O - log_k 2.797 - delta_h -18.91 kJ - -gamma 0 0 + log_k 2.797 + delta_h -18.91 kJ + -gamma 0 0 # Id: 3613302 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Hg(OH)2 + H2O = Hg(OH)3- + H+ - log_k -14.897 - delta_h 0 kJ - -gamma 0 0 + log_k -14.897 + delta_h 0 kJ + -gamma 0 0 # Id: 3613303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Cu+2 + H2O = CuOH+ + H+ - log_k -7.497 - delta_h 35.81 kJ - -gamma 4 0 + log_k -7.497 + delta_h 35.81 kJ + -gamma 4 0 # Id: 2313300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cu+2 + 2H2O = Cu(OH)2 + 2H+ - log_k -16.194 - delta_h 0 kJ - -gamma 0 0 +Cu+2 + 2 H2O = Cu(OH)2 + 2 H+ + log_k -16.194 + delta_h 0 kJ + -gamma 0 0 # Id: 2313301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cu+2 + 3H2O = Cu(OH)3- + 3H+ - log_k -26.879 - delta_h 0 kJ - -gamma 0 0 +Cu+2 + 3 H2O = Cu(OH)3- + 3 H+ + log_k -26.879 + delta_h 0 kJ + -gamma 0 0 # Id: 2313302 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Cu+2 + 4H2O = Cu(OH)4-2 + 4H+ - log_k -39.98 - delta_h 0 kJ - -gamma 0 0 +Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+ + log_k -39.98 + delta_h 0 kJ + -gamma 0 0 # Id: 2313303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+ - log_k -10.594 - delta_h 76.62 kJ - -gamma 0 0 +2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+ + log_k -10.594 + delta_h 76.62 kJ + -gamma 0 0 # Id: 2313304 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ag+ + H2O = AgOH + H+ - log_k -11.997 - delta_h 0 kJ - -gamma 0 0 + log_k -11.997 + delta_h 0 kJ + -gamma 0 0 # Id: 203300 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Ag+ + 2H2O = Ag(OH)2- + 2H+ - log_k -24.004 - delta_h 0 kJ - -gamma 0 0 +Ag+ + 2 H2O = Ag(OH)2- + 2 H+ + log_k -24.004 + delta_h 0 kJ + -gamma 0 0 # Id: 203301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Ni+2 + H2O = NiOH+ + H+ - log_k -9.897 - delta_h 51.81 kJ - -gamma 0 0 + log_k -9.897 + delta_h 51.81 kJ + -gamma 0 0 # Id: 5403300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Ni+2 + 2H2O = Ni(OH)2 + 2H+ - log_k -18.994 - delta_h 0 kJ - -gamma 0 0 +Ni+2 + 2 H2O = Ni(OH)2 + 2 H+ + log_k -18.994 + delta_h 0 kJ + -gamma 0 0 # Id: 5403301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Ni+2 + 3H2O = Ni(OH)3- + 3H+ - log_k -29.991 - delta_h 0 kJ - -gamma 0 0 +Ni+2 + 3 H2O = Ni(OH)3- + 3 H+ + log_k -29.991 + delta_h 0 kJ + -gamma 0 0 # Id: 5403302 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Co+2 + H2O = CoOH+ + H+ - log_k -9.697 - delta_h 0 kJ - -gamma 0 0 + log_k -9.697 + delta_h 0 kJ + -gamma 0 0 # Id: 2003300 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Co+2 + 2H2O = Co(OH)2 + 2H+ - log_k -18.794 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 H2O = Co(OH)2 + 2 H+ + log_k -18.794 + delta_h 0 kJ + -gamma 0 0 # Id: 2003301 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Co+2 + 3H2O = Co(OH)3- + 3H+ - log_k -31.491 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 3 H2O = Co(OH)3- + 3 H+ + log_k -31.491 + delta_h 0 kJ + -gamma 0 0 # Id: 2003302 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Co+2 + 4H2O = Co(OH)4-2 + 4H+ - log_k -46.288 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 4 H2O = Co(OH)4-2 + 4 H+ + log_k -46.288 + delta_h 0 kJ + -gamma 0 0 # Id: 2003303 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -2Co+2 + H2O = Co2OH+3 + H+ - log_k -10.997 - delta_h 0 kJ - -gamma 0 0 +2 Co+2 + H2O = Co2OH+3 + H+ + log_k -10.997 + delta_h 0 kJ + -gamma 0 0 # Id: 2003304 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -4Co+2 + 4H2O = Co4(OH)4+4 + 4H+ - log_k -30.488 - delta_h 0 kJ - -gamma 0 0 +4 Co+2 + 4 H2O = Co4(OH)4+4 + 4 H+ + log_k -30.488 + delta_h 0 kJ + -gamma 0 0 # Id: 2003306 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Co+2 + 2H2O = CoOOH- + 3H+ - log_k -32.0915 - delta_h 260.454 kJ - -gamma 0 0 +Co+2 + 2 H2O = CoOOH- + 3 H+ + log_k -32.0915 + delta_h 260.454 kJ + -gamma 0 0 # Id: 2003305 - # log K source: NIST2.1.1 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: MTQ3.11 + #T and ionic strength: Co+3 + H2O = CoOH+2 + H+ - log_k -1.291 - delta_h 0 kJ - -gamma 0 0 + log_k -1.291 + delta_h 0 kJ + -gamma 0 0 # Id: 2013300 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 3.00 25.0 Fe+2 + H2O = FeOH+ + H+ - log_k -9.397 - delta_h 55.81 kJ - -gamma 5 0 + log_k -9.397 + delta_h 55.81 kJ + -gamma 5 0 # Id: 2803300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Fe+2 + 2H2O = Fe(OH)2 + 2H+ - log_k -20.494 - delta_h 119.62 kJ - -gamma 0 0 +Fe+2 + 2 H2O = Fe(OH)2 + 2 H+ + log_k -20.494 + delta_h 119.62 kJ + -gamma 0 0 # Id: 2803302 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Fe+2 + 3H2O = Fe(OH)3- + 3H+ - log_k -28.991 - delta_h 126.43 kJ - -gamma 5 0 +Fe+2 + 3 H2O = Fe(OH)3- + 3 H+ + log_k -28.991 + delta_h 126.43 kJ + -gamma 5 0 # Id: 2803301 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Fe+3 + H2O = FeOH+2 + H+ - log_k -2.187 - delta_h 41.81 kJ - -gamma 5 0 + log_k -2.187 + delta_h 41.81 kJ + -gamma 5 0 # Id: 2813300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Fe+3 + 2H2O = Fe(OH)2+ + 2H+ - log_k -4.594 - delta_h 0 kJ - -gamma 5.4 0 +Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+ + log_k -4.594 + delta_h 0 kJ + -gamma 5.4 0 # Id: 2813301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Fe+3 + 3H2O = Fe(OH)3 + 3H+ - log_k -12.56 - delta_h 103.8 kJ - -gamma 0 0 +Fe+3 + 3 H2O = Fe(OH)3 + 3 H+ + log_k -12.56 + delta_h 103.8 kJ + -gamma 0 0 # Id: 2813302 - # log K source: Nord90 - # Delta H source: Nord90 + # log K source: Nord90 + # Delta H source: Nord90 #T and ionic strength: 0.00 25.0 -Fe+3 + 4H2O = Fe(OH)4- + 4H+ - log_k -21.588 - delta_h 0 kJ - -gamma 5.4 0 +Fe+3 + 4 H2O = Fe(OH)4- + 4 H+ + log_k -21.588 + delta_h 0 kJ + -gamma 5.4 0 # Id: 2813303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -2Fe+3 + 2H2O = Fe2(OH)2+4 + 2H+ - log_k -2.854 - delta_h 57.62 kJ - -gamma 0 0 +2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+ + log_k -2.854 + delta_h 57.62 kJ + -gamma 0 0 # Id: 2813304 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -3Fe+3 + 4H2O = Fe3(OH)4+5 + 4H+ - log_k -6.288 - delta_h 65.24 kJ - -gamma 0 0 +3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+ + log_k -6.288 + delta_h 65.24 kJ + -gamma 0 0 # Id: 2813305 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Mn+2 + H2O = MnOH+ + H+ - log_k -10.597 - delta_h 55.81 kJ - -gamma 5 0 + log_k -10.597 + delta_h 55.81 kJ + -gamma 5 0 # Id: 4703300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Mn+2 + 3H2O = Mn(OH)3- + 3H+ - log_k -34.8 - delta_h 0 kJ - -gamma 5 0 +Mn+2 + 3 H2O = Mn(OH)3- + 3 H+ + log_k -34.8 + delta_h 0 kJ + -gamma 5 0 # Id: 4703301 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Mn+2 + 4H2O = Mn(OH)4-2 + 4H+ - log_k -48.288 - delta_h 0 kJ - -gamma 5 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Mn+2 + 4 H2O = Mn(OH)4-2 + 4 H+ + log_k -48.288 + delta_h 0 kJ + -gamma 5 0 # Id: 4703302 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Mn+2 + 4H2O = MnO4- + 8H+ + 5e- - log_k -127.794 - delta_h 822.67 kJ - -gamma 3 0 +Mn+2 + 4 H2O = MnO4- + 8 H+ + 5 e- + log_k -127.794 + delta_h 822.67 kJ + -gamma 3 0 # Id: 4700020 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e- - log_k -118.422 - delta_h 711.07 kJ - -gamma 5 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Mn+2 + 4 H2O = MnO4-2 + 8 H+ + 4 e- + log_k -118.422 + delta_h 711.07 kJ + -gamma 5 0 # Id: 4700021 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: Cr(OH)2+ + H+ = Cr(OH)+2 + H2O - log_k 5.9118 - delta_h -77.91 kJ - -gamma 0 0 + log_k 5.9118 + delta_h -77.91 kJ + -gamma 0 0 # Id: 2113301 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Cr(OH)2+ + H2O = Cr(OH)3 + H+ - log_k -8.4222 - delta_h 0 kJ - -gamma 0 0 + log_k -8.4222 + delta_h 0 kJ + -gamma 0 0 # Id: 2113302 - # log K source: SCD3.02 (1983 RCa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1983 RCa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cr(OH)2+ + 2H2O = Cr(OH)4- + 2H+ - log_k -17.8192 - delta_h 0 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H2O = Cr(OH)4- + 2 H+ + log_k -17.8192 + delta_h 0 kJ + -gamma 0 0 # Id: 2113303 - # log K source: SCD3.02 (1983 RCa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1983 RCa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cr(OH)2+ = CrO2- + 2H+ - log_k -17.7456 - delta_h 0 kJ - -gamma 0 0 +Cr(OH)2+ = CrO2- + 2 H+ + log_k -17.7456 + delta_h 0 kJ + -gamma 0 0 # Id: 2113304 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: V+2 + H2O = VOH+ + H+ - log_k -6.487 - delta_h 59.81 kJ - -gamma 0 0 + log_k -6.487 + delta_h 59.81 kJ + -gamma 0 0 # Id: 9003300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 V+3 + H2O = VOH+2 + H+ - log_k -2.297 - delta_h 43.81 kJ - -gamma 0 0 + log_k -2.297 + delta_h 43.81 kJ + -gamma 0 0 # Id: 9013300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -V+3 + 2H2O = V(OH)2+ + 2H+ - log_k -6.274 - delta_h 0 kJ - -gamma 0 0 +V+3 + 2 H2O = V(OH)2+ + 2 H+ + log_k -6.274 + delta_h 0 kJ + -gamma 0 0 # Id: 9013301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 -V+3 + 3H2O = V(OH)3 + 3H+ - log_k -3.0843 - delta_h 0 kJ - -gamma 0 0 +V+3 + 3 H2O = V(OH)3 + 3 H+ + log_k -3.0843 + delta_h 0 kJ + -gamma 0 0 # Id: 9013302 - # log K source: SCD3.02 (1978 TKa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1978 TKa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 20.0 -2V+3 + 2H2O = V2(OH)2+4 + 2H+ - log_k -3.794 - delta_h 0 kJ - -gamma 0 0 +2 V+3 + 2 H2O = V2(OH)2+4 + 2 H+ + log_k -3.794 + delta_h 0 kJ + -gamma 0 0 # Id: 9013304 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -2V+3 + 3H2O = V2(OH)3+3 + 3H+ - log_k -10.1191 - delta_h 0 kJ - -gamma 0 0 +2 V+3 + 3 H2O = V2(OH)3+3 + 3 H+ + log_k -10.1191 + delta_h 0 kJ + -gamma 0 0 # Id: 9013303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 3.00 25.0 -VO+2 + 2H2O = V(OH)3+ + H+ - log_k -5.697 - delta_h 0 kJ - -gamma 0 0 +VO+2 + 2 H2O = V(OH)3+ + H+ + log_k -5.697 + delta_h 0 kJ + -gamma 0 0 # Id: 9023300 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -2VO+2 + 2H2O = H2V2O4+2 + 2H+ - log_k -6.694 - delta_h 53.62 kJ - -gamma 0 0 +2 VO+2 + 2 H2O = H2V2O4+2 + 2 H+ + log_k -6.694 + delta_h 53.62 kJ + -gamma 0 0 # Id: 9023301 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 U+4 + H2O = UOH+3 + H+ - log_k -0.597 - delta_h 47.81 kJ - -gamma 0 0 + log_k -0.597 + delta_h 47.81 kJ + -gamma 0 0 # Id: 8913300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -U+4 + 2H2O = U(OH)2+2 + 2H+ - log_k -2.27 - delta_h 74.1823 kJ - -gamma 0 0 +U+4 + 2 H2O = U(OH)2+2 + 2 H+ + log_k -2.27 + delta_h 74.1823 kJ + -gamma 0 0 # Id: 8913301 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -U+4 + 3H2O = U(OH)3+ + 3H+ - log_k -4.935 - delta_h 94.7467 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +U+4 + 3 H2O = U(OH)3+ + 3 H+ + log_k -4.935 + delta_h 94.7467 kJ + -gamma 0 0 # Id: 8913302 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -U+4 + 4H2O = U(OH)4 + 4H+ - log_k -8.498 - delta_h 103.596 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +U+4 + 4 H2O = U(OH)4 + 4 H+ + log_k -8.498 + delta_h 103.596 kJ + -gamma 0 0 # Id: 8913303 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -U+4 + 5H2O = U(OH)5- + 5H+ - log_k -13.12 - delta_h 115.374 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +U+4 + 5 H2O = U(OH)5- + 5 H+ + log_k -13.12 + delta_h 115.374 kJ + -gamma 0 0 # Id: 8913304 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -6U+4 + 15H2O = U6(OH)15+9 + 15H+ - log_k -17.155 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +6 U+4 + 15 H2O = U6(OH)15+9 + 15 H+ + log_k -17.155 + delta_h 0 kJ + -gamma 0 0 # Id: 8913305 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 UO2+2 + H2O = UO2OH+ + H+ - log_k -5.897 - delta_h 47.81 kJ - -gamma 0 0 + log_k -5.897 + delta_h 47.81 kJ + -gamma 0 0 # Id: 8933300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+ - log_k -5.574 - delta_h 41.82 kJ - -gamma 0 0 +2 UO2+2 + 2 H2O = (UO2)2(OH)2+2 + 2 H+ + log_k -5.574 + delta_h 41.82 kJ + -gamma 0 0 # Id: 8933301 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+ - log_k -15.585 - delta_h 108.05 kJ - -gamma 0 0 +3 UO2+2 + 5 H2O = (UO2)3(OH)5+ + 5 H+ + log_k -15.585 + delta_h 108.05 kJ + -gamma 0 0 # Id: 8933302 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Be+2 + H2O = BeOH+ + H+ - log_k -5.397 - delta_h 0 kJ - -gamma 6.5 0 + log_k -5.397 + delta_h 0 kJ + -gamma 6.5 0 # Id: 1103301 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Be+2 + 2H2O = Be(OH)2 + 2H+ - log_k -13.594 - delta_h 0 kJ - -gamma 6.5 0 +Be+2 + 2 H2O = Be(OH)2 + 2 H+ + log_k -13.594 + delta_h 0 kJ + -gamma 6.5 0 # Id: 1103302 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Be+2 + 3H2O = Be(OH)3- + 3H+ - log_k -23.191 - delta_h 0 kJ - -gamma 6.5 0 +Be+2 + 3 H2O = Be(OH)3- + 3 H+ + log_k -23.191 + delta_h 0 kJ + -gamma 6.5 0 # Id: 1103303 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Be+2 + 4H2O = Be(OH)4-2 + 4H+ - log_k -37.388 - delta_h 0 kJ - -gamma 6.5 0 +Be+2 + 4 H2O = Be(OH)4-2 + 4 H+ + log_k -37.388 + delta_h 0 kJ + -gamma 6.5 0 # Id: 1103304 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -2Be+2 + H2O = Be2OH+3 + H+ - log_k -3.177 - delta_h 0 kJ - -gamma 6.5 0 +2 Be+2 + H2O = Be2OH+3 + H+ + log_k -3.177 + delta_h 0 kJ + -gamma 6.5 0 # Id: 1103305 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 -3Be+2 + 3H2O = Be3(OH)3+3 + 3H+ - log_k -8.8076 - delta_h 0 kJ - -gamma 6.5 0 +3 Be+2 + 3 H2O = Be3(OH)3+3 + 3 H+ + log_k -8.8076 + delta_h 0 kJ + -gamma 6.5 0 # Id: 1103306 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 Mg+2 + H2O = MgOH+ + H+ - log_k -11.397 - delta_h 67.81 kJ - -gamma 6.5 0 + log_k -11.397 + delta_h 67.81 kJ + -gamma 6.5 0 # Id: 4603300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ca+2 + H2O = CaOH+ + H+ - log_k -12.697 - delta_h 64.11 kJ - -gamma 6 0 + log_k -12.697 + delta_h 64.11 kJ + -gamma 6 0 # Id: 1503300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Sr+2 + H2O = SrOH+ + H+ - log_k -13.177 - delta_h 60.81 kJ - -gamma 5 0 + log_k -13.177 + delta_h 60.81 kJ + -gamma 5 0 # Id: 8003300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ba+2 + H2O = BaOH+ + H+ - log_k -13.357 - delta_h 60.81 kJ - -gamma 5 0 + log_k -13.357 + delta_h 60.81 kJ + -gamma 5 0 # Id: 1003300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 H+ + F- = HF - log_k 3.17 - delta_h 13.3 kJ - -gamma 0 0 + log_k 3.17 + delta_h 13.3 kJ + -gamma 0 0 # Id: 3302700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -H+ + 2F- = HF2- - log_k 3.75 - delta_h 17.4 kJ - -gamma 3.5 0 +H+ + 2 F- = HF2- + log_k 3.75 + delta_h 17.4 kJ + -gamma 3.5 0 # Id: 3302701 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -2F- + 2H+ = H2F2 - log_k 6.768 - delta_h 0 kJ - -gamma 0 0 +2 F- + 2 H+ = H2F2 + log_k 6.768 + delta_h 0 kJ + -gamma 0 0 # Id: 3302702 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Sb(OH)3 + F- + H+ = SbOF + 2H2O - log_k 6.1864 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Sb(OH)3 + F- + H+ = SbOF + 2 H2O + log_k 6.1864 + delta_h 0 kJ + -gamma 0 0 # Id: 7402700 - # log K source: PNL89 - # Delta H source: PNL89 - #T and ionic strength: + # log K source: PNL89 + # Delta H source: PNL89 + #T and ionic strength: Sb(OH)3 + F- + H+ = Sb(OH)2F + H2O - log_k 6.1937 - delta_h 0 kJ - -gamma 0 0 + log_k 6.1937 + delta_h 0 kJ + -gamma 0 0 # Id: 7402702 - # log K source: PNL89 - # Delta H source: PNL89 - #T and ionic strength: -H4SiO4 + 4H+ + 6F- = SiF6-2 + 4H2O - log_k 30.18 - delta_h -68 kJ - -gamma 5 0 + # log K source: PNL89 + # Delta H source: PNL89 + #T and ionic strength: +H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O + log_k 30.18 + delta_h -68 kJ + -gamma 5 0 # Id: 7702700 - # log K source: Nord90 - # Delta H source: Nord90 + # log K source: Nord90 + # Delta H source: Nord90 #T and ionic strength: 0.00 25.0 -Sn(OH)2 + 2H+ + F- = SnF+ + 2H2O - log_k 11.582 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + F- = SnF+ + 2 H2O + log_k 11.582 + delta_h 0 kJ + -gamma 0 0 # Id: 7902701 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Sn(OH)2 + 2H+ + 2F- = SnF2 + 2H2O - log_k 14.386 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + 2 F- = SnF2 + 2 H2O + log_k 14.386 + delta_h 0 kJ + -gamma 0 0 # Id: 7902702 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Sn(OH)2 + 2H+ + 3F- = SnF3- + 2H2O - log_k 17.206 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + 3 F- = SnF3- + 2 H2O + log_k 17.206 + delta_h 0 kJ + -gamma 0 0 # Id: 7902703 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Sn(OH)6-2 + 6H+ + 6F- = SnF6-2 + 6H2O - log_k 33.5844 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)6-2 + 6 H+ + 6 F- = SnF6-2 + 6 H2O + log_k 33.5844 + delta_h 0 kJ + -gamma 0 0 # Id: 7912701 - # log K source: Bard85 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: Bard85 + # Delta H source: MTQ3.11 + #T and ionic strength: Pb+2 + F- = PbF+ - log_k 1.848 - delta_h 0 kJ - -gamma 0 0 + log_k 1.848 + delta_h 0 kJ + -gamma 0 0 # Id: 6002700 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Pb+2 + 2F- = PbF2 - log_k 3.142 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 2 F- = PbF2 + log_k 3.142 + delta_h 0 kJ + -gamma 0 0 # Id: 6002701 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Pb+2 + 3F- = PbF3- - log_k 3.42 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 3 F- = PbF3- + log_k 3.42 + delta_h 0 kJ + -gamma 0 0 # Id: 6002702 - # log K source: SCD3.02 (1956 TKa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1956 TKa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Pb+2 + 4F- = PbF4-2 - log_k 3.1 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 4 F- = PbF4-2 + log_k 3.1 + delta_h 0 kJ + -gamma 0 0 # Id: 6002703 - # log K source: SCD3.02 (1956 TKa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1956 TKa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -H3BO3 + 3H+ + 4F- = BF4- + 3H2O - log_k 19.912 - delta_h -18.67 kJ - -gamma 2.5 0 +H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O + log_k 19.912 + delta_h -18.67 kJ + -gamma 2.5 0 # Id: 902703 - # log K source: NIST46.3 - # Delta H source: NIST2.1.1 + # log K source: NIST46.3 + # Delta H source: NIST2.1.1 #T and ionic strength: 1.00 25.0 Al+3 + F- = AlF+2 - log_k 7 - delta_h 4.6 kJ - -gamma 5.4 0 + log_k 7 + delta_h 4.6 kJ + -gamma 5.4 0 # Id: 302700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Al+3 + 2F- = AlF2+ - log_k 12.6 - delta_h 8.3 kJ - -gamma 5.4 0 +Al+3 + 2 F- = AlF2+ + log_k 12.6 + delta_h 8.3 kJ + -gamma 5.4 0 # Id: 302701 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Al+3 + 3F- = AlF3 - log_k 16.7 - delta_h 8.7 kJ - -gamma 0 0 +Al+3 + 3 F- = AlF3 + log_k 16.7 + delta_h 8.7 kJ + -gamma 0 0 # Id: 302702 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Al+3 + 4F- = AlF4- - log_k 19.4 - delta_h 8.7 kJ - -gamma 4.5 0 +Al+3 + 4 F- = AlF4- + log_k 19.4 + delta_h 8.7 kJ + -gamma 4.5 0 # Id: 302703 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Tl+ + F- = TlF - log_k 0.1 - delta_h 0 kJ - -gamma 0 0 + log_k 0.1 + delta_h 0 kJ + -gamma 0 0 # Id: 8702700 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Zn+2 + F- = ZnF+ - log_k 1.3 - delta_h 11 kJ - -gamma 0 0 + log_k 1.3 + delta_h 11 kJ + -gamma 0 0 # Id: 9502700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Cd+2 + F- = CdF+ - log_k 1.2 - delta_h 5 kJ - -gamma 0 0 + log_k 1.2 + delta_h 5 kJ + -gamma 0 0 # Id: 1602700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cd+2 + 2F- = CdF2 - log_k 1.5 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 2 F- = CdF2 + log_k 1.5 + delta_h 0 kJ + -gamma 0 0 # Id: 1602701 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Hg(OH)2 + 2H+ + F- = HgF+ + 2H2O - log_k 7.763 - delta_h -35.72 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Hg(OH)2 + 2 H+ + F- = HgF+ + 2 H2O + log_k 7.763 + delta_h -35.72 kJ + -gamma 0 0 # Id: 3612701 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.50 25.0 Cu+2 + F- = CuF+ - log_k 1.8 - delta_h 13 kJ - -gamma 0 0 + log_k 1.8 + delta_h 13 kJ + -gamma 0 0 # Id: 2312700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ag+ + F- = AgF - log_k 0.4 - delta_h 12 kJ - -gamma 0 0 + log_k 0.4 + delta_h 12 kJ + -gamma 0 0 # Id: 202700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ni+2 + F- = NiF+ - log_k 1.4 - delta_h 7.1 kJ - -gamma 0 0 + log_k 1.4 + delta_h 7.1 kJ + -gamma 0 0 # Id: 5402700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Co+2 + F- = CoF+ - log_k 1.5 - delta_h 9.2 kJ - -gamma 0 0 + log_k 1.5 + delta_h 9.2 kJ + -gamma 0 0 # Id: 2002700 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Fe+3 + F- = FeF+2 - log_k 6.04 - delta_h 10 kJ - -gamma 5 0 + log_k 6.04 + delta_h 10 kJ + -gamma 5 0 # Id: 2812700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Fe+3 + 2F- = FeF2+ - log_k 10.4675 - delta_h 17 kJ - -gamma 5 0 +Fe+3 + 2 F- = FeF2+ + log_k 10.4675 + delta_h 17 kJ + -gamma 5 0 # Id: 2812701 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.50 25.0 -Fe+3 + 3F- = FeF3 - log_k 13.617 - delta_h 29 kJ - -gamma 0 0 +Fe+3 + 3 F- = FeF3 + log_k 13.617 + delta_h 29 kJ + -gamma 0 0 # Id: 2812702 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.50 25.0 Mn+2 + F- = MnF+ - log_k 1.6 - delta_h 11 kJ - -gamma 5 0 + log_k 1.6 + delta_h 11 kJ + -gamma 5 0 # Id: 4702700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cr(OH)2+ + 2H+ + F- = CrF+2 + 2H2O - log_k 14.7688 - delta_h -70.2452 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ + F- = CrF+2 + 2 H2O + log_k 14.7688 + delta_h -70.2452 kJ + -gamma 0 0 # Id: 2112700 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 VO+2 + F- = VOF+ - log_k 3.778 - delta_h 7.9 kJ - -gamma 0 0 + log_k 3.778 + delta_h 7.9 kJ + -gamma 0 0 # Id: 9022700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 -VO+2 + 2F- = VOF2 - log_k 6.352 - delta_h 14 kJ - -gamma 0 0 +VO+2 + 2 F- = VOF2 + log_k 6.352 + delta_h 14 kJ + -gamma 0 0 # Id: 9022701 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 -VO+2 + 3F- = VOF3- - log_k 7.902 - delta_h 20 kJ - -gamma 0 0 +VO+2 + 3 F- = VOF3- + log_k 7.902 + delta_h 20 kJ + -gamma 0 0 # Id: 9022702 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 -VO+2 + 4F- = VOF4-2 - log_k 8.508 - delta_h 26 kJ - -gamma 0 0 +VO+2 + 4 F- = VOF4-2 + log_k 8.508 + delta_h 26 kJ + -gamma 0 0 # Id: 9022703 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 VO2+ + F- = VO2F - log_k 3.244 - delta_h 0 kJ - -gamma 0 0 + log_k 3.244 + delta_h 0 kJ + -gamma 0 0 # Id: 9032700 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -VO2+ + 2F- = VO2F2- - log_k 5.804 - delta_h 0 kJ - -gamma 0 0 +VO2+ + 2 F- = VO2F2- + log_k 5.804 + delta_h 0 kJ + -gamma 0 0 # Id: 9032701 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 -VO2+ + 3F- = VO2F3-2 - log_k 6.9 - delta_h 0 kJ - -gamma 0 0 +VO2+ + 3 F- = VO2F3-2 + log_k 6.9 + delta_h 0 kJ + -gamma 0 0 # Id: 9032702 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 -VO2+ + 4F- = VO2F4-3 - log_k 6.592 - delta_h 0 kJ - -gamma 0 0 +VO2+ + 4 F- = VO2F4-3 + log_k 6.592 + delta_h 0 kJ + -gamma 0 0 # Id: 9032703 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 U+4 + F- = UF+3 - log_k 9.3 - delta_h 21.1292 kJ - -gamma 0 0 + log_k 9.3 + delta_h 21.1292 kJ + -gamma 0 0 # Id: 8912700 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -U+4 + 2F- = UF2+2 - log_k 16.4 - delta_h 30.1248 kJ - -gamma 0 0 +U+4 + 2 F- = UF2+2 + log_k 16.4 + delta_h 30.1248 kJ + -gamma 0 0 # Id: 8912701 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -U+4 + 3F- = UF3+ - log_k 21.6 - delta_h 29.9156 kJ - -gamma 0 0 +U+4 + 3 F- = UF3+ + log_k 21.6 + delta_h 29.9156 kJ + -gamma 0 0 # Id: 8912702 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -U+4 + 4F- = UF4 - log_k 23.64 - delta_h 19.2464 kJ - -gamma 0 0 +U+4 + 4 F- = UF4 + log_k 23.64 + delta_h 19.2464 kJ + -gamma 0 0 # Id: 8912703 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -U+4 + 5F- = UF5- - log_k 25.238 - delta_h 20.2924 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +U+4 + 5 F- = UF5- + log_k 25.238 + delta_h 20.2924 kJ + -gamma 0 0 # Id: 8912704 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -U+4 + 6F- = UF6-2 - log_k 27.718 - delta_h 13.8072 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +U+4 + 6 F- = UF6-2 + log_k 27.718 + delta_h 13.8072 kJ + -gamma 0 0 # Id: 8912705 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: UO2+2 + F- = UO2F+ - log_k 5.14 - delta_h 1 kJ - -gamma 0 0 + log_k 5.14 + delta_h 1 kJ + -gamma 0 0 # Id: 8932700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -UO2+2 + 2F- = UO2F2 - log_k 8.6 - delta_h 2 kJ - -gamma 0 0 +UO2+2 + 2 F- = UO2F2 + log_k 8.6 + delta_h 2 kJ + -gamma 0 0 # Id: 8932701 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -UO2+2 + 3F- = UO2F3- - log_k 11 - delta_h 2 kJ - -gamma 0 0 +UO2+2 + 3 F- = UO2F3- + log_k 11 + delta_h 2 kJ + -gamma 0 0 # Id: 8932702 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -UO2+2 + 4F- = UO2F4-2 - log_k 11.9 - delta_h 0.4 kJ - -gamma 0 0 +UO2+2 + 4 F- = UO2F4-2 + log_k 11.9 + delta_h 0.4 kJ + -gamma 0 0 # Id: 8932703 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Be+2 + F- = BeF+ - log_k 5.249 - delta_h 0 kJ - -gamma 0 0 + log_k 5.249 + delta_h 0 kJ + -gamma 0 0 # Id: 1102701 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 -Be+2 + 2F- = BeF2 - log_k 9.1285 - delta_h -4 kJ - -gamma 0 0 +Be+2 + 2 F- = BeF2 + log_k 9.1285 + delta_h -4 kJ + -gamma 0 0 # Id: 1102702 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 -Be+2 + 3F- = BeF3- - log_k 11.9085 - delta_h -8 kJ - -gamma 0 0 +Be+2 + 3 F- = BeF3- + log_k 11.9085 + delta_h -8 kJ + -gamma 0 0 # Id: 1102703 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 Mg+2 + F- = MgF+ - log_k 2.05 - delta_h 13 kJ - -gamma 4.5 0 + log_k 2.05 + delta_h 13 kJ + -gamma 4.5 0 # Id: 4602700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ca+2 + F- = CaF+ - log_k 1.038 - delta_h 14 kJ - -gamma 5 0 + log_k 1.038 + delta_h 14 kJ + -gamma 5 0 # Id: 1502700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 Sr+2 + F- = SrF+ - log_k 0.548 - delta_h 16 kJ - -gamma 0 0 + log_k 0.548 + delta_h 16 kJ + -gamma 0 0 # Id: 8002701 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 1.00 25.0 Na+ + F- = NaF - log_k -0.2 - delta_h 12 kJ - -gamma 0 0 + log_k -0.2 + delta_h 12 kJ + -gamma 0 0 # Id: 5002700 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Sn(OH)2 + 2H+ + Cl- = SnCl+ + 2H2O - log_k 8.734 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + Cl- = SnCl+ + 2 H2O + log_k 8.734 + delta_h 0 kJ + -gamma 0 0 # Id: 7901801 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Sn(OH)2 + 2H+ + 2Cl- = SnCl2 + 2H2O - log_k 9.524 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + 2 Cl- = SnCl2 + 2 H2O + log_k 9.524 + delta_h 0 kJ + -gamma 0 0 # Id: 7901802 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Sn(OH)2 + 2H+ + 3Cl- = SnCl3- + 2H2O - log_k 8.3505 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + 3 Cl- = SnCl3- + 2 H2O + log_k 8.3505 + delta_h 0 kJ + -gamma 0 0 # Id: 7901803 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 2.00 25.0 Pb+2 + Cl- = PbCl+ - log_k 1.55 - delta_h 8.7 kJ - -gamma 0 0 + log_k 1.55 + delta_h 8.7 kJ + -gamma 0 0 # Id: 6001800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Pb+2 + 2Cl- = PbCl2 - log_k 2.2 - delta_h 12 kJ - -gamma 0 0 +Pb+2 + 2 Cl- = PbCl2 + log_k 2.2 + delta_h 12 kJ + -gamma 0 0 # Id: 6001801 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Pb+2 + 3Cl- = PbCl3- - log_k 1.8 - delta_h 4 kJ - -gamma 0 0 +Pb+2 + 3 Cl- = PbCl3- + log_k 1.8 + delta_h 4 kJ + -gamma 0 0 # Id: 6001802 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Pb+2 + 4Cl- = PbCl4-2 - log_k 1.46 - delta_h 14.7695 kJ - -gamma 0 0 +Pb+2 + 4 Cl- = PbCl4-2 + log_k 1.46 + delta_h 14.7695 kJ + -gamma 0 0 # Id: 6001803 - # log K source: SCD3.02 (1984 SEa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1984 SEa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Tl+ + Cl- = TlCl - log_k 0.51 - delta_h -6.2 kJ - -gamma 0 0 + log_k 0.51 + delta_h -6.2 kJ + -gamma 0 0 # Id: 8701800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Tl+ + 2Cl- = TlCl2- - log_k 0.28 - delta_h 0 kJ - -gamma 0 0 +Tl+ + 2 Cl- = TlCl2- + log_k 0.28 + delta_h 0 kJ + -gamma 0 0 # Id: 8701801 - # log K source: SCD3.02 (1992 RAb) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1992 RAb) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Tl(OH)3 + 3H+ + Cl- = TlCl+2 + 3H2O - log_k 11.011 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + 3 H+ + Cl- = TlCl+2 + 3 H2O + log_k 11.011 + delta_h 0 kJ + -gamma 0 0 # Id: 8711800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Tl(OH)3 + 3H+ + 2Cl- = TlCl2+ + 3H2O - log_k 16.771 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + 3 H+ + 2 Cl- = TlCl2+ + 3 H2O + log_k 16.771 + delta_h 0 kJ + -gamma 0 0 # Id: 8711801 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Tl(OH)3 + 3H+ + 3Cl- = TlCl3 + 3H2O - log_k 19.791 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + 3 H+ + 3 Cl- = TlCl3 + 3 H2O + log_k 19.791 + delta_h 0 kJ + -gamma 0 0 # Id: 8711802 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Tl(OH)3 + 3H+ + 4Cl- = TlCl4- + 3H2O - log_k 21.591 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + 3 H+ + 4 Cl- = TlCl4- + 3 H2O + log_k 21.591 + delta_h 0 kJ + -gamma 0 0 # Id: 8711803 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Tl(OH)3 + Cl- + 2H+ = TlOHCl+ + 2H2O - log_k 10.629 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + Cl- + 2 H+ = TlOHCl+ + 2 H2O + log_k 10.629 + delta_h 0 kJ + -gamma 0 0 # Id: 8711804 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Zn+2 + Cl- = ZnCl+ - log_k 0.4 - delta_h 5.4 kJ - -gamma 4 0 + log_k 0.4 + delta_h 5.4 kJ + -gamma 4 0 # Id: 9501800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Zn+2 + 2Cl- = ZnCl2 - log_k 0.6 - delta_h 37 kJ - -gamma 0 0 +Zn+2 + 2 Cl- = ZnCl2 + log_k 0.6 + delta_h 37 kJ + -gamma 0 0 # Id: 9501801 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Zn+2 + 3Cl- = ZnCl3- - log_k 0.5 - delta_h 39.999 kJ - -gamma 4 0 +Zn+2 + 3 Cl- = ZnCl3- + log_k 0.5 + delta_h 39.999 kJ + -gamma 4 0 # Id: 9501802 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Zn+2 + 4Cl- = ZnCl4-2 - log_k 0.199 - delta_h 45.8566 kJ - -gamma 5 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Zn+2 + 4 Cl- = ZnCl4-2 + log_k 0.199 + delta_h 45.8566 kJ + -gamma 5 0 # Id: 9501803 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Zn+2 + H2O + Cl- = ZnOHCl + H+ - log_k -7.48 - delta_h 0 kJ - -gamma 0 0 + log_k -7.48 + delta_h 0 kJ + -gamma 0 0 # Id: 9501804 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Cd+2 + Cl- = CdCl+ - log_k 1.98 - delta_h 1 kJ - -gamma 0 0 + log_k 1.98 + delta_h 1 kJ + -gamma 0 0 # Id: 1601800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cd+2 + 2Cl- = CdCl2 - log_k 2.6 - delta_h 3 kJ - -gamma 0 0 +Cd+2 + 2 Cl- = CdCl2 + log_k 2.6 + delta_h 3 kJ + -gamma 0 0 # Id: 1601801 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cd+2 + 3Cl- = CdCl3- - log_k 2.4 - delta_h 10 kJ - -gamma 0 0 +Cd+2 + 3 Cl- = CdCl3- + log_k 2.4 + delta_h 10 kJ + -gamma 0 0 # Id: 1601802 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Cd+2 + H2O + Cl- = CdOHCl + H+ - log_k -7.404 - delta_h 18.2213 kJ - -gamma 0 0 + log_k -7.404 + delta_h 18.2213 kJ + -gamma 0 0 # Id: 1601803 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Hg(OH)2 + 2H+ + Cl- = HgCl+ + 2H2O - log_k 13.494 - delta_h -62.72 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Hg(OH)2 + 2 H+ + Cl- = HgCl+ + 2 H2O + log_k 13.494 + delta_h -62.72 kJ + -gamma 0 0 # Id: 3611800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + 2Cl- = HgCl2 + 2H2O - log_k 20.194 - delta_h -92.42 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 2 Cl- = HgCl2 + 2 H2O + log_k 20.194 + delta_h -92.42 kJ + -gamma 0 0 # Id: 3611801 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + 3Cl- = HgCl3- + 2H2O - log_k 21.194 - delta_h -94.02 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 3 Cl- = HgCl3- + 2 H2O + log_k 21.194 + delta_h -94.02 kJ + -gamma 0 0 # Id: 3611802 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + 4Cl- = HgCl4-2 + 2H2O - log_k 21.794 - delta_h -100.72 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 4 Cl- = HgCl4-2 + 2 H2O + log_k 21.794 + delta_h -100.72 kJ + -gamma 0 0 # Id: 3611803 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + Cl- + I- + 2H+ = HgClI + 2H2O - log_k 25.532 - delta_h -135.3 kJ - -gamma 0 0 +Hg(OH)2 + Cl- + I- + 2 H+ = HgClI + 2 H2O + log_k 25.532 + delta_h -135.3 kJ + -gamma 0 0 # Id: 3611804 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: Hg(OH)2 + H+ + Cl- = HgClOH + H2O - log_k 10.444 - delta_h -42.72 kJ - -gamma 0 0 + log_k 10.444 + delta_h -42.72 kJ + -gamma 0 0 # Id: 3611805 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 Cu+2 + Cl- = CuCl+ - log_k 0.2 - delta_h 8.3 kJ - -gamma 4 0 + log_k 0.2 + delta_h 8.3 kJ + -gamma 4 0 # Id: 2311800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cu+2 + 2Cl- = CuCl2 - log_k -0.26 - delta_h 44.183 kJ - -gamma 0 0 +Cu+2 + 2 Cl- = CuCl2 + log_k -0.26 + delta_h 44.183 kJ + -gamma 0 0 # Id: 2311801 - # log K source: SCD3.02 (1989 IPa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1989 IPa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cu+2 + 3Cl- = CuCl3- - log_k -2.29 - delta_h 57.279 kJ - -gamma 4 0 +Cu+2 + 3 Cl- = CuCl3- + log_k -2.29 + delta_h 57.279 kJ + -gamma 4 0 # Id: 2311802 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Cu+2 + 4Cl- = CuCl4-2 - log_k -4.59 - delta_h 32.5515 kJ - -gamma 5 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Cu+2 + 4 Cl- = CuCl4-2 + log_k -4.59 + delta_h 32.5515 kJ + -gamma 5 0 # Id: 2311803 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Cu+ + 2Cl- = CuCl2- - log_k 5.42 - delta_h -1.7573 kJ - -gamma 4 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Cu+ + 2 Cl- = CuCl2- + log_k 5.42 + delta_h -1.7573 kJ + -gamma 4 0 # Id: 2301800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cu+ + 3Cl- = CuCl3-2 - log_k 4.75 - delta_h 1.0878 kJ - -gamma 5 0 +Cu+ + 3 Cl- = CuCl3-2 + log_k 4.75 + delta_h 1.0878 kJ + -gamma 5 0 # Id: 2301801 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Cu+ + Cl- = CuCl - log_k 3.1 - delta_h 0 kJ - -gamma 0 0 + log_k 3.1 + delta_h 0 kJ + -gamma 0 0 # Id: 2301802 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Ag+ + Cl- = AgCl - log_k 3.31 - delta_h -12 kJ - -gamma 0 0 + log_k 3.31 + delta_h -12 kJ + -gamma 0 0 # Id: 201800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Ag+ + 2Cl- = AgCl2- - log_k 5.25 - delta_h -16 kJ - -gamma 0 0 +Ag+ + 2 Cl- = AgCl2- + log_k 5.25 + delta_h -16 kJ + -gamma 0 0 # Id: 201801 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Ag+ + 3Cl- = AgCl3-2 - log_k 5.2 - delta_h 0 kJ - -gamma 0 0 +Ag+ + 3 Cl- = AgCl3-2 + log_k 5.2 + delta_h 0 kJ + -gamma 0 0 # Id: 201802 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Ag+ + 4Cl- = AgCl4-3 - log_k 5.51 - delta_h 0 kJ - -gamma 0 0 +Ag+ + 4 Cl- = AgCl4-3 + log_k 5.51 + delta_h 0 kJ + -gamma 0 0 # Id: 201803 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Ni+2 + Cl- = NiCl+ - log_k 0.408 - delta_h 2 kJ - -gamma 0 0 + log_k 0.408 + delta_h 2 kJ + -gamma 0 0 # Id: 5401800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 -Ni+2 + 2Cl- = NiCl2 - log_k -1.89 - delta_h 0 kJ - -gamma 0 0 +Ni+2 + 2 Cl- = NiCl2 + log_k -1.89 + delta_h 0 kJ + -gamma 0 0 # Id: 5401801 - # log K source: SCD3.02 (1989 IPa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1989 IPa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Co+2 + Cl- = CoCl+ - log_k 0.539 - delta_h 2 kJ - -gamma 0 0 + log_k 0.539 + delta_h 2 kJ + -gamma 0 0 # Id: 2001800 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 Co+3 + Cl- = CoCl+2 - log_k 2.3085 - delta_h 16 kJ - -gamma 0 0 + log_k 2.3085 + delta_h 16 kJ + -gamma 0 0 # Id: 2011800 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 Fe+3 + Cl- = FeCl+2 - log_k 1.48 - delta_h 23 kJ - -gamma 5 0 + log_k 1.48 + delta_h 23 kJ + -gamma 5 0 # Id: 2811800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Fe+3 + 2Cl- = FeCl2+ - log_k 2.13 - delta_h 0 kJ - -gamma 5 0 +Fe+3 + 2 Cl- = FeCl2+ + log_k 2.13 + delta_h 0 kJ + -gamma 5 0 # Id: 2811801 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Fe+3 + 3Cl- = FeCl3 - log_k 1.13 - delta_h 0 kJ - -gamma 0 0 +Fe+3 + 3 Cl- = FeCl3 + log_k 1.13 + delta_h 0 kJ + -gamma 0 0 # Id: 2811802 - # log K source: Nord90 - # Delta H source: MTQ3.11 + # log K source: Nord90 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Mn+2 + Cl- = MnCl+ - log_k 0.1 - delta_h 0 kJ - -gamma 5 0 + log_k 0.1 + delta_h 0 kJ + -gamma 5 0 # Id: 4701800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 20.0 -Mn+2 + 2Cl- = MnCl2 - log_k 0.25 - delta_h 0 kJ - -gamma 0 0 +Mn+2 + 2 Cl- = MnCl2 + log_k 0.25 + delta_h 0 kJ + -gamma 0 0 # Id: 4701801 - # log K source: Nord90 - # Delta H source: MTQ3.11 + # log K source: Nord90 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Mn+2 + 3Cl- = MnCl3- - log_k -0.31 - delta_h 0 kJ - -gamma 5 0 +Mn+2 + 3 Cl- = MnCl3- + log_k -0.31 + delta_h 0 kJ + -gamma 5 0 # Id: 4701802 - # log K source: Nord90 - # Delta H source: MTQ3.11 + # log K source: Nord90 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cr(OH)2+ + 2H+ + Cl- = CrCl+2 + 2H2O - log_k 9.6808 - delta_h -103.62 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ + Cl- = CrCl+2 + 2 H2O + log_k 9.6808 + delta_h -103.62 kJ + -gamma 0 0 # Id: 2111800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 -Cr(OH)2+ + 2Cl- + 2H+ = CrCl2+ + 2H2O - log_k 8.658 - delta_h -39.2208 kJ - -gamma 0 0 +Cr(OH)2+ + 2 Cl- + 2 H+ = CrCl2+ + 2 H2O + log_k 8.658 + delta_h -39.2208 kJ + -gamma 0 0 # Id: 2111801 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Cr(OH)2+ + 2Cl- + H+ = CrOHCl2 + H2O - log_k 2.9627 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Cr(OH)2+ + 2 Cl- + H+ = CrOHCl2 + H2O + log_k 2.9627 + delta_h 0 kJ + -gamma 0 0 # Id: 2111802 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: VO+2 + Cl- = VOCl+ - log_k 0.448 - delta_h 0 kJ - -gamma 0 0 + log_k 0.448 + delta_h 0 kJ + -gamma 0 0 # Id: 9021800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 U+4 + Cl- = UCl+3 - log_k 1.7 - delta_h -20 kJ - -gamma 0 0 + log_k 1.7 + delta_h -20 kJ + -gamma 0 0 # Id: 8911800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 UO2+2 + Cl- = UO2Cl+ - log_k 0.21 - delta_h 16 kJ - -gamma 0 0 + log_k 0.21 + delta_h 16 kJ + -gamma 0 0 # Id: 8931800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Be+2 + Cl- = BeCl+ - log_k 0.2009 - delta_h 0 kJ - -gamma 5 0 + log_k 0.2009 + delta_h 0 kJ + -gamma 5 0 # Id: 1101801 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.70 20.0 -Sn(OH)2 + 2H+ + Br- = SnBr+ + 2H2O - log_k 8.254 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + Br- = SnBr+ + 2 H2O + log_k 8.254 + delta_h 0 kJ + -gamma 0 0 # Id: 7901301 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Sn(OH)2 + 2H+ + 2Br- = SnBr2 + 2H2O - log_k 8.794 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + 2 Br- = SnBr2 + 2 H2O + log_k 8.794 + delta_h 0 kJ + -gamma 0 0 # Id: 7901302 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Sn(OH)2 + 2H+ + 3Br- = SnBr3- + 2H2O - log_k 7.48 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + 3 Br- = SnBr3- + 2 H2O + log_k 7.48 + delta_h 0 kJ + -gamma 0 0 # Id: 7901303 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 3.00 25.0 Pb+2 + Br- = PbBr+ - log_k 1.7 - delta_h 8 kJ - -gamma 0 0 + log_k 1.7 + delta_h 8 kJ + -gamma 0 0 # Id: 6001300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Pb+2 + 2Br- = PbBr2 - log_k 2.6 - delta_h -4 kJ - -gamma 0 0 +Pb+2 + 2 Br- = PbBr2 + log_k 2.6 + delta_h -4 kJ + -gamma 0 0 # Id: 6001301 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Tl+ + Br- = TlBr - log_k 0.91 - delta_h -12 kJ - -gamma 0 0 + log_k 0.91 + delta_h -12 kJ + -gamma 0 0 # Id: 8701300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Tl+ + 2Br- = TlBr2- - log_k -0.384 - delta_h 12.36 kJ - -gamma 0 0 +Tl+ + 2 Br- = TlBr2- + log_k -0.384 + delta_h 12.36 kJ + -gamma 0 0 # Id: 8701301 - # log K source: NIST46.3 - # Delta H source: NIST2.1.1 + # log K source: NIST46.3 + # Delta H source: NIST2.1.1 #T and ionic strength: 4.00 25.0 Tl+ + Br- + Cl- = TlBrCl- - log_k 0.8165 - delta_h 0 kJ - -gamma 0 0 + log_k 0.8165 + delta_h 0 kJ + -gamma 0 0 # Id: 8701302 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Tl+ + I- + Br- = TlIBr- - log_k 2.185 - delta_h 0 kJ - -gamma 0 0 + log_k 2.185 + delta_h 0 kJ + -gamma 0 0 # Id: 8703802 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Tl(OH)3 + 3H+ + Br- = TlBr+2 + 3H2O - log_k 12.803 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Tl(OH)3 + 3 H+ + Br- = TlBr+2 + 3 H2O + log_k 12.803 + delta_h 0 kJ + -gamma 0 0 # Id: 8711300 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Tl(OH)3 + 3H+ + 2Br- = TlBr2+ + 3H2O - log_k 20.711 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + 3 H+ + 2 Br- = TlBr2+ + 3 H2O + log_k 20.711 + delta_h 0 kJ + -gamma 0 0 # Id: 8711301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Tl(OH)3 + 3Br- + 3H+ = TlBr3 + 3H2O - log_k 27.0244 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + 3 Br- + 3 H+ = TlBr3 + 3 H2O + log_k 27.0244 + delta_h 0 kJ + -gamma 0 0 # Id: 8711302 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Tl(OH)3 + 4Br- + 3H+ = TlBr4- + 3H2O - log_k 31.1533 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Tl(OH)3 + 4 Br- + 3 H+ = TlBr4- + 3 H2O + log_k 31.1533 + delta_h 0 kJ + -gamma 0 0 # Id: 8711303 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Zn+2 + Br- = ZnBr+ - log_k -0.07 - delta_h 1 kJ - -gamma 0 0 + log_k -0.07 + delta_h 1 kJ + -gamma 0 0 # Id: 9501300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Zn+2 + 2Br- = ZnBr2 - log_k -0.98 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 2 Br- = ZnBr2 + log_k -0.98 + delta_h 0 kJ + -gamma 0 0 # Id: 9501301 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Cd+2 + Br- = CdBr+ - log_k 2.15 - delta_h -3 kJ - -gamma 0 0 + log_k 2.15 + delta_h -3 kJ + -gamma 0 0 # Id: 1601300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cd+2 + 2Br- = CdBr2 - log_k 3 - delta_h -3 kJ - -gamma 0 0 +Cd+2 + 2 Br- = CdBr2 + log_k 3 + delta_h -3 kJ + -gamma 0 0 # Id: 1601301 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + Br- = HgBr+ + 2H2O - log_k 15.803 - delta_h -81.92 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + Br- = HgBr+ + 2 H2O + log_k 15.803 + delta_h -81.92 kJ + -gamma 0 0 # Id: 3611301 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.50 25.0 -Hg(OH)2 + 2H+ + 2Br- = HgBr2 + 2H2O - log_k 24.2725 - delta_h -127.12 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 2 Br- = HgBr2 + 2 H2O + log_k 24.2725 + delta_h -127.12 kJ + -gamma 0 0 # Id: 3611302 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.50 25.0 -Hg(OH)2 + 2H+ + 3Br- = HgBr3- + 2H2O - log_k 26.7025 - delta_h -138.82 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 3 Br- = HgBr3- + 2 H2O + log_k 26.7025 + delta_h -138.82 kJ + -gamma 0 0 # Id: 3611303 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.50 25.0 -Hg(OH)2 + 2H+ + 4Br- = HgBr4-2 + 2H2O - log_k 27.933 - delta_h -153.72 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 4 Br- = HgBr4-2 + 2 H2O + log_k 27.933 + delta_h -153.72 kJ + -gamma 0 0 # Id: 3611304 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.50 25.0 -Hg(OH)2 + Br- + Cl- + 2H+ = HgBrCl + 2H2O - log_k 22.1811 - delta_h -113.77 kJ - -gamma 0 0 +Hg(OH)2 + Br- + Cl- + 2 H+ = HgBrCl + 2 H2O + log_k 22.1811 + delta_h -113.77 kJ + -gamma 0 0 # Id: 3611305 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Hg(OH)2 + Br- + I- + 2H+ = HgBrI + 2H2O - log_k 27.3133 - delta_h -151.27 kJ - -gamma 0 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Hg(OH)2 + Br- + I- + 2 H+ = HgBrI + 2 H2O + log_k 27.3133 + delta_h -151.27 kJ + -gamma 0 0 # Id: 3611306 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Hg(OH)2 + Br- + 3I- + 2H+ = HgBrI3-2 + 2H2O - log_k 34.2135 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Hg(OH)2 + Br- + 3 I- + 2 H+ = HgBrI3-2 + 2 H2O + log_k 34.2135 + delta_h 0 kJ + -gamma 0 0 # Id: 3611307 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Hg(OH)2 + 2Br- + 2I- + 2H+ = HgBr2I2-2 + 2H2O - log_k 32.3994 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Hg(OH)2 + 2 Br- + 2 I- + 2 H+ = HgBr2I2-2 + 2 H2O + log_k 32.3994 + delta_h 0 kJ + -gamma 0 0 # Id: 3611308 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Hg(OH)2 + 3Br- + I- + 2H+ = HgBr3I-2 + 2H2O - log_k 30.1528 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Hg(OH)2 + 3 Br- + I- + 2 H+ = HgBr3I-2 + 2 H2O + log_k 30.1528 + delta_h 0 kJ + -gamma 0 0 # Id: 3611309 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Hg(OH)2 + H+ + Br- = HgBrOH + H2O - log_k 12.433 - delta_h 0 kJ - -gamma 0 0 + log_k 12.433 + delta_h 0 kJ + -gamma 0 0 # Id: 3613301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Ag+ + Br- = AgBr - log_k 4.6 - delta_h 0 kJ - -gamma 0 0 + log_k 4.6 + delta_h 0 kJ + -gamma 0 0 # Id: 201300 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Ag+ + 2Br- = AgBr2- - log_k 7.5 - delta_h 0 kJ - -gamma 0 0 +Ag+ + 2 Br- = AgBr2- + log_k 7.5 + delta_h 0 kJ + -gamma 0 0 # Id: 201301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Ag+ + 3Br- = AgBr3-2 - log_k 8.1 - delta_h 0 kJ - -gamma 0 0 +Ag+ + 3 Br- = AgBr3-2 + log_k 8.1 + delta_h 0 kJ + -gamma 0 0 # Id: 201302 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Ni+2 + Br- = NiBr+ - log_k 0.5 - delta_h 0 kJ - -gamma 0 0 + log_k 0.5 + delta_h 0 kJ + -gamma 0 0 # Id: 5401300 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Cr(OH)2+ + Br- + 2H+ = CrBr+2 + 2H2O - log_k 7.5519 - delta_h -46.9068 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Cr(OH)2+ + Br- + 2 H+ = CrBr+2 + 2 H2O + log_k 7.5519 + delta_h -46.9068 kJ + -gamma 0 0 # Id: 2111300 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Be+2 + Br- = BeBr+ - log_k 0.1009 - delta_h 0 kJ - -gamma 5 0 + log_k 0.1009 + delta_h 0 kJ + -gamma 5 0 # Id: 1101301 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.70 20.0 Pb+2 + I- = PbI+ - log_k 2 - delta_h 0 kJ - -gamma 0 0 + log_k 2 + delta_h 0 kJ + -gamma 0 0 # Id: 6003800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Pb+2 + 2I- = PbI2 - log_k 3.2 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 2 I- = PbI2 + log_k 3.2 + delta_h 0 kJ + -gamma 0 0 # Id: 6003801 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Tl+ + I- = TlI - log_k 1.4279 - delta_h 0 kJ - -gamma 0 0 + log_k 1.4279 + delta_h 0 kJ + -gamma 0 0 # Id: 8703800 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Tl+ + 2I- = TlI2- - log_k 1.8588 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Tl+ + 2 I- = TlI2- + log_k 1.8588 + delta_h 0 kJ + -gamma 0 0 # Id: 8703801 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Tl(OH)3 + 4I- + 3H+ = TlI4- + 3H2O - log_k 34.7596 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Tl(OH)3 + 4 I- + 3 H+ = TlI4- + 3 H2O + log_k 34.7596 + delta_h 0 kJ + -gamma 0 0 # Id: 8713800 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Zn+2 + I- = ZnI+ - log_k -2.0427 - delta_h -4 kJ - -gamma 0 0 + log_k -2.0427 + delta_h -4 kJ + -gamma 0 0 # Id: 9503800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 3.00 25.0 -Zn+2 + 2I- = ZnI2 - log_k -1.69 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 2 I- = ZnI2 + log_k -1.69 + delta_h 0 kJ + -gamma 0 0 # Id: 9503801 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Cd+2 + I- = CdI+ - log_k 2.28 - delta_h -9.6 kJ - -gamma 0 0 + log_k 2.28 + delta_h -9.6 kJ + -gamma 0 0 # Id: 1603800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cd+2 + 2I- = CdI2 - log_k 3.92 - delta_h -12 kJ - -gamma 0 0 +Cd+2 + 2 I- = CdI2 + log_k 3.92 + delta_h -12 kJ + -gamma 0 0 # Id: 1603801 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + I- = HgI+ + 2H2O - log_k 19.603 - delta_h -111.22 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + I- = HgI+ + 2 H2O + log_k 19.603 + delta_h -111.22 kJ + -gamma 0 0 # Id: 3613801 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 -Hg(OH)2 + 2H+ + 2I- = HgI2 + 2H2O - log_k 30.8225 - delta_h -182.72 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 2 I- = HgI2 + 2 H2O + log_k 30.8225 + delta_h -182.72 kJ + -gamma 0 0 # Id: 3613802 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 -Hg(OH)2 + 2H+ + 3I- = HgI3- + 2H2O - log_k 34.6025 - delta_h -194.22 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 3 I- = HgI3- + 2 H2O + log_k 34.6025 + delta_h -194.22 kJ + -gamma 0 0 # Id: 3613803 - # log K source: NIST46.4 - # Delta H source: NIST2.1.1 + # log K source: NIST46.4 + # Delta H source: NIST2.1.1 #T and ionic strength: 0.50 25.0 -Hg(OH)2 + 2H+ + 4I- = HgI4-2 + 2H2O - log_k 36.533 - delta_h -220.72 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 4 I- = HgI4-2 + 2 H2O + log_k 36.533 + delta_h -220.72 kJ + -gamma 0 0 # Id: 3613804 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 Ag+ + I- = AgI - log_k 6.6 - delta_h 0 kJ - -gamma 0 0 + log_k 6.6 + delta_h 0 kJ + -gamma 0 0 # Id: 203800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 18.0 -Ag+ + 2I- = AgI2- - log_k 11.7 - delta_h 0 kJ - -gamma 0 0 +Ag+ + 2 I- = AgI2- + log_k 11.7 + delta_h 0 kJ + -gamma 0 0 # Id: 203801 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 18.0 -Ag+ + 3I- = AgI3-2 - log_k 12.6 - delta_h -122 kJ - -gamma 0 0 +Ag+ + 3 I- = AgI3-2 + log_k 12.6 + delta_h -122 kJ + -gamma 0 0 # Id: 203802 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Ag+ + 4I- = AgI4-3 - log_k 14.229 - delta_h 0 kJ - -gamma 0 0 +Ag+ + 4 I- = AgI4-3 + log_k 14.229 + delta_h 0 kJ + -gamma 0 0 # Id: 203803 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 2.00 25.0 -Cr(OH)2+ + I- + 2H+ = CrI+2 + 2H2O - log_k 4.8289 - delta_h 0 kJ - -gamma 0 0 +Cr(OH)2+ + I- + 2 H+ = CrI+2 + 2 H2O + log_k 4.8289 + delta_h 0 kJ + -gamma 0 0 # Id: 2113800 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: H+ + HS- = H2S - log_k 7.02 - delta_h -22 kJ - -gamma 0 0 + log_k 7.02 + delta_h -22 kJ + -gamma 0 0 # Id: 3307300 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Pb+2 + 2HS- = Pb(HS)2 - log_k 15.27 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 2 HS- = Pb(HS)2 + log_k 15.27 + delta_h 0 kJ + -gamma 0 0 # Id: 6007300 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Pb+2 + 3HS- = Pb(HS)3- - log_k 16.57 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Pb+2 + 3 HS- = Pb(HS)3- + log_k 16.57 + delta_h 0 kJ + -gamma 0 0 # Id: 6007301 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Tl+ + HS- = TlHS - log_k 2.474 - delta_h 0 kJ - -gamma 0 0 + log_k 2.474 + delta_h 0 kJ + -gamma 0 0 # Id: 8707300 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -2Tl+ + HS- = Tl2HS+ - log_k 5.974 - delta_h 0 kJ - -gamma 0 0 +2 Tl+ + HS- = Tl2HS+ + log_k 5.974 + delta_h 0 kJ + -gamma 0 0 # Id: 8707301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -2Tl+ + 3HS- + H2O = Tl2OH(HS)3-2 + H+ - log_k 1.0044 - delta_h 0 kJ - -gamma 0 0 +2 Tl+ + 3 HS- + H2O = Tl2OH(HS)3-2 + H+ + log_k 1.0044 + delta_h 0 kJ + -gamma 0 0 # Id: 8707302 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -2Tl+ + 2HS- + 2H2O = Tl2(OH)2(HS)2-2 + 2H+ - log_k -11.0681 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +2 Tl+ + 2 HS- + 2 H2O = Tl2(OH)2(HS)2-2 + 2 H+ + log_k -11.0681 + delta_h 0 kJ + -gamma 0 0 # Id: 8707303 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Zn+2 + 2HS- = Zn(HS)2 - log_k 12.82 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Zn+2 + 2 HS- = Zn(HS)2 + log_k 12.82 + delta_h 0 kJ + -gamma 0 0 # Id: 9507300 - # log K source: DHa1993 - # Delta H source: MTQ3.11 + # log K source: DHa1993 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Zn+2 + 3HS- = Zn(HS)3- - log_k 16.1 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 3 HS- = Zn(HS)3- + log_k 16.1 + delta_h 0 kJ + -gamma 0 0 # Id: 9507301 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Zn+2 + 3HS- = ZnS(HS)2-2 + H+ - log_k 6.12 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Zn+2 + 3 HS- = ZnS(HS)2-2 + H+ + log_k 6.12 + delta_h 0 kJ + -gamma 0 0 # Id: 9507302 - # log K source: DHa1993 - # Delta H source: MTQ3.11 + # log K source: DHa1993 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Zn+2 + 2HS- + 2HS- = Zn(HS)4-2 - log_k 14.64 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 2 HS- + 2 HS- = Zn(HS)4-2 + log_k 14.64 + delta_h 0 kJ + -gamma 0 0 # Id: 9507303 - # log K source: DHa1993 - # Delta H source: MTQ3.11 + # log K source: DHa1993 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Zn+2 + 2HS- = ZnS(HS)- + H+ - log_k 6.81 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 2 HS- = ZnS(HS)- + H+ + log_k 6.81 + delta_h 0 kJ + -gamma 0 0 # Id: 9507304 - # log K source: DHa1993 - # Delta H source: MTQ3.11 + # log K source: DHa1993 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Cd+2 + HS- = CdHS+ - log_k 8.008 - delta_h 0 kJ - -gamma 0 0 + log_k 8.008 + delta_h 0 kJ + -gamma 0 0 # Id: 1607300 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Cd+2 + 2HS- = Cd(HS)2 - log_k 15.212 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 2 HS- = Cd(HS)2 + log_k 15.212 + delta_h 0 kJ + -gamma 0 0 # Id: 1607301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Cd+2 + 3HS- = Cd(HS)3- - log_k 17.112 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 3 HS- = Cd(HS)3- + log_k 17.112 + delta_h 0 kJ + -gamma 0 0 # Id: 1607302 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Cd+2 + 4HS- = Cd(HS)4-2 - log_k 19.308 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 4 HS- = Cd(HS)4-2 + log_k 19.308 + delta_h 0 kJ + -gamma 0 0 # Id: 1607303 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Hg(OH)2 + 2HS- = HgS2-2 + 2H2O - log_k 29.414 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 HS- = HgS2-2 + 2 H2O + log_k 29.414 + delta_h 0 kJ + -gamma 0 0 # Id: 3617300 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 -Hg(OH)2 + 2H+ + 2HS- = Hg(HS)2 + 2H2O - log_k 44.516 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 2 HS- = Hg(HS)2 + 2 H2O + log_k 44.516 + delta_h 0 kJ + -gamma 0 0 # Id: 3617301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 -Hg(OH)2 + H+ + 2HS- = HgHS2- + 2H2O - log_k 38.122 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + H+ + 2 HS- = HgHS2- + 2 H2O + log_k 38.122 + delta_h 0 kJ + -gamma 0 0 # Id: 3617302 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 -Cu+2 + 3HS- = Cu(HS)3- - log_k 25.899 - delta_h 0 kJ - -gamma 0 0 +Cu+2 + 3 HS- = Cu(HS)3- + log_k 25.899 + delta_h 0 kJ + -gamma 0 0 # Id: 2317300 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Ag+ + HS- = AgHS - log_k 13.8145 - delta_h 0 kJ - -gamma 0 0 + log_k 13.8145 + delta_h 0 kJ + -gamma 0 0 # Id: 207300 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 20.0 -Ag+ + 2HS- = Ag(HS)2- - log_k 17.9145 - delta_h 0 kJ - -gamma 0 0 +Ag+ + 2 HS- = Ag(HS)2- + log_k 17.9145 + delta_h 0 kJ + -gamma 0 0 # Id: 207301 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 20.0 -Fe+2 + 2HS- = Fe(HS)2 - log_k 8.95 - delta_h 0 kJ - -gamma 0 0 +Fe+2 + 2 HS- = Fe(HS)2 + log_k 8.95 + delta_h 0 kJ + -gamma 0 0 # Id: 2807300 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Fe+2 + 3HS- = Fe(HS)3- - log_k 10.987 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Fe+2 + 3 HS- = Fe(HS)3- + log_k 10.987 + delta_h 0 kJ + -gamma 0 0 # Id: 2807301 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: HS- = S2-2 + H+ - log_k -11.7828 - delta_h 46.4 kJ - -gamma 0 0 + log_k -11.7828 + delta_h 46.4 kJ + -gamma 0 0 -no_check # Id: 7317300 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: HS- = S3-2 + H+ - log_k -10.7667 - delta_h 42.2 kJ - -gamma 0 0 + log_k -10.7667 + delta_h 42.2 kJ + -gamma 0 0 -no_check # Id: 7317301 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: HS- = S4-2 + H+ - log_k -9.9608 - delta_h 39.3 kJ - -gamma 0 0 + log_k -9.9608 + delta_h 39.3 kJ + -gamma 0 0 -no_check # Id: 7317302 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: HS- = S5-2 + H+ - log_k -9.3651 - delta_h 37.6 kJ - -gamma 0 0 + log_k -9.3651 + delta_h 37.6 kJ + -gamma 0 0 -no_check # Id: 7317303 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: HS- = S6-2 + H+ - log_k -9.881 - delta_h 0 kJ - -gamma 0 0 + log_k -9.881 + delta_h 0 kJ + -gamma 0 0 -no_check # Id: 7317304 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -2Sb(OH)3 + 4HS- + 2H+ = Sb2S4-2 + 6H2O - log_k 49.3886 - delta_h -321.78 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +2 Sb(OH)3 + 4 HS- + 2 H+ = Sb2S4-2 + 6 H2O + log_k 49.3886 + delta_h -321.78 kJ + -gamma 0 0 # Id: 7407300 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Cu+ + 2HS- = Cu(S4)2-3 + 2H+ - log_k 3.39 - delta_h 0 kJ - -gamma 23 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Cu+ + 2 HS- = Cu(S4)2-3 + 2 H+ + log_k 3.39 + delta_h 0 kJ + -gamma 23 0 -no_check # Id: 2307300 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Cu+ + 2HS- = CuS4S5-3 + 2H+ - log_k 2.66 - delta_h 0 kJ - -gamma 25 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Cu+ + 2 HS- = CuS4S5-3 + 2 H+ + log_k 2.66 + delta_h 0 kJ + -gamma 25 0 -no_check # Id: 2307301 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Ag+ + 2HS- = Ag(S4)2-3 + 2H+ - log_k 0.991 - delta_h 0 kJ - -gamma 22 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Ag+ + 2 HS- = Ag(S4)2-3 + 2 H+ + log_k 0.991 + delta_h 0 kJ + -gamma 22 0 -no_check # Id: 207302 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Ag+ + 2HS- = AgS4S5-3 + 2H+ - log_k 0.68 - delta_h 0 kJ - -gamma 24 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Ag+ + 2 HS- = AgS4S5-3 + 2 H+ + log_k 0.68 + delta_h 0 kJ + -gamma 24 0 -no_check # Id: 207303 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Ag+ + 2HS- = Ag(HS)S4-2 + H+ - log_k 10.431 - delta_h 0 kJ - -gamma 15 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Ag+ + 2 HS- = Ag(HS)S4-2 + H+ + log_k 10.431 + delta_h 0 kJ + -gamma 15 0 -no_check # Id: 207304 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: H+ + SO4-2 = HSO4- - log_k 1.99 - delta_h 22 kJ - -gamma 4.5 0 + log_k 1.99 + delta_h 22 kJ + -gamma 4.5 0 # Id: 3307320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 NH4+ + SO4-2 = NH4SO4- - log_k 1.03 - delta_h 0 kJ - -gamma 5 0 + log_k 1.03 + delta_h 0 kJ + -gamma 5 0 # Id: 4907320 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Pb+2 + SO4-2 = PbSO4 - log_k 2.69 - delta_h 0 kJ - -gamma 0 0 + log_k 2.69 + delta_h 0 kJ + -gamma 0 0 # Id: 6007320 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Pb+2 + 2SO4-2 = Pb(SO4)2-2 - log_k 3.47 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 2 SO4-2 = Pb(SO4)2-2 + log_k 3.47 + delta_h 0 kJ + -gamma 0 0 # Id: 6007321 - # log K source: SCD3.02 (1960 RKa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1960 RKa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Al+3 + SO4-2 = AlSO4+ - log_k 3.89 - delta_h 28 kJ - -gamma 4.5 0 + log_k 3.89 + delta_h 28 kJ + -gamma 4.5 0 # Id: 307320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Al+3 + 2SO4-2 = Al(SO4)2- - log_k 4.92 - delta_h 11.9 kJ - -gamma 4.5 0 +Al+3 + 2 SO4-2 = Al(SO4)2- + log_k 4.92 + delta_h 11.9 kJ + -gamma 4.5 0 # Id: 307321 - # log K source: Nord90 - # Delta H source: Nord90 + # log K source: Nord90 + # Delta H source: Nord90 #T and ionic strength: 0.00 25.0 Tl+ + SO4-2 = TlSO4- - log_k 1.37 - delta_h -0.8 kJ - -gamma 0 0 + log_k 1.37 + delta_h -0.8 kJ + -gamma 0 0 # Id: 8707320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Zn+2 + SO4-2 = ZnSO4 - log_k 2.34 - delta_h 6.2 kJ - -gamma 0 0 + log_k 2.34 + delta_h 6.2 kJ + -gamma 0 0 # Id: 9507320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Zn+2 + 2SO4-2 = Zn(SO4)2-2 - log_k 3.28 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 2 SO4-2 = Zn(SO4)2-2 + log_k 3.28 + delta_h 0 kJ + -gamma 0 0 # Id: 9507321 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Cd+2 + SO4-2 = CdSO4 - log_k 2.37 - delta_h 8.7 kJ - -gamma 0 0 + log_k 2.37 + delta_h 8.7 kJ + -gamma 0 0 # Id: 1607320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cd+2 + 2SO4-2 = Cd(SO4)2-2 - log_k 3.5 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 2 SO4-2 = Cd(SO4)2-2 + log_k 3.5 + delta_h 0 kJ + -gamma 0 0 # Id: 1607321 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Hg(OH)2 + 2H+ + SO4-2 = HgSO4 + 2H2O - log_k 8.612 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Hg(OH)2 + 2 H+ + SO4-2 = HgSO4 + 2 H2O + log_k 8.612 + delta_h 0 kJ + -gamma 0 0 # Id: 3617320 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Cu+2 + SO4-2 = CuSO4 - log_k 2.36 - delta_h 8.7 kJ - -gamma 0 0 + log_k 2.36 + delta_h 8.7 kJ + -gamma 0 0 # Id: 2317320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ag+ + SO4-2 = AgSO4- - log_k 1.3 - delta_h 6.2 kJ - -gamma 0 0 + log_k 1.3 + delta_h 6.2 kJ + -gamma 0 0 # Id: 207320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ni+2 + SO4-2 = NiSO4 - log_k 2.3 - delta_h 5.8 kJ - -gamma 0 0 + log_k 2.3 + delta_h 5.8 kJ + -gamma 0 0 # Id: 5407320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Ni+2 + 2SO4-2 = Ni(SO4)2-2 - log_k 0.82 - delta_h 0 kJ - -gamma 0 0 +Ni+2 + 2 SO4-2 = Ni(SO4)2-2 + log_k 0.82 + delta_h 0 kJ + -gamma 0 0 # Id: 5407321 - # log K source: SCD3.02 (1978 BLa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1978 BLa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Co+2 + SO4-2 = CoSO4 - log_k 2.3 - delta_h 6.2 kJ - -gamma 0 0 + log_k 2.3 + delta_h 6.2 kJ + -gamma 0 0 # Id: 2007320 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Fe+2 + SO4-2 = FeSO4 - log_k 2.39 - delta_h 8 kJ - -gamma 0 0 + log_k 2.39 + delta_h 8 kJ + -gamma 0 0 # Id: 2807320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Fe+3 + SO4-2 = FeSO4+ - log_k 4.05 - delta_h 25 kJ - -gamma 5 0 + log_k 4.05 + delta_h 25 kJ + -gamma 5 0 # Id: 2817320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Fe+3 + 2SO4-2 = Fe(SO4)2- - log_k 5.38 - delta_h 19.2 kJ - -gamma 0 0 +Fe+3 + 2 SO4-2 = Fe(SO4)2- + log_k 5.38 + delta_h 19.2 kJ + -gamma 0 0 # Id: 2817321 - # log K source: Nord90 - # Delta H source: Nord90 + # log K source: Nord90 + # Delta H source: Nord90 #T and ionic strength: 0.00 25.0 Mn+2 + SO4-2 = MnSO4 - log_k 2.25 - delta_h 8.7 kJ - -gamma 0 0 + log_k 2.25 + delta_h 8.7 kJ + -gamma 0 0 # Id: 4707320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cr(OH)2+ + 2H+ + SO4-2 = CrSO4+ + 2H2O - log_k 12.9371 - delta_h -98.62 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ + SO4-2 = CrSO4+ + 2 H2O + log_k 12.9371 + delta_h -98.62 kJ + -gamma 0 0 # Id: 2117320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 50.0 Cr(OH)2+ + H+ + SO4-2 = CrOHSO4 + H2O - log_k 8.2871 - delta_h 0 kJ - -gamma 0 0 + log_k 8.2871 + delta_h 0 kJ + -gamma 0 0 # Id: 2117321 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 -2Cr(OH)2+ + SO4-2 + 2H+ = Cr2(OH)2SO4+2 + 2H2O - log_k 16.155 - delta_h 0 kJ - -gamma 0 0 +2 Cr(OH)2+ + SO4-2 + 2 H+ = Cr2(OH)2SO4+2 + 2 H2O + log_k 16.155 + delta_h 0 kJ + -gamma 0 0 # Id: 2117323 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -2Cr(OH)2+ + 2SO4-2 + 2H+ = Cr2(OH)2(SO4)2 + 2H2O - log_k 17.9288 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +2 Cr(OH)2+ + 2 SO4-2 + 2 H+ = Cr2(OH)2(SO4)2 + 2 H2O + log_k 17.9288 + delta_h 0 kJ + -gamma 0 0 # Id: 2117324 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: U+4 + SO4-2 = USO4+2 - log_k 6.6 - delta_h 8 kJ - -gamma 0 0 + log_k 6.6 + delta_h 8 kJ + -gamma 0 0 # Id: 8917320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -U+4 + 2SO4-2 = U(SO4)2 - log_k 10.5 - delta_h 33 kJ - -gamma 0 0 +U+4 + 2 SO4-2 = U(SO4)2 + log_k 10.5 + delta_h 33 kJ + -gamma 0 0 # Id: 8917321 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 UO2+2 + SO4-2 = UO2SO4 - log_k 3.18 - delta_h 20 kJ - -gamma 0 0 + log_k 3.18 + delta_h 20 kJ + -gamma 0 0 # Id: 8937320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -UO2+2 + 2SO4-2 = UO2(SO4)2-2 - log_k 4.3 - delta_h 38 kJ - -gamma 0 0 +UO2+2 + 2 SO4-2 = UO2(SO4)2-2 + log_k 4.3 + delta_h 38 kJ + -gamma 0 0 # Id: 8937321 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 V+3 + SO4-2 = VSO4+ - log_k 2.674 - delta_h 0 kJ - -gamma 0 0 + log_k 2.674 + delta_h 0 kJ + -gamma 0 0 # Id: 9017320 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 VO+2 + SO4-2 = VOSO4 - log_k 2.44 - delta_h 17 kJ - -gamma 0 0 + log_k 2.44 + delta_h 17 kJ + -gamma 0 0 # Id: 9027320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 VO2+ + SO4-2 = VO2SO4- - log_k 1.378 - delta_h 0 kJ - -gamma 0 0 + log_k 1.378 + delta_h 0 kJ + -gamma 0 0 # Id: 9037320 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 Be+2 + SO4-2 = BeSO4 - log_k 2.19 - delta_h 29 kJ - -gamma 0 0 + log_k 2.19 + delta_h 29 kJ + -gamma 0 0 # Id: 1107321 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Be+2 + 2SO4-2 = Be(SO4)2-2 - log_k 2.596 - delta_h 0 kJ - -gamma 0 0 +Be+2 + 2 SO4-2 = Be(SO4)2-2 + log_k 2.596 + delta_h 0 kJ + -gamma 0 0 # Id: 1107322 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 Mg+2 + SO4-2 = MgSO4 - log_k 2.26 - delta_h 5.8 kJ - -gamma 0 0 + log_k 2.26 + delta_h 5.8 kJ + -gamma 0 0 # Id: 4607320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ca+2 + SO4-2 = CaSO4 - log_k 2.36 - delta_h 7.1 kJ - -gamma 0 0 + log_k 2.36 + delta_h 7.1 kJ + -gamma 0 0 # Id: 1507320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Sr+2 + SO4-2 = SrSO4 - log_k 2.3 - delta_h 8 kJ - -gamma 0 0 + log_k 2.3 + delta_h 8 kJ + -gamma 0 0 # Id: 8007321 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Li+ + SO4-2 = LiSO4- - log_k 0.64 - delta_h 0 kJ - -gamma 5 0 + log_k 0.64 + delta_h 0 kJ + -gamma 5 0 # Id: 4407320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Na+ + SO4-2 = NaSO4- - log_k 0.73 - delta_h 1 kJ - -gamma 5.4 0 + log_k 0.73 + delta_h 1 kJ + -gamma 5.4 0 # Id: 5007320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 K+ + SO4-2 = KSO4- - log_k 0.85 - delta_h 4.1 kJ - -gamma 5.4 0 + log_k 0.85 + delta_h 4.1 kJ + -gamma 5.4 0 # Id: 4107320 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 HSe- + H+ = H2Se - log_k 3.89 - delta_h 3.3 kJ - -gamma 0 0 + log_k 3.89 + delta_h 3.3 kJ + -gamma 0 0 # Id: 3307600 - # log K source: NIST46.3 - # Delta H source: NIST2.1.1 + # log K source: NIST46.3 + # Delta H source: NIST2.1.1 #T and ionic strength: 0.00 25.0 -2Ag+ + HSe- = Ag2Se + H+ - log_k 34.911 - delta_h 0 kJ - -gamma 0 0 +2 Ag+ + HSe- = Ag2Se + H+ + log_k 34.911 + delta_h 0 kJ + -gamma 0 0 # Id: 207600 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Ag+ + H2O + 2HSe- = AgOH(Se)2-4 + 3H+ - log_k -20.509 - delta_h 0 kJ - -gamma 0 0 +Ag+ + H2O + 2 HSe- = AgOH(Se)2-4 + 3 H+ + log_k -20.509 + delta_h 0 kJ + -gamma 0 0 # Id: 207601 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 Mn+2 + HSe- = MnSe + H+ - log_k -5.385 - delta_h 0 kJ - -gamma 0 0 + log_k -5.385 + delta_h 0 kJ + -gamma 0 0 # Id: 4707600 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 HSeO3- = SeO3-2 + H+ - log_k -8.4 - delta_h 5.02 kJ - -gamma 0 0 + log_k -8.4 + delta_h 5.02 kJ + -gamma 0 0 # Id: 3307611 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 HSeO3- + H+ = H2SeO3 - log_k 2.63 - delta_h 6.2 kJ - -gamma 0 0 + log_k 2.63 + delta_h 6.2 kJ + -gamma 0 0 # Id: 3307610 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cd+2 + 2HSeO3- = Cd(SeO3)2-2 + 2H+ - log_k -10.884 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 2 HSeO3- = Cd(SeO3)2-2 + 2 H+ + log_k -10.884 + delta_h 0 kJ + -gamma 0 0 # Id: 1607610 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 Ag+ + HSeO3- = AgSeO3- + H+ - log_k -5.592 - delta_h 0 kJ - -gamma 0 0 + log_k -5.592 + delta_h 0 kJ + -gamma 0 0 # Id: 207610 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Ag+ + 2HSeO3- = Ag(SeO3)2-3 + 2H+ - log_k -13.04 - delta_h 0 kJ - -gamma 0 0 +Ag+ + 2 HSeO3- = Ag(SeO3)2-3 + 2 H+ + log_k -13.04 + delta_h 0 kJ + -gamma 0 0 # Id: 207611 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 Fe+3 + HSeO3- = FeHSeO3+2 - log_k 3.422 - delta_h 25 kJ - -gamma 0 0 + log_k 3.422 + delta_h 25 kJ + -gamma 0 0 # Id: 2817610 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 SeO4-2 + H+ = HSeO4- - log_k 1.7 - delta_h 23 kJ - -gamma 0 0 + log_k 1.7 + delta_h 23 kJ + -gamma 0 0 # Id: 3307620 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Zn+2 + SeO4-2 = ZnSeO4 - log_k 2.19 - delta_h 0 kJ - -gamma 0 0 + log_k 2.19 + delta_h 0 kJ + -gamma 0 0 # Id: 9507620 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Zn+2 + 2SeO4-2 = Zn(SeO4)2-2 - log_k 2.196 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 2 SeO4-2 = Zn(SeO4)2-2 + log_k 2.196 + delta_h 0 kJ + -gamma 0 0 # Id: 9507621 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 Cd+2 + SeO4-2 = CdSeO4 - log_k 2.27 - delta_h 0 kJ - -gamma 0 0 + log_k 2.27 + delta_h 0 kJ + -gamma 0 0 # Id: 1607620 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Ni+2 + SeO4-2 = NiSeO4 - log_k 2.67 - delta_h 14 kJ - -gamma 0 0 + log_k 2.67 + delta_h 14 kJ + -gamma 0 0 # Id: 5407620 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Co+2 + SeO4-2 = CoSeO4 - log_k 2.7 - delta_h 12 kJ - -gamma 0 0 + log_k 2.7 + delta_h 12 kJ + -gamma 0 0 # Id: 2007621 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Mn+2 + SeO4-2 = MnSeO4 - log_k 2.43 - delta_h 14 kJ - -gamma 0 0 + log_k 2.43 + delta_h 14 kJ + -gamma 0 0 # Id: 4707620 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 NH4+ = NH3 + H+ - log_k -9.244 - delta_h 52 kJ - -gamma 0 0 + log_k -9.244 + delta_h 52 kJ + -gamma 0 0 # Id: 3304900 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ag+ + NH4+ = AgNH3+ + H+ - log_k -5.934 - delta_h -72 kJ - -gamma 0 0 + log_k -5.934 + delta_h -72 kJ + -gamma 0 0 # Id: 204901 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ag+ + 2NH4+ = Ag(NH3)2+ + 2H+ - log_k -11.268 - delta_h -160 kJ - -gamma 0 0 +Ag+ + 2 NH4+ = Ag(NH3)2+ + 2 H+ + log_k -11.268 + delta_h -160 kJ + -gamma 0 0 # Id: 204902 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + H+ + NH4+ = HgNH3+2 + 2H2O - log_k 5.75 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + H+ + NH4+ = HgNH3+2 + 2 H2O + log_k 5.75 + delta_h 0 kJ + -gamma 0 0 # Id: 3614900 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 2.00 22.0 -Hg(OH)2 + 2NH4+ = Hg(NH3)2+2 + 2H2O - log_k 5.506 - delta_h -246.72 kJ - -gamma 0 0 +Hg(OH)2 + 2 NH4+ = Hg(NH3)2+2 + 2 H2O + log_k 5.506 + delta_h -246.72 kJ + -gamma 0 0 # Id: 3614901 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 1.00 25.0 -Hg(OH)2 + 3NH4+ = Hg(NH3)3+2 + 2H2O + H+ - log_k -3.138 - delta_h -312.72 kJ - -gamma 0 0 +Hg(OH)2 + 3 NH4+ = Hg(NH3)3+2 + 2 H2O + H+ + log_k -3.138 + delta_h -312.72 kJ + -gamma 0 0 # Id: 3614902 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 2.00 25.0 -Hg(OH)2 + 4NH4+ = Hg(NH3)4+2 + 2H2O + 2H+ - log_k -11.482 - delta_h -379.72 kJ - -gamma 0 0 +Hg(OH)2 + 4 NH4+ = Hg(NH3)4+2 + 2 H2O + 2 H+ + log_k -11.482 + delta_h -379.72 kJ + -gamma 0 0 # Id: 3614903 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.10 25.0 Cu+2 + NH4+ = CuNH3+2 + H+ - log_k -5.234 - delta_h -72 kJ - -gamma 0 0 + log_k -5.234 + delta_h -72 kJ + -gamma 0 0 # Id: 2314901 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ni+2 + NH4+ = NiNH3+2 + H+ - log_k -6.514 - delta_h -67 kJ - -gamma 0 0 + log_k -6.514 + delta_h -67 kJ + -gamma 0 0 # Id: 5404901 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -Ni+2 + 2NH4+ = Ni(NH3)2+2 + 2H+ - log_k -13.598 - delta_h -111.6 kJ - -gamma 0 0 +Ni+2 + 2 NH4+ = Ni(NH3)2+2 + 2 H+ + log_k -13.598 + delta_h -111.6 kJ + -gamma 0 0 # Id: 5404902 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Co+2 + NH4+ = Co(NH3)+2 + H+ - log_k -7.164 - delta_h -65 kJ - -gamma 0 0 + log_k -7.164 + delta_h -65 kJ + -gamma 0 0 # Id: 2004900 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -Co+2 + 2NH4+ = Co(NH3)2+2 + 2H+ - log_k -14.778 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 NH4+ = Co(NH3)2+2 + 2 H+ + log_k -14.778 + delta_h 0 kJ + -gamma 0 0 # Id: 2004901 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 2.00 25.0 -Co+2 + 3NH4+ = Co(NH3)3+2 + 3H+ - log_k -22.922 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 3 NH4+ = Co(NH3)3+2 + 3 H+ + log_k -22.922 + delta_h 0 kJ + -gamma 0 0 # Id: 2004902 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 2.00 25.0 -Co+2 + 4NH4+ = Co(NH3)4+2 + 4H+ - log_k -31.446 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 4 NH4+ = Co(NH3)4+2 + 4 H+ + log_k -31.446 + delta_h 0 kJ + -gamma 0 0 # Id: 2004903 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 2.00 30.0 -Co+2 + 5NH4+ = Co(NH3)5+2 + 5H+ - log_k -40.47 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 5 NH4+ = Co(NH3)5+2 + 5 H+ + log_k -40.47 + delta_h 0 kJ + -gamma 0 0 # Id: 2004904 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 2.00 30.0 -Co+3 + 6NH4+ + H2O = Co(NH3)6OH+2 + 7H+ - log_k -43.7148 - delta_h 0 kJ - -gamma 0 0 +Co+3 + 6 NH4+ + H2O = Co(NH3)6OH+2 + 7 H+ + log_k -43.7148 + delta_h 0 kJ + -gamma 0 0 # Id: 2014901 - # log K source: NIST2.1.1 - # Delta H source: MTQ3.11 - #T and ionic strength: -Co+3 + 5NH4+ + Cl- = Co(NH3)5Cl+2 + 5H+ - log_k -17.9584 - delta_h 113.38 kJ - -gamma 0 0 + # log K source: NIST2.1.1 + # Delta H source: MTQ3.11 + #T and ionic strength: +Co+3 + 5 NH4+ + Cl- = Co(NH3)5Cl+2 + 5 H+ + log_k -17.9584 + delta_h 113.38 kJ + -gamma 0 0 # Id: 2014902 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Co+3 + 6NH4+ + Cl- = Co(NH3)6Cl+2 + 6H+ - log_k -33.9179 - delta_h 104.34 kJ - -gamma 0 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Co+3 + 6 NH4+ + Cl- = Co(NH3)6Cl+2 + 6 H+ + log_k -33.9179 + delta_h 104.34 kJ + -gamma 0 0 # Id: 2014903 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Co+3 + 6NH4+ + Br- = Co(NH3)6Br+2 + 6H+ - log_k -33.8884 - delta_h 110.57 kJ - -gamma 0 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Co+3 + 6 NH4+ + Br- = Co(NH3)6Br+2 + 6 H+ + log_k -33.8884 + delta_h 110.57 kJ + -gamma 0 0 # Id: 2014904 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Co+3 + 6NH4+ + I- = Co(NH3)6I+2 + 6H+ - log_k -33.4808 - delta_h 115.44 kJ - -gamma 0 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Co+3 + 6 NH4+ + I- = Co(NH3)6I+2 + 6 H+ + log_k -33.4808 + delta_h 115.44 kJ + -gamma 0 0 # Id: 2014905 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Co+3 + 6NH4+ + SO4-2 = Co(NH3)6SO4+ + 6H+ - log_k -28.9926 - delta_h 124.5 kJ - -gamma 0 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Co+3 + 6 NH4+ + SO4-2 = Co(NH3)6SO4+ + 6 H+ + log_k -28.9926 + delta_h 124.5 kJ + -gamma 0 0 # Id: 2014906 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: -Cr(OH)2+ + 6NH4+ = Cr(NH3)6+3 + 2H2O + 4H+ - log_k -32.8952 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: +Cr(OH)2+ + 6 NH4+ = Cr(NH3)6+3 + 2 H2O + 4 H+ + log_k -32.8952 + delta_h 0 kJ + -gamma 0 0 # Id: 2114900 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 4.50 25.0 -Cr(OH)2+ + 5NH4+ = Cr(NH3)5OH+2 + 4H+ + H2O - log_k -30.2759 - delta_h 0 kJ - -gamma 0 0 +Cr(OH)2+ + 5 NH4+ = Cr(NH3)5OH+2 + 4 H+ + H2O + log_k -30.2759 + delta_h 0 kJ + -gamma 0 0 # Id: 2114901 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Cr(OH)2+ + 6NH4+ + Cl- = Cr(NH3)6Cl+2 + 2H2O + 4H+ - log_k -31.7932 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Cr(OH)2+ + 6 NH4+ + Cl- = Cr(NH3)6Cl+2 + 2 H2O + 4 H+ + log_k -31.7932 + delta_h 0 kJ + -gamma 0 0 # Id: 2114904 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Cr(OH)2+ + 6NH4+ + Br- = Cr(NH3)6Br+2 + 4H+ + 2H2O - log_k -31.887 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Cr(OH)2+ + 6 NH4+ + Br- = Cr(NH3)6Br+2 + 4 H+ + 2 H2O + log_k -31.887 + delta_h 0 kJ + -gamma 0 0 # Id: 2114905 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -Cr(OH)2+ + 6NH4+ + I- = Cr(NH3)6I+2 + 4H+ + 2H2O - log_k -32.008 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +Cr(OH)2+ + 6 NH4+ + I- = Cr(NH3)6I+2 + 4 H+ + 2 H2O + log_k -32.008 + delta_h 0 kJ + -gamma 0 0 # Id: 2114906 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: #Cr(OH)2+ + 4NH4+ = cis+ + 4H+ # log_k -29.8574 # delta_h 0 kJ # -gamma 0 0 # # Id: 4902113 -# # log K source: MTQ3.11 -# # Delta H source: MTQ3.11 -# #T and ionic strength: +# # log K source: MTQ3.11 +# # Delta H source: MTQ3.11 +# #T and ionic strength: #Cr(OH)2+ + 4NH4+ = trans+ + 4H+ # log_k -30.5537 # delta_h 0 kJ # -gamma 0 0 # # Id: 4902114 -# # log K source: MTQ3.11 -# # Delta H source: MTQ3.11 -# #T and ionic strength: +# # log K source: MTQ3.11 +# # Delta H source: MTQ3.11 +# #T and ionic strength: Ca+2 + NH4+ = CaNH3+2 + H+ - log_k -9.144 - delta_h 0 kJ - -gamma 0 0 + log_k -9.144 + delta_h 0 kJ + -gamma 0 0 # Id: 1504901 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 -Ca+2 + 2NH4+ = Ca(NH3)2+2 + 2H+ - log_k -18.788 - delta_h 0 kJ - -gamma 0 0 +Ca+2 + 2 NH4+ = Ca(NH3)2+2 + 2 H+ + log_k -18.788 + delta_h 0 kJ + -gamma 0 0 # Id: 1504902 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Sr+2 + NH4+ = SrNH3+2 + H+ - log_k -9.344 - delta_h 0 kJ - -gamma 0 0 + log_k -9.344 + delta_h 0 kJ + -gamma 0 0 # Id: 8004901 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Ba+2 + NH4+ = BaNH3+2 + H+ - log_k -9.444 - delta_h 0 kJ - -gamma 0 0 + log_k -9.444 + delta_h 0 kJ + -gamma 0 0 # Id: 1004901 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Tl+ + NO2- = TlNO2 - log_k 0.83 - delta_h 0 kJ - -gamma 0 0 + log_k 0.83 + delta_h 0 kJ + -gamma 0 0 # Id: 8704910 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Ag+ + NO2- = AgNO2 - log_k 2.32 - delta_h -29 kJ - -gamma 0 0 + log_k 2.32 + delta_h -29 kJ + -gamma 0 0 # Id: 204911 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ag+ + 2NO2- = Ag(NO2)2- - log_k 2.51 - delta_h -46 kJ - -gamma 0 0 +Ag+ + 2 NO2- = Ag(NO2)2- + log_k 2.51 + delta_h -46 kJ + -gamma 0 0 # Id: 204910 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Cu+2 + NO2- = CuNO2+ - log_k 2.02 - delta_h 0 kJ - -gamma 0 0 + log_k 2.02 + delta_h 0 kJ + -gamma 0 0 # Id: 2314911 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cu+2 + 2NO2- = Cu(NO2)2 - log_k 3.03 - delta_h 0 kJ - -gamma 0 0 +Cu+2 + 2 NO2- = Cu(NO2)2 + log_k 3.03 + delta_h 0 kJ + -gamma 0 0 # Id: 2314912 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Co+2 + NO2- = CoNO2+ - log_k 0.848 - delta_h 0 kJ - -gamma 0 0 + log_k 0.848 + delta_h 0 kJ + -gamma 0 0 # Id: 2004911 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Sn(OH)2 + 2H+ + NO3- = SnNO3+ + 2H2O - log_k 7.942 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + NO3- = SnNO3+ + 2 H2O + log_k 7.942 + delta_h 0 kJ + -gamma 0 0 # Id: 7904921 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 Pb+2 + NO3- = PbNO3+ - log_k 1.17 - delta_h 2 kJ - -gamma 0 0 + log_k 1.17 + delta_h 2 kJ + -gamma 0 0 # Id: 6004920 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Pb+2 + 2NO3- = Pb(NO3)2 - log_k 1.4 - delta_h -6.6 kJ - -gamma 0 0 +Pb+2 + 2 NO3- = Pb(NO3)2 + log_k 1.4 + delta_h -6.6 kJ + -gamma 0 0 # Id: 6004921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Tl+ + NO3- = TlNO3 - log_k 0.33 - delta_h -2 kJ - -gamma 0 0 + log_k 0.33 + delta_h -2 kJ + -gamma 0 0 # Id: 8704920 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Tl(OH)3 + NO3- + 3H+ = TlNO3+2 + 3H2O - log_k 7.0073 - delta_h 0 kJ - -gamma 0 0 +Tl(OH)3 + NO3- + 3 H+ = TlNO3+2 + 3 H2O + log_k 7.0073 + delta_h 0 kJ + -gamma 0 0 # Id: 8714920 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Cd+2 + NO3- = CdNO3+ - log_k 0.5 - delta_h -21 kJ - -gamma 0 0 + log_k 0.5 + delta_h -21 kJ + -gamma 0 0 # Id: 1604920 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -Cd+2 + 2NO3- = Cd(NO3)2 - log_k 0.2 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 2 NO3- = Cd(NO3)2 + log_k 0.2 + delta_h 0 kJ + -gamma 0 0 # Id: 1604921 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + NO3- = HgNO3+ + 2H2O - log_k 5.7613 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + NO3- = HgNO3+ + 2 H2O + log_k 5.7613 + delta_h 0 kJ + -gamma 0 0 # Id: 3614920 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 3.00 25.0 -Hg(OH)2 + 2H+ + 2NO3- = Hg(NO3)2 + 2H2O - log_k 5.38 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 2 NO3- = Hg(NO3)2 + 2 H2O + log_k 5.38 + delta_h 0 kJ + -gamma 0 0 # Id: 3614921 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 3.00 25.0 Cu+2 + NO3- = CuNO3+ - log_k 0.5 - delta_h -4.1 kJ - -gamma 0 0 + log_k 0.5 + delta_h -4.1 kJ + -gamma 0 0 # Id: 2314921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cu+2 + 2NO3- = Cu(NO3)2 - log_k -0.4 - delta_h 0 kJ - -gamma 0 0 +Cu+2 + 2 NO3- = Cu(NO3)2 + log_k -0.4 + delta_h 0 kJ + -gamma 0 0 # Id: 2314922 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Zn+2 + NO3- = ZnNO3+ - log_k 0.4 - delta_h -4.6 kJ - -gamma 0 0 + log_k 0.4 + delta_h -4.6 kJ + -gamma 0 0 # Id: 9504921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Zn+2 + 2NO3- = Zn(NO3)2 - log_k -0.3 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 2 NO3- = Zn(NO3)2 + log_k -0.3 + delta_h 0 kJ + -gamma 0 0 # Id: 9504922 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Ag+ + NO3- = AgNO3 - log_k -0.1 - delta_h 22.6 kJ - -gamma 0 0 + log_k -0.1 + delta_h 22.6 kJ + -gamma 0 0 # Id: 204920 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ni+2 + NO3- = NiNO3+ - log_k 0.4 - delta_h 0 kJ - -gamma 0 0 + log_k 0.4 + delta_h 0 kJ + -gamma 0 0 # Id: 5404921 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Co+2 + NO3- = CoNO3+ - log_k 0.2 - delta_h 0 kJ - -gamma 0 0 + log_k 0.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2004921 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Co+2 + 2NO3- = Co(NO3)2 - log_k 0.5085 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 NO3- = Co(NO3)2 + log_k 0.5085 + delta_h 0 kJ + -gamma 0 0 # Id: 2004922 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Fe+3 + NO3- = FeNO3+2 - log_k 1 - delta_h -37 kJ - -gamma 0 0 + log_k 1 + delta_h -37 kJ + -gamma 0 0 # Id: 2814921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Mn+2 + NO3- = MnNO3+ - log_k 0.2 - delta_h 0 kJ - -gamma 0 0 + log_k 0.2 + delta_h 0 kJ + -gamma 0 0 # Id: 4704921 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Mn+2 + 2NO3- = Mn(NO3)2 - log_k 0.6 - delta_h -1.6569 kJ - -gamma 0 0 +Mn+2 + 2 NO3- = Mn(NO3)2 + log_k 0.6 + delta_h -1.6569 kJ + -gamma 0 0 # Id: 4704920 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cr(OH)2+ + NO3- + 2H+ = CrNO3+2 + 2H2O - log_k 8.2094 - delta_h -65.4378 kJ - -gamma 0 0 +Cr(OH)2+ + NO3- + 2 H+ = CrNO3+2 + 2 H2O + log_k 8.2094 + delta_h -65.4378 kJ + -gamma 0 0 # Id: 2114920 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: UO2+2 + NO3- = UO2NO3+ - log_k 0.3 - delta_h -12 kJ - -gamma 0 0 + log_k 0.3 + delta_h -12 kJ + -gamma 0 0 # Id: 8934921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 VO2+ + NO3- = VO2NO3 - log_k -0.296 - delta_h 0 kJ - -gamma 0 0 + log_k -0.296 + delta_h 0 kJ + -gamma 0 0 # Id: 9034920 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 20.0 Ca+2 + NO3- = CaNO3+ - log_k 0.5 - delta_h -5.4 kJ - -gamma 0 0 + log_k 0.5 + delta_h -5.4 kJ + -gamma 0 0 # Id: 1504921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Sr+2 + NO3- = SrNO3+ - log_k 0.6 - delta_h -10 kJ - -gamma 0 0 + log_k 0.6 + delta_h -10 kJ + -gamma 0 0 # Id: 8004921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ba+2 + NO3- = BaNO3+ - log_k 0.7 - delta_h -13 kJ - -gamma 0 0 + log_k 0.7 + delta_h -13 kJ + -gamma 0 0 # Id: 1004921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 H+ + Cyanide- = HCyanide - log_k 9.21 - delta_h -43.63 kJ - -gamma 0 0 + log_k 9.21 + delta_h -43.63 kJ + -gamma 0 0 # Id: 3301431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Cd+2 + Cyanide- = CdCyanide+ - log_k 6.01 - delta_h -30 kJ - -gamma 0 0 + log_k 6.01 + delta_h -30 kJ + -gamma 0 0 # Id: 1601431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cd+2 + 2Cyanide- = Cd(Cyanide)2 - log_k 11.12 - delta_h -54.3 kJ - -gamma 0 0 +Cd+2 + 2 Cyanide- = Cd(Cyanide)2 + log_k 11.12 + delta_h -54.3 kJ + -gamma 0 0 # Id: 1601432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cd+2 + 3Cyanide- = Cd(Cyanide)3- - log_k 15.65 - delta_h -90.3 kJ - -gamma 0 0 +Cd+2 + 3 Cyanide- = Cd(Cyanide)3- + log_k 15.65 + delta_h -90.3 kJ + -gamma 0 0 # Id: 1601433 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cd+2 + 4Cyanide- = Cd(Cyanide)4-2 - log_k 17.92 - delta_h -112 kJ - -gamma 0 0 +Cd+2 + 4 Cyanide- = Cd(Cyanide)4-2 + log_k 17.92 + delta_h -112 kJ + -gamma 0 0 # Id: 1601434 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + Cyanide- = HgCyanide+ + 2H2O - log_k 23.194 - delta_h -136.72 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + Cyanide- = HgCyanide+ + 2 H2O + log_k 23.194 + delta_h -136.72 kJ + -gamma 0 0 # Id: 3611431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + 2Cyanide- = Hg(Cyanide)2 + 2H2O - log_k 38.944 - delta_h 154.28 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 2 Cyanide- = Hg(Cyanide)2 + 2 H2O + log_k 38.944 + delta_h 154.28 kJ + -gamma 0 0 # Id: 3611432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + 3Cyanide- = Hg(Cyanide)3- + 2H2O - log_k 42.504 - delta_h -262.72 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 3 Cyanide- = Hg(Cyanide)3- + 2 H2O + log_k 42.504 + delta_h -262.72 kJ + -gamma 0 0 # Id: 3611433 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + 4Cyanide- = Hg(Cyanide)4-2 + 2H2O - log_k 45.164 - delta_h -288.72 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 4 Cyanide- = Hg(Cyanide)4-2 + 2 H2O + log_k 45.164 + delta_h -288.72 kJ + -gamma 0 0 # Id: 3611434 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cu+ + 2Cyanide- = Cu(Cyanide)2- - log_k 21.9145 - delta_h -121 kJ - -gamma 0 0 +Cu+ + 2 Cyanide- = Cu(Cyanide)2- + log_k 21.9145 + delta_h -121 kJ + -gamma 0 0 # Id: 2301432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -Cu+ + 3Cyanide- = Cu(Cyanide)3-2 - log_k 27.2145 - delta_h -167.4 kJ - -gamma 0 0 +Cu+ + 3 Cyanide- = Cu(Cyanide)3-2 + log_k 27.2145 + delta_h -167.4 kJ + -gamma 0 0 # Id: 2301433 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cu+ + 4Cyanide- = Cu(Cyanide)4-3 - log_k 28.7145 - delta_h -214.2 kJ - -gamma 0 0 +Cu+ + 4 Cyanide- = Cu(Cyanide)4-3 + log_k 28.7145 + delta_h -214.2 kJ + -gamma 0 0 # Id: 2301431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ag+ + 2Cyanide- = Ag(Cyanide)2- - log_k 20.48 - delta_h -137 kJ - -gamma 0 0 +Ag+ + 2 Cyanide- = Ag(Cyanide)2- + log_k 20.48 + delta_h -137 kJ + -gamma 0 0 # Id: 201432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ag+ + 3Cyanide- = Ag(Cyanide)3-2 - log_k 21.7 - delta_h -140 kJ - -gamma 0 0 +Ag+ + 3 Cyanide- = Ag(Cyanide)3-2 + log_k 21.7 + delta_h -140 kJ + -gamma 0 0 # Id: 201433 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ag+ + H2O + Cyanide- = Ag(Cyanide)OH- + H+ - log_k -0.777 - delta_h 0 kJ - -gamma 0 0 + log_k -0.777 + delta_h 0 kJ + -gamma 0 0 # Id: 201431 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Ni+2 + 4Cyanide- = Ni(Cyanide)4-2 - log_k 30.2 - delta_h -180 kJ - -gamma 0 0 +Ni+2 + 4 Cyanide- = Ni(Cyanide)4-2 + log_k 30.2 + delta_h -180 kJ + -gamma 0 0 # Id: 5401431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ni+2 + 4Cyanide- + H+ = NiH(Cyanide)4- - log_k 36.0289 - delta_h 0 kJ - -gamma 0 0 +Ni+2 + 4 Cyanide- + H+ = NiH(Cyanide)4- + log_k 36.0289 + delta_h 0 kJ + -gamma 0 0 # Id: 5401432 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 -Ni+2 + 4Cyanide- + 2H+ = NiH2Cyanide4 - log_k 40.7434 - delta_h 0 kJ - -gamma 0 0 +Ni+2 + 4 Cyanide- + 2 H+ = NiH2Cyanide4 + log_k 40.7434 + delta_h 0 kJ + -gamma 0 0 # Id: 5401433 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 -Ni+2 + 4Cyanide- + 3H+ = NiH3(Cyanide)4+ - log_k 43.3434 - delta_h 0 kJ - -gamma 0 0 +Ni+2 + 4 Cyanide- + 3 H+ = NiH3(Cyanide)4+ + log_k 43.3434 + delta_h 0 kJ + -gamma 0 0 # Id: 5401434 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 -Co+2 + 3Cyanide- = Co(Cyanide)3- - log_k 14.312 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 3 Cyanide- = Co(Cyanide)3- + log_k 14.312 + delta_h 0 kJ + -gamma 0 0 # Id: 2001431 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 1.00 25.0 -Co+2 + 5Cyanide- = Co(Cyanide)5-3 - log_k 23 - delta_h -257 kJ - -gamma 0 0 +Co+2 + 5 Cyanide- = Co(Cyanide)5-3 + log_k 23 + delta_h -257 kJ + -gamma 0 0 # Id: 2001432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 1.00 25.0 -Fe+2 + 6Cyanide- = Fe(Cyanide)6-4 - log_k 35.4 - delta_h -358 kJ - -gamma 0 0 +Fe+2 + 6 Cyanide- = Fe(Cyanide)6-4 + log_k 35.4 + delta_h -358 kJ + -gamma 0 0 # Id: 2801431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -H+ + Fe+2 + 6Cyanide- = HFe(Cyanide)6-3 - log_k 39.71 - delta_h -356 kJ - -gamma 0 0 +H+ + Fe+2 + 6 Cyanide- = HFe(Cyanide)6-3 + log_k 39.71 + delta_h -356 kJ + -gamma 0 0 # Id: 2801432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -2H+ + Fe+2 + 6Cyanide- = H2Fe(Cyanide)6-2 - log_k 42.11 - delta_h -352 kJ - -gamma 0 0 +2 H+ + Fe+2 + 6 Cyanide- = H2Fe(Cyanide)6-2 + log_k 42.11 + delta_h -352 kJ + -gamma 0 0 # Id: 2801433 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Fe+3 + 6Cyanide- = Fe(Cyanide)6-3 - log_k 43.6 - delta_h -293 kJ - -gamma 0 0 +Fe+3 + 6 Cyanide- = Fe(Cyanide)6-3 + log_k 43.6 + delta_h -293 kJ + -gamma 0 0 # Id: 2811431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -2Fe+3 + 6Cyanide- = Fe2(Cyanide)6 - log_k 47.6355 - delta_h -218 kJ - -gamma 0 0 +2 Fe+3 + 6 Cyanide- = Fe2(Cyanide)6 + log_k 47.6355 + delta_h -218 kJ + -gamma 0 0 # Id: 2811432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 -Sn(OH)2 + Fe+3 + 6Cyanide- + 2H+ = SnFe(Cyanide)6- + 2H2O - log_k 53.54 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + Fe+3 + 6 Cyanide- + 2 H+ = SnFe(Cyanide)6- + 2 H2O + log_k 53.54 + delta_h 0 kJ + -gamma 0 0 # Id: 7901431 - # log K source: Ba1987 - # Delta H source: + # log K source: Ba1987 + # Delta H source: #T and ionic strength: 0.00 25.0 -NH4+ + Fe+2 + 6Cyanide- = NH4Fe(Cyanide)6-3 - log_k 37.7 - delta_h -354 kJ - -gamma 0 0 +NH4+ + Fe+2 + 6 Cyanide- = NH4Fe(Cyanide)6-3 + log_k 37.7 + delta_h -354 kJ + -gamma 0 0 # Id: 4901431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Tl+ + Fe+2 + 6Cyanide- = TlFe(Cyanide)6-3 - log_k 38.4 - delta_h -365.5 kJ - -gamma 0 0 +Tl+ + Fe+2 + 6 Cyanide- = TlFe(Cyanide)6-3 + log_k 38.4 + delta_h -365.5 kJ + -gamma 0 0 # Id: 8701432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Mg+2 + Fe+3 + 6Cyanide- = MgFe(Cyanide)6- - log_k 46.39 - delta_h -290 kJ - -gamma 0 0 +Mg+2 + Fe+3 + 6 Cyanide- = MgFe(Cyanide)6- + log_k 46.39 + delta_h -290 kJ + -gamma 0 0 # Id: 4601431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Mg+2 + Fe+2 + 6Cyanide- = MgFe(Cyanide)6-2 - log_k 39.21 - delta_h -346 kJ - -gamma 0 0 +Mg+2 + Fe+2 + 6 Cyanide- = MgFe(Cyanide)6-2 + log_k 39.21 + delta_h -346 kJ + -gamma 0 0 # Id: 4601432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ca+2 + Fe+3 + 6Cyanide- = CaFe(Cyanide)6- - log_k 46.43 - delta_h -291 kJ - -gamma 0 0 +Ca+2 + Fe+3 + 6 Cyanide- = CaFe(Cyanide)6- + log_k 46.43 + delta_h -291 kJ + -gamma 0 0 # Id: 1501431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ca+2 + Fe+2 + 6Cyanide- = CaFe(Cyanide)6-2 - log_k 39.1 - delta_h -347 kJ - -gamma 0 0 +Ca+2 + Fe+2 + 6 Cyanide- = CaFe(Cyanide)6-2 + log_k 39.1 + delta_h -347 kJ + -gamma 0 0 # Id: 1501432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -2Ca+2 + Fe+2 + 6Cyanide- = Ca2Fe(Cyanide)6 - log_k 40.6 - delta_h -350.201 kJ - -gamma 0 0 +2 Ca+2 + Fe+2 + 6 Cyanide- = Ca2Fe(Cyanide)6 + log_k 40.6 + delta_h -350.201 kJ + -gamma 0 0 # Id: 1501433 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Sr+2 + Fe+3 + 6Cyanide- = SrFe(Cyanide)6- - log_k 46.45 - delta_h -292 kJ - -gamma 0 0 +Sr+2 + Fe+3 + 6 Cyanide- = SrFe(Cyanide)6- + log_k 46.45 + delta_h -292 kJ + -gamma 0 0 # Id: 8001431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Sr+2 + Fe+2 + 6Cyanide- = SrFe(Cyanide)6-2 - log_k 39.1 - delta_h -350 kJ - -gamma 0 0 +Sr+2 + Fe+2 + 6 Cyanide- = SrFe(Cyanide)6-2 + log_k 39.1 + delta_h -350 kJ + -gamma 0 0 # Id: 8001432 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ba+2 + Fe+2 + 6Cyanide- = BaFe(Cyanide)6-2 - log_k 39.19 - delta_h -342 kJ - -gamma 0 0 +Ba+2 + Fe+2 + 6 Cyanide- = BaFe(Cyanide)6-2 + log_k 39.19 + delta_h -342 kJ + -gamma 0 0 # Id: 1001430 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ba+2 + Fe+3 + 6Cyanide- = BaFe(Cyanide)6- - log_k 46.48 - delta_h -292 kJ - -gamma 0 0 +Ba+2 + Fe+3 + 6 Cyanide- = BaFe(Cyanide)6- + log_k 46.48 + delta_h -292 kJ + -gamma 0 0 # Id: 1001431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Na+ + Fe+2 + 6Cyanide- = NaFe(Cyanide)6-3 - log_k 37.6 - delta_h -354 kJ - -gamma 0 0 +Na+ + Fe+2 + 6 Cyanide- = NaFe(Cyanide)6-3 + log_k 37.6 + delta_h -354 kJ + -gamma 0 0 # Id: 5001431 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -K+ + Fe+2 + 6Cyanide- = KFe(Cyanide)6-3 - log_k 37.75 - delta_h -353.9 kJ - -gamma 0 0 +K+ + Fe+2 + 6 Cyanide- = KFe(Cyanide)6-3 + log_k 37.75 + delta_h -353.9 kJ + -gamma 0 0 # Id: 4101433 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -K+ + Fe+3 + 6Cyanide- = KFe(Cyanide)6-2 - log_k 45.04 - delta_h -291 kJ - -gamma 0 0 +K+ + Fe+3 + 6 Cyanide- = KFe(Cyanide)6-2 + log_k 45.04 + delta_h -291 kJ + -gamma 0 0 # Id: 4101430 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 H+ + PO4-3 = HPO4-2 - log_k 12.375 - delta_h -15 kJ - -gamma 5 0 + log_k 12.375 + delta_h -15 kJ + -gamma 5 0 # Id: 3305800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -2H+ + PO4-3 = H2PO4- - log_k 19.573 - delta_h -18 kJ - -gamma 5.4 0 +2 H+ + PO4-3 = H2PO4- + log_k 19.573 + delta_h -18 kJ + -gamma 5.4 0 # Id: 3305801 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -3H+ + PO4-3 = H3PO4 - log_k 21.721 - delta_h -10.1 kJ - -gamma 0 0 +3 H+ + PO4-3 = H3PO4 + log_k 21.721 + delta_h -10.1 kJ + -gamma 0 0 # Id: 3305802 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Co+2 + H+ + PO4-3 = CoHPO4 - log_k 15.4128 - delta_h 0 kJ - -gamma 0 0 + log_k 15.4128 + delta_h 0 kJ + -gamma 0 0 # Id: 2005800 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 -Fe+2 + 2H+ + PO4-3 = FeH2PO4+ - log_k 22.273 - delta_h 0 kJ - -gamma 5.4 0 +Fe+2 + 2 H+ + PO4-3 = FeH2PO4+ + log_k 22.273 + delta_h 0 kJ + -gamma 5.4 0 # Id: 2805800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Fe+2 + H+ + PO4-3 = FeHPO4 - log_k 15.975 - delta_h 0 kJ - -gamma 0 0 + log_k 15.975 + delta_h 0 kJ + -gamma 0 0 # Id: 2805801 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Fe+3 + 2H+ + PO4-3 = FeH2PO4+2 - log_k 23.8515 - delta_h 0 kJ - -gamma 5.4 0 +Fe+3 + 2 H+ + PO4-3 = FeH2PO4+2 + log_k 23.8515 + delta_h 0 kJ + -gamma 5.4 0 # Id: 2815801 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Fe+3 + H+ + PO4-3 = FeHPO4+ - log_k 22.292 - delta_h -30.5432 kJ - -gamma 5.4 0 + log_k 22.292 + delta_h -30.5432 kJ + -gamma 5.4 0 # Id: 2815800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 -Cr(OH)2+ + 4H+ + PO4-3 = CrH2PO4+2 + 2H2O - log_k 31.9068 - delta_h 0 kJ - -gamma 0 0 +Cr(OH)2+ + 4 H+ + PO4-3 = CrH2PO4+2 + 2 H2O + log_k 31.9068 + delta_h 0 kJ + -gamma 0 0 # Id: 2115800 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: U+4 + PO4-3 + H+ = UHPO4+2 - log_k 24.443 - delta_h 31.38 kJ - -gamma 0 0 + log_k 24.443 + delta_h 31.38 kJ + -gamma 0 0 # Id: 8915800 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -U+4 + 2PO4-3 + 2H+ = U(HPO4)2 - log_k 46.833 - delta_h 7.1128 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +U+4 + 2 PO4-3 + 2 H+ = U(HPO4)2 + log_k 46.833 + delta_h 7.1128 kJ + -gamma 0 0 # Id: 8915801 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -U+4 + 3PO4-3 + 3H+ = U(HPO4)3-2 - log_k 67.564 - delta_h -32.6352 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +U+4 + 3 PO4-3 + 3 H+ = U(HPO4)3-2 + log_k 67.564 + delta_h -32.6352 kJ + -gamma 0 0 # Id: 8915802 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -U+4 + 4PO4-3 + 4H+ = U(HPO4)4-4 - log_k 88.483 - delta_h -110.876 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +U+4 + 4 PO4-3 + 4 H+ = U(HPO4)4-4 + log_k 88.483 + delta_h -110.876 kJ + -gamma 0 0 # Id: 8915803 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: UO2+2 + H+ + PO4-3 = UO2HPO4 - log_k 19.655 - delta_h -8.7864 kJ - -gamma 0 0 + log_k 19.655 + delta_h -8.7864 kJ + -gamma 0 0 # Id: 8935800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -UO2+2 + 2PO4-3 + 2H+ = UO2(HPO4)2-2 - log_k 42.988 - delta_h -47.6934 kJ - -gamma 0 0 +UO2+2 + 2 PO4-3 + 2 H+ = UO2(HPO4)2-2 + log_k 42.988 + delta_h -47.6934 kJ + -gamma 0 0 # Id: 8935801 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -UO2+2 + 2H+ + PO4-3 = UO2H2PO4+ - log_k 22.833 - delta_h -15.4808 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +UO2+2 + 2 H+ + PO4-3 = UO2H2PO4+ + log_k 22.833 + delta_h -15.4808 kJ + -gamma 0 0 # Id: 8935802 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -UO2+2 + 2PO4-3 + 4H+ = UO2(H2PO4)2 - log_k 44.7 - delta_h -69.036 kJ - -gamma 0 0 +UO2+2 + 2 PO4-3 + 4 H+ = UO2(H2PO4)2 + log_k 44.7 + delta_h -69.036 kJ + -gamma 0 0 # Id: 8935803 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -UO2+2 + 3PO4-3 + 6H+ = UO2(H2PO4)3- - log_k 66.245 - delta_h -119.662 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +UO2+2 + 3 PO4-3 + 6 H+ = UO2(H2PO4)3- + log_k 66.245 + delta_h -119.662 kJ + -gamma 0 0 # Id: 8935804 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: UO2+2 + PO4-3 = UO2PO4- - log_k 13.25 - delta_h 0 kJ - -gamma 0 0 + log_k 13.25 + delta_h 0 kJ + -gamma 0 0 # Id: 8935805 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Mg+2 + PO4-3 = MgPO4- - log_k 4.654 - delta_h 12.9704 kJ - -gamma 5.4 0 + log_k 4.654 + delta_h 12.9704 kJ + -gamma 5.4 0 # Id: 4605800 - # log K source: SCD3.02 (1993 GMa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1993 GMa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.20 25.0 -Mg+2 + 2H+ + PO4-3 = MgH2PO4+ - log_k 21.2561 - delta_h -4.6861 kJ - -gamma 5.4 0 +Mg+2 + 2 H+ + PO4-3 = MgH2PO4+ + log_k 21.2561 + delta_h -4.6861 kJ + -gamma 5.4 0 # Id: 4605801 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 37.0 Mg+2 + H+ + PO4-3 = MgHPO4 - log_k 15.175 - delta_h -3 kJ - -gamma 0 0 + log_k 15.175 + delta_h -3 kJ + -gamma 0 0 # Id: 4605802 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ca+2 + H+ + PO4-3 = CaHPO4 - log_k 15.035 - delta_h -3 kJ - -gamma 0 0 + log_k 15.035 + delta_h -3 kJ + -gamma 0 0 # Id: 1505800 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ca+2 + PO4-3 = CaPO4- - log_k 6.46 - delta_h 12.9704 kJ - -gamma 5.4 0 + log_k 6.46 + delta_h 12.9704 kJ + -gamma 5.4 0 # Id: 1505801 - # log K source: SCD3.02 (1993 GMa) - # Delta H source: MTQ3.11 + # log K source: SCD3.02 (1993 GMa) + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Ca+2 + 2H+ + PO4-3 = CaH2PO4+ - log_k 20.923 - delta_h -6 kJ - -gamma 5.4 0 +Ca+2 + 2 H+ + PO4-3 = CaH2PO4+ + log_k 20.923 + delta_h -6 kJ + -gamma 5.4 0 # Id: 1505802 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Sr+2 + H+ + PO4-3 = SrHPO4 - log_k 14.8728 - delta_h 0 kJ - -gamma 0 0 + log_k 14.8728 + delta_h 0 kJ + -gamma 0 0 # Id: 8005800 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 -Sr+2 + 2H+ + PO4-3 = SrH2PO4+ - log_k 20.4019 - delta_h 0 kJ - -gamma 0 0 +Sr+2 + 2 H+ + PO4-3 = SrH2PO4+ + log_k 20.4019 + delta_h 0 kJ + -gamma 0 0 # Id: 8005801 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 20.0 Na+ + H+ + PO4-3 = NaHPO4- - log_k 13.445 - delta_h 0 kJ - -gamma 5.4 0 + log_k 13.445 + delta_h 0 kJ + -gamma 5.4 0 # Id: 5005800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 K+ + H+ + PO4-3 = KHPO4- - log_k 13.255 - delta_h 0 kJ - -gamma 5.4 0 + log_k 13.255 + delta_h 0 kJ + -gamma 5.4 0 # Id: 4105800 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -H3AsO3 = AsO3-3 + 3H+ - log_k -34.744 - delta_h 84.726 kJ - -gamma 0 0 +H3AsO3 = AsO3-3 + 3 H+ + log_k -34.744 + delta_h 84.726 kJ + -gamma 0 0 # Id: 3300602 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -H3AsO3 = HAsO3-2 + 2H+ - log_k -21.33 - delta_h 59.4086 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +H3AsO3 = HAsO3-2 + 2 H+ + log_k -21.33 + delta_h 59.4086 kJ + -gamma 0 0 # Id: 3300601 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: H3AsO3 = H2AsO3- + H+ - log_k -9.29 - delta_h 27.41 kJ - -gamma 0 0 + log_k -9.29 + delta_h 27.41 kJ + -gamma 0 0 # Id: 3300600 - # log K source: NIST46.4 - # Delta H source: NIST2.1.1 + # log K source: NIST46.4 + # Delta H source: NIST2.1.1 #T and ionic strength: 0.00 25.0 H3AsO3 + H+ = H4AsO3+ - log_k -0.305 - delta_h 0 kJ - -gamma 0 0 + log_k -0.305 + delta_h 0 kJ + -gamma 0 0 # Id: 3300603 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -H3AsO4 = AsO4-3 + 3H+ - log_k -20.7 - delta_h 12.9 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +H3AsO4 = AsO4-3 + 3 H+ + log_k -20.7 + delta_h 12.9 kJ + -gamma 0 0 # Id: 3300613 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -H3AsO4 = HAsO4-2 + 2H+ - log_k -9.2 - delta_h -4.1 kJ - -gamma 0 0 +H3AsO4 = HAsO4-2 + 2 H+ + log_k -9.2 + delta_h -4.1 kJ + -gamma 0 0 # Id: 3300612 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 H3AsO4 = H2AsO4- + H+ - log_k -2.24 - delta_h -7.1 kJ - -gamma 0 0 + log_k -2.24 + delta_h -7.1 kJ + -gamma 0 0 # Id: 3300611 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Sb(OH)3 + H2O = Sb(OH)4- + H+ - log_k -12.0429 - delta_h 69.8519 kJ - -gamma 0 0 + log_k -12.0429 + delta_h 69.8519 kJ + -gamma 0 0 # Id: 7400020 - # log K source: PNL89 - # Delta H source: PNL89 - #T and ionic strength: + # log K source: PNL89 + # Delta H source: PNL89 + #T and ionic strength: Sb(OH)3 + H+ = Sb(OH)2+ + H2O - log_k 1.3853 - delta_h 0 kJ - -gamma 0 0 + log_k 1.3853 + delta_h 0 kJ + -gamma 0 0 # Id: 7403302 - # log K source: PNL89 - # Delta H source: PNL89 - #T and ionic strength: + # log K source: PNL89 + # Delta H source: PNL89 + #T and ionic strength: Sb(OH)3 = HSbO2 + H2O - log_k -0.0105 - delta_h -0.13 kJ - -gamma 0 0 + log_k -0.0105 + delta_h -0.13 kJ + -gamma 0 0 # Id: 7400021 - # log K source: NIST2.1.1 - # Delta H source: NIST2.1.1 - #T and ionic strength: + # log K source: NIST2.1.1 + # Delta H source: NIST2.1.1 + #T and ionic strength: Sb(OH)3 = SbO2- + H2O + H+ - log_k -11.8011 - delta_h 70.1866 kJ - -gamma 0 0 + log_k -11.8011 + delta_h 70.1866 kJ + -gamma 0 0 # Id: 7403301 - # log K source: PNL89 - # Delta H source: PNL89 - #T and ionic strength: -Sb(OH)3 + H+ = SbO+ + 2H2O - log_k 0.9228 - delta_h 8.2425 kJ - -gamma 0 0 + # log K source: PNL89 + # Delta H source: PNL89 + #T and ionic strength: +Sb(OH)3 + H+ = SbO+ + 2 H2O + log_k 0.9228 + delta_h 8.2425 kJ + -gamma 0 0 # Id: 7403300 - # log K source: PNL89 - # Delta H source: PNL89 - #T and ionic strength: -Sb(OH)6- = SbO3- + 3H2O - log_k 2.9319 - delta_h 0 kJ - -gamma 0 0 + # log K source: PNL89 + # Delta H source: PNL89 + #T and ionic strength: +Sb(OH)6- = SbO3- + 3 H2O + log_k 2.9319 + delta_h 0 kJ + -gamma 0 0 # Id: 7410021 - # log K source: PNL89 - # Delta H source: PNL89 - #T and ionic strength: -Sb(OH)6- + 2H+ = SbO2+ + 4H2O - log_k 2.3895 - delta_h 0 kJ - -gamma 0 0 + # log K source: PNL89 + # Delta H source: PNL89 + #T and ionic strength: +Sb(OH)6- + 2 H+ = SbO2+ + 4 H2O + log_k 2.3895 + delta_h 0 kJ + -gamma 0 0 # Id: 7413300 - # log K source: PNL89 - # Delta H source: PNL89 - #T and ionic strength: + # log K source: PNL89 + # Delta H source: PNL89 + #T and ionic strength: H+ + CO3-2 = HCO3- - log_k 10.329 - delta_h -14.6 kJ - -gamma 5.4 0 + log_k 10.329 + delta_h -14.6 kJ + -gamma 5.4 0 # Id: 3301400 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -2H+ + CO3-2 = H2CO3 - log_k 16.681 - delta_h -23.76 kJ - -gamma 0 0 +2 H+ + CO3-2 = H2CO3 + log_k 16.681 + delta_h -23.76 kJ + -gamma 0 0 # Id: 3301401 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Pb+2 + 2CO3-2 = Pb(CO3)2-2 - log_k 9.938 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 2 CO3-2 = Pb(CO3)2-2 + log_k 9.938 + delta_h 0 kJ + -gamma 0 0 # Id: 6001400 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Pb+2 + CO3-2 = PbCO3 - log_k 6.478 - delta_h 0 kJ - -gamma 0 0 + log_k 6.478 + delta_h 0 kJ + -gamma 0 0 # Id: 6001401 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Pb+2 + CO3-2 + H+ = PbHCO3+ - log_k 13.2 - delta_h 0 kJ - -gamma 0 0 + log_k 13.2 + delta_h 0 kJ + -gamma 0 0 # Id: 6001402 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: Zn+2 + CO3-2 = ZnCO3 - log_k 4.76 - delta_h 0 kJ - -gamma 0 0 + log_k 4.76 + delta_h 0 kJ + -gamma 0 0 # Id: 9501401 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Zn+2 + H+ + CO3-2 = ZnHCO3+ - log_k 11.829 - delta_h 0 kJ - -gamma 0 0 + log_k 11.829 + delta_h 0 kJ + -gamma 0 0 # Id: 9501400 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + CO3-2 = HgCO3 + 2H2O - log_k 18.272 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + CO3-2 = HgCO3 + 2 H2O + log_k 18.272 + delta_h 0 kJ + -gamma 0 0 # Id: 3611401 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 -Hg(OH)2 + 2H+ + 2CO3-2 = Hg(CO3)2-2 + 2H2O - log_k 21.772 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 2 CO3-2 = Hg(CO3)2-2 + 2 H2O + log_k 21.772 + delta_h 0 kJ + -gamma 0 0 # Id: 3611402 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 -Hg(OH)2 + 3H+ + CO3-2 = HgHCO3+ + 2H2O - log_k 22.542 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 3 H+ + CO3-2 = HgHCO3+ + 2 H2O + log_k 22.542 + delta_h 0 kJ + -gamma 0 0 # Id: 3611403 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Cd+2 + CO3-2 = CdCO3 - log_k 4.3578 - delta_h 0 kJ - -gamma 0 0 + log_k 4.3578 + delta_h 0 kJ + -gamma 0 0 # Id: 1601401 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 Cd+2 + H+ + CO3-2 = CdHCO3+ - log_k 10.6863 - delta_h 0 kJ - -gamma 0 0 + log_k 10.6863 + delta_h 0 kJ + -gamma 0 0 # Id: 1601400 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 3.00 25.0 -Cd+2 + 2CO3-2 = Cd(CO3)2-2 - log_k 7.2278 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 2 CO3-2 = Cd(CO3)2-2 + log_k 7.2278 + delta_h 0 kJ + -gamma 0 0 # Id: 1601403 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 20.0 Cu+2 + CO3-2 = CuCO3 - log_k 6.77 - delta_h 0 kJ - -gamma 0 0 + log_k 6.77 + delta_h 0 kJ + -gamma 0 0 # Id: 2311400 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Cu+2 + H+ + CO3-2 = CuHCO3+ - log_k 12.129 - delta_h 0 kJ - -gamma 0 0 + log_k 12.129 + delta_h 0 kJ + -gamma 0 0 # Id: 2311402 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -Cu+2 + 2CO3-2 = Cu(CO3)2-2 - log_k 10.2 - delta_h 0 kJ - -gamma 0 0 +Cu+2 + 2 CO3-2 = Cu(CO3)2-2 + log_k 10.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2311401 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Ni+2 + CO3-2 = NiCO3 - log_k 4.5718 - delta_h 0 kJ - -gamma 0 0 + log_k 4.5718 + delta_h 0 kJ + -gamma 0 0 # Id: 5401401 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.70 25.0 Ni+2 + H+ + CO3-2 = NiHCO3+ - log_k 12.4199 - delta_h 0 kJ - -gamma 0 0 + log_k 12.4199 + delta_h 0 kJ + -gamma 0 0 # Id: 5401400 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.70 25.0 Co+2 + CO3-2 = CoCO3 - log_k 4.228 - delta_h 0 kJ - -gamma 0 0 + log_k 4.228 + delta_h 0 kJ + -gamma 0 0 # Id: 2001400 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 Co+2 + H+ + CO3-2 = CoHCO3+ - log_k 12.2199 - delta_h 0 kJ - -gamma 0 0 + log_k 12.2199 + delta_h 0 kJ + -gamma 0 0 # Id: 2001401 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.70 25.0 Fe+2 + H+ + CO3-2 = FeHCO3+ - log_k 11.429 - delta_h 0 kJ - -gamma 6 0 + log_k 11.429 + delta_h 0 kJ + -gamma 6 0 # Id: 2801400 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Mn+2 + H+ + CO3-2 = MnHCO3+ - log_k 11.629 - delta_h -10.6 kJ - -gamma 5 0 + log_k 11.629 + delta_h -10.6 kJ + -gamma 5 0 # Id: 4701400 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 UO2+2 + CO3-2 = UO2CO3 - log_k 9.6 - delta_h 4 kJ - -gamma 0 0 + log_k 9.6 + delta_h 4 kJ + -gamma 0 0 # Id: 8931400 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -UO2+2 + 2CO3-2 = UO2(CO3)2-2 - log_k 16.9 - delta_h 16 kJ - -gamma 0 0 +UO2+2 + 2 CO3-2 = UO2(CO3)2-2 + log_k 16.9 + delta_h 16 kJ + -gamma 0 0 # Id: 8931401 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -UO2+2 + 3CO3-2 = UO2(CO3)3-4 - log_k 21.6 - delta_h -40 kJ - -gamma 0 0 +UO2+2 + 3 CO3-2 = UO2(CO3)3-4 + log_k 21.6 + delta_h -40 kJ + -gamma 0 0 # Id: 8931402 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Be+2 + CO3-2 = BeCO3 - log_k 6.2546 - delta_h 0 kJ - -gamma 0 0 + log_k 6.2546 + delta_h 0 kJ + -gamma 0 0 # Id: 1101401 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 3.00 25.0 Mg+2 + CO3-2 = MgCO3 - log_k 2.92 - delta_h 12 kJ - -gamma 0 0 + log_k 2.92 + delta_h 12 kJ + -gamma 0 0 # Id: 4601400 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Mg+2 + H+ + CO3-2 = MgHCO3+ - log_k 11.339 - delta_h -10.6 kJ - -gamma 4 0 + log_k 11.339 + delta_h -10.6 kJ + -gamma 4 0 # Id: 4601401 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Ca+2 + H+ + CO3-2 = CaHCO3+ - log_k 11.599 - delta_h 5.4 kJ - -gamma 6 0 + log_k 11.599 + delta_h 5.4 kJ + -gamma 6 0 # Id: 1501400 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 CO3-2 + Ca+2 = CaCO3 - log_k 3.2 - delta_h 16 kJ - -gamma 0 0 + log_k 3.2 + delta_h 16 kJ + -gamma 0 0 # Id: 1501401 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 Sr+2 + CO3-2 = SrCO3 - log_k 2.81 - delta_h 20 kJ - -gamma 0 0 + log_k 2.81 + delta_h 20 kJ + -gamma 0 0 # Id: 8001401 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Sr+2 + H+ + CO3-2 = SrHCO3+ - log_k 11.539 - delta_h 10.4 kJ - -gamma 6 0 + log_k 11.539 + delta_h 10.4 kJ + -gamma 6 0 # Id: 8001400 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ba+2 + CO3-2 = BaCO3 - log_k 2.71 - delta_h 16 kJ - -gamma 0 0 + log_k 2.71 + delta_h 16 kJ + -gamma 0 0 # Id: 1001401 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ba+2 + H+ + CO3-2 = BaHCO3+ - log_k 11.309 - delta_h 10.4 kJ - -gamma 6 0 + log_k 11.309 + delta_h 10.4 kJ + -gamma 6 0 # Id: 1001400 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Na+ + CO3-2 = NaCO3- - log_k 1.27 - delta_h -20.35 kJ - -gamma 5.4 0 + log_k 1.27 + delta_h -20.35 kJ + -gamma 5.4 0 # Id: 5001400 - # log K source: NIST46.3 - # Delta H source: NIST2.1.1 + # log K source: NIST46.3 + # Delta H source: NIST2.1.1 #T and ionic strength: 0.00 25.0 Na+ + H+ + CO3-2 = NaHCO3 - log_k 10.079 - delta_h -28.3301 kJ - -gamma 0 0 + log_k 10.079 + delta_h -28.3301 kJ + -gamma 0 0 # Id: 5001401 - # log K source: NIST46.3 - # Delta H source: NIST2.1.1 + # log K source: NIST46.3 + # Delta H source: NIST2.1.1 #T and ionic strength: 0.00 25.0 -H4SiO4 = H2SiO4-2 + 2H+ - log_k -23.04 - delta_h 61 kJ - -gamma 5.4 0 +H4SiO4 = H2SiO4-2 + 2 H+ + log_k -23.04 + delta_h 61 kJ + -gamma 5.4 0 # Id: 3307701 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 H4SiO4 = H3SiO4- + H+ - log_k -9.84 - delta_h 20 kJ - -gamma 4 0 + log_k -9.84 + delta_h 20 kJ + -gamma 4 0 # Id: 3307700 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 UO2+2 + H4SiO4 = UO2H3SiO4+ + H+ - log_k -1.9111 - delta_h 0 kJ - -gamma 0 0 + log_k -1.9111 + delta_h 0 kJ + -gamma 0 0 # Id: 8937700 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 25.0 H3BO3 = H2BO3- + H+ - log_k -9.236 - delta_h 13 kJ - -gamma 2.5 0 + log_k -9.236 + delta_h 13 kJ + -gamma 2.5 0 # Id: 3300900 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -2H3BO3 = H5(BO3)2- + H+ - log_k -9.306 - delta_h 8.4 kJ - -gamma 2.5 0 +2 H3BO3 = H5(BO3)2- + H+ + log_k -9.306 + delta_h 8.4 kJ + -gamma 2.5 0 # Id: 3300901 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -3H3BO3 = H8(BO3)3- + H+ - log_k -7.306 - delta_h 29.4 kJ - -gamma 2.5 0 +3 H3BO3 = H8(BO3)3- + H+ + log_k -7.306 + delta_h 29.4 kJ + -gamma 2.5 0 # Id: 3300902 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ag+ + H3BO3 = AgH2BO3 + H+ - log_k -8.036 - delta_h 0 kJ - -gamma 2.5 0 + log_k -8.036 + delta_h 0 kJ + -gamma 2.5 0 # Id: 200901 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Mg+2 + H3BO3 = MgH2BO3+ + H+ - log_k -7.696 - delta_h 13 kJ - -gamma 2.5 0 + log_k -7.696 + delta_h 13 kJ + -gamma 2.5 0 # Id: 4600901 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ca+2 + H3BO3 = CaH2BO3+ + H+ - log_k -7.476 - delta_h 17 kJ - -gamma 2.5 0 + log_k -7.476 + delta_h 17 kJ + -gamma 2.5 0 # Id: 1500901 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Sr+2 + H3BO3 = SrH2BO3+ + H+ - log_k -7.686 - delta_h 17 kJ - -gamma 2.5 0 + log_k -7.686 + delta_h 17 kJ + -gamma 2.5 0 # Id: 8000901 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ba+2 + H3BO3 = BaH2BO3+ + H+ - log_k -7.746 - delta_h 17 kJ - -gamma 2.5 0 + log_k -7.746 + delta_h 17 kJ + -gamma 2.5 0 # Id: 1000901 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Na+ + H3BO3 = NaH2BO3 + H+ - log_k -9.036 - delta_h 0 kJ - -gamma 2.5 0 + log_k -9.036 + delta_h 0 kJ + -gamma 2.5 0 # Id: 5000901 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 CrO4-2 + H+ = HCrO4- - log_k 6.51 - delta_h 2 kJ - -gamma 0 0 + log_k 6.51 + delta_h 2 kJ + -gamma 0 0 # Id: 2123300 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -CrO4-2 + 2H+ = H2CrO4 - log_k 6.4188 - delta_h 39 kJ - -gamma 0 0 +CrO4-2 + 2 H+ = H2CrO4 + log_k 6.4188 + delta_h 39 kJ + -gamma 0 0 # Id: 2123301 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 20.0 -2CrO4-2 + 2H+ = Cr2O7-2 + H2O - log_k 14.56 - delta_h -15 kJ - -gamma 0 0 +2 CrO4-2 + 2 H+ = Cr2O7-2 + H2O + log_k 14.56 + delta_h -15 kJ + -gamma 0 0 # Id: 2123302 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -CrO4-2 + Cl- + 2H+ = CrO3Cl- + H2O - log_k 7.3086 - delta_h 0 kJ - -gamma 0 0 +CrO4-2 + Cl- + 2 H+ = CrO3Cl- + H2O + log_k 7.3086 + delta_h 0 kJ + -gamma 0 0 # Id: 2121800 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -CrO4-2 + SO4-2 + 2H+ = CrO3SO4-2 + H2O - log_k 8.9937 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +CrO4-2 + SO4-2 + 2 H+ = CrO3SO4-2 + H2O + log_k 8.9937 + delta_h 0 kJ + -gamma 0 0 # Id: 2127320 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -CrO4-2 + 4H+ + PO4-3 = CrO3H2PO4- + H2O - log_k 29.3634 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +CrO4-2 + 4 H+ + PO4-3 = CrO3H2PO4- + H2O + log_k 29.3634 + delta_h 0 kJ + -gamma 0 0 # Id: 2125800 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -CrO4-2 + 3H+ + PO4-3 = CrO3HPO4-2 + H2O - log_k 26.6806 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +CrO4-2 + 3 H+ + PO4-3 = CrO3HPO4-2 + H2O + log_k 26.6806 + delta_h 0 kJ + -gamma 0 0 # Id: 2125801 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: CrO4-2 + Na+ = NaCrO4- - log_k 0.6963 - delta_h 0 kJ - -gamma 0 0 + log_k 0.6963 + delta_h 0 kJ + -gamma 0 0 # Id: 5002120 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: K+ + CrO4-2 = KCrO4- - log_k 0.57 - delta_h 0 kJ - -gamma 0 0 + log_k 0.57 + delta_h 0 kJ + -gamma 0 0 # Id: 4102120 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 18.0 MoO4-2 + H+ = HMoO4- - log_k 4.2988 - delta_h 20 kJ - -gamma 0 0 + log_k 4.2988 + delta_h 20 kJ + -gamma 0 0 # Id: 3304801 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 20.0 -MoO4-2 + 2H+ = H2MoO4 - log_k 8.1636 - delta_h -26 kJ - -gamma 0 0 +MoO4-2 + 2 H+ = H2MoO4 + log_k 8.1636 + delta_h -26 kJ + -gamma 0 0 # Id: 3304802 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 20.0 -7MoO4-2 + 8H+ = Mo7O24-6 + 4H2O - log_k 52.99 - delta_h -228 kJ - -gamma 0 0 +7 MoO4-2 + 8 H+ = Mo7O24-6 + 4 H2O + log_k 52.99 + delta_h -228 kJ + -gamma 0 0 # Id: 3304803 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -7MoO4-2 + 9H+ = HMo7O24-5 + 4H2O - log_k 59.3768 - delta_h -218 kJ - -gamma 0 0 +7 MoO4-2 + 9 H+ = HMo7O24-5 + 4 H2O + log_k 59.3768 + delta_h -218 kJ + -gamma 0 0 # Id: 3304804 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -7MoO4-2 + 10H+ = H2Mo7O24-4 + 4H2O - log_k 64.159 - delta_h -215 kJ - -gamma 0 0 +7 MoO4-2 + 10 H+ = H2Mo7O24-4 + 4 H2O + log_k 64.159 + delta_h -215 kJ + -gamma 0 0 # Id: 3304805 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -7MoO4-2 + 11H+ = H3Mo7O24-3 + 4H2O - log_k 67.405 - delta_h -217 kJ - -gamma 0 0 +7 MoO4-2 + 11 H+ = H3Mo7O24-3 + 4 H2O + log_k 67.405 + delta_h -217 kJ + -gamma 0 0 # Id: 3304806 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 1.00 25.0 -6MoO4-2 + Al+3 + 6H+ = AlMo6O21-3 + 3H2O - log_k 54.9925 - delta_h 0 kJ - -gamma 0 0 +6 MoO4-2 + Al+3 + 6 H+ = AlMo6O21-3 + 3 H2O + log_k 54.9925 + delta_h 0 kJ + -gamma 0 0 # Id: 304801 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.50 25.0 -MoO4-2 + 2Ag+ = Ag2MoO4 - log_k -0.4219 - delta_h -1.18 kJ - -gamma 0 0 +MoO4-2 + 2 Ag+ = Ag2MoO4 + log_k -0.4219 + delta_h -1.18 kJ + -gamma 0 0 # Id: 204801 - # log K source: Bard85 - # Delta H source: Bard85 - #T and ionic strength: -VO2+ + 2H2O = VO4-3 + 4H+ - log_k -30.2 - delta_h -25 kJ - -gamma 0 0 + # log K source: Bard85 + # Delta H source: Bard85 + #T and ionic strength: +VO2+ + 2 H2O = VO4-3 + 4 H+ + log_k -30.2 + delta_h -25 kJ + -gamma 0 0 # Id: 9033303 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -VO2+ + 2H2O = HVO4-2 + 3H+ - log_k -15.9 - delta_h 0 kJ - -gamma 0 0 +VO2+ + 2 H2O = HVO4-2 + 3 H+ + log_k -15.9 + delta_h 0 kJ + -gamma 0 0 # Id: 9033302 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -VO2+ + 2H2O = H2VO4- + 2H+ - log_k -7.3 - delta_h 0 kJ - -gamma 0 0 +VO2+ + 2 H2O = H2VO4- + 2 H+ + log_k -7.3 + delta_h 0 kJ + -gamma 0 0 # Id: 9033301 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -VO2+ + 2H2O = H3VO4 + H+ - log_k -3.3 - delta_h 44.4759 kJ - -gamma 0 0 +VO2+ + 2 H2O = H3VO4 + H+ + log_k -3.3 + delta_h 44.4759 kJ + -gamma 0 0 # Id: 9033300 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -2VO2+ + 3H2O = V2O7-4 + 6H+ - log_k -31.24 - delta_h -28 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +2 VO2+ + 3 H2O = V2O7-4 + 6 H+ + log_k -31.24 + delta_h -28 kJ + -gamma 0 0 # Id: 9030020 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -2VO2+ + 3H2O = HV2O7-3 + 5H+ - log_k -20.67 - delta_h 0 kJ - -gamma 0 0 +2 VO2+ + 3 H2O = HV2O7-3 + 5 H+ + log_k -20.67 + delta_h 0 kJ + -gamma 0 0 # Id: 9030021 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 -2VO2+ + 3H2O = H3V2O7- + 3H+ - log_k -3.79 - delta_h 0 kJ - -gamma 0 0 +2 VO2+ + 3 H2O = H3V2O7- + 3 H+ + log_k -3.79 + delta_h 0 kJ + -gamma 0 0 # Id: 9030022 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -3VO2+ + 3H2O = V3O9-3 + 6H+ - log_k -15.88 - delta_h 0 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +3 VO2+ + 3 H2O = V3O9-3 + 6 H+ + log_k -15.88 + delta_h 0 kJ + -gamma 0 0 # Id: 9030023 - # log K source: MTQ3.11 - # Delta H source: MTQ3.11 - #T and ionic strength: -4VO2+ + 4H2O = V4O12-4 + 8H+ - log_k -20.56 - delta_h -87 kJ - -gamma 0 0 + # log K source: MTQ3.11 + # Delta H source: MTQ3.11 + #T and ionic strength: +4 VO2+ + 4 H2O = V4O12-4 + 8 H+ + log_k -20.56 + delta_h -87 kJ + -gamma 0 0 # Id: 9030024 - # log K source: NIST46.3 - # Delta H source: NIST46.3 + # log K source: NIST46.3 + # Delta H source: NIST46.3 #T and ionic strength: 0.00 25.0 -10VO2+ + 8H2O = V10O28-6 + 16H+ - log_k -24.0943 - delta_h 0 kJ - -gamma 0 0 +10 VO2+ + 8 H2O = V10O28-6 + 16 H+ + log_k -24.0943 + delta_h 0 kJ + -gamma 0 0 # Id: 9030025 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 20.0 -10VO2+ + 8H2O = HV10O28-5 + 15H+ - log_k -15.9076 - delta_h 90.0397 kJ - -gamma 0 0 +10 VO2+ + 8 H2O = HV10O28-5 + 15 H+ + log_k -15.9076 + delta_h 90.0397 kJ + -gamma 0 0 # Id: 9030026 - # log K source: NIST46.4 - # Delta H source: MTQ3.11 + # log K source: NIST46.4 + # Delta H source: MTQ3.11 #T and ionic strength: 0.10 20.0 -10VO2+ + 8H2O = H2V10O28-4 + 14H+ - log_k -10.7 - delta_h 0 kJ - -gamma 0 0 +10 VO2+ + 8 H2O = H2V10O28-4 + 14 H+ + log_k -10.7 + delta_h 0 kJ + -gamma 0 0 # Id: 9030027 - # log K source: NIST46.3 - # Delta H source: MTQ3.11 + # log K source: NIST46.3 + # Delta H source: MTQ3.11 #T and ionic strength: 0.00 25.0 Benzoate- + H+ = H(Benzoate) - log_k 4.202 - delta_h -0.4602 kJ - -gamma 0 0 + log_k 4.202 + delta_h -0.4602 kJ + -gamma 0 0 # Id: 3309171 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Benzoate- + Pb+2 = Pb(Benzoate)+ - log_k 2.4 - delta_h 0 kJ - -gamma 0 0 + log_k 2.4 + delta_h 0 kJ + -gamma 0 0 # Id: 6009171 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Benzoate- + Al+3 = Al(Benzoate)+2 - log_k 2.05 - delta_h 0 kJ - -gamma 0 0 + log_k 2.05 + delta_h 0 kJ + -gamma 0 0 # Id: 309171 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Benzoate- + Al+3 + H2O = AlOH(Benzoate)+ + H+ - log_k -0.56 - delta_h 0 kJ - -gamma 0 0 + log_k -0.56 + delta_h 0 kJ + -gamma 0 0 # Id: 309172 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Benzoate- + Zn+2 = Zn(Benzoate)+ - log_k 1.7 - delta_h 0 kJ - -gamma 0 0 + log_k 1.7 + delta_h 0 kJ + -gamma 0 0 # Id: 9509171 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Benzoate- + Cd+2 = Cd(Benzoate)+ - log_k 1.8 - delta_h 0 kJ - -gamma 0 0 + log_k 1.8 + delta_h 0 kJ + -gamma 0 0 # Id: 1609171 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2Benzoate- + Cd+2 = Cd(Benzoate)2 - log_k 1.82 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 Benzoate- + Cd+2 = Cd(Benzoate)2 + log_k 1.82 + delta_h 0 kJ + -gamma 0 0 # Id: 1609172 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Benzoate- + Cu+2 = Cu(Benzoate)+ - log_k 2.19 - delta_h 0 kJ - -gamma 0 0 + log_k 2.19 + delta_h 0 kJ + -gamma 0 0 # Id: 2319171 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Benzoate- + Ag+ = Ag(Benzoate) - log_k 0.91 - delta_h 0 kJ - -gamma 0 0 + log_k 0.91 + delta_h 0 kJ + -gamma 0 0 # Id: 209171 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Benzoate- + Ni+2 = Ni(Benzoate)+ - log_k 1.86 - delta_h 0 kJ - -gamma 0 0 + log_k 1.86 + delta_h 0 kJ + -gamma 0 0 # Id: 5409171 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Co+2 + Benzoate- = Co(Benzoate)+ - log_k 1.0537 - delta_h 12 kJ - -gamma 0 0 + log_k 1.0537 + delta_h 12 kJ + -gamma 0 0 # Id: 2009171 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 30.0 Benzoate- + Mn+2 = Mn(Benzoate)+ - log_k 2.06 - delta_h 0 kJ - -gamma 0 0 + log_k 2.06 + delta_h 0 kJ + -gamma 0 0 # Id: 4709171 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Benzoate- + Mg+2 = Mg(Benzoate)+ - log_k 1.26 - delta_h 0 kJ - -gamma 0 0 + log_k 1.26 + delta_h 0 kJ + -gamma 0 0 # Id: 4609171 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Benzoate- + Ca+2 = Ca(Benzoate)+ - log_k 1.55 - delta_h 0 kJ - -gamma 0 0 + log_k 1.55 + delta_h 0 kJ + -gamma 0 0 # Id: 1509171 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Phenylacetate- + H+ = H(Phenylacetate) - log_k 4.31 - delta_h 2.1757 kJ - -gamma 0 0 + log_k 4.31 + delta_h 2.1757 kJ + -gamma 0 0 # Id: 3309181 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Phenylacetate- + Zn+2 = Zn(Phenylacetate)+ - log_k 1.57 - delta_h 0 kJ - -gamma 0 0 + log_k 1.57 + delta_h 0 kJ + -gamma 0 0 # Id: 9509181 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Phenylacetate- + Cu+2 = Cu(Phenylacetate)+ - log_k 1.97 - delta_h 0 kJ - -gamma 0 0 + log_k 1.97 + delta_h 0 kJ + -gamma 0 0 # Id: 2319181 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Phenylacetate- = Co(Phenylacetate)+ - log_k 0.591 - delta_h 0 kJ - -gamma 0 0 + log_k 0.591 + delta_h 0 kJ + -gamma 0 0 # Id: 2009181 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 2.00 25.0 -Co+2 + 2Phenylacetate- = Co(Phenylacetate)2 - log_k 0.4765 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 Phenylacetate- = Co(Phenylacetate)2 + log_k 0.4765 + delta_h 0 kJ + -gamma 0 0 # Id: 2009182 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 2.00 25.0 Isophthalate-2 + H+ = H(Isophthalate)- - log_k 4.5 - delta_h 1.6736 kJ - -gamma 0 0 + log_k 4.5 + delta_h 1.6736 kJ + -gamma 0 0 # Id: 3309201 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Isophthalate-2 + 2H+ = H2(Isophthalate) - log_k 8 - delta_h 1.6736 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Isophthalate-2 + 2 H+ = H2(Isophthalate) + log_k 8 + delta_h 1.6736 kJ + -gamma 0 0 # Id: 3309202 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Isophthalate-2 + Pb+2 = Pb(Isophthalate) - log_k 2.99 - delta_h 0 kJ - -gamma 0 0 + log_k 2.99 + delta_h 0 kJ + -gamma 0 0 # Id: 6009201 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2Isophthalate-2 + Pb+2 = Pb(Isophthalate)2-2 - log_k 4.18 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 Isophthalate-2 + Pb+2 = Pb(Isophthalate)2-2 + log_k 4.18 + delta_h 0 kJ + -gamma 0 0 # Id: 6009202 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Isophthalate-2 + Pb+2 + H+ = PbH(Isophthalate)+ - log_k 6.69 - delta_h 0 kJ - -gamma 0 0 + log_k 6.69 + delta_h 0 kJ + -gamma 0 0 # Id: 6009203 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Isophthalate-2 + Cd+2 = Cd(Isophthalate) - log_k 2.15 - delta_h 0 kJ - -gamma 0 0 + log_k 2.15 + delta_h 0 kJ + -gamma 0 0 # Id: 1609201 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2Isophthalate-2 + Cd+2 = Cd(Isophthalate)2-2 - log_k 2.99 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 Isophthalate-2 + Cd+2 = Cd(Isophthalate)2-2 + log_k 2.99 + delta_h 0 kJ + -gamma 0 0 # Id: 1609202 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Isophthalate-2 + Cd+2 + H+ = CdH(Isophthalate)+ - log_k 5.73 - delta_h 0 kJ - -gamma 0 0 + log_k 5.73 + delta_h 0 kJ + -gamma 0 0 # Id: 1609203 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Isophthalate-2 + Ca+2 = Ca(Isophthalate) - log_k 2 - delta_h 0 kJ - -gamma 0 0 + log_k 2 + delta_h 0 kJ + -gamma 0 0 # Id: 1509200 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Isophthalate-2 + Ba+2 = Ba(Isophthalate) - log_k 1.55 - delta_h 0 kJ - -gamma 0 0 + log_k 1.55 + delta_h 0 kJ + -gamma 0 0 # Id: 1009201 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Diethylamine = H(Diethylamine)+ - log_k 10.933 - delta_h -53.1368 kJ - -gamma 0 0 + log_k 10.933 + delta_h -53.1368 kJ + -gamma 0 0 # Id: 3309551 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Diethylamine = Zn(Diethylamine)+2 - log_k 2.74 - delta_h 0 kJ - -gamma 0 0 + log_k 2.74 + delta_h 0 kJ + -gamma 0 0 # Id: 9509551 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 2Diethylamine = Zn(Diethylamine)2+2 - log_k 5.27 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 2 Diethylamine = Zn(Diethylamine)2+2 + log_k 5.27 + delta_h 0 kJ + -gamma 0 0 # Id: 9509552 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 3Diethylamine = Zn(Diethylamine)3+2 - log_k 7.71 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 3 Diethylamine = Zn(Diethylamine)3+2 + log_k 7.71 + delta_h 0 kJ + -gamma 0 0 # Id: 9509553 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 4Diethylamine = Zn(Diethylamine)4+2 - log_k 9.84 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 4 Diethylamine = Zn(Diethylamine)4+2 + log_k 9.84 + delta_h 0 kJ + -gamma 0 0 # Id: 9509554 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Cd+2 + Diethylamine = Cd(Diethylamine)+2 - log_k 2.73 - delta_h 0 kJ - -gamma 0 0 + log_k 2.73 + delta_h 0 kJ + -gamma 0 0 # Id: 1609551 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 2Diethylamine = Cd(Diethylamine)2+2 - log_k 4.86 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 2 Diethylamine = Cd(Diethylamine)2+2 + log_k 4.86 + delta_h 0 kJ + -gamma 0 0 # Id: 1609552 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 3Diethylamine = Cd(Diethylamine)3+2 - log_k 6.37 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 3 Diethylamine = Cd(Diethylamine)3+2 + log_k 6.37 + delta_h 0 kJ + -gamma 0 0 # Id: 1609553 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 4Diethylamine = Cd(Diethylamine)4+2 - log_k 7.32 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 4 Diethylamine = Cd(Diethylamine)4+2 + log_k 7.32 + delta_h 0 kJ + -gamma 0 0 # Id: 1609554 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Ag+ + Diethylamine = Ag(Diethylamine)+ - log_k 2.98 - delta_h 0 kJ - -gamma 0 0 + log_k 2.98 + delta_h 0 kJ + -gamma 0 0 # Id: 209551 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Diethylamine = Ag(Diethylamine)2+ - log_k 6.38 - delta_h -44.7688 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Diethylamine = Ag(Diethylamine)2+ + log_k 6.38 + delta_h -44.7688 kJ + -gamma 0 0 # Id: 209552 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Diethylamine = Ni(Diethylamine)+2 - log_k 2.78 - delta_h 0 kJ - -gamma 0 0 + log_k 2.78 + delta_h 0 kJ + -gamma 0 0 # Id: 5409551 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 2Diethylamine = Ni(Diethylamine)2+2 - log_k 4.97 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 2 Diethylamine = Ni(Diethylamine)2+2 + log_k 4.97 + delta_h 0 kJ + -gamma 0 0 # Id: 5409552 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 3Diethylamine = Ni(Diethylamine)3+2 - log_k 6.72 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 3 Diethylamine = Ni(Diethylamine)3+2 + log_k 6.72 + delta_h 0 kJ + -gamma 0 0 # Id: 5409553 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 4Diethylamine = Ni(Diethylamine)4+2 - log_k 7.93 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 4 Diethylamine = Ni(Diethylamine)4+2 + log_k 7.93 + delta_h 0 kJ + -gamma 0 0 # Id: 5409554 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 5Diethylamine = Ni(Diethylamine)5+2 - log_k 8.87 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 5 Diethylamine = Ni(Diethylamine)5+2 + log_k 8.87 + delta_h 0 kJ + -gamma 0 0 # Id: 5409555 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: H+ + Butylamine = H(Butylamine)+ - log_k 10.64 - delta_h -58.2831 kJ - -gamma 0 0 + log_k 10.64 + delta_h -58.2831 kJ + -gamma 0 0 # Id: 3309561 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Butylamine + 2H+ = Hg(Butylamine)+2 + 2H2O - log_k 14.84 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Butylamine + 2 H+ = Hg(Butylamine)+2 + 2 H2O + log_k 14.84 + delta_h 0 kJ + -gamma 0 0 # Id: 3619561 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + 2Butylamine + 2H+ = Hg(Butylamine)2+2 + 2H2O - log_k 24.24 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + 2 Butylamine + 2 H+ = Hg(Butylamine)2+2 + 2 H2O + log_k 24.24 + delta_h 0 kJ + -gamma 0 0 # Id: 3619562 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + 3Butylamine + 2H+ = Hg(Butylamine)3+2 + 2H2O - log_k 25.1 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + 3 Butylamine + 2 H+ = Hg(Butylamine)3+2 + 2 H2O + log_k 25.1 + delta_h 0 kJ + -gamma 0 0 # Id: 3619563 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + 4Butylamine + 2H+ = Hg(Butylamine)4+2 + 2H2O - log_k 26.1 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + 4 Butylamine + 2 H+ = Hg(Butylamine)4+2 + 2 H2O + log_k 26.1 + delta_h 0 kJ + -gamma 0 0 # Id: 3619564 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Butylamine = Ag(Butylamine)+ - log_k 3.42 - delta_h -16.736 kJ - -gamma 0 0 + log_k 3.42 + delta_h -16.736 kJ + -gamma 0 0 # Id: 209561 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Butylamine = Ag(Butylamine)2+ - log_k 7.47 - delta_h -52.7184 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Butylamine = Ag(Butylamine)2+ + log_k 7.47 + delta_h -52.7184 kJ + -gamma 0 0 # Id: 209562 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Methylamine = H(Methylamine)+ - log_k 10.64 - delta_h -55.2288 kJ - -gamma 0 0 + log_k 10.64 + delta_h -55.2288 kJ + -gamma 0 0 # Id: 3309581 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Methylamine = Cd(Methylamine)+2 - log_k 2.75 - delta_h 0 kJ - -gamma 0 0 + log_k 2.75 + delta_h 0 kJ + -gamma 0 0 # Id: 1609581 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 2Methylamine = Cd(Methylamine)2+2 - log_k 4.81 - delta_h -29.288 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 2 Methylamine = Cd(Methylamine)2+2 + log_k 4.81 + delta_h -29.288 kJ + -gamma 0 0 # Id: 1609582 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 3Methylamine = Cd(Methylamine)3+2 - log_k 5.94 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 3 Methylamine = Cd(Methylamine)3+2 + log_k 5.94 + delta_h 0 kJ + -gamma 0 0 # Id: 1609583 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 4Methylamine = Cd(Methylamine)4+2 - log_k 6.55 - delta_h -58.576 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 4 Methylamine = Cd(Methylamine)4+2 + log_k 6.55 + delta_h -58.576 kJ + -gamma 0 0 # Id: 1609584 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Methylamine + 2H+ = Hg(Methylamine)+2 + 2H2O - log_k 14.76 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Methylamine + 2 H+ = Hg(Methylamine)+2 + 2 H2O + log_k 14.76 + delta_h 0 kJ + -gamma 0 0 # Id: 3619581 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + 2Methylamine + 2H+ = Hg(Methylamine)2+2 + 2H2O - log_k 23.96 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + 2 Methylamine + 2 H+ = Hg(Methylamine)2+2 + 2 H2O + log_k 23.96 + delta_h 0 kJ + -gamma 0 0 # Id: 3619582 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + 3Methylamine + 2H+ = Hg(Methylamine)3+2 + 2H2O - log_k 24.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + 3 Methylamine + 2 H+ = Hg(Methylamine)3+2 + 2 H2O + log_k 24.3 + delta_h 0 kJ + -gamma 0 0 # Id: 3619583 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + 4Methylamine + 2H+ = Hg(Methylamine)4+2 + 2H2O - log_k 24.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + 4 Methylamine + 2 H+ = Hg(Methylamine)4+2 + 2 H2O + log_k 24.6 + delta_h 0 kJ + -gamma 0 0 # Id: 3619584 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Methylamine = Cu(Methylamine)+2 - log_k 4.11 - delta_h 0 kJ - -gamma 0 0 + log_k 4.11 + delta_h 0 kJ + -gamma 0 0 # Id: 2319581 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Methylamine = Cu(Methylamine)2+2 - log_k 7.51 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Methylamine = Cu(Methylamine)2+2 + log_k 7.51 + delta_h 0 kJ + -gamma 0 0 # Id: 2319582 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 3Methylamine = Cu(Methylamine)3+2 - log_k 10.21 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 3 Methylamine = Cu(Methylamine)3+2 + log_k 10.21 + delta_h 0 kJ + -gamma 0 0 # Id: 2319583 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 4Methylamine = Cu(Methylamine)4+2 - log_k 12.08 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 4 Methylamine = Cu(Methylamine)4+2 + log_k 12.08 + delta_h 0 kJ + -gamma 0 0 # Id: 2319584 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Methylamine = Ag(Methylamine)+ - log_k 3.07 - delta_h -12.552 kJ - -gamma 0 0 + log_k 3.07 + delta_h -12.552 kJ + -gamma 0 0 # Id: 209581 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Methylamine = Ag(Methylamine)2+ - log_k 6.89 - delta_h -48.9528 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Methylamine = Ag(Methylamine)2+ + log_k 6.89 + delta_h -48.9528 kJ + -gamma 0 0 # Id: 209582 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Methylamine = Ni(Methylamine)+2 - log_k 2.23 - delta_h 0 kJ - -gamma 0 0 + log_k 2.23 + delta_h 0 kJ + -gamma 0 0 # Id: 5409581 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Dimethylamine = H(Dimethylamine)+ - log_k 10.774 - delta_h -50.208 kJ - -gamma 0 0 + log_k 10.774 + delta_h -50.208 kJ + -gamma 0 0 # Id: 3309591 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Dimethylamine = Ag(Dimethylamine)2+ - log_k 5.37 - delta_h -40.5848 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Dimethylamine = Ag(Dimethylamine)2+ + log_k 5.37 + delta_h -40.5848 kJ + -gamma 0 0 # Id: 209591 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Dimethylamine = Ni(Dimethylamine)+2 - log_k 1.47 - delta_h 0 kJ - -gamma 0 0 + log_k 1.47 + delta_h 0 kJ + -gamma 0 0 # Id: 5409591 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Hexylamine = H(Hexylamine)+ - log_k 10.63 - delta_h -58.576 kJ - -gamma 0 0 + log_k 10.63 + delta_h -58.576 kJ + -gamma 0 0 # Id: 3309611 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Hexylamine = Ag(Hexylamine)+ - log_k 3.54 - delta_h -25.104 kJ - -gamma 0 0 + log_k 3.54 + delta_h -25.104 kJ + -gamma 0 0 # Id: 209611 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Hexylamine = Ag(Hexylamine)2+ - log_k 7.55 - delta_h -53.1368 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Hexylamine = Ag(Hexylamine)2+ + log_k 7.55 + delta_h -53.1368 kJ + -gamma 0 0 # Id: 209612 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Ethylenediamine = H(Ethylenediamine)+ - log_k 9.928 - delta_h -49.7896 kJ - -gamma 0 0 + log_k 9.928 + delta_h -49.7896 kJ + -gamma 0 0 # Id: 3309631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2H+ + Ethylenediamine = H2(Ethylenediamine)+2 - log_k 16.776 - delta_h -95.3952 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 H+ + Ethylenediamine = H2(Ethylenediamine)+2 + log_k 16.776 + delta_h -95.3952 kJ + -gamma 0 0 # Id: 3309632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Ethylenediamine = Pb(Ethylenediamine)+2 - log_k 5.04 - delta_h 0 kJ - -gamma 0 0 + log_k 5.04 + delta_h 0 kJ + -gamma 0 0 # Id: 6009631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Pb+2 + 2Ethylenediamine = Pb(Ethylenediamine)2+2 - log_k 8.5 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Pb+2 + 2 Ethylenediamine = Pb(Ethylenediamine)2+2 + log_k 8.5 + delta_h 0 kJ + -gamma 0 0 # Id: 6009632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Ethylenediamine = Zn(Ethylenediamine)+2 - log_k 5.66 - delta_h -29.288 kJ - -gamma 0 0 + log_k 5.66 + delta_h -29.288 kJ + -gamma 0 0 # Id: 9509631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 2Ethylenediamine = Zn(Ethylenediamine)2+2 - log_k 10.6 - delta_h -48.116 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 2 Ethylenediamine = Zn(Ethylenediamine)2+2 + log_k 10.6 + delta_h -48.116 kJ + -gamma 0 0 # Id: 9509632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 3Ethylenediamine = Zn(Ethylenediamine)3+2 - log_k 13.9 - delta_h -71.5464 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 3 Ethylenediamine = Zn(Ethylenediamine)3+2 + log_k 13.9 + delta_h -71.5464 kJ + -gamma 0 0 # Id: 9509633 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Ethylenediamine = Cd(Ethylenediamine)+2 - log_k 5.41 - delta_h -28.4512 kJ - -gamma 0 0 + log_k 5.41 + delta_h -28.4512 kJ + -gamma 0 0 # Id: 1609631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 2Ethylenediamine = Cd(Ethylenediamine)2+2 - log_k 9.9 - delta_h -55.6472 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 2 Ethylenediamine = Cd(Ethylenediamine)2+2 + log_k 9.9 + delta_h -55.6472 kJ + -gamma 0 0 # Id: 1609632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 3Ethylenediamine = Cd(Ethylenediamine)3+2 - log_k 11.6 - delta_h -82.4248 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 3 Ethylenediamine = Cd(Ethylenediamine)3+2 + log_k 11.6 + delta_h -82.4248 kJ + -gamma 0 0 # Id: 1609633 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Ethylenediamine + 2H+ = Hg(Ethylenediamine)+2 + 2H2O - log_k 20.4 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Ethylenediamine + 2 H+ = Hg(Ethylenediamine)+2 + 2 H2O + log_k 20.4 + delta_h 0 kJ + -gamma 0 0 # Id: 3619631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + 2Ethylenediamine + 2H+ = Hg(Ethylenediamine)2+2 + 2H2O - log_k 29.3 - delta_h -173.218 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + 2 Ethylenediamine + 2 H+ = Hg(Ethylenediamine)2+2 + 2 H2O + log_k 29.3 + delta_h -173.218 kJ + -gamma 0 0 # Id: 3619632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + 2Ethylenediamine + 3H+ = HgH(Ethylenediamine)2+3 + 2H2O - log_k 34.7 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + 2 Ethylenediamine + 3 H+ = HgH(Ethylenediamine)2+3 + 2 H2O + log_k 34.7 + delta_h 0 kJ + -gamma 0 0 # Id: 3619633 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+ + 2Ethylenediamine = Cu(Ethylenediamine)2+ - log_k 11.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+ + 2 Ethylenediamine = Cu(Ethylenediamine)2+ + log_k 11.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2309631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Ethylenediamine = Cu(Ethylenediamine)+2 - log_k 10.5 - delta_h -52.7184 kJ - -gamma 0 0 + log_k 10.5 + delta_h -52.7184 kJ + -gamma 0 0 # Id: 2319631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Ethylenediamine = Cu(Ethylenediamine)2+2 - log_k 19.6 - delta_h -105.437 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Ethylenediamine = Cu(Ethylenediamine)2+2 + log_k 19.6 + delta_h -105.437 kJ + -gamma 0 0 # Id: 2319632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Ethylenediamine = Ag(Ethylenediamine)+ - log_k 4.6 - delta_h -48.9528 kJ - -gamma 0 0 + log_k 4.6 + delta_h -48.9528 kJ + -gamma 0 0 # Id: 209631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Ethylenediamine = Ag(Ethylenediamine)2+ - log_k 7.5 - delta_h -52.3 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Ethylenediamine = Ag(Ethylenediamine)2+ + log_k 7.5 + delta_h -52.3 kJ + -gamma 0 0 # Id: 209632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Ethylenediamine + H+ = AgH(Ethylenediamine)+2 - log_k 11.99 - delta_h -75.312 kJ - -gamma 0 0 + log_k 11.99 + delta_h -75.312 kJ + -gamma 0 0 # Id: 209633 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2Ag+ + Ethylenediamine = Ag2(Ethylenediamine)+2 - log_k 6.5 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 Ag+ + Ethylenediamine = Ag2(Ethylenediamine)+2 + log_k 6.5 + delta_h 0 kJ + -gamma 0 0 # Id: 209634 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2Ag+ + 2Ethylenediamine = Ag2(Ethylenediamine)2+2 - log_k 12.7 - delta_h -97.0688 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 Ag+ + 2 Ethylenediamine = Ag2(Ethylenediamine)2+2 + log_k 12.7 + delta_h -97.0688 kJ + -gamma 0 0 # Id: 209635 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Ethylenediamine + 2H+ = Ag(HEthylenediamine)2+3 - log_k 24 - delta_h -150.206 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Ethylenediamine + 2 H+ = Ag(HEthylenediamine)2+3 + log_k 24 + delta_h -150.206 kJ + -gamma 0 0 # Id: 209636 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Ethylenediamine + H+ = AgH(Ethylenediamine)2+2 - log_k 8.4 - delta_h -47.6976 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Ethylenediamine + H+ = AgH(Ethylenediamine)2+2 + log_k 8.4 + delta_h -47.6976 kJ + -gamma 0 0 # Id: 209637 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Ethylenediamine = Ni(Ethylenediamine)+2 - log_k 7.32 - delta_h -37.656 kJ - -gamma 0 0 + log_k 7.32 + delta_h -37.656 kJ + -gamma 0 0 # Id: 5409631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 2Ethylenediamine = Ni(Ethylenediamine)2+2 - log_k 13.5 - delta_h -76.5672 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 2 Ethylenediamine = Ni(Ethylenediamine)2+2 + log_k 13.5 + delta_h -76.5672 kJ + -gamma 0 0 # Id: 5409632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 3Ethylenediamine = Ni(Ethylenediamine)3+2 - log_k 17.6 - delta_h -117.152 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 3 Ethylenediamine = Ni(Ethylenediamine)3+2 + log_k 17.6 + delta_h -117.152 kJ + -gamma 0 0 # Id: 5409633 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Ethylenediamine = Co(Ethylenediamine)+2 - log_k 5.5 - delta_h -28 kJ - -gamma 0 0 + log_k 5.5 + delta_h -28 kJ + -gamma 0 0 # Id: 2009631 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -Co+2 + 2Ethylenediamine = Co(Ethylenediamine)2+2 - log_k 10.1 - delta_h -58.5 kJ - -gamma 0 0 +Co+2 + 2 Ethylenediamine = Co(Ethylenediamine)2+2 + log_k 10.1 + delta_h -58.5 kJ + -gamma 0 0 # Id: 2009632 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -Co+2 + 3Ethylenediamine = Co(Ethylenediamine)3+2 - log_k 13.2 - delta_h -92.8 kJ - -gamma 0 0 +Co+2 + 3 Ethylenediamine = Co(Ethylenediamine)3+2 + log_k 13.2 + delta_h -92.8 kJ + -gamma 0 0 # Id: 2009633 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -Co+3 + 2Ethylenediamine = Co(Ethylenediamine)2+3 - log_k 34.7 - delta_h 0 kJ - -gamma 0 0 +Co+3 + 2 Ethylenediamine = Co(Ethylenediamine)2+3 + log_k 34.7 + delta_h 0 kJ + -gamma 0 0 # Id: 2019631 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 25.0 -Co+3 + 3Ethylenediamine = Co(Ethylenediamine)3+3 - log_k 48.69 - delta_h 0 kJ - -gamma 0 0 +Co+3 + 3 Ethylenediamine = Co(Ethylenediamine)3+3 + log_k 48.69 + delta_h 0 kJ + -gamma 0 0 # Id: 2019632 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.50 30.0 Fe+2 + Ethylenediamine = Fe(Ethylenediamine)+2 - log_k 4.26 - delta_h 0 kJ - -gamma 0 0 + log_k 4.26 + delta_h 0 kJ + -gamma 0 0 # Id: 2809631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Fe+2 + 2Ethylenediamine = Fe(Ethylenediamine)2+2 - log_k 7.73 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Fe+2 + 2 Ethylenediamine = Fe(Ethylenediamine)2+2 + log_k 7.73 + delta_h 0 kJ + -gamma 0 0 # Id: 2809632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Fe+2 + 3Ethylenediamine = Fe(Ethylenediamine)3+2 - log_k 10.17 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Fe+2 + 3 Ethylenediamine = Fe(Ethylenediamine)3+2 + log_k 10.17 + delta_h 0 kJ + -gamma 0 0 # Id: 2809633 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mn+2 + Ethylenediamine = Mn(Ethylenediamine)+2 - log_k 2.74 - delta_h -11.7152 kJ - -gamma 0 0 + log_k 2.74 + delta_h -11.7152 kJ + -gamma 0 0 # Id: 4709631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Mn+2 + 2Ethylenediamine = Mn(Ethylenediamine)2+2 - log_k 4.8 - delta_h -25.104 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Mn+2 + 2 Ethylenediamine = Mn(Ethylenediamine)2+2 + log_k 4.8 + delta_h -25.104 kJ + -gamma 0 0 # Id: 4709632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cr(OH)2+ + 2Ethylenediamine + 2H+ = Cr(Ethylenediamine)2+3 + 2H2O - log_k 22.57 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cr(OH)2+ + 2 Ethylenediamine + 2 H+ = Cr(Ethylenediamine)2+3 + 2 H2O + log_k 22.57 + delta_h 0 kJ + -gamma 0 0 # Id: 2119631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cr(OH)2+ + 3Ethylenediamine + 2H+ = Cr(Ethylenediamine)3+3 + 2H2O - log_k 29 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cr(OH)2+ + 3 Ethylenediamine + 2 H+ = Cr(Ethylenediamine)3+3 + 2 H2O + log_k 29 + delta_h 0 kJ + -gamma 0 0 # Id: 2119632 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mg+2 + Ethylenediamine = Mg(Ethylenediamine)+2 - log_k 0.37 - delta_h 0 kJ - -gamma 0 0 + log_k 0.37 + delta_h 0 kJ + -gamma 0 0 # Id: 4609631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Ethylenediamine = Ca(Ethylenediamine)+2 - log_k 0.11 - delta_h 0 kJ - -gamma 0 0 + log_k 0.11 + delta_h 0 kJ + -gamma 0 0 # Id: 1509631 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Propylamine = H(Propylamine)+ - log_k 10.566 - delta_h -57.53 kJ - -gamma 0 0 + log_k 10.566 + delta_h -57.53 kJ + -gamma 0 0 # Id: 3309641 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Propylamine = Zn(Propylamine)+2 - log_k 2.42 - delta_h 0 kJ - -gamma 0 0 + log_k 2.42 + delta_h 0 kJ + -gamma 0 0 # Id: 9509641 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 2Propylamine = Zn(Propylamine)2+2 - log_k 4.85 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 2 Propylamine = Zn(Propylamine)2+2 + log_k 4.85 + delta_h 0 kJ + -gamma 0 0 # Id: 9509642 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 3Propylamine = Zn(Propylamine)3+2 - log_k 7.38 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 3 Propylamine = Zn(Propylamine)3+2 + log_k 7.38 + delta_h 0 kJ + -gamma 0 0 # Id: 9509643 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 4Propylamine = Zn(Propylamine)4+2 - log_k 9.49 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 4 Propylamine = Zn(Propylamine)4+2 + log_k 9.49 + delta_h 0 kJ + -gamma 0 0 # Id: 9509644 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Cd+2 + Propylamine = Cd(Propylamine)+2 - log_k 2.62 - delta_h 0 kJ - -gamma 0 0 + log_k 2.62 + delta_h 0 kJ + -gamma 0 0 # Id: 1609641 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 2Propylamine = Cd(Propylamine)2+2 - log_k 4.64 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 2 Propylamine = Cd(Propylamine)2+2 + log_k 4.64 + delta_h 0 kJ + -gamma 0 0 # Id: 1609642 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 3Propylamine = Cd(Propylamine)3+2 - log_k 6.03 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 3 Propylamine = Cd(Propylamine)3+2 + log_k 6.03 + delta_h 0 kJ + -gamma 0 0 # Id: 1609643 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Ag+ + Propylamine = Ag(Propylamine)+ - log_k 3.45 - delta_h -12.552 kJ - -gamma 0 0 + log_k 3.45 + delta_h -12.552 kJ + -gamma 0 0 # Id: 209641 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Propylamine = Ag(Propylamine)2+ - log_k 7.44 - delta_h -53.1368 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Propylamine = Ag(Propylamine)2+ + log_k 7.44 + delta_h -53.1368 kJ + -gamma 0 0 # Id: 209642 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Propylamine = Ni(Propylamine)+2 - log_k 2.81 - delta_h 0 kJ - -gamma 0 0 + log_k 2.81 + delta_h 0 kJ + -gamma 0 0 # Id: 5409641 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 2Propylamine = Ni(Propylamine)2+2 - log_k 5.02 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 2 Propylamine = Ni(Propylamine)2+2 + log_k 5.02 + delta_h 0 kJ + -gamma 0 0 # Id: 5409642 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 3Propylamine = Ni(Propylamine)3+2 - log_k 6.79 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 3 Propylamine = Ni(Propylamine)3+2 + log_k 6.79 + delta_h 0 kJ + -gamma 0 0 # Id: 5409643 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 4Propylamine = Ni(Propylamine)4+2 - log_k 8.31 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 4 Propylamine = Ni(Propylamine)4+2 + log_k 8.31 + delta_h 0 kJ + -gamma 0 0 # Id: 5409644 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: H+ + Isopropylamine = H(Isopropylamine)+ - log_k 10.67 - delta_h -58.3668 kJ - -gamma 0 0 + log_k 10.67 + delta_h -58.3668 kJ + -gamma 0 0 # Id: 3309651 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Isopropylamine = Zn(Isopropylamine)+2 - log_k 2.37 - delta_h 0 kJ - -gamma 0 0 + log_k 2.37 + delta_h 0 kJ + -gamma 0 0 # Id: 9509651 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 2Isopropylamine = Zn(Isopropylamine)2+2 - log_k 4.67 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 2 Isopropylamine = Zn(Isopropylamine)2+2 + log_k 4.67 + delta_h 0 kJ + -gamma 0 0 # Id: 9509652 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 3Isopropylamine = Zn(Isopropylamine)3+2 - log_k 7.14 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 3 Isopropylamine = Zn(Isopropylamine)3+2 + log_k 7.14 + delta_h 0 kJ + -gamma 0 0 # Id: 9509653 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 4Isopropylamine = Zn(Isopropylamine)4+2 - log_k 9.44 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 4 Isopropylamine = Zn(Isopropylamine)4+2 + log_k 9.44 + delta_h 0 kJ + -gamma 0 0 # Id: 9509654 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Cd+2 + Isopropylamine = Cd(Isopropylamine)+2 - log_k 2.55 - delta_h 0 kJ - -gamma 0 0 + log_k 2.55 + delta_h 0 kJ + -gamma 0 0 # Id: 1609651 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 2Isopropylamine = Cd(Isopropylamine)2+2 - log_k 4.57 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 2 Isopropylamine = Cd(Isopropylamine)2+2 + log_k 4.57 + delta_h 0 kJ + -gamma 0 0 # Id: 1609652 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 3Isopropylamine = Cd(Isopropylamine)3+2 - log_k 6.07 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 3 Isopropylamine = Cd(Isopropylamine)3+2 + log_k 6.07 + delta_h 0 kJ + -gamma 0 0 # Id: 1609653 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 4Isopropylamine = Cd(Isopropylamine)4+2 - log_k 6.9 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 4 Isopropylamine = Cd(Isopropylamine)4+2 + log_k 6.9 + delta_h 0 kJ + -gamma 0 0 # Id: 1609654 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Hg(OH)2 + Isopropylamine + 2H+ = Hg(Isopropylamine)+2 + 2H2O - log_k 14.85 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Hg(OH)2 + Isopropylamine + 2 H+ = Hg(Isopropylamine)+2 + 2 H2O + log_k 14.85 + delta_h 0 kJ + -gamma 0 0 # Id: 3619651 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + 2Isopropylamine + 2H+ = Hg(Isopropylamine)2+2 + 2H2O - log_k 24.37 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + 2 Isopropylamine + 2 H+ = Hg(Isopropylamine)2+2 + 2 H2O + log_k 24.37 + delta_h 0 kJ + -gamma 0 0 # Id: 3619652 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Isopropylamine = Ag(Isopropylamine)+ - log_k 3.67 - delta_h -23.8488 kJ - -gamma 0 0 + log_k 3.67 + delta_h -23.8488 kJ + -gamma 0 0 # Id: 209651 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Isopropylamine = Ag(Isopropylamine)2+ - log_k 7.77 - delta_h -59.8312 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Isopropylamine = Ag(Isopropylamine)2+ + log_k 7.77 + delta_h -59.8312 kJ + -gamma 0 0 # Id: 209652 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Isopropylamine = Ni(Isopropylamine)+2 - log_k 2.71 - delta_h 0 kJ - -gamma 0 0 + log_k 2.71 + delta_h 0 kJ + -gamma 0 0 # Id: 5409651 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 2Isopropylamine = Ni(Isopropylamine)2+2 - log_k 4.86 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 2 Isopropylamine = Ni(Isopropylamine)2+2 + log_k 4.86 + delta_h 0 kJ + -gamma 0 0 # Id: 5409652 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 3Isopropylamine = Ni(Isopropylamine)3+2 - log_k 6.57 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 3 Isopropylamine = Ni(Isopropylamine)3+2 + log_k 6.57 + delta_h 0 kJ + -gamma 0 0 # Id: 5409653 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 4Isopropylamine = Ni(Isopropylamine)4+2 - log_k 7.83 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 4 Isopropylamine = Ni(Isopropylamine)4+2 + log_k 7.83 + delta_h 0 kJ + -gamma 0 0 # Id: 5409654 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Ni+2 + 5Isopropylamine = Ni(Isopropylamine)5+2 - log_k 8.43 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Ni+2 + 5 Isopropylamine = Ni(Isopropylamine)5+2 + log_k 8.43 + delta_h 0 kJ + -gamma 0 0 # Id: 5409655 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: H+ + Trimethylamine = H(Trimethylamine)+ - log_k 9.8 - delta_h -36.8192 kJ - -gamma 0 0 + log_k 9.8 + delta_h -36.8192 kJ + -gamma 0 0 # Id: 3309661 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Trimethylamine = Ag(Trimethylamine)+ - log_k 1.701 - delta_h 0 kJ - -gamma 0 0 + log_k 1.701 + delta_h 0 kJ + -gamma 0 0 # Id: 209661 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: H+ + Citrate-3 = H(Citrate)-2 - log_k 6.396 - delta_h 3.3472 kJ - -gamma 0 0 + log_k 6.396 + delta_h 3.3472 kJ + -gamma 0 0 # Id: 3309671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2H+ + Citrate-3 = H2(Citrate)- - log_k 11.157 - delta_h 1.297 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 H+ + Citrate-3 = H2(Citrate)- + log_k 11.157 + delta_h 1.297 kJ + -gamma 0 0 # Id: 3309672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -3H+ + Citrate-3 = H3(Citrate) - log_k 14.285 - delta_h -2.7614 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +3 H+ + Citrate-3 = H3(Citrate) + log_k 14.285 + delta_h -2.7614 kJ + -gamma 0 0 # Id: 3309673 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Citrate-3 = Pb(Citrate)- - log_k 7.27 - delta_h 0 kJ - -gamma 0 0 + log_k 7.27 + delta_h 0 kJ + -gamma 0 0 # Id: 6009671 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Pb+2 + 2Citrate-3 = Pb(Citrate)2-4 - log_k 6.53 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Pb+2 + 2 Citrate-3 = Pb(Citrate)2-4 + log_k 6.53 + delta_h 0 kJ + -gamma 0 0 # Id: 6009672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Al+3 + Citrate-3 = Al(Citrate) - log_k 9.97 - delta_h 0 kJ - -gamma 0 0 + log_k 9.97 + delta_h 0 kJ + -gamma 0 0 # Id: 309671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Al+3 + 2Citrate-3 = Al(Citrate)2-3 - log_k 14.8 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Al+3 + 2 Citrate-3 = Al(Citrate)2-3 + log_k 14.8 + delta_h 0 kJ + -gamma 0 0 # Id: 309672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Al+3 + Citrate-3 + H+ = AlH(Citrate)+ - log_k 12.85 - delta_h 0 kJ - -gamma 0 0 + log_k 12.85 + delta_h 0 kJ + -gamma 0 0 # Id: 309673 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Tl+ + Citrate-3 = Tl(Citrate)-2 - log_k 1.48 - delta_h 0 kJ - -gamma 0 0 + log_k 1.48 + delta_h 0 kJ + -gamma 0 0 # Id: 8709671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Citrate-3 = Zn(Citrate)- - log_k 6.21 - delta_h 8.368 kJ - -gamma 0 0 + log_k 6.21 + delta_h 8.368 kJ + -gamma 0 0 # Id: 9509671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 2Citrate-3 = Zn(Citrate)2-4 - log_k 7.4 - delta_h 25.104 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 2 Citrate-3 = Zn(Citrate)2-4 + log_k 7.4 + delta_h 25.104 kJ + -gamma 0 0 # Id: 9509672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Citrate-3 + H+ = ZnH(Citrate) - log_k 10.2 - delta_h 3.3472 kJ - -gamma 0 0 + log_k 10.2 + delta_h 3.3472 kJ + -gamma 0 0 # Id: 9509673 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + Citrate-3 + 2H+ = ZnH2(Citrate)+ - log_k 12.84 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + Citrate-3 + 2 H+ = ZnH2(Citrate)+ + log_k 12.84 + delta_h 0 kJ + -gamma 0 0 # Id: 9509674 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Cd+2 + Citrate-3 = Cd(Citrate)- - log_k 4.98 - delta_h 8.368 kJ - -gamma 0 0 + log_k 4.98 + delta_h 8.368 kJ + -gamma 0 0 # Id: 1609671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Citrate-3 + H+ = CdH(Citrate) - log_k 9.44 - delta_h 3.3472 kJ - -gamma 0 0 + log_k 9.44 + delta_h 3.3472 kJ + -gamma 0 0 # Id: 1609672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + Citrate-3 + 2H+ = CdH2(Citrate)+ - log_k 12.9 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + Citrate-3 + 2 H+ = CdH2(Citrate)+ + log_k 12.9 + delta_h 0 kJ + -gamma 0 0 # Id: 1609673 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 2Citrate-3 = Cd(Citrate)2-4 - log_k 5.9 - delta_h 20.92 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 2 Citrate-3 = Cd(Citrate)2-4 + log_k 5.9 + delta_h 20.92 kJ + -gamma 0 0 # Id: 1609674 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Citrate-3 + 2H+ = Hg(Citrate)- + 2H2O - log_k 18.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Citrate-3 + 2 H+ = Hg(Citrate)- + 2 H2O + log_k 18.3 + delta_h 0 kJ + -gamma 0 0 # Id: 3619671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Citrate-3 = Cu(Citrate)- - log_k 7.57 - delta_h 0 kJ - -gamma 0 0 + log_k 7.57 + delta_h 0 kJ + -gamma 0 0 # Id: 2319671 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cu+2 + 2Citrate-3 = Cu(Citrate)2-4 - log_k 8.9 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cu+2 + 2 Citrate-3 = Cu(Citrate)2-4 + log_k 8.9 + delta_h 0 kJ + -gamma 0 0 # Id: 2319672 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Cu+2 + Citrate-3 + H+ = CuH(Citrate) - log_k 10.87 - delta_h 11.7152 kJ - -gamma 0 0 + log_k 10.87 + delta_h 11.7152 kJ + -gamma 0 0 # Id: 2319673 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + Citrate-3 + 2H+ = CuH2(Citrate)+ - log_k 13.23 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + Citrate-3 + 2 H+ = CuH2(Citrate)+ + log_k 13.23 + delta_h 0 kJ + -gamma 0 0 # Id: 2319674 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -2Cu+2 + 2Citrate-3 = Cu2(Citrate)2-2 - log_k 16.9 - delta_h 41.84 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +2 Cu+2 + 2 Citrate-3 = Cu2(Citrate)2-2 + log_k 16.9 + delta_h 41.84 kJ + -gamma 0 0 # Id: 2319675 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Citrate-3 = Ni(Citrate)- - log_k 6.59 - delta_h 16.736 kJ - -gamma 0 0 + log_k 6.59 + delta_h 16.736 kJ + -gamma 0 0 # Id: 5409671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Citrate-3 + H+ = NiH(Citrate) - log_k 10.5 - delta_h 15.8992 kJ - -gamma 0 0 + log_k 10.5 + delta_h 15.8992 kJ + -gamma 0 0 # Id: 5409672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + Citrate-3 + 2H+ = NiH2(Citrate)+ - log_k 13.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + Citrate-3 + 2 H+ = NiH2(Citrate)+ + log_k 13.3 + delta_h 0 kJ + -gamma 0 0 # Id: 5409673 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 2Citrate-3 = Ni(Citrate)2-4 - log_k 8.77 - delta_h 12.552 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 2 Citrate-3 = Ni(Citrate)2-4 + log_k 8.77 + delta_h 12.552 kJ + -gamma 0 0 # Id: 5409674 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 2Citrate-3 + H+ = NiH(Citrate)2-3 - log_k 14.9 - delta_h 32.6352 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 2 Citrate-3 + H+ = NiH(Citrate)2-3 + log_k 14.9 + delta_h 32.6352 kJ + -gamma 0 0 # Id: 5409675 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Citrate-3 = Co(Citrate)- - log_k 6.1867 - delta_h 0 kJ - -gamma 0 0 + log_k 6.1867 + delta_h 0 kJ + -gamma 0 0 # Id: 2009671 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Co+2 + H+ + Citrate-3 = CoHCitrate - log_k 10.4438 - delta_h 0 kJ - -gamma 0 0 + log_k 10.4438 + delta_h 0 kJ + -gamma 0 0 # Id: 2009672 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 -Co+2 + 2H+ + Citrate-3 = CoH2Citrate+ - log_k 12.7859 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 H+ + Citrate-3 = CoH2Citrate+ + log_k 12.7859 + delta_h 0 kJ + -gamma 0 0 # Id: 2009673 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 20.0 Fe+2 + Citrate-3 = Fe(Citrate)- - log_k 6.1 - delta_h 0 kJ - -gamma 0 0 + log_k 6.1 + delta_h 0 kJ + -gamma 0 0 # Id: 2809671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+2 + Citrate-3 + H+ = FeH(Citrate) - log_k 10.2 - delta_h 0 kJ - -gamma 0 0 + log_k 10.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2809672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Citrate-3 = Fe(Citrate) - log_k 13.1 - delta_h 0 kJ - -gamma 0 0 + log_k 13.1 + delta_h 0 kJ + -gamma 0 0 # Id: 2819671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Citrate-3 + H+ = FeH(Citrate)+ - log_k 14.4 - delta_h 0 kJ - -gamma 0 0 + log_k 14.4 + delta_h 0 kJ + -gamma 0 0 # Id: 2819672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mn+2 + Citrate-3 = Mn(Citrate)- - log_k 4.28 - delta_h 0 kJ - -gamma 0 0 + log_k 4.28 + delta_h 0 kJ + -gamma 0 0 # Id: 4709671 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Mn+2 + Citrate-3 + H+ = MnH(Citrate) - log_k 9.6 - delta_h 0 kJ - -gamma 0 0 + log_k 9.6 + delta_h 0 kJ + -gamma 0 0 # Id: 4709672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Be+2 + Citrate-3 = Be(Citrate)- - log_k 5.534 - delta_h 0 kJ - -gamma 0 0 + log_k 5.534 + delta_h 0 kJ + -gamma 0 0 # Id: 1109671 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 25.0 Be+2 + H+ + Citrate-3 = BeH(Citrate) - log_k 9.442 - delta_h 0 kJ - -gamma 0 0 + log_k 9.442 + delta_h 0 kJ + -gamma 0 0 # Id: 1109672 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 25.0 Ca+2 + Citrate-3 = Ca(Citrate)- - log_k 4.87 - delta_h -8.368 kJ - -gamma 0 0 + log_k 4.87 + delta_h -8.368 kJ + -gamma 0 0 # Id: 1509671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Citrate-3 + H+ = CaH(Citrate) - log_k 9.26 - delta_h -0.8368 kJ - -gamma 0 0 + log_k 9.26 + delta_h -0.8368 kJ + -gamma 0 0 # Id: 1509672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ca+2 + Citrate-3 + 2H+ = CaH2(Citrate)+ - log_k 12.257 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ca+2 + Citrate-3 + 2 H+ = CaH2(Citrate)+ + log_k 12.257 + delta_h 0 kJ + -gamma 0 0 # Id: 1509673 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Mg+2 + Citrate-3 = Mg(Citrate)- - log_k 4.89 - delta_h 8.368 kJ - -gamma 0 0 + log_k 4.89 + delta_h 8.368 kJ + -gamma 0 0 # Id: 4609671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mg+2 + Citrate-3 + H+ = MgH(Citrate) - log_k 8.91 - delta_h 3.3472 kJ - -gamma 0 0 + log_k 8.91 + delta_h 3.3472 kJ + -gamma 0 0 # Id: 4609672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Mg+2 + Citrate-3 + 2H+ = MgH2(Citrate)+ - log_k 12.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Mg+2 + Citrate-3 + 2 H+ = MgH2(Citrate)+ + log_k 12.2 + delta_h 0 kJ + -gamma 0 0 # Id: 4609673 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Sr+2 + Citrate-3 = Sr(Citrate)- - log_k 4.3367 - delta_h 0 kJ - -gamma 0 0 + log_k 4.3367 + delta_h 0 kJ + -gamma 0 0 # Id: 8009671 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Sr+2 + H+ + Citrate-3 = SrH(Citrate) - log_k 8.9738 - delta_h 0 kJ - -gamma 0 0 + log_k 8.9738 + delta_h 0 kJ + -gamma 0 0 # Id: 8009672 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 -Sr+2 + 2H+ + Citrate-3 = SrH2(Citrate)+ - log_k 12.4859 - delta_h 0 kJ - -gamma 0 0 +Sr+2 + 2 H+ + Citrate-3 = SrH2(Citrate)+ + log_k 12.4859 + delta_h 0 kJ + -gamma 0 0 # Id: 8009673 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Ba+2 + Citrate-3 = Ba(Citrate)- - log_k 4.1 - delta_h 0 kJ - -gamma 0 0 + log_k 4.1 + delta_h 0 kJ + -gamma 0 0 # Id: 1009671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ba+2 + Citrate-3 + H+ = BaH(Citrate) - log_k 8.74 - delta_h 0 kJ - -gamma 0 0 + log_k 8.74 + delta_h 0 kJ + -gamma 0 0 # Id: 1009672 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ba+2 + Citrate-3 + 2H+ = BaH2(Citrate)+ - log_k 12.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ba+2 + Citrate-3 + 2 H+ = BaH2(Citrate)+ + log_k 12.3 + delta_h 0 kJ + -gamma 0 0 # Id: 1009673 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Na+ + Citrate-3 = Na(Citrate)-2 - log_k 1.03 - delta_h -2.8033 kJ - -gamma 0 0 + log_k 1.03 + delta_h -2.8033 kJ + -gamma 0 0 # Id: 5009671 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -2Na+ + Citrate-3 = Na2(Citrate)- - log_k 1.5 - delta_h -5.1045 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +2 Na+ + Citrate-3 = Na2(Citrate)- + log_k 1.5 + delta_h -5.1045 kJ + -gamma 0 0 # Id: 5009672 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Na+ + Citrate-3 + H+ = NaH(Citrate)- - log_k 6.45 - delta_h -3.5982 kJ - -gamma 0 0 + log_k 6.45 + delta_h -3.5982 kJ + -gamma 0 0 # Id: 5009673 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: K+ + Citrate-3 = K(Citrate)-2 - log_k 1.1 - delta_h 5.4392 kJ - -gamma 0 0 + log_k 1.1 + delta_h 5.4392 kJ + -gamma 0 0 # Id: 4109671 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Nta-3 = H(Nta)-2 - log_k 10.278 - delta_h -18.828 kJ - -gamma 0 0 + log_k 10.278 + delta_h -18.828 kJ + -gamma 0 0 # Id: 3309681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2H+ + Nta-3 = H2(Nta)- - log_k 13.22 - delta_h -17.9912 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 H+ + Nta-3 = H2(Nta)- + log_k 13.22 + delta_h -17.9912 kJ + -gamma 0 0 # Id: 3309682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -3H+ + Nta-3 = H3(Nta) - log_k 15.22 - delta_h -16.3176 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +3 H+ + Nta-3 = H3(Nta) + log_k 15.22 + delta_h -16.3176 kJ + -gamma 0 0 # Id: 3309683 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -4H+ + Nta-3 = H4(Nta)+ - log_k 16.22 - delta_h -16.3176 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +4 H+ + Nta-3 = H4(Nta)+ + log_k 16.22 + delta_h -16.3176 kJ + -gamma 0 0 # Id: 3309684 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Nta-3 = Pb(Nta)- - log_k 12.7 - delta_h -15.8992 kJ - -gamma 0 0 + log_k 12.7 + delta_h -15.8992 kJ + -gamma 0 0 # Id: 6009681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Nta-3 + H+ = PbH(Nta) - log_k 15.3 - delta_h 0 kJ - -gamma 0 0 + log_k 15.3 + delta_h 0 kJ + -gamma 0 0 # Id: 6009682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Al+3 + Nta-3 = Al(Nta) - log_k 13.3 - delta_h 0 kJ - -gamma 0 0 + log_k 13.3 + delta_h 0 kJ + -gamma 0 0 # Id: 309681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Al+3 + Nta-3 + H+ = AlH(Nta)+ - log_k 15.2 - delta_h 0 kJ - -gamma 0 0 + log_k 15.2 + delta_h 0 kJ + -gamma 0 0 # Id: 309682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Al+3 + Nta-3 + H2O = AlOH(Nta)- + H+ - log_k 8 - delta_h 0 kJ - -gamma 0 0 + log_k 8 + delta_h 0 kJ + -gamma 0 0 # Id: 309683 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Tl+ + Nta-3 = Tl(Nta)-2 - log_k 5.39 - delta_h 0 kJ - -gamma 0 0 + log_k 5.39 + delta_h 0 kJ + -gamma 0 0 # Id: 8709681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Nta-3 = Zn(Nta)- - log_k 11.95 - delta_h -3.7656 kJ - -gamma 0 0 + log_k 11.95 + delta_h -3.7656 kJ + -gamma 0 0 # Id: 9509681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 2Nta-3 = Zn(Nta)2-4 - log_k 14.88 - delta_h -15.0624 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 2 Nta-3 = Zn(Nta)2-4 + log_k 14.88 + delta_h -15.0624 kJ + -gamma 0 0 # Id: 9509682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Nta-3 + H2O = ZnOH(Nta)-2 + H+ - log_k 1.46 - delta_h 46.4424 kJ - -gamma 0 0 + log_k 1.46 + delta_h 46.4424 kJ + -gamma 0 0 # Id: 9509683 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Nta-3 = Cd(Nta)- - log_k 11.07 - delta_h -16.736 kJ - -gamma 0 0 + log_k 11.07 + delta_h -16.736 kJ + -gamma 0 0 # Id: 1609681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 2Nta-3 = Cd(Nta)2-4 - log_k 15.03 - delta_h -38.0744 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 2 Nta-3 = Cd(Nta)2-4 + log_k 15.03 + delta_h -38.0744 kJ + -gamma 0 0 # Id: 1609682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Nta-3 + H2O = CdOH(Nta)-2 + H+ - log_k -0.61 - delta_h 29.288 kJ - -gamma 0 0 + log_k -0.61 + delta_h 29.288 kJ + -gamma 0 0 # Id: 1609683 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Nta-3 + 2H+ = Hg(Nta)- + 2H2O - log_k 21.7 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Nta-3 + 2 H+ = Hg(Nta)- + 2 H2O + log_k 21.7 + delta_h 0 kJ + -gamma 0 0 # Id: 3619681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Nta-3 = Cu(Nta)- - log_k 14.4 - delta_h -7.9496 kJ - -gamma 0 0 + log_k 14.4 + delta_h -7.9496 kJ + -gamma 0 0 # Id: 2319681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Nta-3 = Cu(Nta)2-4 - log_k 18.1 - delta_h -37.2376 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Nta-3 = Cu(Nta)2-4 + log_k 18.1 + delta_h -37.2376 kJ + -gamma 0 0 # Id: 2319682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Nta-3 + H+ = CuH(Nta) - log_k 16.2 - delta_h 0 kJ - -gamma 0 0 + log_k 16.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2319683 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Nta-3 + H2O = CuOH(Nta)-2 + H+ - log_k 4.8 - delta_h 25.5224 kJ - -gamma 0 0 + log_k 4.8 + delta_h 25.5224 kJ + -gamma 0 0 # Id: 2319684 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Nta-3 = Ag(Nta)-2 - log_k 6 - delta_h -26.3592 kJ - -gamma 0 0 + log_k 6 + delta_h -26.3592 kJ + -gamma 0 0 # Id: 209681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Nta-3 = Ni(Nta)- - log_k 12.79 - delta_h -10.0416 kJ - -gamma 0 0 + log_k 12.79 + delta_h -10.0416 kJ + -gamma 0 0 # Id: 5409681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 2Nta-3 = Ni(Nta)2-4 - log_k 16.96 - delta_h -32.6352 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 2 Nta-3 = Ni(Nta)2-4 + log_k 16.96 + delta_h -32.6352 kJ + -gamma 0 0 # Id: 5409682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Nta-3 + H2O = NiOH(Nta)-2 + H+ - log_k 1.5 - delta_h 15.0624 kJ - -gamma 0 0 + log_k 1.5 + delta_h 15.0624 kJ + -gamma 0 0 # Id: 5409683 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Nta-3 = Co(Nta)- - log_k 11.6667 - delta_h -0.4 kJ - -gamma 0 0 + log_k 11.6667 + delta_h -0.4 kJ + -gamma 0 0 # Id: 2009681 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -Co+2 + 2Nta-3 = Co(Nta)2-4 - log_k 14.9734 - delta_h -20 kJ - -gamma 0 0 +Co+2 + 2 Nta-3 = Co(Nta)2-4 + log_k 14.9734 + delta_h -20 kJ + -gamma 0 0 # Id: 2009682 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Co+2 + Nta-3 + H2O = CoOH(Nta)-2 + H+ - log_k 0.4378 - delta_h 45.6 kJ - -gamma 0 0 + log_k 0.4378 + delta_h 45.6 kJ + -gamma 0 0 # Id: 2009683 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Fe+2 + Nta-3 = Fe(Nta)- - log_k 10.19 - delta_h 0 kJ - -gamma 0 0 + log_k 10.19 + delta_h 0 kJ + -gamma 0 0 # Id: 2809681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Fe+2 + 2Nta-3 = Fe(Nta)2-4 - log_k 12.62 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Fe+2 + 2 Nta-3 = Fe(Nta)2-4 + log_k 12.62 + delta_h 0 kJ + -gamma 0 0 # Id: 2809682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+2 + Nta-3 + H+ = FeH(Nta) - log_k 12.29 - delta_h 0 kJ - -gamma 0 0 + log_k 12.29 + delta_h 0 kJ + -gamma 0 0 # Id: 2809683 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+2 + Nta-3 + H2O = FeOH(Nta)-2 + H+ - log_k -1.06 - delta_h 0 kJ - -gamma 0 0 + log_k -1.06 + delta_h 0 kJ + -gamma 0 0 # Id: 2809684 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Nta-3 = Fe(Nta) - log_k 17.8 - delta_h 13.3888 kJ - -gamma 0 0 + log_k 17.8 + delta_h 13.3888 kJ + -gamma 0 0 # Id: 2819681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Fe+3 + 2Nta-3 = Fe(Nta)2-3 - log_k 25.9 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Fe+3 + 2 Nta-3 = Fe(Nta)2-3 + log_k 25.9 + delta_h 0 kJ + -gamma 0 0 # Id: 2819682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Nta-3 + H2O = FeOH(Nta)- + H+ - log_k 13.23 - delta_h 0 kJ - -gamma 0 0 + log_k 13.23 + delta_h 0 kJ + -gamma 0 0 # Id: 2819683 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mn+2 + Nta-3 = Mn(Nta)- - log_k 8.573 - delta_h 5.8576 kJ - -gamma 0 0 + log_k 8.573 + delta_h 5.8576 kJ + -gamma 0 0 # Id: 4709681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Mn+2 + 2Nta-3 = Mn(Nta)2-4 - log_k 11.58 - delta_h -17.1544 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Mn+2 + 2 Nta-3 = Mn(Nta)2-4 + log_k 11.58 + delta_h -17.1544 kJ + -gamma 0 0 # Id: 4709682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cr(OH)2+ + Nta-3 + 2H+ = Cr(Nta) + 2H2O - log_k 21.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cr(OH)2+ + Nta-3 + 2 H+ = Cr(Nta) + 2 H2O + log_k 21.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2119681 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cr(OH)2+ + 2Nta-3 + 2H+ = Cr(Nta)2-3 + 2H2O - log_k 29.5 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cr(OH)2+ + 2 Nta-3 + 2 H+ = Cr(Nta)2-3 + 2 H2O + log_k 29.5 + delta_h 0 kJ + -gamma 0 0 # Id: 2119682 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -MoO4-2 + 2H+ + Nta-3 = MoO3(Nta)-3 + H2O - log_k 19.5434 - delta_h -69 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +MoO4-2 + 2 H+ + Nta-3 = MoO3(Nta)-3 + H2O + log_k 19.5434 + delta_h -69 kJ + -gamma 0 0 # Id: 4809681 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -MoO4-2 + 3H+ + Nta-3 = MoO3H(Nta)-2 + H2O - log_k 23.3954 - delta_h -71 kJ - -gamma 0 0 +MoO4-2 + 3 H+ + Nta-3 = MoO3H(Nta)-2 + H2O + log_k 23.3954 + delta_h -71 kJ + -gamma 0 0 # Id: 4809682 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 1.00 25.0 -MoO4-2 + 4H+ + Nta-3 = MoO3H2(Nta)- + H2O - log_k 25.3534 - delta_h -71 kJ - -gamma 0 0 +MoO4-2 + 4 H+ + Nta-3 = MoO3H2(Nta)- + H2O + log_k 25.3534 + delta_h -71 kJ + -gamma 0 0 # Id: 4809683 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 1.00 25.0 Be+2 + Nta-3 = Be(Nta)- - log_k 9.0767 - delta_h 25 kJ - -gamma 0 0 + log_k 9.0767 + delta_h 25 kJ + -gamma 0 0 # Id: 1109681 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Mg+2 + Nta-3 = Mg(Nta)- - log_k 6.5 - delta_h 17.9912 kJ - -gamma 0 0 + log_k 6.5 + delta_h 17.9912 kJ + -gamma 0 0 # Id: 4609681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Nta-3 = Ca(Nta)- - log_k 7.608 - delta_h -5.6902 kJ - -gamma 0 0 + log_k 7.608 + delta_h -5.6902 kJ + -gamma 0 0 # Id: 1509681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ca+2 + 2Nta-3 = Ca(Nta)2-4 - log_k 8.81 - delta_h -32.6352 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ca+2 + 2 Nta-3 = Ca(Nta)2-4 + log_k 8.81 + delta_h -32.6352 kJ + -gamma 0 0 # Id: 1509682 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Sr+2 + Nta-3 = Sr(Nta)- - log_k 6.2767 - delta_h -2.2 kJ - -gamma 0 0 + log_k 6.2767 + delta_h -2.2 kJ + -gamma 0 0 # Id: 8009681 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Ba+2 + Nta-3 = Ba(Nta)- - log_k 5.875 - delta_h -6.025 kJ - -gamma 0 0 + log_k 5.875 + delta_h -6.025 kJ + -gamma 0 0 # Id: 1009681 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Edta-4 = H(Edta)-3 - log_k 10.948 - delta_h -23.4304 kJ - -gamma 0 0 + log_k 10.948 + delta_h -23.4304 kJ + -gamma 0 0 # Id: 3309691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2H+ + Edta-4 = H2(Edta)-2 - log_k 17.221 - delta_h -41.0032 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 H+ + Edta-4 = H2(Edta)-2 + log_k 17.221 + delta_h -41.0032 kJ + -gamma 0 0 # Id: 3309692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -3H+ + Edta-4 = H3(Edta)- - log_k 20.34 - delta_h -35.564 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +3 H+ + Edta-4 = H3(Edta)- + log_k 20.34 + delta_h -35.564 kJ + -gamma 0 0 # Id: 3309693 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -4H+ + Edta-4 = H4(Edta) - log_k 22.5 - delta_h -34.3088 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +4 H+ + Edta-4 = H4(Edta) + log_k 22.5 + delta_h -34.3088 kJ + -gamma 0 0 # Id: 3309694 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -5H+ + Edta-4 = H5(Edta)+ - log_k 24 - delta_h -32.2168 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +5 H+ + Edta-4 = H5(Edta)+ + log_k 24 + delta_h -32.2168 kJ + -gamma 0 0 # Id: 3309695 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Sn(OH)2 + 2H+ + Edta-4 = Sn(Edta)-2 + 2H2O - log_k 27.026 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Sn(OH)2 + 2 H+ + Edta-4 = Sn(Edta)-2 + 2 H2O + log_k 27.026 + delta_h 0 kJ + -gamma 0 0 # Id: 7909691 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 20.0 -Sn(OH)2 + 3H+ + Edta-4 = SnH(Edta)- + 2H2O - log_k 29.934 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 3 H+ + Edta-4 = SnH(Edta)- + 2 H2O + log_k 29.934 + delta_h 0 kJ + -gamma 0 0 # Id: 7909692 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 20.0 -Sn(OH)2 + 4H+ + Edta-4 = SnH2(Edta) + 2H2O - log_k 31.638 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 4 H+ + Edta-4 = SnH2(Edta) + 2 H2O + log_k 31.638 + delta_h 0 kJ + -gamma 0 0 # Id: 7909693 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 20.0 Pb+2 + Edta-4 = Pb(Edta)-2 - log_k 19.8 - delta_h -54.8104 kJ - -gamma 0 0 + log_k 19.8 + delta_h -54.8104 kJ + -gamma 0 0 # Id: 6009691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Edta-4 + H+ = PbH(Edta)- - log_k 23 - delta_h 0 kJ - -gamma 0 0 + log_k 23 + delta_h 0 kJ + -gamma 0 0 # Id: 6009692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Pb+2 + Edta-4 + 2H+ = PbH2(Edta) - log_k 24.9 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Pb+2 + Edta-4 + 2 H+ = PbH2(Edta) + log_k 24.9 + delta_h 0 kJ + -gamma 0 0 # Id: 6009693 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Al+3 + Edta-4 = Al(Edta)- - log_k 19.1 - delta_h 52.7184 kJ - -gamma 0 0 + log_k 19.1 + delta_h 52.7184 kJ + -gamma 0 0 # Id: 309690 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Al+3 + Edta-4 + H+ = AlH(Edta) - log_k 21.8 - delta_h 36.4008 kJ - -gamma 0 0 + log_k 21.8 + delta_h 36.4008 kJ + -gamma 0 0 # Id: 309691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Al+3 + Edta-4 + H2O = AlOH(Edta)-2 + H+ - log_k 12.8 - delta_h 73.6384 kJ - -gamma 0 0 + log_k 12.8 + delta_h 73.6384 kJ + -gamma 0 0 # Id: 309692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Tl+ + Edta-4 = Tl(Edta)-3 - log_k 7.27 - delta_h -43.5136 kJ - -gamma 0 0 + log_k 7.27 + delta_h -43.5136 kJ + -gamma 0 0 # Id: 8709691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Tl+ + Edta-4 + H+ = TlH(Edta)-2 - log_k 13.68 - delta_h 0 kJ - -gamma 0 0 + log_k 13.68 + delta_h 0 kJ + -gamma 0 0 # Id: 8709692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Edta-4 = Zn(Edta)-2 - log_k 18 - delta_h -19.2464 kJ - -gamma 0 0 + log_k 18 + delta_h -19.2464 kJ + -gamma 0 0 # Id: 9509691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Edta-4 + H+ = ZnH(Edta)- - log_k 21.4 - delta_h -28.4512 kJ - -gamma 0 0 + log_k 21.4 + delta_h -28.4512 kJ + -gamma 0 0 # Id: 9509692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Edta-4 + H2O = ZnOH(Edta)-3 + H+ - log_k 5.8 - delta_h 0 kJ - -gamma 0 0 + log_k 5.8 + delta_h 0 kJ + -gamma 0 0 # Id: 9509693 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Edta-4 = Cd(Edta)-2 - log_k 18.2 - delta_h -38.0744 kJ - -gamma 0 0 + log_k 18.2 + delta_h -38.0744 kJ + -gamma 0 0 # Id: 1609691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Edta-4 + H+ = CdH(Edta)- - log_k 21.5 - delta_h -39.748 kJ - -gamma 0 0 + log_k 21.5 + delta_h -39.748 kJ + -gamma 0 0 # Id: 1609692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Edta-4 + 2H+ = Hg(Edta)-2 + 2H2O - log_k 29.3 - delta_h -125.102 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Edta-4 + 2 H+ = Hg(Edta)-2 + 2 H2O + log_k 29.3 + delta_h -125.102 kJ + -gamma 0 0 # Id: 3619691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Edta-4 + 3H+ = HgH(Edta)- + 2H2O - log_k 32.9 - delta_h -128.449 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Edta-4 + 3 H+ = HgH(Edta)- + 2 H2O + log_k 32.9 + delta_h -128.449 kJ + -gamma 0 0 # Id: 3619692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Edta-4 = Cu(Edta)-2 - log_k 20.5 - delta_h -34.7272 kJ - -gamma 0 0 + log_k 20.5 + delta_h -34.7272 kJ + -gamma 0 0 # Id: 2319691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Edta-4 + H+ = CuH(Edta)- - log_k 24 - delta_h -43.0952 kJ - -gamma 0 0 + log_k 24 + delta_h -43.0952 kJ + -gamma 0 0 # Id: 2319692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + Edta-4 + 2H+ = CuH2(Edta) - log_k 26.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + Edta-4 + 2 H+ = CuH2(Edta) + log_k 26.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2319693 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Edta-4 + H2O = CuOH(Edta)-3 + H+ - log_k 8.5 - delta_h 0 kJ - -gamma 0 0 + log_k 8.5 + delta_h 0 kJ + -gamma 0 0 # Id: 2319694 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Edta-4 = Ag(Edta)-3 - log_k 8.08 - delta_h -31.38 kJ - -gamma 0 0 + log_k 8.08 + delta_h -31.38 kJ + -gamma 0 0 # Id: 209691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Edta-4 + H+ = AgH(Edta)-2 - log_k 15.21 - delta_h 0 kJ - -gamma 0 0 + log_k 15.21 + delta_h 0 kJ + -gamma 0 0 # Id: 209693 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Ni+2 + Edta-4 = Ni(Edta)-2 - log_k 20.1 - delta_h -30.9616 kJ - -gamma 0 0 + log_k 20.1 + delta_h -30.9616 kJ + -gamma 0 0 # Id: 5409691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Edta-4 + H+ = NiH(Edta)- - log_k 23.6 - delta_h -38.4928 kJ - -gamma 0 0 + log_k 23.6 + delta_h -38.4928 kJ + -gamma 0 0 # Id: 5409692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Edta-4 + H2O = NiOH(Edta)-3 + H+ - log_k 7.6 - delta_h 0 kJ - -gamma 0 0 + log_k 7.6 + delta_h 0 kJ + -gamma 0 0 # Id: 5409693 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Edta-4 = Co(Edta)-2 - log_k 18.1657 - delta_h -15 kJ - -gamma 0 0 + log_k 18.1657 + delta_h -15 kJ + -gamma 0 0 # Id: 2009691 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Co+2 + Edta-4 + H+ = CoH(Edta)- - log_k 21.5946 - delta_h -22.9 kJ - -gamma 0 0 + log_k 21.5946 + delta_h -22.9 kJ + -gamma 0 0 # Id: 2009692 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -Co+2 + Edta-4 + 2H+ = CoH2(Edta) - log_k 23.4986 - delta_h 0 kJ - -gamma 0 0 +Co+2 + Edta-4 + 2 H+ = CoH2(Edta) + log_k 23.4986 + delta_h 0 kJ + -gamma 0 0 # Id: 2009693 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 25.0 Co+3 + Edta-4 = Co(Edta)- - log_k 43.9735 - delta_h 0 kJ - -gamma 0 0 + log_k 43.9735 + delta_h 0 kJ + -gamma 0 0 # Id: 2019691 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Co+3 + Edta-4 + H+ = CoH(Edta) - log_k 47.168 - delta_h 0 kJ - -gamma 0 0 + log_k 47.168 + delta_h 0 kJ + -gamma 0 0 # Id: 2019692 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 20.0 Fe+2 + Edta-4 = Fe(Edta)-2 - log_k 16 - delta_h -16.736 kJ - -gamma 0 0 + log_k 16 + delta_h -16.736 kJ + -gamma 0 0 # Id: 2809690 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+2 + Edta-4 + H+ = FeH(Edta)- - log_k 19.06 - delta_h -27.6144 kJ - -gamma 0 0 + log_k 19.06 + delta_h -27.6144 kJ + -gamma 0 0 # Id: 2809691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+2 + Edta-4 + H2O = FeOH(Edta)-3 + H+ - log_k 6.5 - delta_h 0 kJ - -gamma 0 0 + log_k 6.5 + delta_h 0 kJ + -gamma 0 0 # Id: 2809692 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Fe+2 + Edta-4 + 2H2O = Fe(OH)2(Edta)-4 + 2H+ - log_k -4 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Fe+2 + Edta-4 + 2 H2O = Fe(OH)2(Edta)-4 + 2 H+ + log_k -4 + delta_h 0 kJ + -gamma 0 0 # Id: 2809693 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Fe+3 + Edta-4 = Fe(Edta)- - log_k 27.7 - delta_h -11.2968 kJ - -gamma 0 0 + log_k 27.7 + delta_h -11.2968 kJ + -gamma 0 0 # Id: 2819690 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Edta-4 + H+ = FeH(Edta) - log_k 29.2 - delta_h -11.7152 kJ - -gamma 0 0 + log_k 29.2 + delta_h -11.7152 kJ + -gamma 0 0 # Id: 2819691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Edta-4 + H2O = FeOH(Edta)-2 + H+ - log_k 19.9 - delta_h 0 kJ - -gamma 0 0 + log_k 19.9 + delta_h 0 kJ + -gamma 0 0 # Id: 2819692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Fe+3 + Edta-4 + 2H2O = Fe(OH)2(Edta)-3 + 2H+ - log_k 9.85 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Fe+3 + Edta-4 + 2 H2O = Fe(OH)2(Edta)-3 + 2 H+ + log_k 9.85 + delta_h 0 kJ + -gamma 0 0 # Id: 2819693 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Mn+2 + Edta-4 = Mn(Edta)-2 - log_k 15.6 - delta_h -19.2464 kJ - -gamma 0 0 + log_k 15.6 + delta_h -19.2464 kJ + -gamma 0 0 # Id: 4709691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mn+2 + Edta-4 + H+ = MnH(Edta)- - log_k 19.1 - delta_h -24.2672 kJ - -gamma 0 0 + log_k 19.1 + delta_h -24.2672 kJ + -gamma 0 0 # Id: 4709692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cr+2 + Edta-4 = Cr(Edta)-2 - log_k 15.3 - delta_h 0 kJ - -gamma 0 0 + log_k 15.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2109691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cr+2 + Edta-4 + H+ = CrH(Edta)- - log_k 19.1 - delta_h 0 kJ - -gamma 0 0 + log_k 19.1 + delta_h 0 kJ + -gamma 0 0 # Id: 2109692 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cr(OH)2+ + Edta-4 + 2H+ = Cr(Edta)- + 2H2O - log_k 35.5 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cr(OH)2+ + Edta-4 + 2 H+ = Cr(Edta)- + 2 H2O + log_k 35.5 + delta_h 0 kJ + -gamma 0 0 # Id: 2119691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cr(OH)2+ + Edta-4 + 3H+ = CrH(Edta) + 2H2O - log_k 37.4 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cr(OH)2+ + Edta-4 + 3 H+ = CrH(Edta) + 2 H2O + log_k 37.4 + delta_h 0 kJ + -gamma 0 0 # Id: 2119692 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cr(OH)2+ + Edta-4 + H+ = CrOH(Edta)-2 + H2O - log_k 27.7 - delta_h 0 kJ - -gamma 0 0 + log_k 27.7 + delta_h 0 kJ + -gamma 0 0 # Id: 2119693 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Be+2 + Edta-4 = Be(Edta)-2 - log_k 11.4157 - delta_h 41 kJ - -gamma 0 0 + log_k 11.4157 + delta_h 41 kJ + -gamma 0 0 # Id: 1109691 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Mg+2 + Edta-4 = Mg(Edta)-2 - log_k 10.57 - delta_h 13.8072 kJ - -gamma 0 0 + log_k 10.57 + delta_h 13.8072 kJ + -gamma 0 0 # Id: 4609690 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mg+2 + Edta-4 + H+ = MgH(Edta)- - log_k 14.97 - delta_h 0 kJ - -gamma 0 0 + log_k 14.97 + delta_h 0 kJ + -gamma 0 0 # Id: 4609691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Edta-4 = Ca(Edta)-2 - log_k 12.42 - delta_h -25.5224 kJ - -gamma 0 0 + log_k 12.42 + delta_h -25.5224 kJ + -gamma 0 0 # Id: 1509690 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Edta-4 + H+ = CaH(Edta)- - log_k 15.9 - delta_h 0 kJ - -gamma 0 0 + log_k 15.9 + delta_h 0 kJ + -gamma 0 0 # Id: 1509691 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Sr+2 + Edta-4 = Sr(Edta)-2 - log_k 10.4357 - delta_h -17 kJ - -gamma 0 0 + log_k 10.4357 + delta_h -17 kJ + -gamma 0 0 # Id: 8009691 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Sr+2 + Edta-4 + H+ = SrH(Edta)- - log_k 14.7946 - delta_h 0 kJ - -gamma 0 0 + log_k 14.7946 + delta_h 0 kJ + -gamma 0 0 # Id: 8009692 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 20.0 Ba+2 + Edta-4 = Ba(Edta)-2 - log_k 7.72 - delta_h -20.5016 kJ - -gamma 0 0 + log_k 7.72 + delta_h -20.5016 kJ + -gamma 0 0 # Id: 1009691 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Na+ + Edta-4 = Na(Edta)-3 - log_k 2.7 - delta_h -5.8576 kJ - -gamma 0 0 + log_k 2.7 + delta_h -5.8576 kJ + -gamma 0 0 # Id: 5009690 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: K+ + Edta-4 = K(Edta)-3 - log_k 1.7 - delta_h 0 kJ - -gamma 0 0 + log_k 1.7 + delta_h 0 kJ + -gamma 0 0 # Id: 4109690 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Propionate- = H(Propionate) - log_k 4.874 - delta_h 0.66 kJ - -gamma 0 0 + log_k 4.874 + delta_h 0.66 kJ + -gamma 0 0 # Id: 3309711 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Pb+2 + Propionate- = Pb(Propionate)+ - log_k 2.64 - delta_h 0 kJ - -gamma 0 0 + log_k 2.64 + delta_h 0 kJ + -gamma 0 0 # Id: 6009711 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.00 35.0 -Pb+2 + 2Propionate- = Pb(Propionate)2 - log_k 3.1765 - delta_h 0 kJ - -gamma 0 0 +Pb+2 + 2 Propionate- = Pb(Propionate)2 + log_k 3.1765 + delta_h 0 kJ + -gamma 0 0 # Id: 6009712 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 2.00 25.0 Zn+2 + Propionate- = Zn(Propionate)+ - log_k 1.4389 - delta_h 0 kJ - -gamma 0 0 + log_k 1.4389 + delta_h 0 kJ + -gamma 0 0 # Id: 9509711 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 -Zn+2 + 2Propionate- = Zn(Propionate)2 - log_k 1.842 - delta_h 0 kJ - -gamma 0 0 +Zn+2 + 2 Propionate- = Zn(Propionate)2 + log_k 1.842 + delta_h 0 kJ + -gamma 0 0 # Id: 9509712 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 25.0 Cd+2 + Propionate- = Cd(Propionate)+ - log_k 1.598 - delta_h 0 kJ - -gamma 0 0 + log_k 1.598 + delta_h 0 kJ + -gamma 0 0 # Id: 1609711 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 25.0 -Cd+2 + 2Propionate- = Cd(Propionate)2 - log_k 2.472 - delta_h 0 kJ - -gamma 0 0 +Cd+2 + 2 Propionate- = Cd(Propionate)2 + log_k 2.472 + delta_h 0 kJ + -gamma 0 0 # Id: 1609712 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 25.0 -Hg(OH)2 + 2H+ + Propionate- = Hg(Propionate)+ + 2H2O - log_k 10.594 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + Propionate- = Hg(Propionate)+ + 2 H2O + log_k 10.594 + delta_h 0 kJ + -gamma 0 0 # Id: 3619711 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Cu+2 + Propionate- = Cu(Propionate)+ - log_k 2.22 - delta_h 4.1 kJ - -gamma 0 0 + log_k 2.22 + delta_h 4.1 kJ + -gamma 0 0 # Id: 2319711 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cu+2 + 2Propionate- = Cu(Propionate)2 - log_k 3.5 - delta_h 0 kJ - -gamma 0 0 +Cu+2 + 2 Propionate- = Cu(Propionate)2 + log_k 3.5 + delta_h 0 kJ + -gamma 0 0 # Id: 2319712 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Ni+2 + Propionate- = Ni(Propionate)+ - log_k 0.908 - delta_h 0 kJ - -gamma 0 0 + log_k 0.908 + delta_h 0 kJ + -gamma 0 0 # Id: 5409711 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 1.00 25.0 Co+2 + Propionate- = Co(Propionate)+ - log_k 0.671 - delta_h 4.6 kJ - -gamma 0 0 + log_k 0.671 + delta_h 4.6 kJ + -gamma 0 0 # Id: 2009711 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 2.00 25.0 -Co+2 + 2Propionate- = Co(Propionate)2 - log_k 0.5565 - delta_h 16 kJ - -gamma 0 0 +Co+2 + 2 Propionate- = Co(Propionate)2 + log_k 0.5565 + delta_h 16 kJ + -gamma 0 0 # Id: 2009712 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 2.00 25.0 Fe+3 + Propionate- = Fe(Propionate)+2 - log_k 4.012 - delta_h 0 kJ - -gamma 0 0 + log_k 4.012 + delta_h 0 kJ + -gamma 0 0 # Id: 2819711 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 20.0 -Cr(OH)2+ + 2H+ + Propionate- = Cr(Propionate)+2 + 2H2O - log_k 15.0773 - delta_h 0 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ + Propionate- = Cr(Propionate)+2 + 2 H2O + log_k 15.0773 + delta_h 0 kJ + -gamma 0 0 # Id: 2119711 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.50 25.0 -Cr(OH)2+ + 2H+ + 2Propionate- = Cr(Propionate)2+ + 2H2O - log_k 17.9563 - delta_h 0 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ + 2 Propionate- = Cr(Propionate)2+ + 2 H2O + log_k 17.9563 + delta_h 0 kJ + -gamma 0 0 # Id: 2119712 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.50 25.0 -Cr(OH)2+ + 2H+ + 3Propionate- = Cr(Propionate)3 + 2H2O - log_k 20.8858 - delta_h 0 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ + 3 Propionate- = Cr(Propionate)3 + 2 H2O + log_k 20.8858 + delta_h 0 kJ + -gamma 0 0 # Id: 2119713 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.50 25.0 Mg+2 + Propionate- = Mg(Propionate)+ - log_k 0.9689 - delta_h 4.2677 kJ - -gamma 0 0 + log_k 0.9689 + delta_h 4.2677 kJ + -gamma 0 0 # Id: 4609710 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.10 25.0 Ca+2 + Propionate- = Ca(Propionate)+ - log_k 0.9289 - delta_h 3.3472 kJ - -gamma 0 0 + log_k 0.9289 + delta_h 3.3472 kJ + -gamma 0 0 # Id: 1509710 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.10 25.0 Sr+2 + Propionate- = Sr(Propionate)+ - log_k 0.8589 - delta_h 0 kJ - -gamma 0 0 + log_k 0.8589 + delta_h 0 kJ + -gamma 0 0 # Id: 8009711 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Ba+2 + Propionate- = Ba(Propionate)+ - log_k 0.7689 - delta_h 0 kJ - -gamma 0 0 + log_k 0.7689 + delta_h 0 kJ + -gamma 0 0 # Id: 1009711 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.10 25.0 -Ba+2 + 2Propionate- = Ba(Propionate)2 - log_k 0.9834 - delta_h 0 kJ - -gamma 0 0 +Ba+2 + 2 Propionate- = Ba(Propionate)2 + log_k 0.9834 + delta_h 0 kJ + -gamma 0 0 # Id: 1009712 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.10 25.0 H+ + Butyrate- = H(Butyrate) - log_k 4.819 - delta_h 2.8 kJ - -gamma 0 0 + log_k 4.819 + delta_h 2.8 kJ + -gamma 0 0 # Id: 3309721 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Pb+2 + Butyrate- = Pb(Butyrate)+ - log_k 2.101 - delta_h 0 kJ - -gamma 0 0 + log_k 2.101 + delta_h 0 kJ + -gamma 0 0 # Id: 6009721 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 2.00 25.0 Zn+2 + Butyrate- = Zn(Butyrate)+ - log_k 1.4289 - delta_h 0 kJ - -gamma 0 0 + log_k 1.4289 + delta_h 0 kJ + -gamma 0 0 # Id: 9509721 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 -Hg(OH)2 + 2H+ + Butyrate- = Hg(Butyrate)+ + 2H2O - log_k 10.3529 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + Butyrate- = Hg(Butyrate)+ + 2 H2O + log_k 10.3529 + delta_h 0 kJ + -gamma 0 0 # Id: 3619721 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Cu+2 + Butyrate- = Cu(Butyrate)+ - log_k 2.14 - delta_h 0 kJ - -gamma 0 0 + log_k 2.14 + delta_h 0 kJ + -gamma 0 0 # Id: 2319721 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Ni+2 + Butyrate- = Ni(Butyrate)+ - log_k 0.691 - delta_h 0 kJ - -gamma 0 0 + log_k 0.691 + delta_h 0 kJ + -gamma 0 0 # Id: 5409721 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 2.00 25.0 Co+2 + Butyrate- = Co(Butyrate)+ - log_k 0.591 - delta_h 0 kJ - -gamma 0 0 + log_k 0.591 + delta_h 0 kJ + -gamma 0 0 # Id: 2009721 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 2.00 25.0 -Co+2 + 2Butyrate- = Co(Butyrate)2 - log_k 0.7765 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 Butyrate- = Co(Butyrate)2 + log_k 0.7765 + delta_h 0 kJ + -gamma 0 0 # Id: 2009722 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 2.00 25.0 Mg+2 + Butyrate- = Mg(Butyrate)+ - log_k 0.9589 - delta_h 0 kJ - -gamma 0 0 + log_k 0.9589 + delta_h 0 kJ + -gamma 0 0 # Id: 4609720 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.10 25.0 Ca+2 + Butyrate- = Ca(Butyrate)+ - log_k 0.9389 - delta_h 3.3472 kJ - -gamma 0 0 + log_k 0.9389 + delta_h 3.3472 kJ + -gamma 0 0 # Id: 1509720 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.10 25.0 Sr+2 + Butyrate- = Sr(Butyrate)+ - log_k 0.7889 - delta_h 0 kJ - -gamma 0 0 + log_k 0.7889 + delta_h 0 kJ + -gamma 0 0 # Id: 8009721 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Ba+2 + Butyrate- = Ba(Butyrate)+ - log_k 0.7389 - delta_h 0 kJ - -gamma 0 0 + log_k 0.7389 + delta_h 0 kJ + -gamma 0 0 # Id: 1009721 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 0.10 25.0 -Ba+2 + 2Butyrate- = Ba(Butyrate)2 - log_k 0.88 - delta_h 0 kJ - -gamma 0 0 +Ba+2 + 2 Butyrate- = Ba(Butyrate)2 + log_k 0.88 + delta_h 0 kJ + -gamma 0 0 # Id: 1009722 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: H+ + Isobutyrate- = H(Isobutyrate) - log_k 4.849 - delta_h 3.2217 kJ - -gamma 0 0 + log_k 4.849 + delta_h 3.2217 kJ + -gamma 0 0 # Id: 3309731 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Isobutyrate- = Zn(Isobutyrate)+ - log_k 1.44 - delta_h 0 kJ - -gamma 0 0 + log_k 1.44 + delta_h 0 kJ + -gamma 0 0 # Id: 9509731 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Isobutyrate- = Cu(Isobutyrate)+ - log_k 2.17 - delta_h 0 kJ - -gamma 0 0 + log_k 2.17 + delta_h 0 kJ + -gamma 0 0 # Id: 2319731 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Isobutyrate- = Cu(Isobutyrate)2 - log_k 3.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Isobutyrate- = Cu(Isobutyrate)2 + log_k 3.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2319732 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Isobutyrate- = Fe(Isobutyrate)+2 - log_k 4.2 - delta_h 0 kJ - -gamma 0 0 + log_k 4.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2819731 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Isobutyrate- = Ca(Isobutyrate)+ - log_k 0.51 - delta_h 0 kJ - -gamma 0 0 + log_k 0.51 + delta_h 0 kJ + -gamma 0 0 # Id: 1509731 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: H+ + Two_picoline = H(Two_picoline)+ - log_k 5.95 - delta_h -25.5224 kJ - -gamma 0 0 + log_k 5.95 + delta_h -25.5224 kJ + -gamma 0 0 # Id: 3309801 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Two_picoline = Cu(Two_picoline)+2 - log_k 1.3 - delta_h 0 kJ - -gamma 0 0 + log_k 1.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2319801 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Two_picoline = Cu(Two_picoline)2+2 - log_k 2.8 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Two_picoline = Cu(Two_picoline)2+2 + log_k 2.8 + delta_h 0 kJ + -gamma 0 0 # Id: 2319802 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+ + Two_picoline = Cu(Two_picoline)+ - log_k 5.4 - delta_h 0 kJ - -gamma 0 0 + log_k 5.4 + delta_h 0 kJ + -gamma 0 0 # Id: 2309801 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+ + 2Two_picoline = Cu(Two_picoline)2+ - log_k 7.65 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+ + 2 Two_picoline = Cu(Two_picoline)2+ + log_k 7.65 + delta_h 0 kJ + -gamma 0 0 # Id: 2309802 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+ + 3Two_picoline = Cu(Two_picoline)3+ - log_k 8.5 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+ + 3 Two_picoline = Cu(Two_picoline)3+ + log_k 8.5 + delta_h 0 kJ + -gamma 0 0 # Id: 2309803 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Two_picoline = Ag(Two_picoline)+ - log_k 2.32 - delta_h -24.2672 kJ - -gamma 0 0 + log_k 2.32 + delta_h -24.2672 kJ + -gamma 0 0 # Id: 209801 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Two_picoline = Ag(Two_picoline)2+ - log_k 4.68 - delta_h -42.6768 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Two_picoline = Ag(Two_picoline)2+ + log_k 4.68 + delta_h -42.6768 kJ + -gamma 0 0 # Id: 209802 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Two_picoline = Ni(Two_picoline)+2 - log_k 0.4 - delta_h 0 kJ - -gamma 0 0 + log_k 0.4 + delta_h 0 kJ + -gamma 0 0 # Id: 5409801 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Three_picoline = H(Three_picoline)+ - log_k 5.7 - delta_h -23.8488 kJ - -gamma 0 0 + log_k 5.7 + delta_h -23.8488 kJ + -gamma 0 0 # Id: 3309811 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Three_picoline = Zn(Three_picoline)+2 - log_k 1 - delta_h 0 kJ - -gamma 0 0 + log_k 1 + delta_h 0 kJ + -gamma 0 0 # Id: 9509811 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 2Three_picoline = Zn(Three_picoline)2+2 - log_k 2.1 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 2 Three_picoline = Zn(Three_picoline)2+2 + log_k 2.1 + delta_h 0 kJ + -gamma 0 0 # Id: 9509812 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 3Three_picoline = Zn(Three_picoline)3+2 - log_k 2.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 3 Three_picoline = Zn(Three_picoline)3+2 + log_k 2.6 + delta_h 0 kJ + -gamma 0 0 # Id: 9509813 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 4Three_picoline = Zn(Three_picoline)4+2 - log_k 3.7 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 4 Three_picoline = Zn(Three_picoline)4+2 + log_k 3.7 + delta_h 0 kJ + -gamma 0 0 # Id: 9509814 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Three_picoline = Cd(Three_picoline)+2 - log_k 1.42 - delta_h 0 kJ - -gamma 0 0 + log_k 1.42 + delta_h 0 kJ + -gamma 0 0 # Id: 1609811 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 2Three_picoline = Cd(Three_picoline)2+2 - log_k 2.27 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 2 Three_picoline = Cd(Three_picoline)2+2 + log_k 2.27 + delta_h 0 kJ + -gamma 0 0 # Id: 1609812 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 3Three_picoline = Cd(Three_picoline)3+2 - log_k 3.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 3 Three_picoline = Cd(Three_picoline)3+2 + log_k 3.6 + delta_h 0 kJ + -gamma 0 0 # Id: 1609813 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 4Three_picoline = Cd(Three_picoline)4+2 - log_k 4 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 4 Three_picoline = Cd(Three_picoline)4+2 + log_k 4 + delta_h 0 kJ + -gamma 0 0 # Id: 1609814 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+ + Three_picoline = Cu(Three_picoline)+ - log_k 5.6 - delta_h 0 kJ - -gamma 0 0 + log_k 5.6 + delta_h 0 kJ + -gamma 0 0 # Id: 2309811 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+ + 2Three_picoline = Cu(Three_picoline)2+ - log_k 7.78 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+ + 2 Three_picoline = Cu(Three_picoline)2+ + log_k 7.78 + delta_h 0 kJ + -gamma 0 0 # Id: 2309812 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+ + 3Three_picoline = Cu(Three_picoline)3+ - log_k 8.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+ + 3 Three_picoline = Cu(Three_picoline)3+ + log_k 8.6 + delta_h 0 kJ + -gamma 0 0 # Id: 2309813 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+ + 4Three_picoline = Cu(Three_picoline)4+ - log_k 9 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+ + 4 Three_picoline = Cu(Three_picoline)4+ + log_k 9 + delta_h 0 kJ + -gamma 0 0 # Id: 2309814 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Three_picoline = Cu(Three_picoline)+2 - log_k 2.77 - delta_h 0 kJ - -gamma 0 0 + log_k 2.77 + delta_h 0 kJ + -gamma 0 0 # Id: 2319811 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Three_picoline = Cu(Three_picoline)2+2 - log_k 4.8 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Three_picoline = Cu(Three_picoline)2+2 + log_k 4.8 + delta_h 0 kJ + -gamma 0 0 # Id: 2319812 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 3Three_picoline = Cu(Three_picoline)3+2 - log_k 6.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 3 Three_picoline = Cu(Three_picoline)3+2 + log_k 6.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2319813 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 4Three_picoline = Cu(Three_picoline)4+2 - log_k 7.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 4 Three_picoline = Cu(Three_picoline)4+2 + log_k 7.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2319814 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Three_picoline = Ag(Three_picoline)+ - log_k 2.2 - delta_h -21.7568 kJ - -gamma 0 0 + log_k 2.2 + delta_h -21.7568 kJ + -gamma 0 0 # Id: 209811 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Three_picoline = Ag(Three_picoline)2+ - log_k 4.46 - delta_h -49.7896 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Three_picoline = Ag(Three_picoline)2+ + log_k 4.46 + delta_h -49.7896 kJ + -gamma 0 0 # Id: 209812 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Three_picoline = Ni(Three_picoline)+2 - log_k 1.87 - delta_h 0 kJ - -gamma 0 0 + log_k 1.87 + delta_h 0 kJ + -gamma 0 0 # Id: 5409811 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 2Three_picoline = Ni(Three_picoline)2+2 - log_k 3.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 2 Three_picoline = Ni(Three_picoline)2+2 + log_k 3.3 + delta_h 0 kJ + -gamma 0 0 # Id: 5409812 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 3Three_picoline = Ni(Three_picoline)3+2 - log_k 4.1 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 3 Three_picoline = Ni(Three_picoline)3+2 + log_k 4.1 + delta_h 0 kJ + -gamma 0 0 # Id: 5409813 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 4Three_picoline = Ni(Three_picoline)4+2 - log_k 4.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 4 Three_picoline = Ni(Three_picoline)4+2 + log_k 4.6 + delta_h 0 kJ + -gamma 0 0 # Id: 5409814 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Three_picoline = Co(Three_picoline)+2 - log_k 1.4 - delta_h 0 kJ - -gamma 0 0 + log_k 1.4 + delta_h 0 kJ + -gamma 0 0 # Id: 2009811 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 -Co+2 + 2Three_picoline = Co(Three_picoline)2+2 - log_k 2.2 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 Three_picoline = Co(Three_picoline)2+2 + log_k 2.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2009812 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 -Co+2 + 3Three_picoline = Co(Three_picoline)3+2 - log_k 2.5 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 3 Three_picoline = Co(Three_picoline)3+2 + log_k 2.5 + delta_h 0 kJ + -gamma 0 0 # Id: 2009813 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 H+ + Four_picoline = H(Four_picoline)+ - log_k 6.03 - delta_h -25.3132 kJ - -gamma 0 0 + log_k 6.03 + delta_h -25.3132 kJ + -gamma 0 0 # Id: 3309821 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Four_picoline = Zn(Four_picoline)+2 - log_k 1.4 - delta_h 0 kJ - -gamma 0 0 + log_k 1.4 + delta_h 0 kJ + -gamma 0 0 # Id: 9509821 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 2Four_picoline = Zn(Four_picoline)2+2 - log_k 2.11 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 2 Four_picoline = Zn(Four_picoline)2+2 + log_k 2.11 + delta_h 0 kJ + -gamma 0 0 # Id: 9509822 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 3Four_picoline = Zn(Four_picoline)3+2 - log_k 2.85 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 3 Four_picoline = Zn(Four_picoline)3+2 + log_k 2.85 + delta_h 0 kJ + -gamma 0 0 # Id: 9509823 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Four_picoline = Cd(Four_picoline)+2 - log_k 1.59 - delta_h 0 kJ - -gamma 0 0 + log_k 1.59 + delta_h 0 kJ + -gamma 0 0 # Id: 1609821 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 2Four_picoline = Cd(Four_picoline)2+2 - log_k 2.4 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 2 Four_picoline = Cd(Four_picoline)2+2 + log_k 2.4 + delta_h 0 kJ + -gamma 0 0 # Id: 1609822 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 3Four_picoline = Cd(Four_picoline)3+2 - log_k 3.18 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 3 Four_picoline = Cd(Four_picoline)3+2 + log_k 3.18 + delta_h 0 kJ + -gamma 0 0 # Id: 1609823 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cd+2 + 4Four_picoline = Cd(Four_picoline)4+2 - log_k 4 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cd+2 + 4 Four_picoline = Cd(Four_picoline)4+2 + log_k 4 + delta_h 0 kJ + -gamma 0 0 # Id: 1609824 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+ + Four_picoline = Cu(Four_picoline)+ - log_k 5.65 - delta_h 0 kJ - -gamma 0 0 + log_k 5.65 + delta_h 0 kJ + -gamma 0 0 # Id: 2309821 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+ + 2Four_picoline = Cu(Four_picoline)2+ - log_k 8.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+ + 2 Four_picoline = Cu(Four_picoline)2+ + log_k 8.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2309822 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+ + 3Four_picoline = Cu(Four_picoline)3+ - log_k 8.8 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+ + 3 Four_picoline = Cu(Four_picoline)3+ + log_k 8.8 + delta_h 0 kJ + -gamma 0 0 # Id: 2309823 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+ + 4Four_picoline = Cu(Four_picoline)4+ - log_k 9.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+ + 4 Four_picoline = Cu(Four_picoline)4+ + log_k 9.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2309824 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Four_picoline = Cu(Four_picoline)+2 - log_k 2.88 - delta_h 0 kJ - -gamma 0 0 + log_k 2.88 + delta_h 0 kJ + -gamma 0 0 # Id: 2319821 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Four_picoline = Cu(Four_picoline)2+2 - log_k 5.16 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Four_picoline = Cu(Four_picoline)2+2 + log_k 5.16 + delta_h 0 kJ + -gamma 0 0 # Id: 2319822 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 3Four_picoline = Cu(Four_picoline)3+2 - log_k 6.77 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 3 Four_picoline = Cu(Four_picoline)3+2 + log_k 6.77 + delta_h 0 kJ + -gamma 0 0 # Id: 2319823 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 4Four_picoline = Cu(Four_picoline)4+2 - log_k 8.08 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 4 Four_picoline = Cu(Four_picoline)4+2 + log_k 8.08 + delta_h 0 kJ + -gamma 0 0 # Id: 2319824 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 5Four_picoline = Cu(Four_picoline)5+2 - log_k 8.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 5 Four_picoline = Cu(Four_picoline)5+2 + log_k 8.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2319825 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Four_picoline = Ag(Four_picoline)+ - log_k 2.03 - delta_h -25.5224 kJ - -gamma 0 0 + log_k 2.03 + delta_h -25.5224 kJ + -gamma 0 0 # Id: 209821 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Four_picoline = Ag(Four_picoline)2+ - log_k 4.39 - delta_h -53.5552 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Four_picoline = Ag(Four_picoline)2+ + log_k 4.39 + delta_h -53.5552 kJ + -gamma 0 0 # Id: 209822 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Four_picoline = Ni(Four_picoline)+2 - log_k 2.11 - delta_h 0 kJ - -gamma 0 0 + log_k 2.11 + delta_h 0 kJ + -gamma 0 0 # Id: 5409821 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 2Four_picoline = Ni(Four_picoline)2+2 - log_k 3.59 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 2 Four_picoline = Ni(Four_picoline)2+2 + log_k 3.59 + delta_h 0 kJ + -gamma 0 0 # Id: 5409822 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 3Four_picoline = Ni(Four_picoline)3+2 - log_k 4.34 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 3 Four_picoline = Ni(Four_picoline)3+2 + log_k 4.34 + delta_h 0 kJ + -gamma 0 0 # Id: 5409823 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 4Four_picoline = Ni(Four_picoline)4+2 - log_k 4.7 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 4 Four_picoline = Ni(Four_picoline)4+2 + log_k 4.7 + delta_h 0 kJ + -gamma 0 0 # Id: 5409824 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Four_picoline = Co(Four_picoline)+2 - log_k 1.56 - delta_h 0 kJ - -gamma 0 0 + log_k 1.56 + delta_h 0 kJ + -gamma 0 0 # Id: 2009821 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 -Co+2 + 2Four_picoline = Co(Four_picoline)2+2 - log_k 2.51 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 Four_picoline = Co(Four_picoline)2+2 + log_k 2.51 + delta_h 0 kJ + -gamma 0 0 # Id: 2009822 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 -Co+2 + 3Four_picoline = Co(Four_picoline)3+2 - log_k 2.94 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 3 Four_picoline = Co(Four_picoline)3+2 + log_k 2.94 + delta_h 0 kJ + -gamma 0 0 # Id: 2009823 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 -Co+2 + 4Four_picoline = Co(Four_picoline)4+2 - log_k 3.17 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 4 Four_picoline = Co(Four_picoline)4+2 + log_k 3.17 + delta_h 0 kJ + -gamma 0 0 # Id: 2009824 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 H+ + Formate- = H(Formate) - log_k 3.745 - delta_h 0.1674 kJ - -gamma 0 0 + log_k 3.745 + delta_h 0.1674 kJ + -gamma 0 0 # Id: 3309831 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Formate- = Pb(Formate)+ - log_k 2.2 - delta_h 0 kJ - -gamma 0 0 + log_k 2.2 + delta_h 0 kJ + -gamma 0 0 # Id: 6009831 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Zn+2 + Formate- = Zn(Formate)+ - log_k 1.44 - delta_h 0 kJ - -gamma 0 0 + log_k 1.44 + delta_h 0 kJ + -gamma 0 0 # Id: 9509831 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Formate- = Cd(Formate)+ - log_k 1.7 - delta_h 0 kJ - -gamma 0 0 + log_k 1.7 + delta_h 0 kJ + -gamma 0 0 # Id: 1609831 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Hg(OH)2 + Formate- + 2H+ = Hg(Formate)+ + 2H2O - log_k 9.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Hg(OH)2 + Formate- + 2 H+ = Hg(Formate)+ + 2 H2O + log_k 9.6 + delta_h 0 kJ + -gamma 0 0 # Id: 3619831 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Formate- = Cu(Formate)+ - log_k 2 - delta_h 0 kJ - -gamma 0 0 + log_k 2 + delta_h 0 kJ + -gamma 0 0 # Id: 2319831 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Formate- = Ni(Formate)+ - log_k 1.22 - delta_h 0 kJ - -gamma 0 0 + log_k 1.22 + delta_h 0 kJ + -gamma 0 0 # Id: 5409831 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Co+2 + Formate- = Co(Formate)+ - log_k 1.209 - delta_h 0 kJ - -gamma 0 0 + log_k 1.209 + delta_h 0 kJ + -gamma 0 0 # Id: 2009831 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 30.0 -Co+2 + 2Formate- = Co(Formate)2 - log_k 1.1365 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 Formate- = Co(Formate)2 + log_k 1.1365 + delta_h 0 kJ + -gamma 0 0 # Id: 2009832 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 2.00 25.0 Cr+2 + Formate- = Cr(Formate)+ - log_k 1.07 - delta_h 0 kJ - -gamma 0 0 + log_k 1.07 + delta_h 0 kJ + -gamma 0 0 # Id: 2109831 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mg+2 + Formate- = Mg(Formate)+ - log_k 1.43 - delta_h 0 kJ - -gamma 0 0 + log_k 1.43 + delta_h 0 kJ + -gamma 0 0 # Id: 4609831 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Formate- = Ca(Formate)+ - log_k 1.43 - delta_h 4.184 kJ - -gamma 0 0 + log_k 1.43 + delta_h 4.184 kJ + -gamma 0 0 # Id: 1509831 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Sr+2 + Formate- = Sr(Formate)+ - log_k 1.39 - delta_h 4 kJ - -gamma 0 0 + log_k 1.39 + delta_h 4 kJ + -gamma 0 0 # Id: 8009831 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ba+2 + Formate- = Ba(Formate)+ - log_k 1.38 - delta_h 0 kJ - -gamma 0 0 + log_k 1.38 + delta_h 0 kJ + -gamma 0 0 # Id: 1009831 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Isovalerate- = H(Isovalerate) - log_k 4.781 - delta_h 4.5606 kJ - -gamma 0 0 + log_k 4.781 + delta_h 4.5606 kJ + -gamma 0 0 # Id: 3309841 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Isovalerate- = Zn(Isovalerate)+ - log_k 1.39 - delta_h 0 kJ - -gamma 0 0 + log_k 1.39 + delta_h 0 kJ + -gamma 0 0 # Id: 9509841 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Isovalerate- = Cu(Isovalerate)+ - log_k 2.08 - delta_h 0 kJ - -gamma 0 0 + log_k 2.08 + delta_h 0 kJ + -gamma 0 0 # Id: 2319841 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Isovalerate- = Ca(Isovalerate)+ - log_k 0.2 - delta_h 0 kJ - -gamma 0 0 + log_k 0.2 + delta_h 0 kJ + -gamma 0 0 # Id: 1509841 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: H+ + Valerate- = H(Valerate) - log_k 4.843 - delta_h 2.887 kJ - -gamma 0 0 + log_k 4.843 + delta_h 2.887 kJ + -gamma 0 0 # Id: 3309851 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Valerate- = Cu(Valerate)+ - log_k 2.12 - delta_h 0 kJ - -gamma 0 0 + log_k 2.12 + delta_h 0 kJ + -gamma 0 0 # Id: 2319851 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Valerate- = Ca(Valerate)+ - log_k 0.3 - delta_h 0 kJ - -gamma 0 0 + log_k 0.3 + delta_h 0 kJ + -gamma 0 0 # Id: 1509851 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Ba+2 + Valerate- = Ba(Valerate)+ - log_k -0.2 - delta_h 0 kJ - -gamma 0 0 + log_k -0.2 + delta_h 0 kJ + -gamma 0 0 # Id: 1009851 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: H+ + Acetate- = H(Acetate) - log_k 4.757 - delta_h 0.41 kJ - -gamma 0 0 + log_k 4.757 + delta_h 0.41 kJ + -gamma 0 0 # Id: 3309921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Sn(OH)2 + 2H+ + Acetate- = Sn(Acetate)+ + 2H2O - log_k 10.0213 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + Acetate- = Sn(Acetate)+ + 2 H2O + log_k 10.0213 + delta_h 0 kJ + -gamma 0 0 # Id: 7909921 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 3.00 25.0 -Sn(OH)2 + 2H+ + 2Acetate- = Sn(Acetate)2 + 2H2O - log_k 12.32 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + 2 Acetate- = Sn(Acetate)2 + 2 H2O + log_k 12.32 + delta_h 0 kJ + -gamma 0 0 # Id: 7909922 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 3.00 25.0 -Sn(OH)2 + 2H+ + 3Acetate- = Sn(Acetate)3- + 2H2O - log_k 13.55 - delta_h 0 kJ - -gamma 0 0 +Sn(OH)2 + 2 H+ + 3 Acetate- = Sn(Acetate)3- + 2 H2O + log_k 13.55 + delta_h 0 kJ + -gamma 0 0 # Id: 7909923 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 3.00 25.0 Pb+2 + Acetate- = Pb(Acetate)+ - log_k 2.68 - delta_h -0.4 kJ - -gamma 0 0 + log_k 2.68 + delta_h -0.4 kJ + -gamma 0 0 # Id: 6009921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Pb+2 + 2Acetate- = Pb(Acetate)2 - log_k 4.08 - delta_h -0.8 kJ - -gamma 0 0 +Pb+2 + 2 Acetate- = Pb(Acetate)2 + log_k 4.08 + delta_h -0.8 kJ + -gamma 0 0 # Id: 6009922 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Tl+ + Acetate- = Tl(Acetate) - log_k -0.11 - delta_h 0 kJ - -gamma 0 0 + log_k -0.11 + delta_h 0 kJ + -gamma 0 0 # Id: 8709921 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Zn+2 + Acetate- = Zn(Acetate)+ - log_k 1.58 - delta_h 8.3 kJ - -gamma 0 0 + log_k 1.58 + delta_h 8.3 kJ + -gamma 0 0 # Id: 9509921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Zn+2 + 2Acetate- = Zn(Acetate)2 - log_k 2.6434 - delta_h 22 kJ - -gamma 0 0 +Zn+2 + 2 Acetate- = Zn(Acetate)2 + log_k 2.6434 + delta_h 22 kJ + -gamma 0 0 # Id: 9509922 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Cd+2 + Acetate- = Cd(Acetate)+ - log_k 1.93 - delta_h 9.6 kJ - -gamma 0 0 + log_k 1.93 + delta_h 9.6 kJ + -gamma 0 0 # Id: 1609921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cd+2 + 2Acetate- = Cd(Acetate)2 - log_k 2.86 - delta_h 15 kJ - -gamma 0 0 +Cd+2 + 2 Acetate- = Cd(Acetate)2 + log_k 2.86 + delta_h 15 kJ + -gamma 0 0 # Id: 1609922 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + Acetate- = Hg(Acetate)+ + 2H2O - log_k 10.494 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + Acetate- = Hg(Acetate)+ + 2 H2O + log_k 10.494 + delta_h 0 kJ + -gamma 0 0 # Id: 3619920 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 -Hg(OH)2 + 2H+ + 2Acetate- = Hg(Acetate)2 + 2H2O - log_k 13.83 - delta_h 0 kJ - -gamma 0 0 +Hg(OH)2 + 2 H+ + 2 Acetate- = Hg(Acetate)2 + 2 H2O + log_k 13.83 + delta_h 0 kJ + -gamma 0 0 # Id: 3619921 - # log K source: NIST46.4 - # Delta H source: SCD2.62 + # log K source: NIST46.4 + # Delta H source: SCD2.62 #T and ionic strength: 3.00 25.0 Cu+2 + Acetate- = Cu(Acetate)+ - log_k 2.21 - delta_h 7.1 kJ - -gamma 0 0 + log_k 2.21 + delta_h 7.1 kJ + -gamma 0 0 # Id: 2319921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cu+2 + 2Acetate- = Cu(Acetate)2 - log_k 3.4 - delta_h 12 kJ - -gamma 0 0 +Cu+2 + 2 Acetate- = Cu(Acetate)2 + log_k 3.4 + delta_h 12 kJ + -gamma 0 0 # Id: 2319922 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Cu+2 + 3Acetate- = Cu(Acetate)3- - log_k 3.9434 - delta_h 6.2 kJ - -gamma 0 0 +Cu+2 + 3 Acetate- = Cu(Acetate)3- + log_k 3.9434 + delta_h 6.2 kJ + -gamma 0 0 # Id: 2319923 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 Ag+ + Acetate- = Ag(Acetate) - log_k 0.73 - delta_h 3 kJ - -gamma 0 0 + log_k 0.73 + delta_h 3 kJ + -gamma 0 0 # Id: 209921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ag+ + 2Acetate- = Ag(Acetate)2- - log_k 0.64 - delta_h 3 kJ - -gamma 0 0 +Ag+ + 2 Acetate- = Ag(Acetate)2- + log_k 0.64 + delta_h 3 kJ + -gamma 0 0 # Id: 209922 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Ni+2 + Acetate- = Ni(Acetate)+ - log_k 1.37 - delta_h 8.7 kJ - -gamma 0 0 + log_k 1.37 + delta_h 8.7 kJ + -gamma 0 0 # Id: 5409921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Ni+2 + 2Acetate- = Ni(Acetate)2 - log_k 2.1 - delta_h 10 kJ - -gamma 0 0 +Ni+2 + 2 Acetate- = Ni(Acetate)2 + log_k 2.1 + delta_h 10 kJ + -gamma 0 0 # Id: 5409922 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Co+2 + Acetate- = Co(Acetate)+ - log_k 1.38 - delta_h 0 kJ - -gamma 0 0 + log_k 1.38 + delta_h 0 kJ + -gamma 0 0 # Id: 2009921 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 -Co+2 + 2Acetate- = Co(Acetate)2 - log_k 0.7565 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 Acetate- = Co(Acetate)2 + log_k 0.7565 + delta_h 0 kJ + -gamma 0 0 # Id: 2009922 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 2.00 25.0 Fe+2 + Acetate- = Fe(Acetate)+ - log_k 1.4 - delta_h 0 kJ - -gamma 0 0 + log_k 1.4 + delta_h 0 kJ + -gamma 0 0 # Id: 2809920 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Fe+3 + Acetate- = Fe(Acetate)+2 - log_k 4.0234 - delta_h 0 kJ - -gamma 0 0 + log_k 4.0234 + delta_h 0 kJ + -gamma 0 0 # Id: 2819920 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 20.0 -Fe+3 + 2Acetate- = Fe(Acetate)2+ - log_k 7.5723 - delta_h 0 kJ - -gamma 0 0 +Fe+3 + 2 Acetate- = Fe(Acetate)2+ + log_k 7.5723 + delta_h 0 kJ + -gamma 0 0 # Id: 2819921 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 20.0 -Fe+3 + 3Acetate- = Fe(Acetate)3 - log_k 9.5867 - delta_h 0 kJ - -gamma 0 0 +Fe+3 + 3 Acetate- = Fe(Acetate)3 + log_k 9.5867 + delta_h 0 kJ + -gamma 0 0 # Id: 2819922 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 20.0 Mn+2 + Acetate- = Mn(Acetate)+ - log_k 1.4 - delta_h 0 kJ - -gamma 0 0 + log_k 1.4 + delta_h 0 kJ + -gamma 0 0 # Id: 4709920 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Cr+2 + Acetate- = Cr(Acetate)+ - log_k 1.8 - delta_h 0 kJ - -gamma 0 0 + log_k 1.8 + delta_h 0 kJ + -gamma 0 0 # Id: 2109921 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 -Cr+2 + 2Acetate- = Cr(Acetate)2 - log_k 2.92 - delta_h 0 kJ - -gamma 0 0 +Cr+2 + 2 Acetate- = Cr(Acetate)2 + log_k 2.92 + delta_h 0 kJ + -gamma 0 0 # Id: 2109922 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 -Cr(OH)2+ + 2H+ + Acetate- = Cr(Acetate)+2 + 2H2O - log_k 15.0073 - delta_h -125.62 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ + Acetate- = Cr(Acetate)+2 + 2 H2O + log_k 15.0073 + delta_h -125.62 kJ + -gamma 0 0 # Id: 2119921 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 -Cr(OH)2+ + 2H+ + 2Acetate- = Cr(Acetate)2+ + 2H2O - log_k 17.9963 - delta_h -117.62 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ + 2 Acetate- = Cr(Acetate)2+ + 2 H2O + log_k 17.9963 + delta_h -117.62 kJ + -gamma 0 0 # Id: 2119922 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 -Cr(OH)2+ + 2H+ + 3Acetate- = Cr(Acetate)3 + 2H2O - log_k 20.7858 - delta_h -96.62 kJ - -gamma 0 0 +Cr(OH)2+ + 2 H+ + 3 Acetate- = Cr(Acetate)3 + 2 H2O + log_k 20.7858 + delta_h -96.62 kJ + -gamma 0 0 # Id: 2119923 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.50 25.0 Be+2 + Acetate- = Be(Acetate)+ - log_k 2.0489 - delta_h 0 kJ - -gamma 0 0 + log_k 2.0489 + delta_h 0 kJ + -gamma 0 0 # Id: 1109921 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 -Be+2 + 2Acetate- = Be(Acetate)2 - log_k 3.0034 - delta_h 0 kJ - -gamma 0 0 +Be+2 + 2 Acetate- = Be(Acetate)2 + log_k 3.0034 + delta_h 0 kJ + -gamma 0 0 # Id: 1109922 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Mg+2 + Acetate- = Mg(Acetate)+ - log_k 1.27 - delta_h 0 kJ - -gamma 0 0 + log_k 1.27 + delta_h 0 kJ + -gamma 0 0 # Id: 4609920 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Ca+2 + Acetate- = Ca(Acetate)+ - log_k 1.18 - delta_h 4 kJ - -gamma 0 0 + log_k 1.18 + delta_h 4 kJ + -gamma 0 0 # Id: 1509920 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Sr+2 + Acetate- = Sr(Acetate)+ - log_k 1.14 - delta_h 0 kJ - -gamma 0 0 + log_k 1.14 + delta_h 0 kJ + -gamma 0 0 # Id: 8009921 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Ba+2 + Acetate- = Ba(Acetate)+ - log_k 1.07 - delta_h 0 kJ - -gamma 0 0 + log_k 1.07 + delta_h 0 kJ + -gamma 0 0 # Id: 1009921 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Na+ + Acetate- = Na(Acetate) - log_k -0.18 - delta_h 12 kJ - -gamma 0 0 + log_k -0.18 + delta_h 12 kJ + -gamma 0 0 # Id: 5009920 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 K+ + Acetate- = K(Acetate) - log_k -0.1955 - delta_h 4.184 kJ - -gamma 0 0 + log_k -0.1955 + delta_h 4.184 kJ + -gamma 0 0 # Id: 4109921 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 H+ + Tartarate-2 = H(Tartarate)- - log_k 4.366 - delta_h -0.7531 kJ - -gamma 0 0 + log_k 4.366 + delta_h -0.7531 kJ + -gamma 0 0 # Id: 3309931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2H+ + Tartarate-2 = H2(Tartarate) - log_k 7.402 - delta_h -3.6819 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 H+ + Tartarate-2 = H2(Tartarate) + log_k 7.402 + delta_h -3.6819 kJ + -gamma 0 0 # Id: 3309932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Sn(OH)2 + 2H+ + Tartarate-2 = Sn(Tartarate) + 2H2O - log_k 13.1518 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Sn(OH)2 + 2 H+ + Tartarate-2 = Sn(Tartarate) + 2 H2O + log_k 13.1518 + delta_h 0 kJ + -gamma 0 0 # Id: 7909931 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 20.0 Pb+2 + Tartarate-2 = Pb(Tartarate) - log_k 3.98 - delta_h 0 kJ - -gamma 0 0 + log_k 3.98 + delta_h 0 kJ + -gamma 0 0 # Id: 6009931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Al+3 + 2Tartarate-2 = Al(Tartarate)2- - log_k 9.37 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Al+3 + 2 Tartarate-2 = Al(Tartarate)2- + log_k 9.37 + delta_h 0 kJ + -gamma 0 0 # Id: 309931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Tl+ + Tartarate-2 = Tl(Tartarate)- - log_k 1.4 - delta_h 0 kJ - -gamma 0 0 + log_k 1.4 + delta_h 0 kJ + -gamma 0 0 # Id: 8709931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Tl+ + Tartarate-2 + H+ = TlH(Tartarate) - log_k 4.8 - delta_h 0 kJ - -gamma 0 0 + log_k 4.8 + delta_h 0 kJ + -gamma 0 0 # Id: 8709932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Tartarate-2 = Zn(Tartarate) - log_k 3.43 - delta_h 0 kJ - -gamma 0 0 + log_k 3.43 + delta_h 0 kJ + -gamma 0 0 # Id: 9509931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 2Tartarate-2 = Zn(Tartarate)2-2 - log_k 5.5 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 2 Tartarate-2 = Zn(Tartarate)2-2 + log_k 5.5 + delta_h 0 kJ + -gamma 0 0 # Id: 9509932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Tartarate-2 + H+ = ZnH(Tartarate)+ - log_k 5.9 - delta_h 0 kJ - -gamma 0 0 + log_k 5.9 + delta_h 0 kJ + -gamma 0 0 # Id: 9509933 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Tartarate-2 = Cd(Tartarate) - log_k 2.7 - delta_h 0 kJ - -gamma 0 0 + log_k 2.7 + delta_h 0 kJ + -gamma 0 0 # Id: 1609931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 2Tartarate-2 = Cd(Tartarate)2-2 - log_k 4.1 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 2 Tartarate-2 = Cd(Tartarate)2-2 + log_k 4.1 + delta_h 0 kJ + -gamma 0 0 # Id: 1609932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Tartarate-2 + 2H+ = Hg(Tartarate) + 2H2O - log_k 14 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Tartarate-2 + 2 H+ = Hg(Tartarate) + 2 H2O + log_k 14 + delta_h 0 kJ + -gamma 0 0 # Id: 3619931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Tartarate-2 = Cu(Tartarate) - log_k 3.97 - delta_h 0 kJ - -gamma 0 0 + log_k 3.97 + delta_h 0 kJ + -gamma 0 0 # Id: 2319931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Tartarate-2 + H+ = CuH(Tartarate)+ - log_k 6.7 - delta_h 0 kJ - -gamma 0 0 + log_k 6.7 + delta_h 0 kJ + -gamma 0 0 # Id: 2319932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Tartarate-2 = Ni(Tartarate) - log_k 3.46 - delta_h 0 kJ - -gamma 0 0 + log_k 3.46 + delta_h 0 kJ + -gamma 0 0 # Id: 5409931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Tartarate-2 + H+ = NiH(Tartarate)+ - log_k 5.89 - delta_h 0 kJ - -gamma 0 0 + log_k 5.89 + delta_h 0 kJ + -gamma 0 0 # Id: 5409932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Tartarate-2 = Co(Tartarate) - log_k 3.05 - delta_h 0 kJ - -gamma 0 0 + log_k 3.05 + delta_h 0 kJ + -gamma 0 0 # Id: 2009931 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 -Co+2 + 2Tartarate-2 = Co(Tartarate)2-2 - log_k 4 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 Tartarate-2 = Co(Tartarate)2-2 + log_k 4 + delta_h 0 kJ + -gamma 0 0 # Id: 2009932 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Co+2 + H+ + Tartarate-2 = CoH(Tartarate)+ - log_k 5.754 - delta_h 0 kJ - -gamma 0 0 + log_k 5.754 + delta_h 0 kJ + -gamma 0 0 # Id: 2009933 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 1.00 20.0 Fe+2 + Tartarate-2 = Fe(Tartarate) - log_k 3.1 - delta_h 0 kJ - -gamma 0 0 + log_k 3.1 + delta_h 0 kJ + -gamma 0 0 # Id: 2809931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Tartarate-2 = Fe(Tartarate)+ - log_k 7.78 - delta_h 0 kJ - -gamma 0 0 + log_k 7.78 + delta_h 0 kJ + -gamma 0 0 # Id: 2819931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mn+2 + Tartarate-2 = Mn(Tartarate) - log_k 3.38 - delta_h 0 kJ - -gamma 0 0 + log_k 3.38 + delta_h 0 kJ + -gamma 0 0 # Id: 4709931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mn+2 + Tartarate-2 + H+ = MnH(Tartarate)+ - log_k 6 - delta_h 0 kJ - -gamma 0 0 + log_k 6 + delta_h 0 kJ + -gamma 0 0 # Id: 4709932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mg+2 + Tartarate-2 = Mg(Tartarate) - log_k 2.3 - delta_h 0 kJ - -gamma 0 0 + log_k 2.3 + delta_h 0 kJ + -gamma 0 0 # Id: 4609931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mg+2 + Tartarate-2 + H+ = MgH(Tartarate)+ - log_k 5.75 - delta_h 0 kJ - -gamma 0 0 + log_k 5.75 + delta_h 0 kJ + -gamma 0 0 # Id: 4609932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Be+2 + Tartarate-2 = Be(Tartarate) - log_k 2.768 - delta_h 0 kJ - -gamma 0 0 + log_k 2.768 + delta_h 0 kJ + -gamma 0 0 # Id: 1109931 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 -Be+2 + 2Tartarate-2 = Be(Tartarate)2-2 - log_k 4.008 - delta_h 0 kJ - -gamma 0 0 +Be+2 + 2 Tartarate-2 = Be(Tartarate)2-2 + log_k 4.008 + delta_h 0 kJ + -gamma 0 0 # Id: 1109932 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 Ca+2 + Tartarate-2 = Ca(Tartarate) - log_k 2.8 - delta_h -8.368 kJ - -gamma 0 0 + log_k 2.8 + delta_h -8.368 kJ + -gamma 0 0 # Id: 1509931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Tartarate-2 + H+ = CaH(Tartarate)+ - log_k 5.86 - delta_h -9.1211 kJ - -gamma 0 0 + log_k 5.86 + delta_h -9.1211 kJ + -gamma 0 0 # Id: 1509932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Sr+2 + Tartarate-2 = Sr(Tartarate) - log_k 2.55 - delta_h 0 kJ - -gamma 0 0 + log_k 2.55 + delta_h 0 kJ + -gamma 0 0 # Id: 8009931 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 20.0 Sr+2 + H+ + Tartarate-2 = SrH(Tartarate)+ - log_k 5.8949 - delta_h 0 kJ - -gamma 0 0 + log_k 5.8949 + delta_h 0 kJ + -gamma 0 0 # Id: 8009932 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Ba+2 + Tartarate-2 = Ba(Tartarate) - log_k 2.54 - delta_h 0 kJ - -gamma 0 0 + log_k 2.54 + delta_h 0 kJ + -gamma 0 0 # Id: 1009931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ba+2 + Tartarate-2 + H+ = BaH(Tartarate)+ - log_k 5.77 - delta_h 0 kJ - -gamma 0 0 + log_k 5.77 + delta_h 0 kJ + -gamma 0 0 # Id: 1009932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Na+ + Tartarate-2 = Na(Tartarate)- - log_k 0.9 - delta_h -0.8368 kJ - -gamma 0 0 + log_k 0.9 + delta_h -0.8368 kJ + -gamma 0 0 # Id: 5009931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Na+ + Tartarate-2 + H+ = NaH(Tartarate) - log_k 4.58 - delta_h -2.8451 kJ - -gamma 0 0 + log_k 4.58 + delta_h -2.8451 kJ + -gamma 0 0 # Id: 5009932 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: K+ + Tartarate-2 = K(Tartarate)- - log_k 0.8 - delta_h 0 kJ - -gamma 0 0 + log_k 0.8 + delta_h 0 kJ + -gamma 0 0 # Id: 4109931 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Glycine- = H(Glycine) - log_k 9.778 - delta_h -44.3504 kJ - -gamma 0 0 + log_k 9.778 + delta_h -44.3504 kJ + -gamma 0 0 # Id: 3309941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2H+ + Glycine- = H2(Glycine)+ - log_k 12.128 - delta_h -48.4507 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 H+ + Glycine- = H2(Glycine)+ + log_k 12.128 + delta_h -48.4507 kJ + -gamma 0 0 # Id: 3309942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Glycine- = Pb(Glycine)+ - log_k 5.47 - delta_h 0 kJ - -gamma 0 0 + log_k 5.47 + delta_h 0 kJ + -gamma 0 0 # Id: 6009941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Pb+2 + 2Glycine- = Pb(Glycine)2 - log_k 8.86 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Pb+2 + 2 Glycine- = Pb(Glycine)2 + log_k 8.86 + delta_h 0 kJ + -gamma 0 0 # Id: 6009942 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Tl+ + Glycine- = Tl(Glycine) - log_k 1.72 - delta_h 0 kJ - -gamma 0 0 + log_k 1.72 + delta_h 0 kJ + -gamma 0 0 # Id: 8709941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Glycine- = Zn(Glycine)+ - log_k 5.38 - delta_h -11.7152 kJ - -gamma 0 0 + log_k 5.38 + delta_h -11.7152 kJ + -gamma 0 0 # Id: 9509941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 2Glycine- = Zn(Glycine)2 - log_k 9.81 - delta_h -24.2672 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 2 Glycine- = Zn(Glycine)2 + log_k 9.81 + delta_h -24.2672 kJ + -gamma 0 0 # Id: 9509942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 3Glycine- = Zn(Glycine)3- - log_k 12.3 - delta_h -39.748 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 3 Glycine- = Zn(Glycine)3- + log_k 12.3 + delta_h -39.748 kJ + -gamma 0 0 # Id: 9509943 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Glycine- = Cd(Glycine)+ - log_k 4.69 - delta_h -8.7864 kJ - -gamma 0 0 + log_k 4.69 + delta_h -8.7864 kJ + -gamma 0 0 # Id: 1609941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 2Glycine- = Cd(Glycine)2 - log_k 8.4 - delta_h -22.5936 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 2 Glycine- = Cd(Glycine)2 + log_k 8.4 + delta_h -22.5936 kJ + -gamma 0 0 # Id: 1609942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 3Glycine- = Cd(Glycine)3- - log_k 10.7 - delta_h -35.9824 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 3 Glycine- = Cd(Glycine)3- + log_k 10.7 + delta_h -35.9824 kJ + -gamma 0 0 # Id: 1609943 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Glycine- + 2H+ = Hg(Glycine)+ + 2H2O - log_k 17 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Glycine- + 2 H+ = Hg(Glycine)+ + 2 H2O + log_k 17 + delta_h 0 kJ + -gamma 0 0 # Id: 3619941 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Hg(OH)2 + 2Glycine- + 2H+ = Hg(Glycine)2 + 2H2O - log_k 25.8 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Hg(OH)2 + 2 Glycine- + 2 H+ = Hg(Glycine)2 + 2 H2O + log_k 25.8 + delta_h 0 kJ + -gamma 0 0 # Id: 3619942 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cu+ + 2Glycine- = Cu(Glycine)2- - log_k 10.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cu+ + 2 Glycine- = Cu(Glycine)2- + log_k 10.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2309941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Glycine- = Cu(Glycine)+ - log_k 8.57 - delta_h -25.104 kJ - -gamma 0 0 + log_k 8.57 + delta_h -25.104 kJ + -gamma 0 0 # Id: 2319941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Glycine- = Cu(Glycine)2 - log_k 15.7 - delta_h -54.8104 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Glycine- = Cu(Glycine)2 + log_k 15.7 + delta_h -54.8104 kJ + -gamma 0 0 # Id: 2319942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Glycine- = Ag(Glycine) - log_k 3.51 - delta_h -19.2464 kJ - -gamma 0 0 + log_k 3.51 + delta_h -19.2464 kJ + -gamma 0 0 # Id: 209941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Glycine- = Ag(Glycine)2- - log_k 6.89 - delta_h -48.116 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Glycine- = Ag(Glycine)2- + log_k 6.89 + delta_h -48.116 kJ + -gamma 0 0 # Id: 209942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Glycine- = Ni(Glycine)+ - log_k 6.15 - delta_h -18.828 kJ - -gamma 0 0 + log_k 6.15 + delta_h -18.828 kJ + -gamma 0 0 # Id: 5409941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 2Glycine- = Ni(Glycine)2 - log_k 11.12 - delta_h -38.0744 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 2 Glycine- = Ni(Glycine)2 + log_k 11.12 + delta_h -38.0744 kJ + -gamma 0 0 # Id: 5409942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 3Glycine- = Ni(Glycine)3- - log_k 14.63 - delta_h -62.3416 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 3 Glycine- = Ni(Glycine)3- + log_k 14.63 + delta_h -62.3416 kJ + -gamma 0 0 # Id: 5409943 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Co+2 + Glycine- = Co(Glycine)+ - log_k 5.07 - delta_h -12 kJ - -gamma 0 0 + log_k 5.07 + delta_h -12 kJ + -gamma 0 0 # Id: 2009941 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Co+2 + 2Glycine- = Co(Glycine)2 - log_k 9.07 - delta_h -26 kJ - -gamma 0 0 +Co+2 + 2 Glycine- = Co(Glycine)2 + log_k 9.07 + delta_h -26 kJ + -gamma 0 0 # Id: 2009942 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 -Co+2 + 3Glycine- = Co(Glycine)3- - log_k 11.6 - delta_h -41 kJ - -gamma 0 0 +Co+2 + 3 Glycine- = Co(Glycine)3- + log_k 11.6 + delta_h -41 kJ + -gamma 0 0 # Id: 2009943 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Co+2 + Glycine- + H2O = CoOH(Glycine) + H+ - log_k -5.02 - delta_h 0 kJ - -gamma 0 0 + log_k -5.02 + delta_h 0 kJ + -gamma 0 0 # Id: 2009944 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Fe+2 + Glycine- = Fe(Glycine)+ - log_k 4.31 - delta_h -15.0624 kJ - -gamma 0 0 + log_k 4.31 + delta_h -15.0624 kJ + -gamma 0 0 # Id: 2809941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Fe+2 + 2Glycine- = Fe(Glycine)2 - log_k 8.29 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Fe+2 + 2 Glycine- = Fe(Glycine)2 + log_k 8.29 + delta_h 0 kJ + -gamma 0 0 # Id: 2809942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Glycine- = Fe(Glycine)+2 - log_k 9.38 - delta_h 0 kJ - -gamma 0 0 + log_k 9.38 + delta_h 0 kJ + -gamma 0 0 # Id: 2819941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Glycine- + H+ = FeH(Glycine)+3 - log_k 11.55 - delta_h 0 kJ - -gamma 0 0 + log_k 11.55 + delta_h 0 kJ + -gamma 0 0 # Id: 2819942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mn+2 + Glycine- = Mn(Glycine)+ - log_k 3.19 - delta_h -1.2552 kJ - -gamma 0 0 + log_k 3.19 + delta_h -1.2552 kJ + -gamma 0 0 # Id: 4709941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Mn+2 + 2Glycine- = Mn(Glycine)2 - log_k 5.4 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Mn+2 + 2 Glycine- = Mn(Glycine)2 + log_k 5.4 + delta_h 0 kJ + -gamma 0 0 # Id: 4709942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cr(OH)2+ + Glycine- + 2H+ = Cr(Glycine)+2 + 2H2O - log_k 18.7 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cr(OH)2+ + Glycine- + 2 H+ = Cr(Glycine)+2 + 2 H2O + log_k 18.7 + delta_h 0 kJ + -gamma 0 0 # Id: 2119941 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cr(OH)2+ + 2Glycine- + 2H+ = Cr(Glycine)2+ + 2H2O - log_k 25.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cr(OH)2+ + 2 Glycine- + 2 H+ = Cr(Glycine)2+ + 2 H2O + log_k 25.6 + delta_h 0 kJ + -gamma 0 0 # Id: 2119942 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cr(OH)2+ + 3Glycine- + 2H+ = Cr(Glycine)3 + 2H2O - log_k 31.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cr(OH)2+ + 3 Glycine- + 2 H+ = Cr(Glycine)3 + 2 H2O + log_k 31.6 + delta_h 0 kJ + -gamma 0 0 # Id: 2119943 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Mg+2 + Glycine- = Mg(Glycine)+ - log_k 2.08 - delta_h 4.184 kJ - -gamma 0 0 + log_k 2.08 + delta_h 4.184 kJ + -gamma 0 0 # Id: 4609941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Glycine- = Ca(Glycine)+ - log_k 1.39 - delta_h -4.184 kJ - -gamma 0 0 + log_k 1.39 + delta_h -4.184 kJ + -gamma 0 0 # Id: 1509941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Glycine- + H+ = CaH(Glycine)+2 - log_k 10.1 - delta_h -35.9824 kJ - -gamma 0 0 + log_k 10.1 + delta_h -35.9824 kJ + -gamma 0 0 # Id: 1509942 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Sr+2 + Glycine- = Sr(Glycine)+ - log_k 0.91 - delta_h 0 kJ - -gamma 0 0 + log_k 0.91 + delta_h 0 kJ + -gamma 0 0 # Id: 8009941 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.00 25.0 Ba+2 + Glycine- = Ba(Glycine)+ - log_k 0.77 - delta_h 0 kJ - -gamma 0 0 + log_k 0.77 + delta_h 0 kJ + -gamma 0 0 # Id: 1009941 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Salicylate-2 = H(Salicylate)- - log_k 13.7 - delta_h -35.7732 kJ - -gamma 0 0 + log_k 13.7 + delta_h -35.7732 kJ + -gamma 0 0 # Id: 3309951 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2H+ + Salicylate-2 = H2(Salicylate) - log_k 16.8 - delta_h -38.7857 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 H+ + Salicylate-2 = H2(Salicylate) + log_k 16.8 + delta_h -38.7857 kJ + -gamma 0 0 # Id: 3309952 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Salicylate-2 = Zn(Salicylate) - log_k 7.71 - delta_h 0 kJ - -gamma 0 0 + log_k 7.71 + delta_h 0 kJ + -gamma 0 0 # Id: 9509951 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Zn+2 + Salicylate-2 + H+ = ZnH(Salicylate)+ - log_k 15.5 - delta_h 0 kJ - -gamma 0 0 + log_k 15.5 + delta_h 0 kJ + -gamma 0 0 # Id: 9509952 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Salicylate-2 = Cd(Salicylate) - log_k 6.2 - delta_h 0 kJ - -gamma 0 0 + log_k 6.2 + delta_h 0 kJ + -gamma 0 0 # Id: 1609951 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Salicylate-2 + H+ = CdH(Salicylate)+ - log_k 16 - delta_h 0 kJ - -gamma 0 0 + log_k 16 + delta_h 0 kJ + -gamma 0 0 # Id: 1609952 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Salicylate-2 = Cu(Salicylate) - log_k 11.3 - delta_h -17.9912 kJ - -gamma 0 0 + log_k 11.3 + delta_h -17.9912 kJ + -gamma 0 0 # Id: 2319951 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Salicylate-2 = Cu(Salicylate)2-2 - log_k 19.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Salicylate-2 = Cu(Salicylate)2-2 + log_k 19.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2319952 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Salicylate-2 + H+ = CuH(Salicylate)+ - log_k 14.8 - delta_h 0 kJ - -gamma 0 0 + log_k 14.8 + delta_h 0 kJ + -gamma 0 0 # Id: 2319953 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Salicylate-2 = Ni(Salicylate) - log_k 8.2 - delta_h 0 kJ - -gamma 0 0 + log_k 8.2 + delta_h 0 kJ + -gamma 0 0 # Id: 5409951 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 2Salicylate-2 = Ni(Salicylate)2-2 - log_k 12.64 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 2 Salicylate-2 = Ni(Salicylate)2-2 + log_k 12.64 + delta_h 0 kJ + -gamma 0 0 # Id: 5409952 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Co+2 + Salicylate-2 = Co(Salicylate) - log_k 7.4289 - delta_h 0 kJ - -gamma 0 0 + log_k 7.4289 + delta_h 0 kJ + -gamma 0 0 # Id: 2009951 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 20.0 -Co+2 + 2Salicylate-2 = Co(Salicylate)2-2 - log_k 11.8 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 Salicylate-2 = Co(Salicylate)2-2 + log_k 11.8 + delta_h 0 kJ + -gamma 0 0 # Id: 2009952 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 20.0 Fe+2 + Salicylate-2 = Fe(Salicylate) - log_k 7.2 - delta_h 0 kJ - -gamma 0 0 + log_k 7.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2809951 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Fe+2 + 2Salicylate-2 = Fe(Salicylate)2-2 - log_k 11.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Fe+2 + 2 Salicylate-2 = Fe(Salicylate)2-2 + log_k 11.6 + delta_h 0 kJ + -gamma 0 0 # Id: 2809952 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Fe+3 + Salicylate-2 = Fe(Salicylate)+ - log_k 17.6 - delta_h 0 kJ - -gamma 0 0 + log_k 17.6 + delta_h 0 kJ + -gamma 0 0 # Id: 2819951 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Fe+3 + 2Salicylate-2 = Fe(Salicylate)2- - log_k 29.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Fe+3 + 2 Salicylate-2 = Fe(Salicylate)2- + log_k 29.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2819952 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mn+2 + Salicylate-2 = Mn(Salicylate) - log_k 6.5 - delta_h 0 kJ - -gamma 0 0 + log_k 6.5 + delta_h 0 kJ + -gamma 0 0 # Id: 4709951 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Mn+2 + 2Salicylate-2 = Mn(Salicylate)2-2 - log_k 10.1 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Mn+2 + 2 Salicylate-2 = Mn(Salicylate)2-2 + log_k 10.1 + delta_h 0 kJ + -gamma 0 0 # Id: 4709952 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Be+2 + Salicylate-2 = Be(Salicylate) - log_k 13.3889 - delta_h -31.7732 kJ - -gamma 0 0 + log_k 13.3889 + delta_h -31.7732 kJ + -gamma 0 0 # Id: 1109951 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.10 25.0 -Be+2 + 2Salicylate-2 = Be(Salicylate)2-2 - log_k 23.25 - delta_h 0 kJ - -gamma 0 0 +Be+2 + 2 Salicylate-2 = Be(Salicylate)2-2 + log_k 23.25 + delta_h 0 kJ + -gamma 0 0 # Id: 1109952 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Mg+2 + Salicylate-2 = Mg(Salicylate) - log_k 5.76 - delta_h 0 kJ - -gamma 0 0 + log_k 5.76 + delta_h 0 kJ + -gamma 0 0 # Id: 4609951 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Mg+2 + Salicylate-2 + H+ = MgH(Salicylate)+ - log_k 15.3 - delta_h 0 kJ - -gamma 0 0 + log_k 15.3 + delta_h 0 kJ + -gamma 0 0 # Id: 4609952 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Ca+2 + Salicylate-2 = Ca(Salicylate) - log_k 4.05 - delta_h 0 kJ - -gamma 0 0 + log_k 4.05 + delta_h 0 kJ + -gamma 0 0 # Id: 1509951 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Salicylate-2 + H+ = CaH(Salicylate)+ - log_k 14.3 - delta_h 0 kJ - -gamma 0 0 + log_k 14.3 + delta_h 0 kJ + -gamma 0 0 # Id: 1509952 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ba+2 + Salicylate-2 + H+ = BaH(Salicylate)+ - log_k 13.9 - delta_h 0 kJ - -gamma 0 0 + log_k 13.9 + delta_h 0 kJ + -gamma 0 0 # Id: 1009951 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: H+ + Glutamate-2 = H(Glutamate)- - log_k 9.96 - delta_h -41.0032 kJ - -gamma 0 0 + log_k 9.96 + delta_h -41.0032 kJ + -gamma 0 0 # Id: 3309961 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2H+ + Glutamate-2 = H2(Glutamate) - log_k 14.26 - delta_h -43.5136 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 H+ + Glutamate-2 = H2(Glutamate) + log_k 14.26 + delta_h -43.5136 kJ + -gamma 0 0 # Id: 3309962 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -3H+ + Glutamate-2 = H3(Glutamate)+ - log_k 16.42 - delta_h -46.8608 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +3 H+ + Glutamate-2 = H3(Glutamate)+ + log_k 16.42 + delta_h -46.8608 kJ + -gamma 0 0 # Id: 3309963 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Glutamate-2 = Pb(Glutamate) - log_k 6.43 - delta_h 0 kJ - -gamma 0 0 + log_k 6.43 + delta_h 0 kJ + -gamma 0 0 # Id: 6009961 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Pb+2 + 2Glutamate-2 = Pb(Glutamate)2-2 - log_k 8.61 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Pb+2 + 2 Glutamate-2 = Pb(Glutamate)2-2 + log_k 8.61 + delta_h 0 kJ + -gamma 0 0 # Id: 6009962 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Pb+2 + Glutamate-2 + H+ = PbH(Glutamate)+ - log_k 14.08 - delta_h 0 kJ - -gamma 0 0 + log_k 14.08 + delta_h 0 kJ + -gamma 0 0 # Id: 6009963 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Al+3 + Glutamate-2 + H+ = AlH(Glutamate)+2 - log_k 13.07 - delta_h 0 kJ - -gamma 0 0 + log_k 13.07 + delta_h 0 kJ + -gamma 0 0 # Id: 309961 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Glutamate-2 = Zn(Glutamate) - log_k 6.2 - delta_h 0 kJ - -gamma 0 0 + log_k 6.2 + delta_h 0 kJ + -gamma 0 0 # Id: 9509961 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 2Glutamate-2 = Zn(Glutamate)2-2 - log_k 9.13 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 2 Glutamate-2 = Zn(Glutamate)2-2 + log_k 9.13 + delta_h 0 kJ + -gamma 0 0 # Id: 9509962 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Zn+2 + 3Glutamate-2 = Zn(Glutamate)3-4 - log_k 9.8 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Zn+2 + 3 Glutamate-2 = Zn(Glutamate)3-4 + log_k 9.8 + delta_h 0 kJ + -gamma 0 0 # Id: 9509963 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Cd+2 + Glutamate-2 = Cd(Glutamate) - log_k 4.7 - delta_h 0 kJ - -gamma 0 0 + log_k 4.7 + delta_h 0 kJ + -gamma 0 0 # Id: 1609961 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 2Glutamate-2 = Cd(Glutamate)2-2 - log_k 7.59 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 2 Glutamate-2 = Cd(Glutamate)2-2 + log_k 7.59 + delta_h 0 kJ + -gamma 0 0 # Id: 1609962 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Hg(OH)2 + Glutamate-2 + 2H+ = Hg(Glutamate) + 2H2O - log_k 19.8 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Hg(OH)2 + Glutamate-2 + 2 H+ = Hg(Glutamate) + 2 H2O + log_k 19.8 + delta_h 0 kJ + -gamma 0 0 # Id: 3619961 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Hg(OH)2 + 2Glutamate-2 + 2H+ = Hg(Glutamate)2-2 + 2H2O - log_k 26.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Hg(OH)2 + 2 Glutamate-2 + 2 H+ = Hg(Glutamate)2-2 + 2 H2O + log_k 26.2 + delta_h 0 kJ + -gamma 0 0 # Id: 3619962 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Cu+2 + Glutamate-2 = Cu(Glutamate) - log_k 9.17 - delta_h -20.92 kJ - -gamma 0 0 + log_k 9.17 + delta_h -20.92 kJ + -gamma 0 0 # Id: 2319961 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Glutamate-2 = Cu(Glutamate)2-2 - log_k 15.78 - delta_h -48.116 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Glutamate-2 = Cu(Glutamate)2-2 + log_k 15.78 + delta_h -48.116 kJ + -gamma 0 0 # Id: 2319962 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Glutamate-2 + H+ = CuH(Glutamate)+ - log_k 13.3 - delta_h -28.0328 kJ - -gamma 0 0 + log_k 13.3 + delta_h -28.0328 kJ + -gamma 0 0 # Id: 2319963 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ag+ + Glutamate-2 = Ag(Glutamate)- - log_k 4.22 - delta_h 0 kJ - -gamma 0 0 + log_k 4.22 + delta_h 0 kJ + -gamma 0 0 # Id: 209961 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ag+ + 2Glutamate-2 = Ag(Glutamate)2-3 - log_k 7.36 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ag+ + 2 Glutamate-2 = Ag(Glutamate)2-3 + log_k 7.36 + delta_h 0 kJ + -gamma 0 0 # Id: 209962 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -2Ag+ + Glutamate-2 = Ag2(Glutamate) - log_k 3.4 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +2 Ag+ + Glutamate-2 = Ag2(Glutamate) + log_k 3.4 + delta_h 0 kJ + -gamma 0 0 # Id: 209963 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Glutamate-2 = Ni(Glutamate) - log_k 6.47 - delta_h 0 kJ - -gamma 0 0 + log_k 6.47 + delta_h 0 kJ + -gamma 0 0 # Id: 5409961 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Ni+2 + 2Glutamate-2 = Ni(Glutamate)2-2 - log_k 10.7 - delta_h -30.9616 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Ni+2 + 2 Glutamate-2 = Ni(Glutamate)2-2 + log_k 10.7 + delta_h -30.9616 kJ + -gamma 0 0 # Id: 5409962 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Glutamate-2 = Co(Glutamate) - log_k 5.4178 - delta_h 0 kJ - -gamma 0 0 + log_k 5.4178 + delta_h 0 kJ + -gamma 0 0 # Id: 2009961 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 -Co+2 + 2Glutamate-2 = Co(Glutamate)2-2 - log_k 8.7178 - delta_h 0 kJ - -gamma 0 0 +Co+2 + 2 Glutamate-2 = Co(Glutamate)2-2 + log_k 8.7178 + delta_h 0 kJ + -gamma 0 0 # Id: 2009962 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Mn+2 + Glutamate-2 = Mn(Glutamate) - log_k 4.95 - delta_h 0 kJ - -gamma 0 0 + log_k 4.95 + delta_h 0 kJ + -gamma 0 0 # Id: 4709961 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Mn+2 + 2Glutamate-2 = Mn(Glutamate)2-2 - log_k 8.48 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Mn+2 + 2 Glutamate-2 = Mn(Glutamate)2-2 + log_k 8.48 + delta_h 0 kJ + -gamma 0 0 # Id: 4709962 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cr(OH)2+ + Glutamate-2 + 2H+ = Cr(Glutamate)+ + 2H2O - log_k 22.6 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cr(OH)2+ + Glutamate-2 + 2 H+ = Cr(Glutamate)+ + 2 H2O + log_k 22.6 + delta_h 0 kJ + -gamma 0 0 # Id: 2119961 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cr(OH)2+ + 2Glutamate-2 + 2H+ = Cr(Glutamate)2- + 2H2O - log_k 30.7 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cr(OH)2+ + 2 Glutamate-2 + 2 H+ = Cr(Glutamate)2- + 2 H2O + log_k 30.7 + delta_h 0 kJ + -gamma 0 0 # Id: 2119962 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cr(OH)2+ + Glutamate-2 + 3H+ = CrH(Glutamate)+2 + 2H2O - log_k 25.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cr(OH)2+ + Glutamate-2 + 3 H+ = CrH(Glutamate)+2 + 2 H2O + log_k 25.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2119963 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Mg+2 + Glutamate-2 = Mg(Glutamate) - log_k 2.8 - delta_h 0 kJ - -gamma 0 0 + log_k 2.8 + delta_h 0 kJ + -gamma 0 0 # Id: 4609961 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Glutamate-2 = Ca(Glutamate) - log_k 2.06 - delta_h 0 kJ - -gamma 0 0 + log_k 2.06 + delta_h 0 kJ + -gamma 0 0 # Id: 1509961 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Glutamate-2 + H+ = CaH(Glutamate)+ - log_k 11.13 - delta_h 0 kJ - -gamma 0 0 + log_k 11.13 + delta_h 0 kJ + -gamma 0 0 # Id: 1509962 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Sr+2 + Glutamate-2 = Sr(Glutamate) - log_k 2.2278 - delta_h 0 kJ - -gamma 0 0 + log_k 2.2278 + delta_h 0 kJ + -gamma 0 0 # Id: 8009961 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Ba+2 + Glutamate-2 = Ba(Glutamate) - log_k 2.14 - delta_h 0 kJ - -gamma 0 0 + log_k 2.14 + delta_h 0 kJ + -gamma 0 0 # Id: 1009961 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: H+ + Phthalate-2 = H(Phthalate)- - log_k 5.408 - delta_h 2.1757 kJ - -gamma 0 0 + log_k 5.408 + delta_h 2.1757 kJ + -gamma 0 0 # Id: 3309971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -2H+ + Phthalate-2 = H2(Phthalate) - log_k 8.358 - delta_h 4.8534 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +2 H+ + Phthalate-2 = H2(Phthalate) + log_k 8.358 + delta_h 4.8534 kJ + -gamma 0 0 # Id: 3309972 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Phthalate-2 = Pb(Phthalate) - log_k 4.26 - delta_h 0 kJ - -gamma 0 0 + log_k 4.26 + delta_h 0 kJ + -gamma 0 0 # Id: 6009971 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Pb+2 + 2Phthalate-2 = Pb(Phthalate)2-2 - log_k 4.83 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Pb+2 + 2 Phthalate-2 = Pb(Phthalate)2-2 + log_k 4.83 + delta_h 0 kJ + -gamma 0 0 # Id: 6009972 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Pb+2 + Phthalate-2 + H+ = PbH(Phthalate)+ - log_k 6.98 - delta_h 0 kJ - -gamma 0 0 + log_k 6.98 + delta_h 0 kJ + -gamma 0 0 # Id: 6009973 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Al+3 + Phthalate-2 = Al(Phthalate)+ - log_k 4.56 - delta_h 0 kJ - -gamma 0 0 + log_k 4.56 + delta_h 0 kJ + -gamma 0 0 # Id: 309971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Al+3 + 2Phthalate-2 = Al(Phthalate)2- - log_k 7.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Al+3 + 2 Phthalate-2 = Al(Phthalate)2- + log_k 7.2 + delta_h 0 kJ + -gamma 0 0 # Id: 309972 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Zn+2 + Phthalate-2 = Zn(Phthalate) - log_k 2.91 - delta_h 13.3888 kJ - -gamma 0 0 + log_k 2.91 + delta_h 13.3888 kJ + -gamma 0 0 # Id: 9509971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Zn+2 + 2Phthalate-2 = Zn(Phthalate)2-2 - log_k 4.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Zn+2 + 2 Phthalate-2 = Zn(Phthalate)2-2 + log_k 4.2 + delta_h 0 kJ + -gamma 0 0 # Id: 9509972 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Phthalate-2 = Cd(Phthalate) - log_k 3.43 - delta_h 0 kJ - -gamma 0 0 + log_k 3.43 + delta_h 0 kJ + -gamma 0 0 # Id: 1609971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cd+2 + Phthalate-2 + H+ = CdH(Phthalate)+ - log_k 6.3 - delta_h 0 kJ - -gamma 0 0 + log_k 6.3 + delta_h 0 kJ + -gamma 0 0 # Id: 1609973 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cd+2 + 2Phthalate-2 = Cd(Phthalate)2-2 - log_k 3.7 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cd+2 + 2 Phthalate-2 = Cd(Phthalate)2-2 + log_k 3.7 + delta_h 0 kJ + -gamma 0 0 # Id: 1609972 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Phthalate-2 = Cu(Phthalate) - log_k 4.02 - delta_h 8.368 kJ - -gamma 0 0 + log_k 4.02 + delta_h 8.368 kJ + -gamma 0 0 # Id: 2319971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Cu+2 + Phthalate-2 + H+ = CuH(Phthalate)+ - log_k 7.1 - delta_h 3.8493 kJ - -gamma 0 0 + log_k 7.1 + delta_h 3.8493 kJ + -gamma 0 0 # Id: 2319970 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cu+2 + 2Phthalate-2 = Cu(Phthalate)2-2 - log_k 5.3 - delta_h 15.8992 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cu+2 + 2 Phthalate-2 = Cu(Phthalate)2-2 + log_k 5.3 + delta_h 15.8992 kJ + -gamma 0 0 # Id: 2319972 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Phthalate-2 = Ni(Phthalate) - log_k 2.95 - delta_h 7.5312 kJ - -gamma 0 0 + log_k 2.95 + delta_h 7.5312 kJ + -gamma 0 0 # Id: 5409971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ni+2 + Phthalate-2 + H+ = NiH(Phthalate)+ - log_k 6.6 - delta_h 0 kJ - -gamma 0 0 + log_k 6.6 + delta_h 0 kJ + -gamma 0 0 # Id: 5409972 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Co+2 + Phthalate-2 = Co(Phthalate) - log_k 2.83 - delta_h 7.9 kJ - -gamma 0 0 + log_k 2.83 + delta_h 7.9 kJ + -gamma 0 0 # Id: 2009971 - # log K source: NIST46.4 - # Delta H source: NIST46.4 + # log K source: NIST46.4 + # Delta H source: NIST46.4 #T and ionic strength: 0.00 25.0 Co+2 + H+ + Phthalate-2 = CoH(Phthalate)+ - log_k 7.227 - delta_h 0 kJ - -gamma 0 0 + log_k 7.227 + delta_h 0 kJ + -gamma 0 0 # Id: 2009972 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.50 25.0 Mn+2 + Phthalate-2 = Mn(Phthalate) - log_k 2.74 - delta_h 10.0416 kJ - -gamma 0 0 + log_k 2.74 + delta_h 10.0416 kJ + -gamma 0 0 # Id: 4709971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: -Cr(OH)2+ + Phthalate-2 + 2H+ = Cr(Phthalate)+ + 2H2O - log_k 16.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: +Cr(OH)2+ + Phthalate-2 + 2 H+ = Cr(Phthalate)+ + 2 H2O + log_k 16.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2119971 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cr(OH)2+ + 2Phthalate-2 + 2H+ = Cr(Phthalate)2- + 2H2O - log_k 21.2 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cr(OH)2+ + 2 Phthalate-2 + 2 H+ = Cr(Phthalate)2- + 2 H2O + log_k 21.2 + delta_h 0 kJ + -gamma 0 0 # Id: 2119972 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: -Cr(OH)2+ + 3Phthalate-2 + 2H+ = Cr(Phthalate)3-3 + 2H2O - log_k 23.3 - delta_h 0 kJ - -gamma 0 0 + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: +Cr(OH)2+ + 3 Phthalate-2 + 2 H+ = Cr(Phthalate)3-3 + 2 H2O + log_k 23.3 + delta_h 0 kJ + -gamma 0 0 # Id: 2119973 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Be+2 + Phthalate-2 = Be(Phthalate) - log_k 4.8278 - delta_h 0 kJ - -gamma 0 0 + log_k 4.8278 + delta_h 0 kJ + -gamma 0 0 # Id: 1109971 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 -Be+2 + 2Phthalate-2 = Be(Phthalate)2-2 - log_k 6.5478 - delta_h 0 kJ - -gamma 0 0 +Be+2 + 2 Phthalate-2 = Be(Phthalate)2-2 + log_k 6.5478 + delta_h 0 kJ + -gamma 0 0 # Id: 1109972 - # log K source: NIST46.4 - # Delta H source: NIST46.2 + # log K source: NIST46.4 + # Delta H source: NIST46.2 #T and ionic strength: 0.10 25.0 Mg+2 + Phthalate-2 = Mg(Phthalate) - log_k 2.49 - delta_h 0 kJ - -gamma 0 0 + log_k 2.49 + delta_h 0 kJ + -gamma 0 0 # Id: 4609971 - # log K source: SCD2.62 - # Delta H source: SCD2.62 - #T and ionic strength: + # log K source: SCD2.62 + # Delta H source: SCD2.62 + #T and ionic strength: Ca+2 + Phthalate-2 = Ca(Phthalate) - log_k 2.45 - delta_h 0 kJ - -gamma 0 0 + log_k 2.45 + delta_h 0 kJ + -gamma 0 0 # Id: 1509970 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ca+2 + Phthalate-2 + H+ = CaH(Phthalate)+ - log_k 6.43 - delta_h 0 kJ - -gamma 0 0 + log_k 6.43 + delta_h 0 kJ + -gamma 0 0 # Id: 1509971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Ba+2 + Phthalate-2 = Ba(Phthalate) - log_k 2.33 - delta_h 0 kJ - -gamma 0 0 + log_k 2.33 + delta_h 0 kJ + -gamma 0 0 # Id: 1009971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: Na+ + Phthalate-2 = Na(Phthalate)- - log_k 0.8 - delta_h 4.184 kJ - -gamma 0 0 + log_k 0.8 + delta_h 4.184 kJ + -gamma 0 0 # Id: 5009970 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: K+ + Phthalate-2 = K(Phthalate)- - log_k 0.7 - delta_h 3.7656 kJ - -gamma 0 0 + log_k 0.7 + delta_h 3.7656 kJ + -gamma 0 0 # Id: 4109971 - # log K source: NIST46.2 - # Delta H source: NIST46.2 - #T and ionic strength: + # log K source: NIST46.2 + # Delta H source: NIST46.2 + #T and ionic strength: PHASES Sulfur - S + H+ + 2e- = HS- - log_k -2.1449 - delta_h -16.3 kJ + S + H+ + 2 e- = HS- + log_k -2.1449 + delta_h -16.3 kJ Semetal(hex - Se + H+ + 2e- = HSe- - log_k -7.7084 - delta_h 15.9 kJ + Se + H+ + 2 e- = HSe- + log_k -7.7084 + delta_h 15.9 kJ Semetal(am) - Se + H+ + 2e- = HSe- - log_k -7.1099 - delta_h 10.8784 kJ + Se + H+ + 2 e- = HSe- + log_k -7.1099 + delta_h 10.8784 kJ Sbmetal - Sb + 3H2O = Sb(OH)3 + 3H+ + 3e- - log_k -11.6889 - delta_h 83.89 kJ + Sb + 3 H2O = Sb(OH)3 + 3 H+ + 3 e- + log_k -11.6889 + delta_h 83.89 kJ Snmetal(wht) - Sn + 2H2O = Sn(OH)2 + 2H+ + 2e- - log_k -2.3266 - delta_h -0 kJ + Sn + 2 H2O = Sn(OH)2 + 2 H+ + 2 e- + log_k -2.3266 + delta_h -0 kJ Pbmetal - Pb = Pb+2 + 2e- - log_k 4.2462 - delta_h 0.92 kJ + Pb = Pb+2 + 2 e- + log_k 4.2462 + delta_h 0.92 kJ Tlmetal Tl = Tl+ + e- - log_k 5.6762 - delta_h 5.36 kJ + log_k 5.6762 + delta_h 5.36 kJ Znmetal - Zn = Zn+2 + 2e- - log_k 25.7886 - delta_h -153.39 kJ + Zn = Zn+2 + 2 e- + log_k 25.7886 + delta_h -153.39 kJ Cdmetal(alpha) - Cd = Cd+2 + 2e- - log_k 13.5147 - delta_h -75.33 kJ + Cd = Cd+2 + 2 e- + log_k 13.5147 + delta_h -75.33 kJ Cdmetal(gamma) - Cd = Cd+2 + 2e- - log_k 13.618 - delta_h -75.92 kJ + Cd = Cd+2 + 2 e- + log_k 13.618 + delta_h -75.92 kJ Hgmetal(l) - Hg = 0.5Hg2+2 + e- - log_k -13.4517 - delta_h 83.435 kJ + Hg = 0.5 Hg2+2 + e- + log_k -13.4517 + delta_h 83.435 kJ Cumetal Cu = Cu+ + e- - log_k -8.756 - delta_h 71.67 kJ + log_k -8.756 + delta_h 71.67 kJ Agmetal Ag = Ag+ + e- - log_k -13.5065 - delta_h 105.79 kJ + log_k -13.5065 + delta_h 105.79 kJ Crmetal - Cr = Cr+2 + 2e- - log_k 30.4831 - delta_h -172 kJ + Cr = Cr+2 + 2 e- + log_k 30.4831 + delta_h -172 kJ Vmetal - V = V+3 + 3e- - log_k 44.0253 - delta_h -259 kJ + V = V+3 + 3 e- + log_k 44.0253 + delta_h -259 kJ Stibnite - Sb2S3 + 6H2O = 2Sb(OH)3 + 3H+ + 3HS- - log_k -50.46 - delta_h 293.78 kJ + Sb2S3 + 6 H2O = 2 Sb(OH)3 + 3 H+ + 3 HS- + log_k -50.46 + delta_h 293.78 kJ Orpiment - As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+ - log_k -61.0663 - delta_h 350.68 kJ + As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+ + log_k -61.0663 + delta_h 350.68 kJ Realgar - AsS + 3H2O = H3AsO3 + HS- + 2H+ + e- - log_k -19.747 - delta_h 127.8 kJ + AsS + 3 H2O = H3AsO3 + HS- + 2 H+ + e- + log_k -19.747 + delta_h 127.8 kJ SnS - SnS + 2H2O = Sn(OH)2 + H+ + HS- - log_k -19.114 - delta_h -0 kJ + SnS + 2 H2O = Sn(OH)2 + H+ + HS- + log_k -19.114 + delta_h -0 kJ SnS2 - SnS2 + 6H2O = Sn(OH)6-2 + 4H+ + 2HS- - log_k -57.4538 - delta_h -0 kJ + SnS2 + 6 H2O = Sn(OH)6-2 + 4 H+ + 2 HS- + log_k -57.4538 + delta_h -0 kJ Galena PbS + H+ = Pb+2 + HS- - log_k -13.97 - delta_h 80 kJ + log_k -13.97 + delta_h 80 kJ Tl2S - Tl2S + H+ = 2Tl+ + HS- - log_k -7.19 - delta_h 91.52 kJ + Tl2S + H+ = 2 Tl+ + HS- + log_k -7.19 + delta_h 91.52 kJ ZnS(am) ZnS + H+ = Zn+2 + HS- - log_k -9.052 - delta_h 15.3553 kJ + log_k -9.052 + delta_h 15.3553 kJ Sphalerite ZnS + H+ = Zn+2 + HS- - log_k -11.45 - delta_h 30 kJ + log_k -11.45 + delta_h 30 kJ Wurtzite ZnS + H+ = Zn+2 + HS- - log_k -8.95 - delta_h 21.171 kJ + log_k -8.95 + delta_h 21.171 kJ Greenockite CdS + H+ = Cd+2 + HS- - log_k -14.36 - delta_h 55 kJ + log_k -14.36 + delta_h 55 kJ Hg2S Hg2S + H+ = Hg2+2 + HS- - log_k -11.6765 - delta_h 69.7473 kJ + log_k -11.6765 + delta_h 69.7473 kJ Cinnabar - HgS + 2H2O = Hg(OH)2 + H+ + HS- - log_k -45.694 - delta_h 253.76 kJ + HgS + 2 H2O = Hg(OH)2 + H+ + HS- + log_k -45.694 + delta_h 253.76 kJ Metacinnabar - HgS + 2H2O = Hg(OH)2 + H+ + HS- - log_k -45.094 - delta_h 253.72 kJ + HgS + 2 H2O = Hg(OH)2 + H+ + HS- + log_k -45.094 + delta_h 253.72 kJ Chalcocite - Cu2S + H+ = 2Cu+ + HS- - log_k -34.92 - delta_h 168 kJ + Cu2S + H+ = 2 Cu+ + HS- + log_k -34.92 + delta_h 168 kJ Djurleite - Cu0.066Cu1.868S + H+ = 0.066Cu+2 + 1.868Cu+ + HS- - log_k -33.92 - delta_h 200.334 kJ + Cu0.066Cu1.868S + H+ = 0.066 Cu+2 + 1.868 Cu+ + HS- + log_k -33.92 + delta_h 200.334 kJ Anilite - Cu0.25Cu1.5S + H+ = 0.25Cu+2 + 1.5Cu+ + HS- - log_k -31.878 - delta_h 182.15 kJ + Cu0.25Cu1.5S + H+ = 0.25 Cu+2 + 1.5 Cu+ + HS- + log_k -31.878 + delta_h 182.15 kJ BlaubleiII - Cu0.6Cu0.8S + H+ = 0.6Cu+2 + 0.8Cu+ + HS- - log_k -27.279 - delta_h -0 kJ + Cu0.6Cu0.8S + H+ = 0.6 Cu+2 + 0.8 Cu+ + HS- + log_k -27.279 + delta_h -0 kJ BlaubleiI - Cu0.9Cu0.2S + H+ = 0.9Cu+2 + 0.2Cu+ + HS- - log_k -24.162 - delta_h -0 kJ + Cu0.9Cu0.2S + H+ = 0.9 Cu+2 + 0.2 Cu+ + HS- + log_k -24.162 + delta_h -0 kJ Covellite CuS + H+ = Cu+2 + HS- - log_k -22.3 - delta_h 97 kJ + log_k -22.3 + delta_h 97 kJ Chalcopyrite - CuFeS2 + 2H+ = Cu+2 + Fe+2 + 2HS- - log_k -35.27 - delta_h 148.448 kJ + CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS- + log_k -35.27 + delta_h 148.448 kJ Acanthite - Ag2S + H+ = 2Ag+ + HS- - log_k -36.22 - delta_h 227 kJ + Ag2S + H+ = 2 Ag+ + HS- + log_k -36.22 + delta_h 227 kJ NiS(alpha) NiS + H+ = Ni+2 + HS- - log_k -5.6 - delta_h -0 kJ + log_k -5.6 + delta_h -0 kJ NiS(beta) NiS + H+ = Ni+2 + HS- - log_k -11.1 - delta_h -0 kJ + log_k -11.1 + delta_h -0 kJ NiS(gamma) NiS + H+ = Ni+2 + HS- - log_k -12.8 - delta_h -0 kJ + log_k -12.8 + delta_h -0 kJ CoS(alpha) CoS + H+ = Co+2 + HS- - log_k -7.44 - delta_h -0 kJ + log_k -7.44 + delta_h -0 kJ CoS(beta) CoS + H+ = Co+2 + HS- - log_k -11.07 - delta_h -0 kJ + log_k -11.07 + delta_h -0 kJ FeS(ppt) FeS + H+ = Fe+2 + HS- - log_k -2.95 - delta_h -11 kJ + log_k -2.95 + delta_h -11 kJ Greigite - Fe3S4 + 4H+ = 2Fe+3 + Fe+2 + 4HS- - log_k -45.035 - delta_h -0 kJ + Fe3S4 + 4 H+ = 2 Fe+3 + Fe+2 + 4 HS- + log_k -45.035 + delta_h -0 kJ Mackinawite FeS + H+ = Fe+2 + HS- - log_k -3.6 - delta_h -0 kJ + log_k -3.6 + delta_h -0 kJ Pyrite - FeS2 + 2H+ + 2e- = Fe+2 + 2HS- - log_k -18.5082 - delta_h 49.844 kJ + FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS- + log_k -18.5082 + delta_h 49.844 kJ MnS(grn) MnS + H+ = Mn+2 + HS- - log_k 0.17 - delta_h -32 kJ + log_k 0.17 + delta_h -32 kJ MnS(pnk) MnS + H+ = Mn+2 + HS- - log_k 3.34 - delta_h -0 kJ + log_k 3.34 + delta_h -0 kJ MoS2 - MoS2 + 4H2O = MoO4-2 + 6H+ + 2HS- + 2e- - log_k -70.2596 - delta_h 389.02 kJ + MoS2 + 4 H2O = MoO4-2 + 6 H+ + 2 HS- + 2 e- + log_k -70.2596 + delta_h 389.02 kJ BeS BeS + H+ = Be+2 + HS- - log_k 19.38 - delta_h -0 kJ + log_k 19.38 + delta_h -0 kJ BaS BaS + H+ = Ba+2 + HS- - log_k 16.18 - delta_h -0 kJ + log_k 16.18 + delta_h -0 kJ Hg2(Cyanide)2 - Hg2(Cyanide)2 = Hg2+2 + 2Cyanide- - log_k -39.3 - delta_h -0 kJ + Hg2(Cyanide)2 = Hg2+2 + 2 Cyanide- + log_k -39.3 + delta_h -0 kJ CuCyanide CuCyanide = Cu+ + Cyanide- - log_k -19.5 - delta_h -19 kJ + log_k -19.5 + delta_h -19 kJ AgCyanide AgCyanide = Ag+ + Cyanide- - log_k -15.74 - delta_h 110.395 kJ + log_k -15.74 + delta_h 110.395 kJ Ag2(Cyanide)2 - Ag2(Cyanide)2 = 2Ag+ + 2Cyanide- - log_k -11.3289 - delta_h -0 kJ + Ag2(Cyanide)2 = 2 Ag+ + 2 Cyanide- + log_k -11.3289 + delta_h -0 kJ NaCyanide(cubic) NaCyanide = Cyanide- + Na+ - log_k 1.6012 - delta_h 0.969 kJ + log_k 1.6012 + delta_h 0.969 kJ KCyanide(cubic) KCyanide = Cyanide- + K+ - log_k 1.4188 - delta_h 11.93 kJ + log_k 1.4188 + delta_h 11.93 kJ Pb2Fe(Cyanide)6 - Pb2Fe(Cyanide)6 = 2Pb+2 + Fe+2 + 6Cyanide- - log_k -53.42 - delta_h -0 kJ + Pb2Fe(Cyanide)6 = 2 Pb+2 + Fe+2 + 6 Cyanide- + log_k -53.42 + delta_h -0 kJ Zn2Fe(Cyanide)6 - Zn2Fe(Cyanide)6 = 2Zn+2 + Fe+2 + 6Cyanide- - log_k -51.08 - delta_h -0 kJ + Zn2Fe(Cyanide)6 = 2 Zn+2 + Fe+2 + 6 Cyanide- + log_k -51.08 + delta_h -0 kJ Cd2Fe(Cyanide)6 - Cd2Fe(Cyanide)6 = 2Cd+2 + Fe+2 + 6Cyanide- - log_k -52.78 - delta_h -0 kJ + Cd2Fe(Cyanide)6 = 2 Cd+2 + Fe+2 + 6 Cyanide- + log_k -52.78 + delta_h -0 kJ Ag4Fe(Cyanide)6 - Ag4Fe(Cyanide)6 = 4Ag+ + Fe+2 + 6Cyanide- - log_k -79.47 - delta_h -0 kJ + Ag4Fe(Cyanide)6 = 4 Ag+ + Fe+2 + 6 Cyanide- + log_k -79.47 + delta_h -0 kJ Ag3Fe(Cyanide)6 - Ag3Fe(Cyanide)6 = 3Ag+ + Fe+3 + 6Cyanide- - log_k -72.7867 - delta_h -0 kJ + Ag3Fe(Cyanide)6 = 3 Ag+ + Fe+3 + 6 Cyanide- + log_k -72.7867 + delta_h -0 kJ Mn3(Fe(Cyanide)6)2 - Mn3(Fe(Cyanide)6)2 = 3Mn+2 + 2Fe+3 + 12Cyanide- - log_k -105.4 - delta_h -0 kJ + Mn3(Fe(Cyanide)6)2 = 3 Mn+2 + 2 Fe+3 + 12 Cyanide- + log_k -105.4 + delta_h -0 kJ Sb2Se3 - Sb2Se3 + 6H2O = 2Sb(OH)3 + 3HSe- + 3H+ - log_k -67.7571 - delta_h 343.046 kJ + Sb2Se3 + 6 H2O = 2 Sb(OH)3 + 3 HSe- + 3 H+ + log_k -67.7571 + delta_h 343.046 kJ SnSe - SnSe + 2H2O = Sn(OH)2 + H+ + HSe- - log_k -30.494 - delta_h -0 kJ + SnSe + 2 H2O = Sn(OH)2 + H+ + HSe- + log_k -30.494 + delta_h -0 kJ SnSe2 - SnSe2 + 6H2O = Sn(OH)6-2 + 4H+ + 2HSe- - log_k -65.1189 - delta_h -0 kJ + SnSe2 + 6 H2O = Sn(OH)6-2 + 4 H+ + 2 HSe- + log_k -65.1189 + delta_h -0 kJ Clausthalite PbSe + H+ = Pb+2 + HSe- - log_k -27.1 - delta_h 119.72 kJ + log_k -27.1 + delta_h 119.72 kJ Tl2Se - Tl2Se + H+ = 2Tl+ + HSe- - log_k -18.1 - delta_h 85.62 kJ + Tl2Se + H+ = 2 Tl+ + HSe- + log_k -18.1 + delta_h 85.62 kJ ZnSe ZnSe + H+ = Zn+2 + HSe- - log_k -14.4 - delta_h 25.51 kJ + log_k -14.4 + delta_h 25.51 kJ CdSe CdSe + H+ = Cd+2 + HSe- - log_k -20.2 - delta_h 75.9814 kJ + log_k -20.2 + delta_h 75.9814 kJ HgSe - HgSe + 2H2O = Hg(OH)2 + H+ + HSe- - log_k -55.694 - delta_h -0 kJ + HgSe + 2 H2O = Hg(OH)2 + H+ + HSe- + log_k -55.694 + delta_h -0 kJ Cu2Se(alpha) - Cu2Se + H+ = 2Cu+ + HSe- - log_k -45.8 - delta_h 214.263 kJ + Cu2Se + H+ = 2 Cu+ + HSe- + log_k -45.8 + delta_h 214.263 kJ Cu3Se2 - Cu3Se2 + 2H+ = 2HSe- + 2Cu+ + Cu+2 - log_k -63.4911 - delta_h 340.327 kJ + Cu3Se2 + 2 H+ = 2 HSe- + 2 Cu+ + Cu+2 + log_k -63.4911 + delta_h 340.327 kJ CuSe CuSe + H+ = Cu+2 + HSe- - log_k -33.1 - delta_h 121.127 kJ + log_k -33.1 + delta_h 121.127 kJ CuSe2 - CuSe2 + 2H+ + 2e- = 2HSe- + Cu+2 - log_k -33.3655 - delta_h 140.582 kJ + CuSe2 + 2 H+ + 2 e- = 2 HSe- + Cu+2 + log_k -33.3655 + delta_h 140.582 kJ Ag2Se - Ag2Se + H+ = 2Ag+ + HSe- - log_k -48.7 - delta_h 265.48 kJ + Ag2Se + H+ = 2 Ag+ + HSe- + log_k -48.7 + delta_h 265.48 kJ NiSe NiSe + H+ = Ni+2 + HSe- - log_k -17.7 - delta_h -0 kJ + log_k -17.7 + delta_h -0 kJ CoSe CoSe + H+ = Co+2 + HSe- - log_k -16.2 - delta_h -0 kJ + log_k -16.2 + delta_h -0 kJ FeSe FeSe + H+ = Fe+2 + HSe- - log_k -11 - delta_h 2.092 kJ + log_k -11 + delta_h 2.092 kJ Ferroselite - FeSe2 + 2H+ + 2e- = 2HSe- + Fe+2 - log_k -18.5959 - delta_h 47.2792 kJ + FeSe2 + 2 H+ + 2 e- = 2 HSe- + Fe+2 + log_k -18.5959 + delta_h 47.2792 kJ MnSe MnSe + H+ = Mn+2 + HSe- - log_k 3.5 - delta_h -98.15 kJ + log_k 3.5 + delta_h -98.15 kJ AlSb - AlSb + 3H2O = Sb(OH)3 + 6e- + Al+3 + 3H+ - log_k 65.6241 - delta_h -0 kJ + AlSb + 3 H2O = Sb(OH)3 + 6 e- + Al+3 + 3 H+ + log_k 65.6241 + delta_h -0 kJ ZnSb - ZnSb + 3H2O = Sb(OH)3 + 5e- + Zn+2 + 3H+ - log_k 11.0138 - delta_h -54.8773 kJ + ZnSb + 3 H2O = Sb(OH)3 + 5 e- + Zn+2 + 3 H+ + log_k 11.0138 + delta_h -54.8773 kJ CdSb - CdSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Cd+2 - log_k -0.3501 - delta_h 22.36 kJ + CdSb + 3 H2O = Sb(OH)3 + 5 e- + 3 H+ + Cd+2 + log_k -0.3501 + delta_h 22.36 kJ Cu2Sb:3H2O - Cu2Sb:3H2O = Sb(OH)3 + 6e- + 3H+ + Cu+ + Cu+2 - log_k -34.8827 - delta_h 233.237 kJ + Cu2Sb:3H2O = Sb(OH)3 + 6 e- + 3 H+ + Cu+ + Cu+2 + log_k -34.8827 + delta_h 233.237 kJ Cu3Sb - Cu3Sb + 3H2O = Sb(OH)3 + 6e- + 3H+ + 3Cu+ - log_k -42.5937 - delta_h 308.131 kJ + Cu3Sb + 3 H2O = Sb(OH)3 + 6 e- + 3 H+ + 3 Cu+ + log_k -42.5937 + delta_h 308.131 kJ #Ag4Sb # Ag4Sb + 3H2O = Sb(OH)3 + 6e- + 3Ag+ + 3H+ # log_k -56.1818 # delta_h -0 kJ Breithauptite - NiSb + 3H2O = Sb(OH)3 + 5e- + 3H+ + Ni+2 - log_k -18.5225 - delta_h 96.0019 kJ + NiSb + 3 H2O = Sb(OH)3 + 5 e- + 3 H+ + Ni+2 + log_k -18.5225 + delta_h 96.0019 kJ MnSb - MnSb + 3H2O = Mn+3 + Sb(OH)3 + 6e- + 3H+ - log_k -2.9099 - delta_h 21.1083 kJ + MnSb + 3 H2O = Mn+3 + Sb(OH)3 + 6 e- + 3 H+ + log_k -2.9099 + delta_h 21.1083 kJ Mn2Sb - Mn2Sb + 3H2O = 2Mn+2 + Sb(OH)3 + 7e- + 3H+ - log_k 61.0796 - delta_h -0 kJ + Mn2Sb + 3 H2O = 2 Mn+2 + Sb(OH)3 + 7 e- + 3 H+ + log_k 61.0796 + delta_h -0 kJ USb2 - USb2 + 8H2O = UO2+2 + 2Sb(OH)3 + 12e- + 10H+ - log_k 29.5771 - delta_h -103.56 kJ + USb2 + 8 H2O = UO2+2 + 2 Sb(OH)3 + 12 e- + 10 H+ + log_k 29.5771 + delta_h -103.56 kJ U3Sb4 - U3Sb4 + 12H2O = 3U+4 + 4Sb(OH)3 + 24e- + 12H+ - log_k 152.383 - delta_h -986.04 kJ + U3Sb4 + 12 H2O = 3 U+4 + 4 Sb(OH)3 + 24 e- + 12 H+ + log_k 152.383 + delta_h -986.04 kJ Mg2Sb3 - Mg2Sb3 + 9H2O = 2Mg+2 + 3Sb(OH)3 + 9H+ + 13e- - log_k 74.6838 - delta_h -0 kJ + Mg2Sb3 + 9 H2O = 2 Mg+2 + 3 Sb(OH)3 + 9 H+ + 13 e- + log_k 74.6838 + delta_h -0 kJ Ca3Sb2 - Ca3Sb2 + 6H2O = 3Ca+2 + 2Sb(OH)3 + 6H+ + 12e- - log_k 142.974 - delta_h -732.744 kJ + Ca3Sb2 + 6 H2O = 3 Ca+2 + 2 Sb(OH)3 + 6 H+ + 12 e- + log_k 142.974 + delta_h -732.744 kJ NaSb - NaSb + 3H2O = Na+ + Sb(OH)3 + 3H+ + 4e- - log_k 23.1658 - delta_h -93.45 kJ + NaSb + 3 H2O = Na+ + Sb(OH)3 + 3 H+ + 4 e- + log_k 23.1658 + delta_h -93.45 kJ Na3Sb - Na3Sb + 3H2O = 3Na+ + Sb(OH)3 + 3H+ + 6e- - log_k 94.4517 - delta_h -432.13 kJ + Na3Sb + 3 H2O = 3 Na+ + Sb(OH)3 + 3 H+ + 6 e- + log_k 94.4517 + delta_h -432.13 kJ SeO2 SeO2 + H2O = HSeO3- + H+ - log_k 0.1246 - delta_h 1.4016 kJ + log_k 0.1246 + delta_h 1.4016 kJ SeO3 - SeO3 + H2O = SeO4-2 + 2H+ - log_k 21.044 - delta_h -146.377 kJ + SeO3 + H2O = SeO4-2 + 2 H+ + log_k 21.044 + delta_h -146.377 kJ Sb2O5 - Sb2O5 + 7H2O = 2Sb(OH)6- + 2H+ - log_k -9.6674 - delta_h -0 kJ + Sb2O5 + 7 H2O = 2 Sb(OH)6- + 2 H+ + log_k -9.6674 + delta_h -0 kJ SbO2 - SbO2 + 4H2O = Sb(OH)6- + e- + 2H+ - log_k -27.8241 - delta_h -0 kJ + SbO2 + 4 H2O = Sb(OH)6- + e- + 2 H+ + log_k -27.8241 + delta_h -0 kJ Sb2O4 - Sb2O4 + 2H2O + 2H+ + 2e- = 2Sb(OH)3 - log_k 3.4021 - delta_h -68.04 kJ + Sb2O4 + 2 H2O + 2 H+ + 2 e- = 2 Sb(OH)3 + log_k 3.4021 + delta_h -68.04 kJ Sb4O6(cubic) - Sb4O6 + 6H2O = 4Sb(OH)3 - log_k -18.2612 - delta_h 61.1801 kJ + Sb4O6 + 6 H2O = 4 Sb(OH)3 + log_k -18.2612 + delta_h 61.1801 kJ Sb4O6(orth) - Sb4O6 + 6H2O = 4Sb(OH)3 - log_k -17.9012 - delta_h 37.6801 kJ + Sb4O6 + 6 H2O = 4 Sb(OH)3 + log_k -17.9012 + delta_h 37.6801 kJ Sb(OH)3 Sb(OH)3 = Sb(OH)3 - log_k -7.1099 - delta_h 30.1248 kJ + log_k -7.1099 + delta_h 30.1248 kJ Senarmontite - Sb2O3 + 3H2O = 2Sb(OH)3 - log_k -12.3654 - delta_h 30.6478 kJ + Sb2O3 + 3 H2O = 2 Sb(OH)3 + log_k -12.3654 + delta_h 30.6478 kJ Valentinite - Sb2O3 + 3H2O = 2Sb(OH)3 - log_k -8.4806 - delta_h 19.0163 kJ + Sb2O3 + 3 H2O = 2 Sb(OH)3 + log_k -8.4806 + delta_h 19.0163 kJ Chalcedony - SiO2 + 2H2O = H4SiO4 - log_k -3.55 - delta_h 19.7 kJ + SiO2 + 2 H2O = H4SiO4 + log_k -3.55 + delta_h 19.7 kJ Cristobalite - SiO2 + 2H2O = H4SiO4 - log_k -3.35 - delta_h 20.006 kJ + SiO2 + 2 H2O = H4SiO4 + log_k -3.35 + delta_h 20.006 kJ Quartz - SiO2 + 2H2O = H4SiO4 - log_k -4 - delta_h 22.36 kJ + SiO2 + 2 H2O = H4SiO4 + log_k -4 + delta_h 22.36 kJ SiO2(am-gel) - SiO2 + 2H2O = H4SiO4 - log_k -2.71 - delta_h 14 kJ + SiO2 + 2 H2O = H4SiO4 + log_k -2.71 + delta_h 14 kJ SiO2(am-ppt) - SiO2 + 2H2O = H4SiO4 - log_k -2.74 - delta_h 15.15 kJ + SiO2 + 2 H2O = H4SiO4 + log_k -2.74 + delta_h 15.15 kJ SnO SnO + H2O = Sn(OH)2 - log_k -4.9141 - delta_h -0 kJ + log_k -4.9141 + delta_h -0 kJ SnO2 - SnO2 + 4H2O = Sn(OH)6-2 + 2H+ - log_k -28.9749 - delta_h -0 kJ + SnO2 + 4 H2O = Sn(OH)6-2 + 2 H+ + log_k -28.9749 + delta_h -0 kJ Sn(OH)2 Sn(OH)2 = Sn(OH)2 - log_k -5.4309 - delta_h -0 kJ + log_k -5.4309 + delta_h -0 kJ Sn(OH)4 - Sn(OH)4 + 2H2O = Sn(OH)6-2 + 2H+ - log_k -22.2808 - delta_h -0 kJ + Sn(OH)4 + 2 H2O = Sn(OH)6-2 + 2 H+ + log_k -22.2808 + delta_h -0 kJ H2Sn(OH)6 - H2Sn(OH)6 = Sn(OH)6-2 + 2H+ - log_k -23.5281 - delta_h -0 kJ + H2Sn(OH)6 = Sn(OH)6-2 + 2 H+ + log_k -23.5281 + delta_h -0 kJ Massicot - PbO + 2H+ = Pb+2 + H2O - log_k 12.894 - delta_h -66.848 kJ + PbO + 2 H+ = Pb+2 + H2O + log_k 12.894 + delta_h -66.848 kJ Litharge - PbO + 2H+ = Pb+2 + H2O - log_k 12.694 - delta_h -65.501 kJ + PbO + 2 H+ = Pb+2 + H2O + log_k 12.694 + delta_h -65.501 kJ PbO:0.3H2O - PbO:0.33H2O + 2H+ = Pb+2 + 1.33H2O - log_k 12.98 - delta_h -0 kJ + PbO:0.33H2O + 2 H+ = Pb+2 + 1.33 H2O + log_k 12.98 + delta_h -0 kJ Plattnerite - PbO2 + 4H+ + 2e- = Pb+2 + 2H2O - log_k 49.6001 - delta_h -296.27 kJ + PbO2 + 4 H+ + 2 e- = Pb+2 + 2 H2O + log_k 49.6001 + delta_h -296.27 kJ Pb(OH)2 - Pb(OH)2 + 2H+ = Pb+2 + 2H2O - log_k 8.15 - delta_h -58.5342 kJ + Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O + log_k 8.15 + delta_h -58.5342 kJ Pb2O(OH)2 - Pb2O(OH)2 + 4H+ = 2Pb+2 + 3H2O - log_k 26.188 - delta_h -0 kJ + Pb2O(OH)2 + 4 H+ = 2 Pb+2 + 3 H2O + log_k 26.188 + delta_h -0 kJ Al(OH)3(am) - Al(OH)3 + 3H+ = Al+3 + 3H2O - log_k 10.8 - delta_h -111 kJ + Al(OH)3 + 3 H+ = Al+3 + 3 H2O + log_k 10.8 + delta_h -111 kJ Boehmite - AlOOH + 3H+ = Al+3 + 2H2O - log_k 8.578 - delta_h -117.696 kJ + AlOOH + 3 H+ = Al+3 + 2 H2O + log_k 8.578 + delta_h -117.696 kJ Diaspore - AlOOH + 3H+ = Al+3 + 2H2O - log_k 6.873 - delta_h -103.052 kJ + AlOOH + 3 H+ = Al+3 + 2 H2O + log_k 6.873 + delta_h -103.052 kJ Gibbsite - Al(OH)3 + 3H+ = Al+3 + 3H2O - log_k 8.291 - delta_h -95.3952 kJ + Al(OH)3 + 3 H+ = Al+3 + 3 H2O + log_k 8.291 + delta_h -95.3952 kJ Tl2O - Tl2O + 2H+ = 2Tl+ + H2O - log_k 27.0915 - delta_h -96.41 kJ + Tl2O + 2 H+ = 2 Tl+ + H2O + log_k 27.0915 + delta_h -96.41 kJ TlOH TlOH + H+ = Tl+ + H2O - log_k 12.9186 - delta_h -41.57 kJ + log_k 12.9186 + delta_h -41.57 kJ Avicennite - Tl2O3 + 3H2O = 2Tl(OH)3 - log_k -13 - delta_h -0 kJ + Tl2O3 + 3 H2O = 2 Tl(OH)3 + log_k -13 + delta_h -0 kJ Tl(OH)3 Tl(OH)3 = Tl(OH)3 - log_k -5.441 - delta_h -0 kJ + log_k -5.441 + delta_h -0 kJ Zn(OH)2(am) - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 12.474 - delta_h -80.62 kJ + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 12.474 + delta_h -80.62 kJ Zn(OH)2 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 12.2 - delta_h -0 kJ + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 12.2 + delta_h -0 kJ Zn(OH)2(beta) - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.754 - delta_h -83.14 kJ + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.754 + delta_h -83.14 kJ Zn(OH)2(gamma) - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.734 - delta_h -0 kJ + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.734 + delta_h -0 kJ Zn(OH)2(epsilon) - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.534 - delta_h -81.8 kJ + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.534 + delta_h -81.8 kJ ZnO(active) - ZnO + 2H+ = Zn+2 + H2O - log_k 11.1884 - delta_h -88.76 kJ + ZnO + 2 H+ = Zn+2 + H2O + log_k 11.1884 + delta_h -88.76 kJ Zincite - ZnO + 2H+ = Zn+2 + H2O - log_k 11.334 - delta_h -89.62 kJ + ZnO + 2 H+ = Zn+2 + H2O + log_k 11.334 + delta_h -89.62 kJ Cd(OH)2(am) - Cd(OH)2 + 2H+ = Cd+2 + 2H2O - log_k 13.73 - delta_h -86.9017 kJ + Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O + log_k 13.73 + delta_h -86.9017 kJ Cd(OH)2 - Cd(OH)2 + 2H+ = Cd+2 + 2H2O - log_k 13.644 - delta_h -94.62 kJ + Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O + log_k 13.644 + delta_h -94.62 kJ Monteponite - CdO + 2H+ = Cd+2 + H2O - log_k 15.1034 - delta_h -103.4 kJ + CdO + 2 H+ = Cd+2 + H2O + log_k 15.1034 + delta_h -103.4 kJ Hg2(OH)2 - Hg2(OH)2 + 2H+ = Hg2+2 + 2H2O - log_k 5.2603 - delta_h -0 kJ + Hg2(OH)2 + 2 H+ = Hg2+2 + 2 H2O + log_k 5.2603 + delta_h -0 kJ Montroydite HgO + H2O = Hg(OH)2 - log_k -3.64 - delta_h -38.9 kJ + log_k -3.64 + delta_h -38.9 kJ Hg(OH)2 Hg(OH)2 = Hg(OH)2 - log_k -3.4963 - delta_h -0 kJ + log_k -3.4963 + delta_h -0 kJ Cuprite - Cu2O + 2H+ = 2Cu+ + H2O - log_k -1.406 - delta_h -124.02 kJ + Cu2O + 2 H+ = 2 Cu+ + H2O + log_k -1.406 + delta_h -124.02 kJ Cu(OH)2 - Cu(OH)2 + 2H+ = Cu+2 + 2H2O - log_k 8.674 - delta_h -56.42 kJ + Cu(OH)2 + 2 H+ = Cu+2 + 2 H2O + log_k 8.674 + delta_h -56.42 kJ Tenorite - CuO + 2H+ = Cu+2 + H2O - log_k 7.644 - delta_h -64.867 kJ + CuO + 2 H+ = Cu+2 + H2O + log_k 7.644 + delta_h -64.867 kJ Ag2O - Ag2O + 2H+ = 2Ag+ + H2O - log_k 12.574 - delta_h -45.62 kJ + Ag2O + 2 H+ = 2 Ag+ + H2O + log_k 12.574 + delta_h -45.62 kJ Ni(OH)2 - Ni(OH)2 + 2H+ = Ni+2 + 2H2O - log_k 12.794 - delta_h -95.96 kJ + Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O + log_k 12.794 + delta_h -95.96 kJ Bunsenite - NiO + 2H+ = Ni+2 + H2O - log_k 12.4456 - delta_h -100.13 kJ + NiO + 2 H+ = Ni+2 + H2O + log_k 12.4456 + delta_h -100.13 kJ CoO - CoO + 2H+ = Co+2 + H2O - log_k 13.5864 - delta_h -106.295 kJ + CoO + 2 H+ = Co+2 + H2O + log_k 13.5864 + delta_h -106.295 kJ Co(OH)2 - Co(OH)2 + 2H+ = Co+2 + 2H2O - log_k 13.094 - delta_h -0 kJ + Co(OH)2 + 2 H+ = Co+2 + 2 H2O + log_k 13.094 + delta_h -0 kJ Co(OH)3 - Co(OH)3 + 3H+ = Co+3 + 3H2O - log_k -2.309 - delta_h -92.43 kJ + Co(OH)3 + 3 H+ = Co+3 + 3 H2O + log_k -2.309 + delta_h -92.43 kJ #Wustite-0.11 # WUSTITE-0.11 + 2H+ = 0.947Fe+2 + H2O # log_k 11.6879 # delta_h -103.938 kJ Fe(OH)2 - Fe(OH)2 + 2H+ = Fe+2 + 2H2O - log_k 13.564 - delta_h -0 kJ + Fe(OH)2 + 2 H+ = Fe+2 + 2 H2O + log_k 13.564 + delta_h -0 kJ Ferrihydrite - Fe(OH)3 + 3H+ = Fe+3 + 3H2O - log_k 3.191 - delta_h -73.374 kJ + Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O + log_k 3.191 + delta_h -73.374 kJ Fe3(OH)8 - Fe3(OH)8 + 8H+ = 2Fe+3 + Fe+2 + 8H2O - log_k 20.222 - delta_h -0 kJ + Fe3(OH)8 + 8 H+ = 2 Fe+3 + Fe+2 + 8 H2O + log_k 20.222 + delta_h -0 kJ Goethite - FeOOH + 3H+ = Fe+3 + 2H2O - log_k 0.491 - delta_h -60.5843 kJ + FeOOH + 3 H+ = Fe+3 + 2 H2O + log_k 0.491 + delta_h -60.5843 kJ Pyrolusite - MnO2 + 4H+ + 2e- = Mn+2 + 2H2O - log_k 41.38 - delta_h -272 kJ + MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O + log_k 41.38 + delta_h -272 kJ Birnessite - MnO2 + 4H+ + e- = Mn+3 + 2H2O - log_k 18.091 - delta_h -0 kJ + MnO2 + 4 H+ + e- = Mn+3 + 2 H2O + log_k 18.091 + delta_h -0 kJ Nsutite - MnO2 + 4H+ + e- = Mn+3 + 2H2O - log_k 17.504 - delta_h -0 kJ + MnO2 + 4 H+ + e- = Mn+3 + 2 H2O + log_k 17.504 + delta_h -0 kJ Pyrochroite - Mn(OH)2 + 2H+ = Mn+2 + 2H2O - log_k 15.194 - delta_h -97.0099 kJ + Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O + log_k 15.194 + delta_h -97.0099 kJ Manganite - MnOOH + 3H+ + e- = Mn+2 + 2H2O - log_k 25.34 - delta_h -0 kJ + MnOOH + 3 H+ + e- = Mn+2 + 2 H2O + log_k 25.34 + delta_h -0 kJ Cr(OH)2 - Cr(OH)2 + 2H+ = Cr+2 + 2H2O - log_k 10.8189 - delta_h -35.6058 kJ + Cr(OH)2 + 2 H+ = Cr+2 + 2 H2O + log_k 10.8189 + delta_h -35.6058 kJ Cr(OH)3(am) Cr(OH)3 + H+ = Cr(OH)2+ + H2O - log_k -0.75 - delta_h -0 kJ + log_k -0.75 + delta_h -0 kJ Cr(OH)3 Cr(OH)3 + H+ = Cr(OH)2+ + H2O - log_k 1.3355 - delta_h -29.7692 kJ + log_k 1.3355 + delta_h -29.7692 kJ CrO3 - CrO3 + H2O = CrO4-2 + 2H+ - log_k -3.2105 - delta_h -5.2091 kJ + CrO3 + H2O = CrO4-2 + 2 H+ + log_k -3.2105 + delta_h -5.2091 kJ MoO3 - MoO3 + H2O = MoO4-2 + 2H+ - log_k -8 - delta_h -0 kJ + MoO3 + H2O = MoO4-2 + 2 H+ + log_k -8 + delta_h -0 kJ VO - VO + 2H+ = V+3 + H2O + e- - log_k 14.7563 - delta_h -113.041 kJ + VO + 2 H+ = V+3 + H2O + e- + log_k 14.7563 + delta_h -113.041 kJ V(OH)3 - V(OH)3 + 3H+ = V+3 + 3H2O - log_k 7.591 - delta_h -0 kJ + V(OH)3 + 3 H+ = V+3 + 3 H2O + log_k 7.591 + delta_h -0 kJ VO(OH)2 - VO(OH)2 + 2H+ = VO+2 + 2H2O - log_k 5.1506 - delta_h -0 kJ + VO(OH)2 + 2 H+ = VO+2 + 2 H2O + log_k 5.1506 + delta_h -0 kJ Uraninite - UO2 + 4H+ = U+4 + 2H2O - log_k -4.6693 - delta_h -77.86 kJ + UO2 + 4 H+ = U+4 + 2 H2O + log_k -4.6693 + delta_h -77.86 kJ UO2(am) - UO2 + 4H+ = U+4 + 2H2O - log_k 0.934 - delta_h -109.746 kJ + UO2 + 4 H+ = U+4 + 2 H2O + log_k 0.934 + delta_h -109.746 kJ UO3 - UO3 + 2H+ = UO2+2 + H2O - log_k 7.7 - delta_h -81.0299 kJ + UO3 + 2 H+ = UO2+2 + H2O + log_k 7.7 + delta_h -81.0299 kJ Gummite - UO3 + 2H+ = UO2+2 + H2O - log_k 7.6718 - delta_h -81.0299 kJ + UO3 + 2 H+ = UO2+2 + H2O + log_k 7.6718 + delta_h -81.0299 kJ UO2(OH)2(beta) - UO2(OH)2 + 2H+ = UO2+2 + 2H2O - log_k 5.6116 - delta_h -56.7599 kJ + UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O + log_k 5.6116 + delta_h -56.7599 kJ Schoepite - UO2(OH)2:H2O + 2H+ = UO2+2 + 3H2O - log_k 5.994 - delta_h -49.79 kJ + UO2(OH)2:H2O + 2 H+ = UO2+2 + 3 H2O + log_k 5.994 + delta_h -49.79 kJ Be(OH)2(am) - Be(OH)2 + 2H+ = Be+2 + 2H2O - log_k 7.194 - delta_h -0 kJ + Be(OH)2 + 2 H+ = Be+2 + 2 H2O + log_k 7.194 + delta_h -0 kJ Be(OH)2(alpha) - Be(OH)2 + 2H+ = Be+2 + 2H2O - log_k 6.894 - delta_h -0 kJ + Be(OH)2 + 2 H+ = Be+2 + 2 H2O + log_k 6.894 + delta_h -0 kJ Be(OH)2(beta) - Be(OH)2 + 2H+ = Be+2 + 2H2O - log_k 6.494 - delta_h -0 kJ + Be(OH)2 + 2 H+ = Be+2 + 2 H2O + log_k 6.494 + delta_h -0 kJ Brucite - Mg(OH)2 + 2H+ = Mg+2 + 2H2O - log_k 16.844 - delta_h -113.996 kJ + Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O + log_k 16.844 + delta_h -113.996 kJ Periclase - MgO + 2H+ = Mg+2 + H2O - log_k 21.5841 - delta_h -151.23 kJ + MgO + 2 H+ = Mg+2 + H2O + log_k 21.5841 + delta_h -151.23 kJ Mg(OH)2(active) - Mg(OH)2 + 2H+ = Mg+2 + 2H2O - log_k 18.794 - delta_h -0 kJ + Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O + log_k 18.794 + delta_h -0 kJ Lime - CaO + 2H+ = Ca+2 + H2O - log_k 32.6993 - delta_h -193.91 kJ + CaO + 2 H+ = Ca+2 + H2O + log_k 32.6993 + delta_h -193.91 kJ Portlandite - Ca(OH)2 + 2H+ = Ca+2 + 2H2O - log_k 22.804 - delta_h -128.62 kJ + Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O + log_k 22.804 + delta_h -128.62 kJ Ba(OH)2:8H2O - Ba(OH)2:8H2O + 2H+ = Ba+2 + 10H2O - log_k 24.394 - delta_h -54.32 kJ + Ba(OH)2:8H2O + 2 H+ = Ba+2 + 10 H2O + log_k 24.394 + delta_h -54.32 kJ Cu(SbO3)2 - Cu(SbO3)2 + 6H+ + 4e- = 2Sb(OH)3 + Cu+2 - log_k 45.2105 - delta_h -0 kJ + Cu(SbO3)2 + 6 H+ + 4 e- = 2 Sb(OH)3 + Cu+2 + log_k 45.2105 + delta_h -0 kJ Arsenolite - As4O6 + 6H2O = 4H3AsO3 - log_k -2.76 - delta_h 59.9567 kJ + As4O6 + 6 H2O = 4 H3AsO3 + log_k -2.76 + delta_h 59.9567 kJ Claudetite - As4O6 + 6H2O = 4H3AsO3 - log_k -3.065 - delta_h 55.6054 kJ + As4O6 + 6 H2O = 4 H3AsO3 + log_k -3.065 + delta_h 55.6054 kJ As2O5 - As2O5 + 3H2O = 2H3AsO4 - log_k 6.7061 - delta_h -22.64 kJ + As2O5 + 3 H2O = 2 H3AsO4 + log_k 6.7061 + delta_h -22.64 kJ Pb2O3 - Pb2O3 + 6H+ + 2e- = 2Pb+2 + 3H2O - log_k 61.04 - delta_h -0 kJ + Pb2O3 + 6 H+ + 2 e- = 2 Pb+2 + 3 H2O + log_k 61.04 + delta_h -0 kJ Minium - Pb3O4 + 8H+ + 2e- = 3Pb+2 + 4H2O - log_k 73.5219 - delta_h -421.874 kJ + Pb3O4 + 8 H+ + 2 e- = 3 Pb+2 + 4 H2O + log_k 73.5219 + delta_h -421.874 kJ Al2O3 - Al2O3 + 6H+ = 2Al+3 + 3H2O - log_k 19.6524 - delta_h -258.59 kJ + Al2O3 + 6 H+ = 2 Al+3 + 3 H2O + log_k 19.6524 + delta_h -258.59 kJ Co3O4 - Co3O4 + 8H+ = Co+2 + 2Co+3 + 4H2O - log_k -10.4956 - delta_h -107.5 kJ + Co3O4 + 8 H+ = Co+2 + 2 Co+3 + 4 H2O + log_k -10.4956 + delta_h -107.5 kJ CoFe2O4 - CoFe2O4 + 8H+ = Co+2 + 2Fe+3 + 4H2O - log_k -3.5281 - delta_h -158.82 kJ + CoFe2O4 + 8 H+ = Co+2 + 2 Fe+3 + 4 H2O + log_k -3.5281 + delta_h -158.82 kJ Magnetite - Fe3O4 + 8H+ = 2Fe+3 + Fe+2 + 4H2O - log_k 3.4028 - delta_h -208.526 kJ + Fe3O4 + 8 H+ = 2 Fe+3 + Fe+2 + 4 H2O + log_k 3.4028 + delta_h -208.526 kJ Hercynite - FeAl2O4 + 8H+ = Fe+2 + 2Al+3 + 4H2O - log_k 22.893 - delta_h -313.92 kJ + FeAl2O4 + 8 H+ = Fe+2 + 2 Al+3 + 4 H2O + log_k 22.893 + delta_h -313.92 kJ Hematite - Fe2O3 + 6H+ = 2Fe+3 + 3H2O - log_k -1.418 - delta_h -128.987 kJ + Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O + log_k -1.418 + delta_h -128.987 kJ Maghemite - Fe2O3 + 6H+ = 2Fe+3 + 3H2O - log_k 6.386 - delta_h -0 kJ + Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O + log_k 6.386 + delta_h -0 kJ Lepidocrocite - FeOOH + 3H+ = Fe+3 + 2H2O - log_k 1.371 - delta_h -0 kJ + FeOOH + 3 H+ = Fe+3 + 2 H2O + log_k 1.371 + delta_h -0 kJ Hausmannite - Mn3O4 + 8H+ + 2e- = 3Mn+2 + 4H2O - log_k 61.03 - delta_h -421 kJ + Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O + log_k 61.03 + delta_h -421 kJ Bixbyite - Mn2O3 + 6H+ = 2Mn+3 + 3H2O - log_k -0.6445 - delta_h -124.49 kJ + Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O + log_k -0.6445 + delta_h -124.49 kJ Cr2O3 - Cr2O3 + H2O + 2H+ = 2Cr(OH)2+ - log_k -2.3576 - delta_h -50.731 kJ + Cr2O3 + H2O + 2 H+ = 2 Cr(OH)2+ + log_k -2.3576 + delta_h -50.731 kJ #V2O3 # V2O3 + 3H+ = V+3 + 1.5H2O # log_k 4.9 # delta_h -82.5085 kJ V3O5 - V3O5 + 4H+ = 3VO+2 + 2H2O + 2e- - log_k 1.8361 - delta_h -98.46 kJ + V3O5 + 4 H+ = 3 VO+2 + 2 H2O + 2 e- + log_k 1.8361 + delta_h -98.46 kJ #V2O4 # V2O4 + 2H+ = VO+2 + H2O # log_k 4.27 # delta_h -58.8689 kJ V4O7 - V4O7 + 6H+ = 4VO+2 + 3H2O + 2e- - log_k 7.1865 - delta_h -163.89 kJ + V4O7 + 6 H+ = 4 VO+2 + 3 H2O + 2 e- + log_k 7.1865 + delta_h -163.89 kJ V6O13 - V6O13 + 2H+ = 6VO2+ + H2O + 4e- - log_k -60.86 - delta_h 271.5 kJ + V6O13 + 2 H+ = 6 VO2+ + H2O + 4 e- + log_k -60.86 + delta_h 271.5 kJ V2O5 - V2O5 + 2H+ = 2VO2+ + H2O - log_k -1.36 - delta_h 34 kJ + V2O5 + 2 H+ = 2 VO2+ + H2O + log_k -1.36 + delta_h 34 kJ U4O9 - U4O9 + 18H+ + 2e- = 4U+4 + 9H2O - log_k -3.0198 - delta_h -426.87 kJ + U4O9 + 18 H+ + 2 e- = 4 U+4 + 9 H2O + log_k -3.0198 + delta_h -426.87 kJ U3O8 - U3O8 + 16H+ + 4e- = 3U+4 + 8H2O - log_k 21.0834 - delta_h -485.44 kJ + U3O8 + 16 H+ + 4 e- = 3 U+4 + 8 H2O + log_k 21.0834 + delta_h -485.44 kJ Spinel - MgAl2O4 + 8H+ = Mg+2 + 2Al+3 + 4H2O - log_k 36.8476 - delta_h -388.012 kJ + MgAl2O4 + 8 H+ = Mg+2 + 2 Al+3 + 4 H2O + log_k 36.8476 + delta_h -388.012 kJ Magnesioferrite - Fe2MgO4 + 8H+ = Mg+2 + 2Fe+3 + 4H2O - log_k 16.8597 - delta_h -278.92 kJ + Fe2MgO4 + 8 H+ = Mg+2 + 2 Fe+3 + 4 H2O + log_k 16.8597 + delta_h -278.92 kJ Natron - Na2CO3:10H2O = 2Na+ + CO3-2 + 10H2O - log_k -1.311 - delta_h 65.8771 kJ + Na2CO3:10H2O = 2 Na+ + CO3-2 + 10 H2O + log_k -1.311 + delta_h 65.8771 kJ Cuprousferrite - CuFeO2 + 4H+ = Cu+ + Fe+3 + 2H2O - log_k -8.9171 - delta_h -15.89 kJ + CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O + log_k -8.9171 + delta_h -15.89 kJ Cupricferrite - CuFe2O4 + 8H+ = Cu+2 + 2Fe+3 + 4H2O - log_k 5.9882 - delta_h -210.21 kJ + CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O + log_k 5.9882 + delta_h -210.21 kJ FeCr2O4 - FeCr2O4 + 4H+ = 2Cr(OH)2+ + Fe+2 - log_k 7.2003 - delta_h -140.4 kJ + FeCr2O4 + 4 H+ = 2 Cr(OH)2+ + Fe+2 + log_k 7.2003 + delta_h -140.4 kJ MgCr2O4 - MgCr2O4 + 4H+ = 2Cr(OH)2+ + Mg+2 - log_k 16.2007 - delta_h -179.4 kJ + MgCr2O4 + 4 H+ = 2 Cr(OH)2+ + Mg+2 + log_k 16.2007 + delta_h -179.4 kJ SbF3 - SbF3 + 3H2O = Sb(OH)3 + 3H+ + 3F- - log_k -10.2251 - delta_h -6.7279 kJ + SbF3 + 3 H2O = Sb(OH)3 + 3 H+ + 3 F- + log_k -10.2251 + delta_h -6.7279 kJ PbF2 - PbF2 = Pb+2 + 2F- - log_k -7.44 - delta_h 20 kJ + PbF2 = Pb+2 + 2 F- + log_k -7.44 + delta_h 20 kJ ZnF2 - ZnF2 = Zn+2 + 2F- - log_k -0.5343 - delta_h -59.69 kJ + ZnF2 = Zn+2 + 2 F- + log_k -0.5343 + delta_h -59.69 kJ CdF2 - CdF2 = Cd+2 + 2F- - log_k -1.2124 - delta_h -46.22 kJ + CdF2 = Cd+2 + 2 F- + log_k -1.2124 + delta_h -46.22 kJ Hg2F2 - Hg2F2 = Hg2+2 + 2F- - log_k -10.3623 - delta_h -18.486 kJ + Hg2F2 = Hg2+2 + 2 F- + log_k -10.3623 + delta_h -18.486 kJ CuF CuF = Cu+ + F- - log_k -4.9056 - delta_h 16.648 kJ + log_k -4.9056 + delta_h 16.648 kJ CuF2 - CuF2 = Cu+2 + 2F- - log_k 1.115 - delta_h -66.901 kJ + CuF2 = Cu+2 + 2 F- + log_k 1.115 + delta_h -66.901 kJ CuF2:2H2O - CuF2:2H2O = Cu+2 + 2F- + 2H2O - log_k -4.55 - delta_h -15.2716 kJ + CuF2:2H2O = Cu+2 + 2 F- + 2 H2O + log_k -4.55 + delta_h -15.2716 kJ AgF:4H2O - AgF:4H2O = Ag+ + F- + 4H2O - log_k 1.0491 - delta_h 15.4202 kJ + AgF:4H2O = Ag+ + F- + 4 H2O + log_k 1.0491 + delta_h 15.4202 kJ CoF2 - CoF2 = Co+2 + 2F- - log_k -1.5969 - delta_h -57.368 kJ + CoF2 = Co+2 + 2 F- + log_k -1.5969 + delta_h -57.368 kJ CoF3 - CoF3 = Co+3 + 3F- - log_k -1.4581 - delta_h -123.692 kJ + CoF3 = Co+3 + 3 F- + log_k -1.4581 + delta_h -123.692 kJ CrF3 - CrF3 + 2H2O = Cr(OH)2+ + 3F- + 2H+ - log_k -11.3367 - delta_h -23.3901 kJ + CrF3 + 2 H2O = Cr(OH)2+ + 3 F- + 2 H+ + log_k -11.3367 + delta_h -23.3901 kJ VF4 - VF4 + H2O = VO+2 + 4F- + 2H+ - log_k 14.93 - delta_h -199.117 kJ + VF4 + H2O = VO+2 + 4 F- + 2 H+ + log_k 14.93 + delta_h -199.117 kJ UF4 - UF4 = U+4 + 4F- - log_k -29.5371 - delta_h -79.0776 kJ + UF4 = U+4 + 4 F- + log_k -29.5371 + delta_h -79.0776 kJ UF4:2.5H2O - UF4:2.5H2O = U+4 + 4F- + 2.5H2O - log_k -32.7179 - delta_h 24.325 kJ + UF4:2.5H2O = U+4 + 4 F- + 2.5 H2O + log_k -32.7179 + delta_h 24.325 kJ MgF2 - MgF2 = Mg+2 + 2F- - log_k -8.13 - delta_h -8 kJ + MgF2 = Mg+2 + 2 F- + log_k -8.13 + delta_h -8 kJ Fluorite - CaF2 = Ca+2 + 2F- - log_k -10.5 - delta_h 8 kJ + CaF2 = Ca+2 + 2 F- + log_k -10.5 + delta_h 8 kJ SrF2 - SrF2 = Sr+2 + 2F- - log_k -8.58 - delta_h 4 kJ + SrF2 = Sr+2 + 2 F- + log_k -8.58 + delta_h 4 kJ BaF2 - BaF2 = Ba+2 + 2F- - log_k -5.82 - delta_h 4 kJ + BaF2 = Ba+2 + 2 F- + log_k -5.82 + delta_h 4 kJ Cryolite - Na3AlF6 = 3Na+ + Al+3 + 6F- - log_k -33.84 - delta_h 38 kJ + Na3AlF6 = 3 Na+ + Al+3 + 6 F- + log_k -33.84 + delta_h 38 kJ SbCl3 - SbCl3 + 3H2O = Sb(OH)3 + 3Cl- + 3H+ - log_k 0.5719 - delta_h -35.18 kJ + SbCl3 + 3 H2O = Sb(OH)3 + 3 Cl- + 3 H+ + log_k 0.5719 + delta_h -35.18 kJ SnCl2 - SnCl2 + 2H2O = Sn(OH)2 + 2H+ + 2Cl- - log_k -9.2752 - delta_h -0 kJ + SnCl2 + 2 H2O = Sn(OH)2 + 2 H+ + 2 Cl- + log_k -9.2752 + delta_h -0 kJ Cotunnite - PbCl2 = Pb+2 + 2Cl- - log_k -4.78 - delta_h 26.166 kJ + PbCl2 = Pb+2 + 2 Cl- + log_k -4.78 + delta_h 26.166 kJ Matlockite PbClF = Pb+2 + Cl- + F- - log_k -8.9733 - delta_h 33.19 kJ + log_k -8.9733 + delta_h 33.19 kJ Phosgenite - PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2 - log_k -19.81 - delta_h -0 kJ + PbCl2:PbCO3 = 2 Pb+2 + 2 Cl- + CO3-2 + log_k -19.81 + delta_h -0 kJ Laurionite PbOHCl + H+ = Pb+2 + Cl- + H2O - log_k 0.623 - delta_h -0 kJ + log_k 0.623 + delta_h -0 kJ Pb2(OH)3Cl - Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl- - log_k 8.793 - delta_h -0 kJ + Pb2(OH)3Cl + 3 H+ = 2 Pb+2 + 3 H2O + Cl- + log_k 8.793 + delta_h -0 kJ TlCl TlCl = Tl+ + Cl- - log_k -3.74 - delta_h 41 kJ + log_k -3.74 + delta_h 41 kJ ZnCl2 - ZnCl2 = Zn+2 + 2Cl- - log_k 7.05 - delta_h -72.5 kJ + ZnCl2 = Zn+2 + 2 Cl- + log_k 7.05 + delta_h -72.5 kJ Zn2(OH)3Cl - Zn2(OH)3Cl + 3H+ = 2Zn+2 + 3H2O + Cl- - log_k 15.191 - delta_h -0 kJ + Zn2(OH)3Cl + 3 H+ = 2 Zn+2 + 3 H2O + Cl- + log_k 15.191 + delta_h -0 kJ Zn5(OH)8Cl2 - Zn5(OH)8Cl2 + 8H+ = 5Zn+2 + 8H2O + 2Cl- - log_k 38.5 - delta_h -0 kJ + Zn5(OH)8Cl2 + 8 H+ = 5 Zn+2 + 8 H2O + 2 Cl- + log_k 38.5 + delta_h -0 kJ CdCl2 - CdCl2 = Cd+2 + 2Cl- - log_k -0.6588 - delta_h -18.58 kJ + CdCl2 = Cd+2 + 2 Cl- + log_k -0.6588 + delta_h -18.58 kJ CdCl2:1H2O - CdCl2:1H2O = Cd+2 + 2Cl- + H2O - log_k -1.6932 - delta_h -7.47 kJ + CdCl2:H2O = Cd+2 + 2 Cl- + H2O + log_k -1.6932 + delta_h -7.47 kJ CdCl2:2.5H2O - CdCl2:2.5H2O = Cd+2 + 2Cl- + 2.5H2O - log_k -1.913 - delta_h 7.2849 kJ + CdCl2:2.5H2O = Cd+2 + 2 Cl- + 2.5 H2O + log_k -1.913 + delta_h 7.2849 kJ CdOHCl CdOHCl + H+ = Cd+2 + H2O + Cl- - log_k 3.5373 - delta_h -30.93 kJ + log_k 3.5373 + delta_h -30.93 kJ Calomel - Hg2Cl2 = Hg2+2 + 2Cl- - log_k -17.91 - delta_h 92 kJ + Hg2Cl2 = Hg2+2 + 2 Cl- + log_k -17.91 + delta_h 92 kJ HgCl2 - HgCl2 + 2H2O = Hg(OH)2 + 2Cl- + 2H+ - log_k -21.2621 - delta_h 107.82 kJ + HgCl2 + 2 H2O = Hg(OH)2 + 2 Cl- + 2 H+ + log_k -21.2621 + delta_h 107.82 kJ Nantokite CuCl = Cu+ + Cl- - log_k -6.73 - delta_h 42.662 kJ + log_k -6.73 + delta_h 42.662 kJ Melanothallite - CuCl2 = Cu+2 + 2Cl- - log_k 6.2572 - delta_h -63.407 kJ + CuCl2 = Cu+2 + 2 Cl- + log_k 6.2572 + delta_h -63.407 kJ Atacamite - Cu2(OH)3Cl + 3H+ = 2Cu+2 + 3H2O + Cl- - log_k 7.391 - delta_h -93.43 kJ + Cu2(OH)3Cl + 3 H+ = 2 Cu+2 + 3 H2O + Cl- + log_k 7.391 + delta_h -93.43 kJ Cerargyrite AgCl = Ag+ + Cl- - log_k -9.75 - delta_h 65.2 kJ + log_k -9.75 + delta_h 65.2 kJ CoCl2 - CoCl2 = Co+2 + 2Cl- - log_k 8.2672 - delta_h -79.815 kJ + CoCl2 = Co+2 + 2 Cl- + log_k 8.2672 + delta_h -79.815 kJ CoCl2:6H2O - CoCl2:6H2O = Co+2 + 2Cl- + 6H2O - log_k 2.5365 - delta_h 8.0598 kJ + CoCl2:6H2O = Co+2 + 2 Cl- + 6 H2O + log_k 2.5365 + delta_h 8.0598 kJ (Co(NH3)6)Cl3 - (Co(NH3)6)Cl3 + 6H+ = Co+3 + 6NH4+ + 3Cl- - log_k 20.0317 - delta_h -33.1 kJ + (Co(NH3)6)Cl3 + 6 H+ = Co+3 + 6 NH4+ + 3 Cl- + log_k 20.0317 + delta_h -33.1 kJ (Co(NH3)5OH2)Cl3 - (Co(NH3)5OH2)Cl3 + 5H+ = Co+3 + 5NH4+ + 3Cl- + H2O - log_k 11.7351 - delta_h -25.37 kJ + (Co(NH3)5OH2)Cl3 + 5 H+ = Co+3 + 5 NH4+ + 3 Cl- + H2O + log_k 11.7351 + delta_h -25.37 kJ (Co(NH3)5Cl)Cl2 - (Co(NH3)5Cl)Cl2 + 5H+ = Co+3 + 5NH4+ + 3Cl- - log_k 4.5102 - delta_h -10.74 kJ + (Co(NH3)5Cl)Cl2 + 5 H+ = Co+3 + 5 NH4+ + 3 Cl- + log_k 4.5102 + delta_h -10.74 kJ Fe(OH)2.7Cl.3 - Fe(OH)2.7Cl.3 + 2.7H+ = Fe+3 + 2.7H2O + 0.3Cl- - log_k -3.04 - delta_h -0 kJ + Fe(OH)2.7Cl.3 + 2.7 H+ = Fe+3 + 2.7 H2O + 0.3 Cl- + log_k -3.04 + delta_h -0 kJ MnCl2:4H2O - MnCl2:4H2O = Mn+2 + 2Cl- + 4H2O - log_k 2.7151 - delta_h -10.83 kJ + MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O + log_k 2.7151 + delta_h -10.83 kJ CrCl2 - CrCl2 = Cr+2 + 2Cl- - log_k 14.0917 - delta_h -110.76 kJ + CrCl2 = Cr+2 + 2 Cl- + log_k 14.0917 + delta_h -110.76 kJ CrCl3 - CrCl3 + 2H2O = Cr(OH)2+ + 3Cl- + 2H+ - log_k 15.1145 - delta_h -121.08 kJ + CrCl3 + 2 H2O = Cr(OH)2+ + 3 Cl- + 2 H+ + log_k 15.1145 + delta_h -121.08 kJ VCl2 - VCl2 = V+3 + 2Cl- + e- - log_k 18.8744 - delta_h -141.16 kJ + VCl2 = V+3 + 2 Cl- + e- + log_k 18.8744 + delta_h -141.16 kJ VCl3 - VCl3 = V+3 + 3Cl- - log_k 23.4326 - delta_h -179.54 kJ + VCl3 = V+3 + 3 Cl- + log_k 23.4326 + delta_h -179.54 kJ VOCl - VOCl + 2H+ = V+3 + Cl- + H2O - log_k 11.1524 - delta_h -104.91 kJ + VOCl + 2 H+ = V+3 + Cl- + H2O + log_k 11.1524 + delta_h -104.91 kJ VOCl2 - VOCl2 = VO+2 + 2Cl- - log_k 12.7603 - delta_h -117.76 kJ + VOCl2 = VO+2 + 2 Cl- + log_k 12.7603 + delta_h -117.76 kJ VO2Cl VO2Cl = VO2+ + Cl- - log_k 2.8413 - delta_h -40.28 kJ + log_k 2.8413 + delta_h -40.28 kJ Halite NaCl = Na+ + Cl- - log_k 1.6025 - delta_h 3.7 kJ + log_k 1.6025 + delta_h 3.7 kJ SbBr3 - SbBr3 + 3H2O = Sb(OH)3 + 3Br- + 3H+ - log_k 0.9689 - delta_h -20.94 kJ + SbBr3 + 3 H2O = Sb(OH)3 + 3 Br- + 3 H+ + log_k 0.9689 + delta_h -20.94 kJ SnBr2 - SnBr2 + 2H2O = Sn(OH)2 + 2H+ + 2Br- - log_k -9.5443 - delta_h -0 kJ + SnBr2 + 2 H2O = Sn(OH)2 + 2 H+ + 2 Br- + log_k -9.5443 + delta_h -0 kJ SnBr4 - SnBr4 + 6H2O = Sn(OH)6-2 + 6H+ + 4Br- - log_k -28.8468 - delta_h -0 kJ + SnBr4 + 6 H2O = Sn(OH)6-2 + 6 H+ + 4 Br- + log_k -28.8468 + delta_h -0 kJ PbBr2 - PbBr2 = Pb+2 + 2Br- - log_k -5.3 - delta_h 35.499 kJ + PbBr2 = Pb+2 + 2 Br- + log_k -5.3 + delta_h 35.499 kJ PbBrF PbBrF = Pb+2 + Br- + F- - log_k -8.49 - delta_h -0 kJ + log_k -8.49 + delta_h -0 kJ TlBr TlBr = Tl+ + Br- - log_k -5.44 - delta_h 54 kJ + log_k -5.44 + delta_h 54 kJ ZnBr2:2H2O - ZnBr2:2H2O = Zn+2 + 2Br- + 2H2O - log_k 5.2005 - delta_h -30.67 kJ + ZnBr2:2H2O = Zn+2 + 2 Br- + 2 H2O + log_k 5.2005 + delta_h -30.67 kJ CdBr2:4H2O - CdBr2:4H2O = Cd+2 + 2Br- + 4H2O - log_k -2.425 - delta_h 30.5001 kJ + CdBr2:4H2O = Cd+2 + 2 Br- + 4 H2O + log_k -2.425 + delta_h 30.5001 kJ Hg2Br2 - Hg2Br2 = Hg2+2 + 2Br- - log_k -22.25 - delta_h 133 kJ + Hg2Br2 = Hg2+2 + 2 Br- + log_k -22.25 + delta_h 133 kJ HgBr2 - HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+ - log_k -25.2734 - delta_h 138.492 kJ + HgBr2 + 2 H2O = Hg(OH)2 + 2 Br- + 2 H+ + log_k -25.2734 + delta_h 138.492 kJ CuBr CuBr = Cu+ + Br- - log_k -8.3 - delta_h 54.86 kJ + log_k -8.3 + delta_h 54.86 kJ Cu2(OH)3Br - Cu2(OH)3Br + 3H+ = 2Cu+2 + 3H2O + Br- - log_k 7.9085 - delta_h -93.43 kJ + Cu2(OH)3Br + 3 H+ = 2 Cu+2 + 3 H2O + Br- + log_k 7.9085 + delta_h -93.43 kJ Bromyrite AgBr = Ag+ + Br- - log_k -12.3 - delta_h 84.5 kJ + log_k -12.3 + delta_h 84.5 kJ (Co(NH3)6)Br3 - (Co(NH3)6)Br3 + 6H+ = Co+3 + 6NH4+ + 3Br- - log_k 18.3142 - delta_h -21.1899 kJ + (Co(NH3)6)Br3 + 6 H+ = Co+3 + 6 NH4+ + 3 Br- + log_k 18.3142 + delta_h -21.1899 kJ (Co(NH3)5Cl)Br2 - (Co(NH3)5Cl)Br2 + 5H+ = Co+3 + 5NH4+ + Cl- + 2Br- - log_k 5.0295 - delta_h -6.4 kJ + (Co(NH3)5Cl)Br2 + 5 H+ = Co+3 + 5 NH4+ + Cl- + 2 Br- + log_k 5.0295 + delta_h -6.4 kJ CrBr3 - CrBr3 + 2H2O = Cr(OH)2+ + 3Br- + 2H+ - log_k 19.9086 - delta_h -141.323 kJ + CrBr3 + 2 H2O = Cr(OH)2+ + 3 Br- + 2 H+ + log_k 19.9086 + delta_h -141.323 kJ AsI3 - AsI3 + 3H2O = H3AsO3 + 3I- + 3H+ - log_k 4.2307 - delta_h 3.15 kJ + AsI3 + 3 H2O = H3AsO3 + 3 I- + 3 H+ + log_k 4.2307 + delta_h 3.15 kJ SbI3 - SbI3 + 3H2O = Sb(OH)3 + 3H+ + 3I- - log_k -0.538 - delta_h 13.5896 kJ + SbI3 + 3 H2O = Sb(OH)3 + 3 H+ + 3 I- + log_k -0.538 + delta_h 13.5896 kJ PbI2 - PbI2 = Pb+2 + 2I- - log_k -8.1 - delta_h 62 kJ + PbI2 = Pb+2 + 2 I- + log_k -8.1 + delta_h 62 kJ TlI TlI = Tl+ + I- - log_k -7.23 - delta_h 75 kJ + log_k -7.23 + delta_h 75 kJ ZnI2 - ZnI2 = Zn+2 + 2I- - log_k 7.3055 - delta_h -58.92 kJ + ZnI2 = Zn+2 + 2 I- + log_k 7.3055 + delta_h -58.92 kJ CdI2 - CdI2 = Cd+2 + 2I- - log_k -3.5389 - delta_h 13.82 kJ + CdI2 = Cd+2 + 2 I- + log_k -3.5389 + delta_h 13.82 kJ Hg2I2 - Hg2I2 = Hg2+2 + 2I- - log_k -28.34 - delta_h 163 kJ + Hg2I2 = Hg2+2 + 2 I- + log_k -28.34 + delta_h 163 kJ Coccinite - HgI2 + 2H2O = Hg(OH)2 + 2H+ + 2I- - log_k -34.9525 - delta_h 210.72 kJ + HgI2 + 2 H2O = Hg(OH)2 + 2 H+ + 2 I- + log_k -34.9525 + delta_h 210.72 kJ HgI2:2NH3 - HgI2:2NH3 + 2H2O = Hg(OH)2 + 2I- + 2NH4+ - log_k -16.2293 - delta_h 132.18 kJ + HgI2:2NH3 + 2 H2O = Hg(OH)2 + 2 I- + 2 NH4+ + log_k -16.2293 + delta_h 132.18 kJ HgI2:6NH3 - HgI2:6NH3 + 2H2O + 4H+ = Hg(OH)2 + 2I- + 6NH4+ - log_k 33.7335 - delta_h -90.3599 kJ + HgI2:6NH3 + 2 H2O + 4 H+ = Hg(OH)2 + 2 I- + 6 NH4+ + log_k 33.7335 + delta_h -90.3599 kJ CuI CuI = Cu+ + I- - log_k -12 - delta_h 82.69 kJ + log_k -12 + delta_h 82.69 kJ Iodyrite AgI = Ag+ + I- - log_k -16.08 - delta_h 110 kJ + log_k -16.08 + delta_h 110 kJ (Co(NH3)6)I3 - (Co(NH3)6)I3 + 6H+ = Co+3 + 6NH4+ + 3I- - log_k 16.5831 - delta_h -9.6999 kJ + (Co(NH3)6)I3 + 6 H+ = Co+3 + 6 NH4+ + 3 I- + log_k 16.5831 + delta_h -9.6999 kJ (Co(NH3)5Cl)I2 - (Co(NH3)5Cl)I2 + 5H+ = Co+3 + 5NH4+ + Cl- + 2I- - log_k 5.5981 - delta_h 0.66 kJ + (Co(NH3)5Cl)I2 + 5 H+ = Co+3 + 5 NH4+ + Cl- + 2 I- + log_k 5.5981 + delta_h 0.66 kJ CrI3 - CrI3 + 2H2O = Cr(OH)2+ + 3I- + 2H+ - log_k 20.4767 - delta_h -134.419 kJ + CrI3 + 2 H2O = Cr(OH)2+ + 3 I- + 2 H+ + log_k 20.4767 + delta_h -134.419 kJ Cerussite PbCO3 = Pb+2 + CO3-2 - log_k -13.13 - delta_h 24.79 kJ + log_k -13.13 + delta_h 24.79 kJ Pb2OCO3 - Pb2OCO3 + 2H+ = 2Pb+2 + H2O + CO3-2 - log_k -0.5578 - delta_h -40.8199 kJ + Pb2OCO3 + 2 H+ = 2 Pb+2 + H2O + CO3-2 + log_k -0.5578 + delta_h -40.8199 kJ Pb3O2CO3 - Pb3O2CO3 + 4H+ = 3Pb+2 + CO3-2 + 2H2O - log_k 11.02 - delta_h -110.583 kJ + Pb3O2CO3 + 4 H+ = 3 Pb+2 + CO3-2 + 2 H2O + log_k 11.02 + delta_h -110.583 kJ Hydrocerussite - Pb3(OH)2(CO3)2 + 2H+ = 3Pb+2 + 2H2O + 2CO3-2 - log_k -18.7705 - delta_h -0 kJ + Pb3(OH)2(CO3)2 + 2 H+ = 3 Pb+2 + 2 H2O + 2 CO3-2 + log_k -18.7705 + delta_h -0 kJ Pb10(OH)6O(CO3)6 - Pb10(OH)6O(CO3)6 + 8H+ = 10Pb+2 + 6CO3-2 + 7H2O - log_k -8.76 - delta_h -0 kJ + Pb10(OH)6O(CO3)6 + 8 H+ = 10 Pb+2 + 6 CO3-2 + 7 H2O + log_k -8.76 + delta_h -0 kJ Tl2CO3 - Tl2CO3 = 2Tl+ + CO3-2 - log_k -3.8367 - delta_h 35.49 kJ + Tl2CO3 = 2 Tl+ + CO3-2 + log_k -3.8367 + delta_h 35.49 kJ Smithsonite ZnCO3 = Zn+2 + CO3-2 - log_k -10 - delta_h -15.84 kJ + log_k -10 + delta_h -15.84 kJ ZnCO3:1H2O - ZnCO3:1H2O = Zn+2 + CO3-2 + H2O - log_k -10.26 - delta_h -0 kJ + ZnCO3:H2O = Zn+2 + CO3-2 + H2O + log_k -10.26 + delta_h -0 kJ Otavite CdCO3 = Cd+2 + CO3-2 - log_k -12 - delta_h -0.55 kJ + log_k -12 + delta_h -0.55 kJ Hg2CO3 Hg2CO3 = Hg2+2 + CO3-2 - log_k -16.05 - delta_h 45.14 kJ + log_k -16.05 + delta_h 45.14 kJ Hg3O2CO3 - Hg3O2CO3 + 4H2O = 3Hg(OH)2 + 2H+ + CO3-2 - log_k -29.682 - delta_h -0 kJ + Hg3O2CO3 + 4 H2O = 3 Hg(OH)2 + 2 H+ + CO3-2 + log_k -29.682 + delta_h -0 kJ CuCO3 CuCO3 = Cu+2 + CO3-2 - log_k -11.5 - delta_h -0 kJ + log_k -11.5 + delta_h -0 kJ Malachite - Cu2(OH)2CO3 + 2H+ = 2Cu+2 + 2H2O + CO3-2 - log_k -5.306 - delta_h 76.38 kJ + Cu2(OH)2CO3 + 2 H+ = 2 Cu+2 + 2 H2O + CO3-2 + log_k -5.306 + delta_h 76.38 kJ Azurite - Cu3(OH)2(CO3)2 + 2H+ = 3Cu+2 + 2H2O + 2CO3-2 - log_k -16.906 - delta_h -95.22 kJ + Cu3(OH)2(CO3)2 + 2 H+ = 3 Cu+2 + 2 H2O + 2 CO3-2 + log_k -16.906 + delta_h -95.22 kJ Ag2CO3 - Ag2CO3 = 2Ag+ + CO3-2 - log_k -11.09 - delta_h 42.15 kJ + Ag2CO3 = 2 Ag+ + CO3-2 + log_k -11.09 + delta_h 42.15 kJ NiCO3 NiCO3 = Ni+2 + CO3-2 - log_k -6.87 - delta_h -41.589 kJ + log_k -6.87 + delta_h -41.589 kJ CoCO3 CoCO3 = Co+2 + CO3-2 - log_k -9.98 - delta_h -12.7612 kJ + log_k -9.98 + delta_h -12.7612 kJ Siderite FeCO3 = Fe+2 + CO3-2 - log_k -10.24 - delta_h -16 kJ + log_k -10.24 + delta_h -16 kJ Rhodochrosite MnCO3 = Mn+2 + CO3-2 - log_k -10.58 - delta_h -1.88 kJ + log_k -10.58 + delta_h -1.88 kJ Rutherfordine UO2CO3 = UO2+2 + CO3-2 - log_k -14.5 - delta_h -3.03 kJ + log_k -14.5 + delta_h -3.03 kJ Artinite - MgCO3:Mg(OH)2:3H2O + 2H+ = 2Mg+2 + CO3-2 + 5H2O - log_k 9.6 - delta_h -120.257 kJ + MgCO3:Mg(OH)2:3H2O + 2 H+ = 2 Mg+2 + CO3-2 + 5 H2O + log_k 9.6 + delta_h -120.257 kJ Hydromagnesite - Mg5(CO3)4(OH)2:4H2O + 2H+ = 5Mg+2 + 4CO3-2 + 6H2O - log_k -8.766 - delta_h -218.447 kJ + Mg5(CO3)4(OH)2:4H2O + 2 H+ = 5 Mg+2 + 4 CO3-2 + 6 H2O + log_k -8.766 + delta_h -218.447 kJ Magnesite MgCO3 = Mg+2 + CO3-2 - log_k -7.46 - delta_h 20 kJ + log_k -7.46 + delta_h 20 kJ Nesquehonite - MgCO3:3H2O = Mg+2 + CO3-2 + 3H2O - log_k -4.67 - delta_h -24.2212 kJ + MgCO3:3H2O = Mg+2 + CO3-2 + 3 H2O + log_k -4.67 + delta_h -24.2212 kJ Aragonite CaCO3 = Ca+2 + CO3-2 - log_k -8.3 - delta_h -12 kJ + log_k -8.3 + delta_h -12 kJ Calcite CaCO3 = Ca+2 + CO3-2 - log_k -8.48 - delta_h -8 kJ + log_k -8.48 + delta_h -8 kJ Dolomite(ordered) - CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2 - log_k -17.09 - delta_h -39.5 kJ + CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 + log_k -17.09 + delta_h -39.5 kJ Dolomite(disordered) - CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2 - log_k -16.54 - delta_h -46.4 kJ + CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 + log_k -16.54 + delta_h -46.4 kJ Huntite - CaMg3(CO3)4 = 3Mg+2 + Ca+2 + 4CO3-2 - log_k -29.968 - delta_h -107.78 kJ + CaMg3(CO3)4 = 3 Mg+2 + Ca+2 + 4 CO3-2 + log_k -29.968 + delta_h -107.78 kJ Strontianite SrCO3 = Sr+2 + CO3-2 - log_k -9.27 - delta_h -0 kJ + log_k -9.27 + delta_h -0 kJ Witherite BaCO3 = Ba+2 + CO3-2 - log_k -8.57 - delta_h 4 kJ + log_k -8.57 + delta_h 4 kJ Thermonatrite - Na2CO3:H2O = 2Na+ + CO3-2 + H2O - log_k 0.637 - delta_h -10.4799 kJ + Na2CO3:H2O = 2 Na+ + CO3-2 + H2O + log_k 0.637 + delta_h -10.4799 kJ TlNO3 TlNO3 = Tl+ + NO3- - log_k -1.6127 - delta_h 42.44 kJ + log_k -1.6127 + delta_h 42.44 kJ Zn(NO3)2:6H2O - Zn(NO3)2:6H2O = Zn+2 + 2NO3- + 6H2O - log_k 3.3153 - delta_h 24.5698 kJ + Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O + log_k 3.3153 + delta_h 24.5698 kJ Cu2(OH)3NO3 - Cu2(OH)3NO3 + 3H+ = 2Cu+2 + 3H2O + NO3- - log_k 9.251 - delta_h -72.5924 kJ + Cu2(OH)3NO3 + 3 H+ = 2 Cu+2 + 3 H2O + NO3- + log_k 9.251 + delta_h -72.5924 kJ (Co(NH3)6)(NO3)3 - (Co(NH3)6)(NO3)3 + 6H+ = Co+3 + 6NH4+ + 3NO3- - log_k 17.9343 - delta_h 1.59 kJ + (Co(NH3)6)(NO3)3 + 6 H+ = Co+3 + 6 NH4+ + 3 NO3- + log_k 17.9343 + delta_h 1.59 kJ (Co(NH3)5Cl)(NO3)2 - (Co(NH3)5Cl)(NO3)2 + 5H+ = Co+3 + 5NH4+ + Cl- + 2NO3- - log_k 6.2887 - delta_h 6.4199 kJ + (Co(NH3)5Cl)(NO3)2 + 5 H+ = Co+3 + 5 NH4+ + Cl- + 2 NO3- + log_k 6.2887 + delta_h 6.4199 kJ UO2(NO3)2 - UO2(NO3)2 = UO2+2 + 2NO3- - log_k 12.1476 - delta_h -83.3999 kJ + UO2(NO3)2 = UO2+2 + 2 NO3- + log_k 12.1476 + delta_h -83.3999 kJ UO2(NO3)2:2H2O - UO2(NO3)2:2H2O = UO2+2 + 2NO3- + 2H2O - log_k 4.851 - delta_h -25.355 kJ + UO2(NO3)2:2H2O = UO2+2 + 2 NO3- + 2 H2O + log_k 4.851 + delta_h -25.355 kJ UO2(NO3)2:3H2O - UO2(NO3)2:3H2O = UO2+2 + 2NO3- + 3H2O - log_k 3.39 - delta_h -9.1599 kJ + UO2(NO3)2:3H2O = UO2+2 + 2 NO3- + 3 H2O + log_k 3.39 + delta_h -9.1599 kJ UO2(NO3)2:6H2O - UO2(NO3)2:6H2O = UO2+2 + 2NO3- + 6H2O - log_k 2.0464 - delta_h 20.8201 kJ + UO2(NO3)2:6H2O = UO2+2 + 2 NO3- + 6 H2O + log_k 2.0464 + delta_h 20.8201 kJ Pb(BO2)2 - Pb(BO2)2 + 2H2O + 2H+ = Pb+2 + 2H3BO3 - log_k 6.5192 - delta_h -15.6119 kJ + Pb(BO2)2 + 2 H2O + 2 H+ = Pb+2 + 2 H3BO3 + log_k 6.5192 + delta_h -15.6119 kJ Zn(BO2)2 - Zn(BO2)2 + 2H2O + 2H+ = Zn+2 + 2H3BO3 - log_k 8.29 - delta_h -0 kJ + Zn(BO2)2 + 2 H2O + 2 H+ = Zn+2 + 2 H3BO3 + log_k 8.29 + delta_h -0 kJ Cd(BO2)2 - Cd(BO2)2 + 2H2O + 2H+ = Cd+2 + 2H3BO3 - log_k 9.84 - delta_h -0 kJ + Cd(BO2)2 + 2 H2O + 2 H+ = Cd+2 + 2 H3BO3 + log_k 9.84 + delta_h -0 kJ Co(BO2)2 - Co(BO2)2 + 2H2O + 2H+ = Co+2 + 2H3BO3 - log_k 27.0703 - delta_h -0 kJ + Co(BO2)2 + 2 H2O + 2 H+ = Co+2 + 2 H3BO3 + log_k 27.0703 + delta_h -0 kJ SnSO4 - SnSO4 + 2H2O = Sn(OH)2 + 2H+ + SO4-2 - log_k -56.9747 - delta_h -0 kJ + SnSO4 + 2 H2O = Sn(OH)2 + 2 H+ + SO4-2 + log_k -56.9747 + delta_h -0 kJ Sn(SO4)2 - Sn(SO4)2 + 6H2O = Sn(OH)6-2 + 6H+ + 2SO4-2 - log_k -15.2123 - delta_h -0 kJ + Sn(SO4)2 + 6 H2O = Sn(OH)6-2 + 6 H+ + 2 SO4-2 + log_k -15.2123 + delta_h -0 kJ Larnakite - PbO:PbSO4 + 2H+ = 2Pb+2 + SO4-2 + H2O - log_k -0.4344 - delta_h -21.83 kJ + PbO:PbSO4 + 2 H+ = 2 Pb+2 + SO4-2 + H2O + log_k -0.4344 + delta_h -21.83 kJ Pb3O2SO4 - Pb3O2SO4 + 4H+ = 3Pb+2 + SO4-2 + 2H2O - log_k 10.6864 - delta_h -79.14 kJ + Pb3O2SO4 + 4 H+ = 3 Pb+2 + SO4-2 + 2 H2O + log_k 10.6864 + delta_h -79.14 kJ Pb4O3SO4 - Pb4O3SO4 + 6H+ = 4Pb+2 + SO4-2 + 3H2O - log_k 21.8772 - delta_h -136.45 kJ + Pb4O3SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 3 H2O + log_k 21.8772 + delta_h -136.45 kJ Anglesite PbSO4 = Pb+2 + SO4-2 - log_k -7.79 - delta_h 12 kJ + log_k -7.79 + delta_h 12 kJ Pb4(OH)6SO4 - Pb4(OH)6SO4 + 6H+ = 4Pb+2 + SO4-2 + 6H2O - log_k 21.1 - delta_h -0 kJ + Pb4(OH)6SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 6 H2O + log_k 21.1 + delta_h -0 kJ AlOHSO4 AlOHSO4 + H+ = Al+3 + SO4-2 + H2O - log_k -3.23 - delta_h -0 kJ + log_k -3.23 + delta_h -0 kJ Al4(OH)10SO4 - Al4(OH)10SO4 + 10H+ = 4Al+3 + SO4-2 + 10H2O - log_k 22.7 - delta_h -0 kJ + Al4(OH)10SO4 + 10 H+ = 4 Al+3 + SO4-2 + 10 H2O + log_k 22.7 + delta_h -0 kJ Tl2SO4 - Tl2SO4 = 2Tl+ + SO4-2 - log_k -3.7868 - delta_h 33.1799 kJ + Tl2SO4 = 2 Tl+ + SO4-2 + log_k -3.7868 + delta_h 33.1799 kJ Zn2(OH)2SO4 - Zn2(OH)2SO4 + 2H+ = 2Zn+2 + 2H2O + SO4-2 - log_k 7.5 - delta_h -0 kJ + Zn2(OH)2SO4 + 2 H+ = 2 Zn+2 + 2 H2O + SO4-2 + log_k 7.5 + delta_h -0 kJ Zn4(OH)6SO4 - Zn4(OH)6SO4 + 6H+ = 4Zn+2 + 6H2O + SO4-2 - log_k 28.4 - delta_h -0 kJ + Zn4(OH)6SO4 + 6 H+ = 4 Zn+2 + 6 H2O + SO4-2 + log_k 28.4 + delta_h -0 kJ Zn3O(SO4)2 - Zn3O(SO4)2 + 2H+ = 3Zn+2 + 2SO4-2 + H2O - log_k 18.9135 - delta_h -258.08 kJ + Zn3O(SO4)2 + 2 H+ = 3 Zn+2 + 2 SO4-2 + H2O + log_k 18.9135 + delta_h -258.08 kJ Zincosite ZnSO4 = Zn+2 + SO4-2 - log_k 3.9297 - delta_h -82.586 kJ + log_k 3.9297 + delta_h -82.586 kJ ZnSO4:1H2O - ZnSO4:1H2O = Zn+2 + SO4-2 + H2O - log_k -0.638 - delta_h -44.0699 kJ + ZnSO4:H2O = Zn+2 + SO4-2 + H2O + log_k -0.638 + delta_h -44.0699 kJ Bianchite - ZnSO4:6H2O = Zn+2 + SO4-2 + 6H2O - log_k -1.765 - delta_h -0.6694 kJ + ZnSO4:6H2O = Zn+2 + SO4-2 + 6 H2O + log_k -1.765 + delta_h -0.6694 kJ Goslarite - ZnSO4:7H2O = Zn+2 + SO4-2 + 7H2O - log_k -2.0112 - delta_h 14.21 kJ + ZnSO4:7H2O = Zn+2 + SO4-2 + 7 H2O + log_k -2.0112 + delta_h 14.21 kJ Cd3(OH)4SO4 - Cd3(OH)4SO4 + 4H+ = 3Cd+2 + 4H2O + SO4-2 - log_k 22.56 - delta_h -0 kJ + Cd3(OH)4SO4 + 4 H+ = 3 Cd+2 + 4 H2O + SO4-2 + log_k 22.56 + delta_h -0 kJ Cd3(OH)2(SO4)2 - Cd3(OH)2(SO4)2 + 2H+ = 3Cd+2 + 2H2O + 2SO4-2 - log_k 6.71 - delta_h -0 kJ + Cd3(OH)2(SO4)2 + 2 H+ = 3 Cd+2 + 2 H2O + 2 SO4-2 + log_k 6.71 + delta_h -0 kJ Cd4(OH)6SO4 - Cd4(OH)6SO4 + 6H+ = 4Cd+2 + 6H2O + SO4-2 - log_k 28.4 - delta_h -0 kJ + Cd4(OH)6SO4 + 6 H+ = 4 Cd+2 + 6 H2O + SO4-2 + log_k 28.4 + delta_h -0 kJ CdSO4 CdSO4 = Cd+2 + SO4-2 - log_k -0.1722 - delta_h -51.98 kJ + log_k -0.1722 + delta_h -51.98 kJ CdSO4:1H2O - CdSO4:1H2O = Cd+2 + SO4-2 + H2O - log_k -1.7261 - delta_h -31.5399 kJ + CdSO4:H2O = Cd+2 + SO4-2 + H2O + log_k -1.7261 + delta_h -31.5399 kJ CdSO4:2.67H2O - CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67H2O - log_k -1.873 - delta_h -17.9912 kJ + CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67 H2O + log_k -1.873 + delta_h -17.9912 kJ Hg2SO4 Hg2SO4 = Hg2+2 + SO4-2 - log_k -6.13 - delta_h 5.4 kJ + log_k -6.13 + delta_h 5.4 kJ HgSO4 - HgSO4 + 2H2O = Hg(OH)2 + SO4-2 + 2H+ - log_k -9.4189 - delta_h 14.6858 kJ + HgSO4 + 2 H2O = Hg(OH)2 + SO4-2 + 2 H+ + log_k -9.4189 + delta_h 14.6858 kJ Cu2SO4 - Cu2SO4 = 2Cu+ + SO4-2 - log_k -1.95 - delta_h -19.079 kJ + Cu2SO4 = 2 Cu+ + SO4-2 + log_k -1.95 + delta_h -19.079 kJ Antlerite - Cu3(OH)4SO4 + 4H+ = 3Cu+2 + 4H2O + SO4-2 - log_k 8.788 - delta_h -0 kJ + Cu3(OH)4SO4 + 4 H+ = 3 Cu+2 + 4 H2O + SO4-2 + log_k 8.788 + delta_h -0 kJ Brochantite - Cu4(OH)6SO4 + 6H+ = 4Cu+2 + 6H2O + SO4-2 - log_k 15.222 - delta_h -202.86 kJ + Cu4(OH)6SO4 + 6 H+ = 4 Cu+2 + 6 H2O + SO4-2 + log_k 15.222 + delta_h -202.86 kJ Langite - Cu4(OH)6SO4:H2O + 6H+ = 4Cu+2 + 7H2O + SO4-2 - log_k 17.4886 - delta_h -165.55 kJ + Cu4(OH)6SO4:H2O + 6 H+ = 4 Cu+2 + 7 H2O + SO4-2 + log_k 17.4886 + delta_h -165.55 kJ CuOCuSO4 - CuOCuSO4 + 2H+ = 2Cu+2 + H2O + SO4-2 - log_k 10.3032 - delta_h -137.777 kJ + CuOCuSO4 + 2 H+ = 2 Cu+2 + H2O + SO4-2 + log_k 10.3032 + delta_h -137.777 kJ CuSO4 CuSO4 = Cu+2 + SO4-2 - log_k 2.9395 - delta_h -73.04 kJ + log_k 2.9395 + delta_h -73.04 kJ Chalcanthite - CuSO4:5H2O = Cu+2 + SO4-2 + 5H2O - log_k -2.64 - delta_h 6.025 kJ + CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O + log_k -2.64 + delta_h 6.025 kJ Ag2SO4 - Ag2SO4 = 2Ag+ + SO4-2 - log_k -4.82 - delta_h 17 kJ + Ag2SO4 = 2 Ag+ + SO4-2 + log_k -4.82 + delta_h 17 kJ Ni4(OH)6SO4 - Ni4(OH)6SO4 + 6H+ = 4Ni+2 + SO4-2 + 6H2O - log_k 32 - delta_h -0 kJ + Ni4(OH)6SO4 + 6 H+ = 4 Ni+2 + SO4-2 + 6 H2O + log_k 32 + delta_h -0 kJ Retgersite - NiSO4:6H2O = Ni+2 + SO4-2 + 6H2O - log_k -2.04 - delta_h 4.6024 kJ + NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O + log_k -2.04 + delta_h 4.6024 kJ Morenosite - NiSO4:7H2O = Ni+2 + SO4-2 + 7H2O - log_k -2.1449 - delta_h 12.1802 kJ + NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O + log_k -2.1449 + delta_h 12.1802 kJ CoSO4 CoSO4 = Co+2 + SO4-2 - log_k 2.8024 - delta_h -79.277 kJ + log_k 2.8024 + delta_h -79.277 kJ CoSO4:6H2O - CoSO4:6H2O = Co+2 + SO4-2 + 6H2O - log_k -2.4726 - delta_h 1.0801 kJ + CoSO4:6H2O = Co+2 + SO4-2 + 6 H2O + log_k -2.4726 + delta_h 1.0801 kJ Melanterite - FeSO4:7H2O = Fe+2 + SO4-2 + 7H2O - log_k -2.209 - delta_h 20.5 kJ + FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O + log_k -2.209 + delta_h 20.5 kJ Fe2(SO4)3 - Fe2(SO4)3 = 2Fe+3 + 3SO4-2 - log_k -3.7343 - delta_h -242.028 kJ + Fe2(SO4)3 = 2 Fe+3 + 3 SO4-2 + log_k -3.7343 + delta_h -242.028 kJ H-Jarosite - (H3O)Fe3(SO4)2(OH)6 + 5H+ = 3Fe+3 + 2SO4-2 + 7H2O - log_k -12.1 - delta_h -230.748 kJ + (H3O)Fe3(SO4)2(OH)6 + 5 H+ = 3 Fe+3 + 2 SO4-2 + 7 H2O + log_k -12.1 + delta_h -230.748 kJ Na-Jarosite - NaFe3(SO4)2(OH)6 + 6H+ = Na+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -11.2 - delta_h -151.377 kJ + NaFe3(SO4)2(OH)6 + 6 H+ = Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -11.2 + delta_h -151.377 kJ K-Jarosite - KFe3(SO4)2(OH)6 + 6H+ = K+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -14.8 - delta_h -130.875 kJ + KFe3(SO4)2(OH)6 + 6 H+ = K+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -14.8 + delta_h -130.875 kJ MnSO4 MnSO4 = Mn+2 + SO4-2 - log_k 2.5831 - delta_h -64.8401 kJ + log_k 2.5831 + delta_h -64.8401 kJ Mn2(SO4)3 - Mn2(SO4)3 = 2Mn+3 + 3SO4-2 - log_k -5.711 - delta_h -163.427 kJ + Mn2(SO4)3 = 2 Mn+3 + 3 SO4-2 + log_k -5.711 + delta_h -163.427 kJ VOSO4 VOSO4 = VO+2 + SO4-2 - log_k 3.6097 - delta_h -86.7401 kJ + log_k 3.6097 + delta_h -86.7401 kJ Epsomite - MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O - log_k -2.1265 - delta_h 11.5601 kJ + MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O + log_k -2.1265 + delta_h 11.5601 kJ Anhydrite CaSO4 = Ca+2 + SO4-2 - log_k -4.36 - delta_h -7.2 kJ + log_k -4.36 + delta_h -7.2 kJ Gypsum - CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O - log_k -4.61 - delta_h 1 kJ + CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O + log_k -4.61 + delta_h 1 kJ Celestite SrSO4 = Sr+2 + SO4-2 - log_k -6.62 - delta_h 2 kJ + log_k -6.62 + delta_h 2 kJ Barite BaSO4 = Ba+2 + SO4-2 - log_k -9.98 - delta_h 23 kJ + log_k -9.98 + delta_h 23 kJ Mirabilite - Na2SO4:10H2O = 2Na+ + SO4-2 + 10H2O - log_k -1.114 - delta_h 79.4416 kJ + Na2SO4:10H2O = 2 Na+ + SO4-2 + 10 H2O + log_k -1.114 + delta_h 79.4416 kJ Thenardite - Na2SO4 = 2Na+ + SO4-2 - log_k 0.3217 - delta_h -9.121 kJ + Na2SO4 = 2 Na+ + SO4-2 + log_k 0.3217 + delta_h -9.121 kJ K-Alum - KAl(SO4)2:12H2O = K+ + Al+3 + 2SO4-2 + 12H2O - log_k -5.17 - delta_h 30.2085 kJ + KAl(SO4)2:12H2O = K+ + Al+3 + 2 SO4-2 + 12 H2O + log_k -5.17 + delta_h 30.2085 kJ Alunite - KAl3(SO4)2(OH)6 + 6H+ = K+ + 3Al+3 + 2SO4-2 + 6H2O - log_k -1.4 - delta_h -210 kJ + KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O + log_k -1.4 + delta_h -210 kJ (NH4)2CrO4 - (NH4)2CrO4 = CrO4-2 + 2NH4+ - log_k 0.4046 - delta_h 9.163 kJ + (NH4)2CrO4 = CrO4-2 + 2 NH4+ + log_k 0.4046 + delta_h 9.163 kJ PbCrO4 PbCrO4 = Pb+2 + CrO4-2 - log_k -12.6 - delta_h 44.18 kJ + log_k -12.6 + delta_h 44.18 kJ Tl2CrO4 - Tl2CrO4 = 2Tl+ + CrO4-2 - log_k -12.01 - delta_h 74.27 kJ + Tl2CrO4 = 2 Tl+ + CrO4-2 + log_k -12.01 + delta_h 74.27 kJ Hg2CrO4 Hg2CrO4 = Hg2+2 + CrO4-2 - log_k -8.7 - delta_h -0 kJ + log_k -8.7 + delta_h -0 kJ CuCrO4 CuCrO4 = Cu+2 + CrO4-2 - log_k -5.44 - delta_h -0 kJ + log_k -5.44 + delta_h -0 kJ Ag2CrO4 - Ag2CrO4 = 2Ag+ + CrO4-2 - log_k -11.59 - delta_h 62 kJ + Ag2CrO4 = 2 Ag+ + CrO4-2 + log_k -11.59 + delta_h 62 kJ MgCrO4 MgCrO4 = CrO4-2 + Mg+2 - log_k 5.3801 - delta_h -88.9518 kJ + log_k 5.3801 + delta_h -88.9518 kJ CaCrO4 CaCrO4 = Ca+2 + CrO4-2 - log_k -2.2657 - delta_h -26.945 kJ + log_k -2.2657 + delta_h -26.945 kJ SrCrO4 SrCrO4 = Sr+2 + CrO4-2 - log_k -4.65 - delta_h -10.1253 kJ + log_k -4.65 + delta_h -10.1253 kJ BaCrO4 BaCrO4 = Ba+2 + CrO4-2 - log_k -9.67 - delta_h 33 kJ + log_k -9.67 + delta_h 33 kJ Li2CrO4 - Li2CrO4 = CrO4-2 + 2Li+ - log_k 4.8568 - delta_h -45.2792 kJ + Li2CrO4 = CrO4-2 + 2 Li+ + log_k 4.8568 + delta_h -45.2792 kJ Na2CrO4 - Na2CrO4 = CrO4-2 + 2Na+ - log_k 2.9302 - delta_h -19.6301 kJ + Na2CrO4 = CrO4-2 + 2 Na+ + log_k 2.9302 + delta_h -19.6301 kJ Na2Cr2O7 - Na2Cr2O7 + H2O = 2CrO4-2 + 2Na+ + 2H+ - log_k -9.8953 - delta_h 22.1961 kJ + Na2Cr2O7 + H2O = 2 CrO4-2 + 2 Na+ + 2 H+ + log_k -9.8953 + delta_h 22.1961 kJ K2CrO4 - K2CrO4 = CrO4-2 + 2K+ - log_k -0.5134 - delta_h 18.2699 kJ + K2CrO4 = CrO4-2 + 2 K+ + log_k -0.5134 + delta_h 18.2699 kJ K2Cr2O7 - K2Cr2O7 + H2O = 2CrO4-2 + 2K+ + 2H+ - log_k -17.2424 - delta_h 80.7499 kJ + K2Cr2O7 + H2O = 2 CrO4-2 + 2 K+ + 2 H+ + log_k -17.2424 + delta_h 80.7499 kJ Hg2SeO3 Hg2SeO3 + H+ = Hg2+2 + HSeO3- - log_k -4.657 - delta_h -0 kJ + log_k -4.657 + delta_h -0 kJ HgSeO3 - HgSeO3 + 2H2O = Hg(OH)2 + H+ + HSeO3- - log_k -12.43 - delta_h -0 kJ + HgSeO3 + 2 H2O = Hg(OH)2 + H+ + HSeO3- + log_k -12.43 + delta_h -0 kJ Ag2SeO3 - Ag2SeO3 + H+ = 2Ag+ + HSeO3- - log_k -7.15 - delta_h 39.68 kJ + Ag2SeO3 + H+ = 2 Ag+ + HSeO3- + log_k -7.15 + delta_h 39.68 kJ CuSeO3:2H2O - CuSeO3:2H2O + H+ = Cu+2 + HSeO3- + 2H2O - log_k 0.5116 - delta_h -36.861 kJ + CuSeO3:2H2O + H+ = Cu+2 + HSeO3- + 2 H2O + log_k 0.5116 + delta_h -36.861 kJ NiSeO3:2H2O - NiSeO3:2H2O + H+ = HSeO3- + Ni+2 + 2H2O - log_k 2.8147 - delta_h -31.0034 kJ + NiSeO3:2H2O + H+ = HSeO3- + Ni+2 + 2 H2O + log_k 2.8147 + delta_h -31.0034 kJ CoSeO3 CoSeO3 + H+ = Co+2 + HSeO3- - log_k 1.32 - delta_h -0 kJ + log_k 1.32 + delta_h -0 kJ Fe2(SeO3)3:2H2O - Fe2(SeO3)3:2H2O + 3H+ = 3HSeO3- + 2Fe+3 + 2H2O - log_k -20.6262 - delta_h -0 kJ + Fe2(SeO3)3:2H2O + 3 H+ = 3 HSeO3- + 2 Fe+3 + 2 H2O + log_k -20.6262 + delta_h -0 kJ Fe2(OH)4SeO3 - Fe2(OH)4SeO3 + 5H+ = HSeO3- + 2Fe+3 + 4H2O - log_k 1.5539 - delta_h -0 kJ + Fe2(OH)4SeO3 + 5 H+ = HSeO3- + 2 Fe+3 + 4 H2O + log_k 1.5539 + delta_h -0 kJ MnSeO3 MnSeO3 + H+ = Mn+2 + HSeO3- - log_k 1.13 - delta_h -0 kJ + log_k 1.13 + delta_h -0 kJ MnSeO3:2H2O - MnSeO3:2H2O + H+ = HSeO3- + Mn+2 + 2H2O - log_k 0.9822 - delta_h 8.4935 kJ + MnSeO3:2H2O + H+ = HSeO3- + Mn+2 + 2 H2O + log_k 0.9822 + delta_h 8.4935 kJ MgSeO3:6H2O - MgSeO3:6H2O + H+ = Mg+2 + HSeO3- + 6H2O - log_k 3.0554 - delta_h 5.23 kJ + MgSeO3:6H2O + H+ = Mg+2 + HSeO3- + 6 H2O + log_k 3.0554 + delta_h 5.23 kJ CaSeO3:2H2O - CaSeO3:2H2O + H+ = HSeO3- + Ca+2 + 2H2O - log_k 2.8139 - delta_h -19.4556 kJ + CaSeO3:2H2O + H+ = HSeO3- + Ca+2 + 2 H2O + log_k 2.8139 + delta_h -19.4556 kJ SrSeO3 SrSeO3 + H+ = Sr+2 + HSeO3- - log_k 2.3 - delta_h -0 kJ + log_k 2.3 + delta_h -0 kJ BaSeO3 BaSeO3 + H+ = Ba+2 + HSeO3- - log_k 1.83 - delta_h 11.98 kJ + log_k 1.83 + delta_h 11.98 kJ Na2SeO3:5H2O - Na2SeO3:5H2O + H+ = 2Na+ + HSeO3- + 5H2O - log_k 10.3 - delta_h -0 kJ + Na2SeO3:5H2O + H+ = 2 Na+ + HSeO3- + 5 H2O + log_k 10.3 + delta_h -0 kJ PbSeO4 PbSeO4 = Pb+2 + SeO4-2 - log_k -6.84 - delta_h 15 kJ + log_k -6.84 + delta_h 15 kJ Tl2SeO4 - Tl2SeO4 = 2Tl+ + SeO4-2 - log_k -4.1 - delta_h 43 kJ + Tl2SeO4 = 2 Tl+ + SeO4-2 + log_k -4.1 + delta_h 43 kJ ZnSeO4:6H2O - ZnSeO4:6H2O = Zn+2 + SeO4-2 + 6H2O - log_k -1.52 - delta_h -0 kJ + ZnSeO4:6H2O = Zn+2 + SeO4-2 + 6 H2O + log_k -1.52 + delta_h -0 kJ CdSeO4:2H2O - CdSeO4:2H2O = Cd+2 + SeO4-2 + 2H2O - log_k -1.85 - delta_h -0 kJ + CdSeO4:2H2O = Cd+2 + SeO4-2 + 2 H2O + log_k -1.85 + delta_h -0 kJ Ag2SeO4 - Ag2SeO4 = 2Ag+ + SeO4-2 - log_k -8.91 - delta_h -43.5 kJ + Ag2SeO4 = 2 Ag+ + SeO4-2 + log_k -8.91 + delta_h -43.5 kJ CuSeO4:5H2O - CuSeO4:5H2O = Cu+2 + SeO4-2 + 5H2O - log_k -2.44 - delta_h -0 kJ + CuSeO4:5H2O = Cu+2 + SeO4-2 + 5 H2O + log_k -2.44 + delta_h -0 kJ NiSeO4:6H2O - NiSeO4:6H2O = Ni+2 + SeO4-2 + 6H2O - log_k -1.52 - delta_h -0 kJ + NiSeO4:6H2O = Ni+2 + SeO4-2 + 6 H2O + log_k -1.52 + delta_h -0 kJ CoSeO4:6H2O - CoSeO4:6H2O = Co+2 + SeO4-2 + 6H2O - log_k -1.53 - delta_h -0 kJ + CoSeO4:6H2O = Co+2 + SeO4-2 + 6 H2O + log_k -1.53 + delta_h -0 kJ MnSeO4:5H2O - MnSeO4:5H2O = Mn+2 + SeO4-2 + 5H2O - log_k -2.05 - delta_h -0 kJ + MnSeO4:5H2O = Mn+2 + SeO4-2 + 5 H2O + log_k -2.05 + delta_h -0 kJ UO2SeO4:4H2O - UO2SeO4:4H2O = UO2+2 + SeO4-2 + 4H2O - log_k -2.25 - delta_h -0 kJ + UO2SeO4:4H2O = UO2+2 + SeO4-2 + 4 H2O + log_k -2.25 + delta_h -0 kJ MgSeO4:6H2O - MgSeO4:6H2O = Mg+2 + SeO4-2 + 6H2O - log_k -1.2 - delta_h -0 kJ + MgSeO4:6H2O = Mg+2 + SeO4-2 + 6 H2O + log_k -1.2 + delta_h -0 kJ CaSeO4:2H2O - CaSeO4:2H2O = Ca+2 + SeO4-2 + 2H2O - log_k -3.02 - delta_h -8.3 kJ + CaSeO4:2H2O = Ca+2 + SeO4-2 + 2 H2O + log_k -3.02 + delta_h -8.3 kJ SrSeO4 SrSeO4 = Sr+2 + SeO4-2 - log_k -4.4 - delta_h 0.4 kJ + log_k -4.4 + delta_h 0.4 kJ BaSeO4 BaSeO4 = Ba+2 + SeO4-2 - log_k -7.46 - delta_h 22 kJ + log_k -7.46 + delta_h 22 kJ BeSeO4:4H2O - BeSeO4:4H2O = Be+2 + SeO4-2 + 4H2O - log_k -2.94 - delta_h -0 kJ + BeSeO4:4H2O = Be+2 + SeO4-2 + 4 H2O + log_k -2.94 + delta_h -0 kJ Na2SeO4 - Na2SeO4 = 2Na+ + SeO4-2 - log_k 1.28 - delta_h -0 kJ + Na2SeO4 = 2 Na+ + SeO4-2 + log_k 1.28 + delta_h -0 kJ K2SeO4 - K2SeO4 = 2K+ + SeO4-2 - log_k -0.73 - delta_h -0 kJ + K2SeO4 = 2 K+ + SeO4-2 + log_k -0.73 + delta_h -0 kJ (NH4)2SeO4 - (NH4)2SeO4 = 2NH4+ + SeO4-2 - log_k 0.45 - delta_h -0 kJ + (NH4)2SeO4 = 2 NH4+ + SeO4-2 + log_k 0.45 + delta_h -0 kJ H2MoO4 - H2MoO4 = MoO4-2 + 2H+ - log_k -12.8765 - delta_h 49 kJ + H2MoO4 = MoO4-2 + 2 H+ + log_k -12.8765 + delta_h 49 kJ PbMoO4 PbMoO4 = Pb+2 + MoO4-2 - log_k -15.62 - delta_h 53.93 kJ + log_k -15.62 + delta_h 53.93 kJ Al2(MoO4)3 - Al2(MoO4)3 = 3MoO4-2 + 2Al+3 - log_k 2.3675 - delta_h -260.8 kJ + Al2(MoO4)3 = 3 MoO4-2 + 2 Al+3 + log_k 2.3675 + delta_h -260.8 kJ Tl2MoO4 - Tl2MoO4 = MoO4-2 + 2Tl+ - log_k -7.9887 - delta_h -0 kJ + Tl2MoO4 = MoO4-2 + 2 Tl+ + log_k -7.9887 + delta_h -0 kJ ZnMoO4 ZnMoO4 = MoO4-2 + Zn+2 - log_k -10.1254 - delta_h -10.6901 kJ + log_k -10.1254 + delta_h -10.6901 kJ CdMoO4 CdMoO4 = MoO4-2 + Cd+2 - log_k -14.1497 - delta_h 19.48 kJ + log_k -14.1497 + delta_h 19.48 kJ CuMoO4 CuMoO4 = MoO4-2 + Cu+2 - log_k -13.0762 - delta_h 12.2 kJ + log_k -13.0762 + delta_h 12.2 kJ Ag2MoO4 - Ag2MoO4 = 2Ag+ + MoO4-2 - log_k -11.55 - delta_h 52.7 kJ + Ag2MoO4 = 2 Ag+ + MoO4-2 + log_k -11.55 + delta_h 52.7 kJ NiMoO4 NiMoO4 = MoO4-2 + Ni+2 - log_k -11.1421 - delta_h 1.3 kJ + log_k -11.1421 + delta_h 1.3 kJ CoMoO4 CoMoO4 = MoO4-2 + Co+2 - log_k -7.7609 - delta_h -23.3999 kJ + log_k -7.7609 + delta_h -23.3999 kJ FeMoO4 FeMoO4 = MoO4-2 + Fe+2 - log_k -10.091 - delta_h -11.1 kJ + log_k -10.091 + delta_h -11.1 kJ BeMoO4 BeMoO4 = MoO4-2 + Be+2 - log_k -1.7817 - delta_h -56.4 kJ + log_k -1.7817 + delta_h -56.4 kJ MgMoO4 MgMoO4 = Mg+2 + MoO4-2 - log_k -1.85 - delta_h -0 kJ + log_k -1.85 + delta_h -0 kJ CaMoO4 CaMoO4 = Ca+2 + MoO4-2 - log_k -7.95 - delta_h -2 kJ + log_k -7.95 + delta_h -2 kJ BaMoO4 BaMoO4 = MoO4-2 + Ba+2 - log_k -6.9603 - delta_h 10.96 kJ + log_k -6.9603 + delta_h 10.96 kJ Li2MoO4 - Li2MoO4 = MoO4-2 + 2Li+ - log_k 2.4416 - delta_h -33.9399 kJ + Li2MoO4 = MoO4-2 + 2 Li+ + log_k 2.4416 + delta_h -33.9399 kJ Na2MoO4 - Na2MoO4 = MoO4-2 + 2Na+ - log_k 1.4901 - delta_h -9.98 kJ + Na2MoO4 = MoO4-2 + 2 Na+ + log_k 1.4901 + delta_h -9.98 kJ Na2MoO4:2H2O - Na2MoO4:2H2O = MoO4-2 + 2Na+ + 2H2O - log_k 1.224 - delta_h -0 kJ + Na2MoO4:2H2O = MoO4-2 + 2 Na+ + 2 H2O + log_k 1.224 + delta_h -0 kJ Na2Mo2O7 - Na2Mo2O7 + H2O = 2MoO4-2 + 2Na+ + 2H+ - log_k -16.5966 - delta_h 56.2502 kJ + Na2Mo2O7 + H2O = 2 MoO4-2 + 2 Na+ + 2 H+ + log_k -16.5966 + delta_h 56.2502 kJ K2MoO4 - K2MoO4 = MoO4-2 + 2K+ - log_k 3.2619 - delta_h -3.38 kJ + K2MoO4 = MoO4-2 + 2 K+ + log_k 3.2619 + delta_h -3.38 kJ PbHPO4 PbHPO4 = Pb+2 + H+ + PO4-3 - log_k -23.805 - delta_h -0 kJ + log_k -23.805 + delta_h -0 kJ Pb3(PO4)2 - Pb3(PO4)2 = 3Pb+2 + 2PO4-3 - log_k -43.53 - delta_h -0 kJ + Pb3(PO4)2 = 3 Pb+2 + 2 PO4-3 + log_k -43.53 + delta_h -0 kJ Pyromorphite - Pb5(PO4)3Cl = 5Pb+2 + 3PO4-3 + Cl- - log_k -84.43 - delta_h -0 kJ + Pb5(PO4)3Cl = 5 Pb+2 + 3 PO4-3 + Cl- + log_k -84.43 + delta_h -0 kJ Hydroxylpyromorphite - Pb5(PO4)3OH + H+ = 5Pb+2 + 3PO4-3 + H2O - log_k -62.79 - delta_h -0 kJ + Pb5(PO4)3OH + H+ = 5 Pb+2 + 3 PO4-3 + H2O + log_k -62.79 + delta_h -0 kJ Plumbgummite - PbAl3(PO4)2(OH)5:H2O + 5H+ = Pb+2 + 3Al+3 + 2PO4-3 + 6H2O - log_k -32.79 - delta_h -0 kJ + PbAl3(PO4)2(OH)5:H2O + 5 H+ = Pb+2 + 3 Al+3 + 2 PO4-3 + 6 H2O + log_k -32.79 + delta_h -0 kJ Hinsdalite - PbAl3PO4SO4(OH)6 + 6H+ = Pb+2 + 3Al+3 + PO4-3 + SO4-2 + 6H2O - log_k -2.5 - delta_h -0 kJ + PbAl3PO4SO4(OH)6 + 6 H+ = Pb+2 + 3 Al+3 + PO4-3 + SO4-2 + 6 H2O + log_k -2.5 + delta_h -0 kJ Tsumebite - Pb2CuPO4(OH)3:3H2O + 3H+ = 2Pb+2 + Cu+2 + PO4-3 + 6H2O - log_k -9.79 - delta_h -0 kJ + Pb2CuPO4(OH)3:3H2O + 3 H+ = 2 Pb+2 + Cu+2 + PO4-3 + 6 H2O + log_k -9.79 + delta_h -0 kJ Zn3(PO4)2:4H2O - Zn3(PO4)2:4H2O = 3Zn+2 + 2PO4-3 + 4H2O - log_k -35.42 - delta_h -0 kJ + Zn3(PO4)2:4H2O = 3 Zn+2 + 2 PO4-3 + 4 H2O + log_k -35.42 + delta_h -0 kJ Cd3(PO4)2 - Cd3(PO4)2 = 3Cd+2 + 2PO4-3 - log_k -32.6 - delta_h -0 kJ + Cd3(PO4)2 = 3 Cd+2 + 2 PO4-3 + log_k -32.6 + delta_h -0 kJ Hg2HPO4 Hg2HPO4 = Hg2+2 + H+ + PO4-3 - log_k -24.775 - delta_h -0 kJ + log_k -24.775 + delta_h -0 kJ Cu3(PO4)2 - Cu3(PO4)2 = 3Cu+2 + 2PO4-3 - log_k -36.85 - delta_h -0 kJ + Cu3(PO4)2 = 3 Cu+2 + 2 PO4-3 + log_k -36.85 + delta_h -0 kJ Cu3(PO4)2:3H2O - Cu3(PO4)2:3H2O = 3Cu+2 + 2PO4-3 + 3H2O - log_k -35.12 - delta_h -0 kJ + Cu3(PO4)2:3H2O = 3 Cu+2 + 2 PO4-3 + 3 H2O + log_k -35.12 + delta_h -0 kJ Ag3PO4 - Ag3PO4 = 3Ag+ + PO4-3 - log_k -17.59 - delta_h -0 kJ + Ag3PO4 = 3 Ag+ + PO4-3 + log_k -17.59 + delta_h -0 kJ Ni3(PO4)2 - Ni3(PO4)2 = 3Ni+2 + 2PO4-3 - log_k -31.3 - delta_h -0 kJ + Ni3(PO4)2 = 3 Ni+2 + 2 PO4-3 + log_k -31.3 + delta_h -0 kJ CoHPO4 CoHPO4 = Co+2 + PO4-3 + H+ - log_k -19.0607 - delta_h -0 kJ + log_k -19.0607 + delta_h -0 kJ Co3(PO4)2 - Co3(PO4)2 = 3Co+2 + 2PO4-3 - log_k -34.6877 - delta_h -0 kJ + Co3(PO4)2 = 3 Co+2 + 2 PO4-3 + log_k -34.6877 + delta_h -0 kJ Vivianite - Fe3(PO4)2:8H2O = 3Fe+2 + 2PO4-3 + 8H2O - log_k -36 - delta_h -0 kJ + Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O + log_k -36 + delta_h -0 kJ Strengite - FePO4:2H2O = Fe+3 + PO4-3 + 2H2O - log_k -26.4 - delta_h -9.3601 kJ + FePO4:2H2O = Fe+3 + PO4-3 + 2 H2O + log_k -26.4 + delta_h -9.3601 kJ Mn3(PO4)2 - Mn3(PO4)2 = 3Mn+2 + 2PO4-3 - log_k -23.827 - delta_h 8.8701 kJ + Mn3(PO4)2 = 3 Mn+2 + 2 PO4-3 + log_k -23.827 + delta_h 8.8701 kJ MnHPO4 MnHPO4 = Mn+2 + PO4-3 + H+ - log_k -25.4 - delta_h -0 kJ + log_k -25.4 + delta_h -0 kJ (VO)3(PO4)2 - (VO)3(PO4)2 = 3VO+2 + 2PO4-3 - log_k -25.1 - delta_h -0 kJ + (VO)3(PO4)2 = 3 VO+2 + 2 PO4-3 + log_k -25.1 + delta_h -0 kJ Mg3(PO4)2 - Mg3(PO4)2 = 3Mg+2 + 2PO4-3 - log_k -23.28 - delta_h -0 kJ + Mg3(PO4)2 = 3 Mg+2 + 2 PO4-3 + log_k -23.28 + delta_h -0 kJ MgHPO4:3H2O - MgHPO4:3H2O = Mg+2 + H+ + PO4-3 + 3H2O - log_k -18.175 - delta_h -0 kJ + MgHPO4:3H2O = Mg+2 + H+ + PO4-3 + 3 H2O + log_k -18.175 + delta_h -0 kJ FCO3Apatite - Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F- - log_k -114.4 - delta_h 164.808 kJ + Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316 Ca+2 + 0.36 Na+ + 0.144 Mg+2 + 4.8 PO4-3 + 1.2 CO3-2 + 2.48 F- + log_k -114.4 + delta_h 164.808 kJ Hydroxylapatite - Ca5(PO4)3OH + H+ = 5Ca+2 + 3PO4-3 + H2O - log_k -44.333 - delta_h -0 kJ + Ca5(PO4)3OH + H+ = 5 Ca+2 + 3 PO4-3 + H2O + log_k -44.333 + delta_h -0 kJ CaHPO4:2H2O - CaHPO4:2H2O = Ca+2 + H+ + PO4-3 + 2H2O - log_k -18.995 - delta_h 23 kJ + CaHPO4:2H2O = Ca+2 + H+ + PO4-3 + 2 H2O + log_k -18.995 + delta_h 23 kJ CaHPO4 CaHPO4 = Ca+2 + H+ + PO4-3 - log_k -19.275 - delta_h 31 kJ + log_k -19.275 + delta_h 31 kJ Ca3(PO4)2(beta) - Ca3(PO4)2 = 3Ca+2 + 2PO4-3 - log_k -28.92 - delta_h 54 kJ + Ca3(PO4)2 = 3 Ca+2 + 2 PO4-3 + log_k -28.92 + delta_h 54 kJ Ca4H(PO4)3:3H2O - Ca4H(PO4)3:3H2O = 4Ca+2 + H+ + 3PO4-3 + 3H2O - log_k -47.08 - delta_h -0 kJ + Ca4H(PO4)3:3H2O = 4 Ca+2 + H+ + 3 PO4-3 + 3 H2O + log_k -47.08 + delta_h -0 kJ SrHPO4 SrHPO4 = Sr+2 + H+ + PO4-3 - log_k -19.295 - delta_h -0 kJ + log_k -19.295 + delta_h -0 kJ BaHPO4 BaHPO4 = Ba+2 + H+ + PO4-3 - log_k -19.775 - delta_h -0 kJ + log_k -19.775 + delta_h -0 kJ U(HPO4)2:4H2O - U(HPO4)2:4H2O = U+4 + 2PO4-3 + 2H+ + 4H2O - log_k -51.584 - delta_h 16.0666 kJ + U(HPO4)2:4H2O = U+4 + 2 PO4-3 + 2 H+ + 4 H2O + log_k -51.584 + delta_h 16.0666 kJ (UO2)3(PO4)2 - (UO2)3(PO4)2 = 3UO2+2 + 2PO4-3 - log_k -49.4 - delta_h 397.062 kJ + (UO2)3(PO4)2 = 3 UO2+2 + 2 PO4-3 + log_k -49.4 + delta_h 397.062 kJ UO2HPO4 UO2HPO4 = UO2+2 + H+ + PO4-3 - log_k -24.225 - delta_h -0 kJ + log_k -24.225 + delta_h -0 kJ Uramphite - (NH4)2(UO2)2(PO4)2 = 2UO2+2 + 2NH4+ + 2PO4-3 - log_k -51.749 - delta_h 40.5848 kJ + (NH4)2(UO2)2(PO4)2 = 2 UO2+2 + 2 NH4+ + 2 PO4-3 + log_k -51.749 + delta_h 40.5848 kJ Przhevalskite - Pb(UO2)2(PO4)2 = 2UO2+2 + Pb+2 + 2PO4-3 - log_k -44.365 - delta_h -46.024 kJ + Pb(UO2)2(PO4)2 = 2 UO2+2 + Pb+2 + 2 PO4-3 + log_k -44.365 + delta_h -46.024 kJ Torbernite - Cu(UO2)2(PO4)2 = 2UO2+2 + Cu+2 + 2PO4-3 - log_k -45.279 - delta_h -66.5256 kJ + Cu(UO2)2(PO4)2 = 2 UO2+2 + Cu+2 + 2 PO4-3 + log_k -45.279 + delta_h -66.5256 kJ Bassetite - Fe(UO2)2(PO4)2 = 2UO2+2 + Fe+2 + 2PO4-3 - log_k -44.485 - delta_h -83.2616 kJ + Fe(UO2)2(PO4)2 = 2 UO2+2 + Fe+2 + 2 PO4-3 + log_k -44.485 + delta_h -83.2616 kJ Saleeite - Mg(UO2)2(PO4)2 = 2UO2+2 + Mg+2 + 2PO4-3 - log_k -43.646 - delta_h -84.4331 kJ + Mg(UO2)2(PO4)2 = 2 UO2+2 + Mg+2 + 2 PO4-3 + log_k -43.646 + delta_h -84.4331 kJ Ningyoite - CaU(PO4)2:2H2O = U+4 + Ca+2 + 2PO4-3 + 2H2O - log_k -53.906 - delta_h -9.4977 kJ + CaU(PO4)2:2H2O = U+4 + Ca+2 + 2 PO4-3 + 2 H2O + log_k -53.906 + delta_h -9.4977 kJ H-Autunite - H2(UO2)2(PO4)2 = 2UO2+2 + 2H+ + 2PO4-3 - log_k -47.931 - delta_h -15.0624 kJ + H2(UO2)2(PO4)2 = 2 UO2+2 + 2 H+ + 2 PO4-3 + log_k -47.931 + delta_h -15.0624 kJ Autunite - Ca(UO2)2(PO4)2 = 2UO2+2 + Ca+2 + 2PO4-3 - log_k -43.927 - delta_h -59.9986 kJ + Ca(UO2)2(PO4)2 = 2 UO2+2 + Ca+2 + 2 PO4-3 + log_k -43.927 + delta_h -59.9986 kJ Sr-Autunite - Sr(UO2)2(PO4)2 = 2UO2+2 + Sr+2 + 2PO4-3 - log_k -44.457 - delta_h -54.6012 kJ + Sr(UO2)2(PO4)2 = 2 UO2+2 + Sr+2 + 2 PO4-3 + log_k -44.457 + delta_h -54.6012 kJ Na-Autunite - Na2(UO2)2(PO4)2 = 2UO2+2 + 2Na+ + 2PO4-3 - log_k -47.409 - delta_h -1.9246 kJ + Na2(UO2)2(PO4)2 = 2 UO2+2 + 2 Na+ + 2 PO4-3 + log_k -47.409 + delta_h -1.9246 kJ K-Autunite - K2(UO2)2(PO4)2 = 2UO2+2 + 2K+ + 2PO4-3 - log_k -48.244 - delta_h 24.5182 kJ + K2(UO2)2(PO4)2 = 2 UO2+2 + 2 K+ + 2 PO4-3 + log_k -48.244 + delta_h 24.5182 kJ Uranocircite - Ba(UO2)2(PO4)2 = 2UO2+2 + Ba+2 + 2PO4-3 - log_k -44.631 - delta_h -42.2584 kJ + Ba(UO2)2(PO4)2 = 2 UO2+2 + Ba+2 + 2 PO4-3 + log_k -44.631 + delta_h -42.2584 kJ Pb3(AsO4)2 - Pb3(AsO4)2 + 6H+ = 3Pb+2 + 2H3AsO4 - log_k 5.8 - delta_h -0 kJ + Pb3(AsO4)2 + 6 H+ = 3 Pb+2 + 2 H3AsO4 + log_k 5.8 + delta_h -0 kJ AlAsO4:2H2O - AlAsO4:2H2O + 3H+ = Al+3 + H3AsO4 + 2H2O - log_k 4.8 - delta_h -0 kJ + AlAsO4:2H2O + 3 H+ = Al+3 + H3AsO4 + 2 H2O + log_k 4.8 + delta_h -0 kJ Zn3(AsO4)2:2.5H2O - Zn3(AsO4)2:2.5H2O + 6H+ = 3Zn+2 + 2H3AsO4 + 2.5H2O - log_k 13.65 - delta_h -0 kJ + Zn3(AsO4)2:2.5H2O + 6 H+ = 3 Zn+2 + 2 H3AsO4 + 2.5 H2O + log_k 13.65 + delta_h -0 kJ Cu3(AsO4)2:2H2O - Cu3(AsO4)2:2H2O + 6H+ = 3Cu+2 + 2H3AsO4 + 2H2O - log_k 6.1 - delta_h -0 kJ + Cu3(AsO4)2:2H2O + 6 H+ = 3 Cu+2 + 2 H3AsO4 + 2 H2O + log_k 6.1 + delta_h -0 kJ Ag3AsO3 - Ag3AsO3 + 3H+ = 3Ag+ + H3AsO3 - log_k 2.1573 - delta_h -0 kJ + Ag3AsO3 + 3 H+ = 3 Ag+ + H3AsO3 + log_k 2.1573 + delta_h -0 kJ Ag3AsO4 - Ag3AsO4 + 3H+ = 3Ag+ + H3AsO4 - log_k -2.7867 - delta_h -0 kJ + Ag3AsO4 + 3 H+ = 3 Ag+ + H3AsO4 + log_k -2.7867 + delta_h -0 kJ Ni3(AsO4)2:8H2O - Ni3(AsO4)2:8H2O + 6H+ = 3Ni+2 + 2H3AsO4 + 8H2O - log_k 15.7 - delta_h -0 kJ + Ni3(AsO4)2:8H2O + 6 H+ = 3 Ni+2 + 2 H3AsO4 + 8 H2O + log_k 15.7 + delta_h -0 kJ Co3(AsO4)2 - Co3(AsO4)2 + 6H+ = 3Co+2 + 2H3AsO4 - log_k 13.0341 - delta_h -0 kJ + Co3(AsO4)2 + 6 H+ = 3 Co+2 + 2 H3AsO4 + log_k 13.0341 + delta_h -0 kJ FeAsO4:2H2O - FeAsO4:2H2O + 3H+ = Fe+3 + H3AsO4 + 2H2O - log_k 0.4 - delta_h -0 kJ + FeAsO4:2H2O + 3 H+ = Fe+3 + H3AsO4 + 2 H2O + log_k 0.4 + delta_h -0 kJ Mn3(AsO4)2:8H2O - Mn3(AsO4)2:8H2O + 6H+ = 3Mn+2 + 2H3AsO4 + 8H2O - log_k 12.5 - delta_h -0 kJ + Mn3(AsO4)2:8H2O + 6 H+ = 3 Mn+2 + 2 H3AsO4 + 8 H2O + log_k 12.5 + delta_h -0 kJ Ca3(AsO4)2:4H2O - Ca3(AsO4)2:4H2O + 6H+ = 3Ca+2 + 2H3AsO4 + 4H2O - log_k 22.3 - delta_h -0 kJ + Ca3(AsO4)2:4H2O + 6 H+ = 3 Ca+2 + 2 H3AsO4 + 4 H2O + log_k 22.3 + delta_h -0 kJ Ba3(AsO4)2 - Ba3(AsO4)2 + 6H+ = 3Ba+2 + 2H3AsO4 - log_k -8.91 - delta_h 11.0458 kJ + Ba3(AsO4)2 + 6 H+ = 3 Ba+2 + 2 H3AsO4 + log_k -8.91 + delta_h 11.0458 kJ #NH4VO3 # NH4VO3 + 2H+ = 2VO2+ + H2O # log_k 3.8 # delta_h 30 kJ Pb3(VO4)2 - Pb3(VO4)2 + 8H+ = 3Pb+2 + 2VO2+ + 4H2O - log_k 6.14 - delta_h -72.6342 kJ + Pb3(VO4)2 + 8 H+ = 3 Pb+2 + 2 VO2+ + 4 H2O + log_k 6.14 + delta_h -72.6342 kJ Pb2V2O7 - Pb2V2O7 + 6H+ = 2Pb+2 + 2VO2+ + 3H2O - log_k -1.9 - delta_h -26.945 kJ + Pb2V2O7 + 6 H+ = 2 Pb+2 + 2 VO2+ + 3 H2O + log_k -1.9 + delta_h -26.945 kJ AgVO3 - AgVO3 + 2H+ = Ag+ + VO2+ + H2O - log_k 0.77 - delta_h -0 kJ + AgVO3 + 2 H+ = Ag+ + VO2+ + H2O + log_k 0.77 + delta_h -0 kJ Ag2HVO4 - Ag2HVO4 + 3H+ = 2Ag+ + VO2+ + 2H2O - log_k 1.48 - delta_h -0 kJ + Ag2HVO4 + 3 H+ = 2 Ag+ + VO2+ + 2 H2O + log_k 1.48 + delta_h -0 kJ Ag3H2VO5 - Ag3H2VO5 + 4H+ = 3Ag+ + VO2+ + 3H2O - log_k 5.18 - delta_h -0 kJ + Ag3H2VO5 + 4 H+ = 3 Ag+ + VO2+ + 3 H2O + log_k 5.18 + delta_h -0 kJ Fe(VO3)2 - Fe(VO3)2 + 4H+ = Fe+2 + 2VO2+ + 2H2O - log_k -3.72 - delta_h -61.6722 kJ + Fe(VO3)2 + 4 H+ = Fe+2 + 2 VO2+ + 2 H2O + log_k -3.72 + delta_h -61.6722 kJ Mn(VO3)2 - Mn(VO3)2 + 4H+ = Mn+2 + 2VO2+ + 2H2O - log_k 4.9 - delta_h -92.4664 kJ + Mn(VO3)2 + 4 H+ = Mn+2 + 2 VO2+ + 2 H2O + log_k 4.9 + delta_h -92.4664 kJ Mg(VO3)2 - Mg(VO3)2 + 4H+ = Mg+2 + 2VO2+ + 2H2O - log_k 11.28 - delta_h -136.649 kJ + Mg(VO3)2 + 4 H+ = Mg+2 + 2 VO2+ + 2 H2O + log_k 11.28 + delta_h -136.649 kJ Mg2V2O7 - Mg2V2O7 + 6H+ = 2Mg+2 + 2VO2+ + 3H2O - log_k 26.36 - delta_h -255.224 kJ + Mg2V2O7 + 6 H+ = 2 Mg+2 + 2 VO2+ + 3 H2O + log_k 26.36 + delta_h -255.224 kJ Carnotite - KUO2VO4 + 4H+ = K+ + UO2+2 + VO2+ + 2H2O - log_k 0.23 - delta_h -36.4008 kJ + KUO2VO4 + 4 H+ = K+ + UO2+2 + VO2+ + 2 H2O + log_k 0.23 + delta_h -36.4008 kJ Tyuyamunite - Ca(UO2)2(VO4)2 + 8H+ = Ca+2 + 2UO2+2 + 2VO2+ + 4H2O - log_k 4.08 - delta_h -153.134 kJ + Ca(UO2)2(VO4)2 + 8 H+ = Ca+2 + 2 UO2+2 + 2 VO2+ + 4 H2O + log_k 4.08 + delta_h -153.134 kJ Ca(VO3)2 - Ca(VO3)2 + 4H+ = Ca+2 + 2VO2+ + 2H2O - log_k 5.66 - delta_h -84.7678 kJ + Ca(VO3)2 + 4 H+ = Ca+2 + 2 VO2+ + 2 H2O + log_k 5.66 + delta_h -84.7678 kJ Ca3(VO4)2 - Ca3(VO4)2 + 8H+ = 3Ca+2 + 2VO2+ + 4H2O - log_k 38.96 - delta_h -293.466 kJ + Ca3(VO4)2 + 8 H+ = 3 Ca+2 + 2 VO2+ + 4 H2O + log_k 38.96 + delta_h -293.466 kJ Ca2V2O7 - Ca2V2O7 + 6H+ = 2Ca+2 + 2VO2+ + 3H2O - log_k 17.5 - delta_h -159.494 kJ + Ca2V2O7 + 6 H+ = 2 Ca+2 + 2 VO2+ + 3 H2O + log_k 17.5 + delta_h -159.494 kJ Ca3(VO4)2:4H2O - Ca3(VO4)2:4H2O + 8H+ = 3Ca+2 + 2VO2+ + 8H2O - log_k 39.86 - delta_h -0 kJ + Ca3(VO4)2:4H2O + 8 H+ = 3 Ca+2 + 2 VO2+ + 8 H2O + log_k 39.86 + delta_h -0 kJ Ca2V2O7:2H2O - Ca2V2O7:2H2O + 6H+ = 2Ca+2 + 2VO2+ + 5H2O - log_k 21.552 - delta_h -0 kJ + Ca2V2O7:2H2O + 6 H+ = 2 Ca+2 + 2 VO2+ + 5 H2O + log_k 21.552 + delta_h -0 kJ Ba3(VO4)2:4H2O - Ba3(VO4)2:4H2O + 8H+ = 3Ba+2 + 2VO2+ + 8H2O - log_k 32.94 - delta_h -0 kJ + Ba3(VO4)2:4H2O + 8 H+ = 3 Ba+2 + 2 VO2+ + 8 H2O + log_k 32.94 + delta_h -0 kJ Ba2V2O7:2H2O - Ba2V2O7:2H2O + 6H+ = 2Ba+2 + 2VO2+ + 5H2O - log_k 15.872 - delta_h -0 kJ + Ba2V2O7:2H2O + 6 H+ = 2 Ba+2 + 2 VO2+ + 5 H2O + log_k 15.872 + delta_h -0 kJ NaVO3 - NaVO3 + 2H+ = Na+ + VO2+ + H2O - log_k 3.8582 - delta_h -30.1799 kJ + NaVO3 + 2 H+ = Na+ + VO2+ + H2O + log_k 3.8582 + delta_h -30.1799 kJ Na3VO4 - Na3VO4 + 4H+ = 3Na+ + VO2+ + 2H2O - log_k 36.6812 - delta_h -184.61 kJ + Na3VO4 + 4 H+ = 3 Na+ + VO2+ + 2 H2O + log_k 36.6812 + delta_h -184.61 kJ Na4V2O7 - Na4V2O7 + 6H+ = 4Na+ + 2VO2+ + 3H2O - log_k 37.4 - delta_h -201.083 kJ + Na4V2O7 + 6 H+ = 4 Na+ + 2 VO2+ + 3 H2O + log_k 37.4 + delta_h -201.083 kJ Halloysite - Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O - log_k 9.5749 - delta_h -181.43 kJ + Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O + log_k 9.5749 + delta_h -181.43 kJ Kaolinite - Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O - log_k 7.435 - delta_h -148 kJ + Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O + log_k 7.435 + delta_h -148 kJ Greenalite - Fe3Si2O5(OH)4 + 6H+ = 3Fe+2 + 2H4SiO4 + H2O - log_k 20.81 - delta_h -0 kJ + Fe3Si2O5(OH)4 + 6 H+ = 3 Fe+2 + 2 H4SiO4 + H2O + log_k 20.81 + delta_h -0 kJ Chrysotile - Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + H2O - log_k 32.2 - delta_h -196 kJ + Mg3Si2O5(OH)4 + 6 H+ = 3 Mg+2 + 2 H4SiO4 + H2O + log_k 32.2 + delta_h -196 kJ Sepiolite - Mg2Si3O7.5OH:3H2O + 4H+ + 0.5H2O = 2Mg+2 + 3H4SiO4 - log_k 15.76 - delta_h -114.089 kJ + Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 + log_k 15.76 + delta_h -114.089 kJ Sepiolite(A) - Mg2Si3O7.5OH:3H2O + 0.5H2O + 4H+ = 2Mg+2 + 3H4SiO4 - log_k 18.78 - delta_h -0 kJ + Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4 + log_k 18.78 + delta_h -0 kJ PHASES O2(g) - O2 + 4H+ + 4e- = 2H2O - log_k 83.0894 - delta_h -571.66 kJ + O2 + 4 H+ + 4 e- = 2 H2O + log_k 83.0894 + delta_h -571.66 kJ CH4(g) - CH4 + 3H2O = CO3-2 + 8e- + 10H+ - log_k -41.0452 - delta_h 257.133 kJ + CH4 + 3 H2O = CO3-2 + 8 e- + 10 H+ + log_k -41.0452 + delta_h 257.133 kJ CO2(g) - CO2 + H2O = 2H+ + CO3-2 - log_k -18.147 - delta_h 4.06 kJ + CO2 + H2O = 2 H+ + CO3-2 + log_k -18.147 + delta_h 4.06 kJ H2S(g) H2S = H+ + HS- - log_k -8.01 - delta_h -0 kJ + log_k -8.01 + delta_h -0 kJ H2Se(g) H2Se = HSe- + H+ - log_k -4.96 - delta_h -15.3 kJ + log_k -4.96 + delta_h -15.3 kJ Hg(g) - Hg = 0.5Hg2+2 + e- - log_k -7.8733 - delta_h 22.055 kJ + Hg = 0.5 Hg2+2 + e- + log_k -7.8733 + delta_h 22.055 kJ Hg2(g) - Hg2 = Hg2+2 + 2e- - log_k -14.9554 - delta_h 58.07 kJ + Hg2 = Hg2+2 + 2 e- + log_k -14.9554 + delta_h 58.07 kJ Hg(CH3)2(g) - Hg(CH3)2 + 8H2O = Hg(OH)2 + 2CO3-2 + 16e- + 20H+ - log_k -73.7066 - delta_h 481.99 kJ + Hg(CH3)2 + 8 H2O = Hg(OH)2 + 2 CO3-2 + 16 e- + 20 H+ + log_k -73.7066 + delta_h 481.99 kJ HgF(g) - HgF = 0.5Hg2+2 + F- - log_k 32.6756 - delta_h -254.844 kJ + HgF = 0.5 Hg2+2 + F- + log_k 32.6756 + delta_h -254.844 kJ HgF2(g) - HgF2 + 2H2O = Hg(OH)2 + 2F- + 2H+ - log_k 12.5652 - delta_h -165.186 kJ + HgF2 + 2 H2O = Hg(OH)2 + 2 F- + 2 H+ + log_k 12.5652 + delta_h -165.186 kJ HgCl(g) - HgCl = 0.5Hg2+2 + Cl- - log_k 19.4966 - delta_h -162.095 kJ + HgCl = 0.5 Hg2+2 + Cl- + log_k 19.4966 + delta_h -162.095 kJ HgBr(g) - HgBr = 0.5Hg2+2 + Br- - log_k 16.7566 - delta_h -142.157 kJ + HgBr = 0.5 Hg2+2 + Br- + log_k 16.7566 + delta_h -142.157 kJ HgBr2(g) - HgBr2 + 2H2O = Hg(OH)2 + 2Br- + 2H+ - log_k -18.3881 - delta_h 54.494 kJ + HgBr2 + 2 H2O = Hg(OH)2 + 2 Br- + 2 H+ + log_k -18.3881 + delta_h 54.494 kJ HgI(g) - HgI = 0.5Hg2+2 + I- - log_k 11.3322 - delta_h -106.815 kJ + HgI = 0.5 Hg2+2 + I- + log_k 11.3322 + delta_h -106.815 kJ HgI2(g) - HgI2 + 2H2O = Hg(OH)2 + 2I- + 2H+ - log_k -27.2259 - delta_h 114.429 kJ + HgI2 + 2 H2O = Hg(OH)2 + 2 I- + 2 H+ + log_k -27.2259 + delta_h 114.429 kJ SURFACE_MASTER_SPECIES - Hfo_s Hfo_sOH - Hfo_w Hfo_wOH + Hfo_s Hfo_sOH + Hfo_w Hfo_wOH SURFACE_SPECIES -Hfo_wOH = Hfo_wOH - log_k 0.0 -Hfo_sOH = Hfo_sOH - log_k 0.0 +Hfo_wOH = Hfo_wOH + log_k 0 +Hfo_sOH = Hfo_sOH + log_k 0 Hfo_sOH + H+ = Hfo_sOH2+ - log_k 7.29 - delta_h 0 kJ + log_k 7.29 + delta_h 0 kJ # Id: 8113302 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH = Hfo_sO- + H+ - log_k -8.93 - delta_h 0 kJ + log_k -8.93 + delta_h 0 kJ # Id: 8113301 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + H+ = Hfo_wOH2+ - log_k 7.29 - delta_h 0 kJ + log_k 7.29 + delta_h 0 kJ # Id: 8123302 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH = Hfo_wO- + H+ - log_k -8.93 - delta_h 0 kJ + log_k -8.93 + delta_h 0 kJ # Id: 8123301 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Ba+2 = Hfo_sOHBa+2 - log_k 5.46 - delta_h 0 kJ + log_k 5.46 + delta_h 0 kJ # Id: 8111000 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+ - log_k -7.2 - delta_h 0 kJ + log_k -7.2 + delta_h 0 kJ # Id: 8121000 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Ca+2 = Hfo_sOHCa+2 - log_k 4.97 - delta_h 0 kJ + log_k 4.97 + delta_h 0 kJ # Id: 8111500 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ - log_k -5.85 - delta_h 0 kJ + log_k -5.85 + delta_h 0 kJ # Id: 8121500 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Mg+2 = Hfo_wOMg+ + H+ - log_k -4.6 - delta_h 0 kJ + log_k -4.6 + delta_h 0 kJ # Id: 8124600 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Ag+ = Hfo_sOAg + H+ - log_k -1.72 - delta_h 0 kJ + log_k -1.72 + delta_h 0 kJ # Id: 8110200 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Ag+ = Hfo_wOAg + H+ - log_k -5.3 - delta_h 0 kJ + log_k -5.3 + delta_h 0 kJ # Id: 8120200 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Ni+2 = Hfo_sONi+ + H+ - log_k 0.37 - delta_h 0 kJ + log_k 0.37 + delta_h 0 kJ # Id: 8115400 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Ni+2 = Hfo_wONi+ + H+ - log_k -2.5 - delta_h 0 kJ + log_k -2.5 + delta_h 0 kJ # Id: 8125400 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+ - log_k 0.47 - delta_h 0 kJ + log_k 0.47 + delta_h 0 kJ # Id: 8111600 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+ - log_k -2.9 - delta_h 0 kJ + log_k -2.9 + delta_h 0 kJ # Id: 8121600 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Co+2 = Hfo_sOCo+ + H+ - log_k -0.46 - delta_h 0 kJ + log_k -0.46 + delta_h 0 kJ # Id: 8112000 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Co+2 = Hfo_wOCo+ + H+ - log_k -3.01 - delta_h 0 kJ + log_k -3.01 + delta_h 0 kJ # Id: 8122000 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+ - log_k 0.99 - delta_h 0 kJ + log_k 0.99 + delta_h 0 kJ # Id: 8119500 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+ - log_k -1.99 - delta_h 0 kJ + log_k -1.99 + delta_h 0 kJ # Id: 8129500 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+ - log_k 2.89 - delta_h 0 kJ + log_k 2.89 + delta_h 0 kJ # Id: 8112310 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+ - log_k 0.6 - delta_h 0 kJ + log_k 0.6 + delta_h 0 kJ # Id: 8123100 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+ - log_k 4.65 - delta_h 0 kJ + log_k 4.65 + delta_h 0 kJ # Id: 8116000 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+ - log_k 0.3 - delta_h 0 kJ + log_k 0.3 + delta_h 0 kJ # Id: 8126000 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Be+2 = Hfo_sOBe+ + H+ - log_k 5.7 - delta_h 0 kJ + log_k 5.7 + delta_h 0 kJ # Id: 8111100 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Be+2 = Hfo_wOBe+ + H+ - log_k 3.3 - delta_h 0 kJ + log_k 3.3 + delta_h 0 kJ # Id: 8121100 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_sOH + Hg(OH)2 + H+ = Hfo_sOHg+ + 2H2O - log_k 13.95 - delta_h 0 kJ +Hfo_sOH + Hg(OH)2 + H+ = Hfo_sOHg+ + 2 H2O + log_k 13.95 + delta_h 0 kJ # Id: 8113610 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_wOH + Hg(OH)2 + H+ = Hfo_wOHg+ + 2H2O - log_k 12.64 - delta_h 0 kJ +Hfo_wOH + Hg(OH)2 + H+ = Hfo_wOHg+ + 2 H2O + log_k 12.64 + delta_h 0 kJ # Id: 8123610 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_sOH + Sn(OH)2 + H+ = Hfo_sOSn+ + 2H2O - log_k 15.1 - delta_h 0 kJ +Hfo_sOH + Sn(OH)2 + H+ = Hfo_sOSn+ + 2 H2O + log_k 15.1 + delta_h 0 kJ # Id: 8117900 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_wOH + Sn(OH)2 + H+ = Hfo_wOSn+ + 2H2O - log_k 13 - delta_h 0 kJ +Hfo_wOH + Sn(OH)2 + H+ = Hfo_wOSn+ + 2 H2O + log_k 13 + delta_h 0 kJ # Id: 8127900 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Cr(OH)2+ = Hfo_sOCrOH+ + H2O - log_k 11.63 - delta_h 0 kJ + log_k 11.63 + delta_h 0 kJ # Id: 8112110 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + H3AsO3 = Hfo_sH2AsO3 + H2O - log_k 5.41 - delta_h 0 kJ + log_k 5.41 + delta_h 0 kJ # Id: 8110600 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + H3AsO3 = Hfo_wH2AsO3 + H2O - log_k 5.41 - delta_h 0 kJ + log_k 5.41 + delta_h 0 kJ # Id: 8120600 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + H3BO3 = Hfo_sH2BO3 + H2O - log_k 0.62 - delta_h 0 kJ + log_k 0.62 + delta_h 0 kJ # Id: 8110900 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O - log_k 0.62 - delta_h 0 kJ + log_k 0.62 + delta_h 0 kJ # Id: 8120900 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_sOH + PO4-3 + 3H+ = Hfo_sH2PO4 + H2O - log_k 31.29 - delta_h 0 kJ +Hfo_sOH + PO4-3 + 3 H+ = Hfo_sH2PO4 + H2O + log_k 31.29 + delta_h 0 kJ # Id: 8115800 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O - log_k 31.29 - delta_h 0 kJ +Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O + log_k 31.29 + delta_h 0 kJ # Id: 8125800 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_sOH + PO4-3 + 2H+ = Hfo_sHPO4- + H2O - log_k 25.39 - delta_h 0 kJ +Hfo_sOH + PO4-3 + 2 H+ = Hfo_sHPO4- + H2O + log_k 25.39 + delta_h 0 kJ # Id: 8115801 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O - log_k 25.39 - delta_h 0 kJ +Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O + log_k 25.39 + delta_h 0 kJ # Id: 8125801 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + PO4-3 + H+ = Hfo_sPO4-2 + H2O - log_k 17.72 - delta_h 0 kJ + log_k 17.72 + delta_h 0 kJ # Id: 8115802 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O - log_k 17.72 - delta_h 0 kJ + log_k 17.72 + delta_h 0 kJ # Id: 8125802 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + H3AsO4 = Hfo_sH2AsO4 + H2O - log_k 8.61 - delta_h 0 kJ + log_k 8.61 + delta_h 0 kJ # Id: 8110610 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + H3AsO4 = Hfo_wH2AsO4 + H2O - log_k 8.61 - delta_h 0 kJ + log_k 8.61 + delta_h 0 kJ # Id: 8120610 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + H3AsO4 = Hfo_sHAsO4- + H2O + H+ - log_k 2.81 - delta_h 0 kJ + log_k 2.81 + delta_h 0 kJ # Id: 8110611 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + H3AsO4 = Hfo_wHAsO4- + H2O + H+ - log_k 2.81 - delta_h 0 kJ + log_k 2.81 + delta_h 0 kJ # Id: 8120611 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_sOH + H3AsO4 = Hfo_sOHAsO4-3 + 3H+ - log_k -10.12 - delta_h 0 kJ +Hfo_sOH + H3AsO4 = Hfo_sOHAsO4-3 + 3 H+ + log_k -10.12 + delta_h 0 kJ # Id: 8110613 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_wOH + H3AsO4 = Hfo_wOHAsO4-3 + 3H+ - log_k -10.12 - delta_h 0 kJ +Hfo_wOH + H3AsO4 = Hfo_wOHAsO4-3 + 3 H+ + log_k -10.12 + delta_h 0 kJ # Id: 8120613 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_sOH + VO2+ + 2H2O = Hfo_sOHVO4-3 + 4H+ - log_k -16.63 - delta_h 0 kJ +Hfo_sOH + VO2+ + 2 H2O = Hfo_sOHVO4-3 + 4 H+ + log_k -16.63 + delta_h 0 kJ # Id: 8119031 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_wOH + VO2+ + 2H2O = Hfo_wOHVO4-3 + 4H+ - log_k -16.63 - delta_h 0 kJ +Hfo_wOH + VO2+ + 2 H2O = Hfo_wOHVO4-3 + 4 H+ + log_k -16.63 + delta_h 0 kJ # Id: 8129031 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + SO4-2 + H+ = Hfo_sSO4- + H2O - log_k 7.78 - delta_h 0 kJ + log_k 7.78 + delta_h 0 kJ # Id: 8117320 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O - log_k 7.78 - delta_h 0 kJ + log_k 7.78 + delta_h 0 kJ # Id: 8127320 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + SO4-2 = Hfo_sOHSO4-2 - log_k 0.79 - delta_h 0 kJ + log_k 0.79 + delta_h 0 kJ # Id: 8117321 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 - log_k 0.79 - delta_h 0 kJ + log_k 0.79 + delta_h 0 kJ # Id: 8127321 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + HSeO3- = Hfo_sSeO3- + H2O - log_k 4.29 - delta_h 0 kJ + log_k 4.29 + delta_h 0 kJ # Id: 8117610 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + HSeO3- = Hfo_wSeO3- + H2O - log_k 4.29 - delta_h 0 kJ + log_k 4.29 + delta_h 0 kJ # Id: 8127610 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + HSeO3- = Hfo_sOHSeO3-2 + H+ - log_k -3.23 - delta_h 0 kJ + log_k -3.23 + delta_h 0 kJ # Id: 8117611 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + HSeO3- = Hfo_wOHSeO3-2 + H+ - log_k -3.23 - delta_h 0 kJ + log_k -3.23 + delta_h 0 kJ # Id: 8127611 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + SeO4-2 + H+ = Hfo_sSeO4- + H2O - log_k 7.73 - delta_h 0 kJ + log_k 7.73 + delta_h 0 kJ # Id: 8117620 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + SeO4-2 + H+ = Hfo_wSeO4- + H2O - log_k 7.73 - delta_h 0 kJ + log_k 7.73 + delta_h 0 kJ # Id: 8127620 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + SeO4-2 = Hfo_sOHSeO4-2 - log_k 0.8 - delta_h 0 kJ + log_k 0.8 + delta_h 0 kJ # Id: 8117621 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + SeO4-2 = Hfo_wOHSeO4-2 - log_k 0.8 - delta_h 0 kJ + log_k 0.8 + delta_h 0 kJ # Id: 8127621 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + CrO4-2 + H+ = Hfo_sCrO4- + H2O - log_k 10.85 - delta_h 0 kJ + log_k 10.85 + delta_h 0 kJ # Id: 8112120 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + CrO4-2 + H+ = Hfo_wCrO4- + H2O - log_k 10.85 - delta_h 0 kJ + log_k 10.85 + delta_h 0 kJ # Id: 8122120 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + CrO4-2 = Hfo_sOHCrO4-2 - log_k 3.9 - delta_h 0 kJ + log_k 3.9 + delta_h 0 kJ # Id: 8112121 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + CrO4-2 = Hfo_wOHCrO4-2 - log_k 3.9 - delta_h 0 kJ + log_k 3.9 + delta_h 0 kJ # Id: 8122121 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + MoO4-2 + H+ = Hfo_sMoO4- + H2O - log_k 9.5 - delta_h 0 kJ + log_k 9.5 + delta_h 0 kJ # Id: 8114800 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + MoO4-2 + H+ = Hfo_wMoO4- + H2O - log_k 9.5 - delta_h 0 kJ + log_k 9.5 + delta_h 0 kJ # Id: 8124800 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + MoO4-2 = Hfo_sOHMoO4-2 - log_k 2.4 - delta_h 0 kJ + log_k 2.4 + delta_h 0 kJ # Id: 8114801 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + MoO4-2 = Hfo_wOHMoO4-2 - log_k 2.4 - delta_h 0 kJ + log_k 2.4 + delta_h 0 kJ # Id: 8124801 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_sOH + Sb(OH)6- + H+ = Hfo_sSbO(OH)4 + 2H2O - log_k 8.4 - delta_h 0 kJ +Hfo_sOH + Sb(OH)6- + H+ = Hfo_sSbO(OH)4 + 2 H2O + log_k 8.4 + delta_h 0 kJ # Id: 8117410 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: -Hfo_wOH + Sb(OH)6- + H+ = Hfo_wSbO(OH)4 + 2H2O - log_k 8.4 - delta_h 0 kJ +Hfo_wOH + Sb(OH)6- + H+ = Hfo_wSbO(OH)4 + 2 H2O + log_k 8.4 + delta_h 0 kJ # Id: 8127410 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Sb(OH)6- = Hfo_sOHSbO(OH)4- + H2O - log_k 1.3 - delta_h 0 kJ + log_k 1.3 + delta_h 0 kJ # Id: 8117411 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Sb(OH)6- = Hfo_wOHSbO(OH)4- + H2O - log_k 1.3 - delta_h 0 kJ + log_k 1.3 + delta_h 0 kJ # Id: 8127411 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Cyanide- + H+ = Hfo_sCyanide + H2O - log_k 13 - delta_h 0 kJ + log_k 13 + delta_h 0 kJ # Id: 8111430 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Cyanide- + H+ = Hfo_wCyanide + H2O - log_k 13 - delta_h 0 kJ + log_k 13 + delta_h 0 kJ # Id: 8121430 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_sOH + Cyanide- = Hfo_sOHCyanide- - log_k 5.7 - delta_h 0 kJ + log_k 5.7 + delta_h 0 kJ # Id: 8111431 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: Hfo_wOH + Cyanide- = Hfo_wOHCyanide- - log_k 5.7 - delta_h 0 kJ + log_k 5.7 + delta_h 0 kJ # Id: 8121431 - # log K source: - # Delta H source: + # log K source: + # Delta H source: #T and ionic strength: END diff --git a/database/phreeqc.dat b/database/phreeqc.dat index 6bfc87cd9..5fe91c4a1 100644 --- a/database/phreeqc.dat +++ b/database/phreeqc.dat @@ -1,69 +1,73 @@ +# File 1 = C:\GitPrograms\phreeqc3-1\database\phreeqc.dat, 07/05/2024 14:37, 1961 lines, 56151 bytes, md5=996b3d979d94f4baeb9d27addf2b91a4 +# Created 17 May 2024 14:30:43 +# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "phreeqc.dat" + # PHREEQC.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Based on: # diffusion coefficients and molal volumina of aqueous species, solubility and volume of minerals, and critical temperatures and pressures of gases in Peng-Robinson's EOS. # Details are given at the end of this file. SOLUTION_MASTER_SPECIES # -#element species alk gfw_formula element_gfw +#element species alk gfw_formula element_gfw # -H H+ -1.0 H 1.008 -H(0) H2 0 H -H(1) H+ -1.0 H -E e- 0 0 0 -O H2O 0 O 16.0 -O(0) O2 0 O -O(-2) H2O 0 0 -Ca Ca+2 0 Ca 40.08 -Mg Mg+2 0 Mg 24.312 -Na Na+ 0 Na 22.9898 -K K+ 0 K 39.102 -Fe Fe+2 0 Fe 55.847 -Fe(+2) Fe+2 0 Fe -Fe(+3) Fe+3 -2.0 Fe -Mn Mn+2 0 Mn 54.938 -Mn(+2) Mn+2 0 Mn -Mn(+3) Mn+3 0 Mn -Al Al+3 0 Al 26.9815 -Ba Ba+2 0 Ba 137.34 -Sr Sr+2 0 Sr 87.62 -Si H4SiO4 0 SiO2 28.0843 -Cl Cl- 0 Cl 35.453 -C CO3-2 2.0 HCO3 12.0111 -C(+4) CO3-2 2.0 HCO3 -C(-4) CH4 0 CH4 -Alkalinity CO3-2 1.0 Ca0.5(CO3)0.5 50.05 -S SO4-2 0 SO4 32.064 -S(6) SO4-2 0 SO4 -S(-2) HS- 1.0 S -N NO3- 0 N 14.0067 -N(+5) NO3- 0 N -N(+3) NO2- 0 N -N(0) N2 0 N -N(-3) NH4+ 0 N 14.0067 -#Amm AmmH+ 0 AmmH 17.031 -B H3BO3 0 B 10.81 -P PO4-3 2.0 P 30.9738 -F F- 0 F 18.9984 -Li Li+ 0 Li 6.939 -Br Br- 0 Br 79.904 -Zn Zn+2 0 Zn 65.37 -Cd Cd+2 0 Cd 112.4 -Pb Pb+2 0 Pb 207.19 -Cu Cu+2 0 Cu 63.546 -Cu(+2) Cu+2 0 Cu -Cu(+1) Cu+1 0 Cu -# redox-uncoupled gases -Hdg Hdg 0 Hdg 2.016 # H2 gas -Oxg Oxg 0 Oxg 32 # O2 gas -Mtg Mtg 0 Mtg 16.032 # CH4 gas -Sg H2Sg 0.0 H2Sg 32.064 # H2S gas -Ntg Ntg 0 Ntg 28.0134 # N2 gas +H H+ -1 H 1.008 +H(0) H2 0 H +H(1) H+ -1 H +E e- 1 0 0 +O H2O 0 O 16 +O(0) O2 0 O +O(-2) H2O 0 0 +Ca Ca+2 0 Ca 40.08 +Mg Mg+2 0 Mg 24.312 +Na Na+ 0 Na 22.9898 +K K+ 0 K 39.102 +Fe Fe+2 0 Fe 55.847 +Fe(+2) Fe+2 0 Fe +Fe(+3) Fe+3 -2 Fe +Mn Mn+2 0 Mn 54.938 +Mn(+2) Mn+2 0 Mn +Mn(+3) Mn+3 0 Mn +Al Al+3 0 Al 26.9815 +Ba Ba+2 0 Ba 137.34 +Sr Sr+2 0 Sr 87.62 +Si H4SiO4 0 SiO2 28.0843 +Cl Cl- 0 Cl 35.453 +C CO3-2 2 HCO3 12.0111 +C(+4) CO3-2 2 HCO3 +C(-4) CH4 0 CH4 +Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05 +S SO4-2 0 SO4 32.064 +S(6) SO4-2 0 SO4 +S(-2) HS- 1 S +N NO3- 0 N 14.0067 +N(+5) NO3- 0 N +N(+3) NO2- 0 N +N(0) N2 0 N +N(-3) NH4+ 0 N 14.0067 +#Amm AmmH+ 0 AmmH 17.031 +B H3BO3 0 B 10.81 +P PO4-3 2 P 30.9738 +F F- 0 F 18.9984 +Li Li+ 0 Li 6.939 +Br Br- 0 Br 79.904 +Zn Zn+2 0 Zn 65.37 +Cd Cd+2 0 Cd 112.4 +Pb Pb+2 0 Pb 207.19 +Cu Cu+2 0 Cu 63.546 +Cu(+2) Cu+2 0 Cu +Cu(+1) Cu+1 0 Cu +# redox-uncoupled gases +Hdg Hdg 0 Hdg 2.016 # H2 gas +Oxg Oxg 0 Oxg 32 # O2 gas +Mtg Mtg 0 Mtg 16.032 # CH4 gas +Sg H2Sg 0 H2Sg 32.064 # H2S gas +Ntg Ntg 0 Ntg 28.0134 # N2 gas SOLUTION_SPECIES H+ = H+ - -gamma 9.0 0 - -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570 # for viscosity parameters see ref. 4 - -dw 9.31e-9 838 16.315 0 2.376 24.01 0 + -gamma 9 0 + -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.57 # for viscosity parameters see ref. 4 + -dw 9.31e-9 838 16.315 0 2.376 24.01 0 # Dw(25 C) dw_T a a2 visc a3 a_v_dif # Dw(TK) = 9.31e-9 * exp(838 / TK - 838 / 298.15) * viscos_0_25 / viscos_0_tc # a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif @@ -76,243 +80,243 @@ H+ = H+ # If a_v_dif <> 0, Dw(TK) *= (viscos_0_tc / viscos)^a_v_dif in TRANSPORT. e- = e- H2O = H2O - -dw 2.299e-9 -254 + -dw 2.299e-9 -254 # H2O + 0.01e- = H2O-0.01; -log_k -9 # aids convergence Li+ = Li+ - -gamma 6.0 0 # The apparent volume parameters are defined in ref. 1 & 2 - -Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138 - -viscosity 0.162 -2.45e-2 3.73e-2 9.7e-4 8.1e-4 2.087 # < 10 M LiCl - -dw 1.03e-9 -14 4.03 0.8341 1.679 + -gamma 6 0 # The apparent volume parameters are defined in ref. 1 & 2 + -Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138 + -viscosity 0.162 -2.45e-2 3.73e-2 9.7e-4 8.1e-4 2.087 # < 10 M LiCl + -dw 1.03e-9 -14 4.03 0.8341 1.679 Na+ = Na+ - -gamma 4.0 0.075 - -gamma 4.08 0.082 # halite solubility - -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 + -gamma 4 0.075 + -gamma 4.08 0.082 # halite solubility + -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 # -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.45 # for densities (rho) when I > 3. - -viscosity 0.1387 -8.66e-2 1.25e-2 1.45e-2 7.5e-3 1.062 - -dw 1.33e-9 75 3.627 0 0.7037 + -viscosity 0.1387 -8.66e-2 1.25e-2 1.45e-2 7.5e-3 1.062 + -dw 1.33e-9 75 3.627 0 0.7037 K+ = K+ - -gamma 3.5 0.015 - -Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 - -viscosity 0.116 -0.191 1.52e-2 1.40e-2 2.59e-2 0.9028 - -dw 1.96e-9 254 3.484 0 0.1964 + -gamma 3.5 0.015 + -Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 + -viscosity 0.116 -0.191 1.52e-2 1.4e-2 2.59e-2 0.9028 + -dw 1.96e-9 254 3.484 0 0.1964 Mg+2 = Mg+2 - -gamma 5.5 0.20 - -Vm -1.410 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 - -viscosity 0.426 0 0 1.66e-3 4.32e-3 2.461 - -dw 0.705e-9 -4 5.569 0 1.047 + -gamma 5.5 0.2 + -Vm -1.41 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 + -viscosity 0.426 0 0 1.66e-3 4.32e-3 2.461 + -dw 0.705e-9 -4 5.569 0 1.047 Ca+2 = Ca+2 - -gamma 5.0 0.1650 - -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.60 -57.1 -6.12e-3 1 - -viscosity 0.359 -0.158 4.2e-2 1.5e-3 8.04e-3 2.30 # ref. 4, CaCl2 < 6 M - -dw 0.792e-9 34 5.411 0 1.046 + -gamma 5 0.165 + -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.6 -57.1 -6.12e-3 1 + -viscosity 0.359 -0.158 4.2e-2 1.5e-3 8.04e-3 2.3 # ref. 4, CaCl2 < 6 M + -dw 0.792e-9 34 5.411 0 1.046 Sr+2 = Sr+2 - -gamma 5.260 0.121 - -Vm -1.57e-2 -10.15 10.18 -2.36 0.860 5.26 0.859 -27.0 -4.1e-3 1.97 - -viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876 - -dw 0.794e-9 160 0.680 0.767 1e-9 0.912 + -gamma 5.26 0.121 + -Vm -1.57e-2 -10.15 10.18 -2.36 0.86 5.26 0.859 -27 -4.1e-3 1.97 + -viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876 + -dw 0.794e-9 160 0.68 0.767 1e-9 0.912 Ba+2 = Ba+2 - -gamma 5.0 0 - -gamma 4.0 0.153 # Barite solubility - -Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1 - -viscosity 0.338 -0.227 1.39e-2 3.07e-2 0 0.768 - -dw 0.848e-9 174 10.53 0 3.0 + -gamma 5 0 + -gamma 4 0.153 # Barite solubility + -Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1 + -viscosity 0.338 -0.227 1.39e-2 3.07e-2 0 0.768 + -dw 0.848e-9 174 10.53 0 3 Fe+2 = Fe+2 - -gamma 6.0 0 - -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 - -dw 0.719e-9 + -gamma 6 0 + -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 + -dw 0.719e-9 Mn+2 = Mn+2 - -gamma 6.0 0 - -Vm -1.10 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 - -dw 0.688e-9 + -gamma 6 0 + -Vm -1.1 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 + -dw 0.688e-9 Al+3 = Al+3 - -gamma 9.0 0 - -Vm -2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353. - -dw 0.559e-9 + -gamma 9 0 + -Vm -2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353 + -dw 0.559e-9 H4SiO4 = H4SiO4 - -Vm 10.5 1.7 20 -2.7 0.1291 # supcrt + 2*H2O in a1 - -dw 1.10e-9 + -Vm 10.5 1.7 20 -2.7 0.1291 # supcrt 2*H2O in a1 + -dw 1.1e-9 Cl- = Cl- - -gamma 3.5 0.015 - -gamma 3.63 0.017 # cf. pitzer.dat - -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 - -viscosity 0 0 0 0 0 0 1 # the reference solute - -dw 2.033e-9 216 3.160 0.2071 0.7432 + -gamma 3.5 0.015 + -gamma 3.63 0.017 # cf. pitzer.dat + -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 + -viscosity 0 0 0 0 0 0 1 # the reference solute + -dw 2.033e-9 216 3.16 0.2071 0.7432 CO3-2 = CO3-2 - -gamma 5.4 0 - -Vm 6.09 -2.78 -0.405 -5.30 5.02 0 0.169 101 -1.38e-2 0.9316 - -viscosity -0.5 0.6521 5.44e-3 1.06e-3 -2.18e-2 1.208 -2.147 - -dw 0.955e-9 -103 2.246 7.13e-2 0.3686 + -gamma 5.4 0 + -Vm 6.09 -2.78 -0.405 -5.3 5.02 0 0.169 101 -1.38e-2 0.9316 + -viscosity -0.5 0.6521 5.44e-3 1.06e-3 -2.18e-2 1.208 -2.147 + -dw 0.955e-9 -103 2.246 7.13e-2 0.3686 SO4-2 = SO4-2 - -gamma 5.0 -0.04 - -Vm -7.77 43.17 176 -51.45 3.794 0 42.99 -541 -0.145 0.45 # with analytical_expressions for log K of NaSO4-, KSO4- & MgSO4, 0 - 200 oC - -viscosity -0.30 0.501 2.57e-3 0.195 3.14e-2 2.015 0.605 - -dw 1.07e-9 -114 17 6.02e-2 4.94e-2 + -gamma 5 -0.04 + -Vm -7.77 43.17 176 -51.45 3.794 0 42.99 -541 -0.145 0.45 # with analytical_expressions for log K of NaSO4-, KSO4- & MgSO4, 0 - 200 oC + -viscosity -0.3 0.501 2.57e-3 0.195 3.14e-2 2.015 0.605 + -dw 1.07e-9 -114 17 6.02e-2 4.94e-2 NO3- = NO3- - -gamma 3.0 0 - -Vm 6.32 6.78 0 -3.06 0.346 0 0.93 0 -0.012 1 - -viscosity 8.37e-2 -0.458 1.54e-2 0.340 1.79e-2 5.02e-2 0.7381 - -dw 1.90e-9 104 1.11 + -gamma 3 0 + -Vm 6.32 6.78 0 -3.06 0.346 0 0.93 0 -0.012 1 + -viscosity 8.37e-2 -0.458 1.54e-2 0.34 1.79e-2 5.02e-2 0.7381 + -dw 1.9e-9 104 1.11 #AmmH+ = AmmH+ # -gamma 2.5 0 # -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 # -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 # -dw 1.98e-9 178 3.747 0 1.220 H3BO3 = H3BO3 - -Vm 7.0643 8.8547 3.5844 -3.1451 -0.20 # supcrt - -dw 1.1e-9 + -Vm 7.0643 8.8547 3.5844 -3.1451 -0.2 # supcrt + -dw 1.1e-9 PO4-3 = PO4-3 - -gamma 4.0 0 - -Vm 1.24 -9.07 9.31 -2.4 5.61 0 0 0 -1.41e-2 1 - -dw 0.612e-9 + -gamma 4 0 + -Vm 1.24 -9.07 9.31 -2.4 5.61 0 0 0 -1.41e-2 1 + -dw 0.612e-9 F- = F- - -gamma 3.5 0 - -Vm 0.928 1.36 6.27 -2.84 1.84 0 0 -0.318 0 1 - -viscosity 0 2.85e-2 1.35e-2 6.11e-2 4.38e-3 1.384 0.586 - -dw 1.46e-9 -36 4.352 + -gamma 3.5 0 + -Vm 0.928 1.36 6.27 -2.84 1.84 0 0 -0.318 0 1 + -viscosity 0 2.85e-2 1.35e-2 6.11e-2 4.38e-3 1.384 0.586 + -dw 1.46e-9 -36 4.352 Br- = Br- - -gamma 3.0 0 - -Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1 - -viscosity -1.15e-2 -5.75e-2 5.72e-2 1.46e-2 0.116 0.9295 0.820 - -dw 2.01e-9 139 2.94 0 1.304 + -gamma 3 0 + -Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1 + -viscosity -1.15e-2 -5.75e-2 5.72e-2 1.46e-2 0.116 0.9295 0.82 + -dw 2.01e-9 139 2.94 0 1.304 Zn+2 = Zn+2 - -gamma 5.0 0 - -Vm -1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11 - -dw 0.715e-9 + -gamma 5 0 + -Vm -1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11 + -dw 0.715e-9 Cd+2 = Cd+2 - -Vm 1.63 -10.7 1.01 -2.34 1.47 5 0 0 0 1 - -dw 0.717e-9 + -Vm 1.63 -10.7 1.01 -2.34 1.47 5 0 0 0 1 + -dw 0.717e-9 Pb+2 = Pb+2 - -Vm -0.0051 -7.7939 8.8134 -2.4568 1.0788 4.5 # supcrt - -dw 0.945e-9 + -Vm -0.0051 -7.7939 8.8134 -2.4568 1.0788 4.5 # supcrt + -dw 0.945e-9 Cu+2 = Cu+2 - -gamma 6.0 0 - -Vm -1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1 - -dw 0.733e-9 + -gamma 6 0 + -Vm -1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1 + -dw 0.733e-9 # redox-uncoupled gases Hdg = Hdg # H2 - -Vm 6.52 0.78 0.12 # supcrt - -dw 5.13e-9 + -Vm 6.52 0.78 0.12 # supcrt + -dw 5.13e-9 Oxg = Oxg # O2 - -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt - -dw 2.35e-9 + -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt + -dw 2.35e-9 Mtg = Mtg # CH4 - -Vm 9.01 -1.11 0 -1.85 -1.50 # Hnedkovsky et al., 1996, JCT 28, 125 - -dw 1.85e-9 + -Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 1.85e-9 Ntg = Ntg # N2 - -Vm 7 # Pray et al., 1952, IEC 44. 1146 - -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 + -Vm 7 # Pray et al., 1952, IEC 44 1146 + -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 H2Sg = H2Sg # H2S - -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 - -dw 2.1e-9 + -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 2.1e-9 # aqueous species H2O = OH- + H+ - -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 - -gamma 3.5 0 - -Vm -9.66 28.5 80.0 -22.9 1.89 0 1.09 0 0 1 - -viscosity -1.02e-1 0.189 9.4e-3 -4e-5 0 3.281 -2.053 # < 5 M Li,Na,KOH - -dw 5.27e-9 478 0.8695 + -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 + -gamma 3.5 0 + -Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1 + -viscosity -1.02e-1 0.189 9.4e-3 -4e-5 0 3.281 -2.053 # < 5 M Li,Na,KOH + -dw 5.27e-9 478 0.8695 2 H2O = O2 + 4 H+ + 4 e- - -log_k -86.08 + -log_k -86.08 -delta_h 134.79 kcal - -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt - -dw 2.35e-9 + -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt + -dw 2.35e-9 2 H+ + 2 e- = H2 - -log_k -3.15 + -log_k -3.15 -delta_h -1.759 kcal - -Vm 6.52 0.78 0.12 # supcrt - -dw 5.13e-9 + -Vm 6.52 0.78 0.12 # supcrt + -dw 5.13e-9 H+ + Cl- = HCl - -log_k -0.5 - -analytical_expression 0.334 -2.684e-3 1.015 # from Pitzer.dat, up to 15 M HCl, 0 - 50°C - -gamma 0 0.4256 - -viscosity 0.921 -0.765 8.32e-3 8.25e-4 2.53e-3 4.223 + -log_k -0.5 + -analytical_expression 0.334 -2.684e-3 1.015 # from Pitzer.dat, up to 15 M HCl, 0 - 50°C + -gamma 0 0.4256 + -viscosity 0.921 -0.765 8.32e-3 8.25e-4 2.53e-3 4.223 CO3-2 + H+ = HCO3- - -log_k 10.329; -delta_h -3.561 kcal - -analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9 - -gamma 5.4 0 - -Vm 10.26 -2.92 -12.58 -0.241 2.23 0 -5.49 320 2.83e-2 1.144 - -viscosity -0.6 1.366 -1.216e-2 0e-2 3.139e-2 -1.135 1.253 - -dw 1.18e-9 -190 11.386 + -log_k 10.329; -delta_h -3.561 kcal + -analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9 + -gamma 5.4 0 + -Vm 10.26 -2.92 -12.58 -0.241 2.23 0 -5.49 320 2.83e-2 1.144 + -viscosity -0.6 1.366 -1.216e-2 0e-2 3.139e-2 -1.135 1.253 + -dw 1.18e-9 -190 11.386 CO3-2 + 2 H+ = CO2 + H2O - -log_k 16.681 + -log_k 16.681 -delta_h -5.738 kcal - -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 - -Vm 7.29 0.92 2.07 -1.23 -1.60 # McBride et al. 2015, JCED 60, 171 - -gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431 - -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 -2CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T - -log_k -1.8 - -analytical_expression 8.68 -0.0103 -2190 - -Vm 14.58 1.84 4.14 -2.46 -3.20 - -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 + -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 + -Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171 + -gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431 + -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 +2 CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T + -log_k -1.8 + -analytical_expression 8.68 -0.0103 -2190 + -Vm 14.58 1.84 4.14 -2.46 -3.2 + -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O - -log_k 41.071 + -log_k 41.071 -delta_h -61.039 kcal - -Vm 9.01 -1.11 0 -1.85 -1.50 # Hnedkovsky et al., 1996, JCT 28, 125 - -dw 1.85e-9 + -Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 1.85e-9 SO4-2 + H+ = HSO4- - -log_k 1.988; -delta_h 3.85 kcal - -analytic -56.889 0.006473 2307.9 19.8858 - -Vm 8.2 9.2590 2.1108 -3.1618 1.1748 0 -0.3 15 0 1 - -viscosity 0.5 -6.97e-2 6.07e-2 1e-5 -0.1333 0.4865 0.7987 - -dw 1.22e-9 1000 15.0 2.861 + -log_k 1.988; -delta_h 3.85 kcal + -analytic -56.889 0.006473 2307.9 19.8858 + -Vm 8.2 9.259 2.1108 -3.1618 1.1748 0 -0.3 15 0 1 + -viscosity 0.5 -6.97e-2 6.07e-2 1e-5 -0.1333 0.4865 0.7987 + -dw 1.22e-9 1000 15 2.861 HS- = S-2 + H+ - -log_k -12.918 - -delta_h 12.1 kcal - -gamma 5.0 0 - -dw 0.731e-9 + -log_k -12.918 + -delta_h 12.1 kcal + -gamma 5 0 + -dw 0.731e-9 SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O - -log_k 33.65 - -delta_h -60.140 kcal - -gamma 3.5 0 - -Vm 5.0119 4.9799 3.4765 -2.9849 1.4410 # supcrt - -dw 1.73e-9 + -log_k 33.65 + -delta_h -60.14 kcal + -gamma 3.5 0 + -Vm 5.0119 4.9799 3.4765 -2.9849 1.441 # supcrt + -dw 1.73e-9 HS- + H+ = H2S - -log_k 6.994; -delta_h -5.30 kcal - -analytical -11.17 0.02386 3279.0 - -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 - -dw 2.1e-9 -2H2S = (H2S)2 # activity correction for H2S solubility at high P, T - -analytical_expression 10.227 -0.01384 -2200 - -Vm 36.41 -71.95 0 0 2.58 - -dw 2.1e-9 + -log_k 6.994; -delta_h -5.3 kcal + -analytical -11.17 0.02386 3279 + -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 2.1e-9 +2 H2S = (H2S)2 # activity correction for H2S solubility at high P, T + -analytical_expression 10.227 -0.01384 -2200 + -Vm 36.41 -71.95 0 0 2.58 + -dw 2.1e-9 H2Sg = HSg- + H+ - -log_k -6.994; -delta_h 5.30 kcal - -analytical_expression 11.17 -0.02386 -3279.0 - -gamma 3.5 0 - -Vm 5.0119 4.9799 3.4765 -2.9849 1.4410 # supcrt - -dw 1.73e-9 -2H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T - -analytical_expression 10.227 -0.01384 -2200 - -Vm 36.41 -71.95 0 0 2.58 - -dw 2.1e-9 + -log_k -6.994; -delta_h 5.3 kcal + -analytical_expression 11.17 -0.02386 -3279 + -gamma 3.5 0 + -Vm 5.0119 4.9799 3.4765 -2.9849 1.441 # supcrt + -dw 1.73e-9 +2 H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T + -analytical_expression 10.227 -0.01384 -2200 + -Vm 36.41 -71.95 0 0 2.58 + -dw 2.1e-9 NO3- + 2 H+ + 2 e- = NO2- + H2O - -log_k 28.570 - -delta_h -43.760 kcal - -gamma 3.0 0 - -Vm 5.5864 5.8590 3.4472 -3.0212 1.1847 # supcrt - -dw 1.91e-9 + -log_k 28.57 + -delta_h -43.76 kcal + -gamma 3 0 + -Vm 5.5864 5.859 3.4472 -3.0212 1.1847 # supcrt + -dw 1.91e-9 2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O - -log_k 207.08 - -delta_h -312.130 kcal - -Vm 7 # Pray et al., 1952, IEC 44. 1146 - -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 + -log_k 207.08 + -delta_h -312.13 kcal + -Vm 7 # Pray et al., 1952, IEC 44 1146 + -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O - -log_k 119.077 - -delta_h -187.055 kcal - -gamma 2.5 0 - -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 - -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 - -dw 1.98e-9 178 3.747 0 1.220 + -log_k 119.077 + -delta_h -187.055 kcal + -gamma 2.5 0 + -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 + -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 + -dw 1.98e-9 178 3.747 0 1.22 #AmmH+ = Amm + H+ NH4+ = NH3 + H+ - -log_k -9.252 - -delta_h 12.48 kcal - -analytic 0.6322 -0.001225 -2835.76 - -Vm 6.69 2.8 3.58 -2.88 1.43 - -viscosity 0.08 0 0 7.82e-3 -0.134 -0.986 - -dw 2.28e-9 + -log_k -9.252 + -delta_h 12.48 kcal + -analytic 0.6322 -0.001225 -2835.76 + -Vm 6.69 2.8 3.58 -2.88 1.43 + -viscosity 0.08 0 0 7.82e-3 -0.134 -0.986 + -dw 2.28e-9 #NO3- + 10 H+ + 8 e- = AmmH+ + 3 H2O # -log_k 119.077 # -delta_h -187.055 kcal @@ -320,351 +324,351 @@ NH4+ = NH3 + H+ # -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 #AmmH+ + SO4-2 = AmmHSO4- NH4+ + SO4-2 = NH4SO4- - -gamma 6.54 -0.08 - -log_k 1.106; -delta_h 4.30 kcal - -Vm -3.23 0 -68.42 0 -14.27 0 68.51 0 -0.4099 0.2339 - -viscosity 0.24 0 0 3.3e-3 -0.10 0.528 0.748 - -dw 1.35e-9 500 12.50 3.0 -1 + -gamma 6.54 -0.08 + -log_k 1.106; -delta_h 4.3 kcal + -Vm -3.23 0 -68.42 0 -14.27 0 68.51 0 -0.4099 0.2339 + -viscosity 0.24 0 0 3.3e-3 -0.1 0.528 0.748 + -dw 1.35e-9 500 12.5 3 -1 H3BO3 = H2BO3- + H+ - -log_k -9.24 - -delta_h 3.224 kcal + -log_k -9.24 + -delta_h 3.224 kcal H3BO3 + F- = BF(OH)3- - -log_k -0.4 - -delta_h 1.850 kcal + -log_k -0.4 + -delta_h 1.85 kcal H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O - -log_k 7.63 - -delta_h 1.618 kcal + -log_k 7.63 + -delta_h 1.618 kcal H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O - -log_k 13.67 + -log_k 13.67 -delta_h -1.614 kcal H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O - -log_k 20.28 + -log_k 20.28 -delta_h -1.846 kcal PO4-3 + H+ = HPO4-2 - -log_k 12.346 - -delta_h -3.530 kcal - -gamma 5.0 0 - -dw 0.69e-9 - -Vm 3.52 1.09 8.39 -2.82 3.34 0 0 0 0 1 + -log_k 12.346 + -delta_h -3.53 kcal + -gamma 5 0 + -dw 0.69e-9 + -Vm 3.52 1.09 8.39 -2.82 3.34 0 0 0 0 1 PO4-3 + 2 H+ = H2PO4- - -log_k 19.553 - -delta_h -4.520 kcal - -gamma 5.4 0 - -Vm 5.58 8.06 12.2 -3.11 1.3 0 0 0 1.62e-2 1 - -dw 0.846e-9 -PO4-3 + 3H+ = H3PO4 - log_k 21.721 # log_k and delta_h from minteq.v4.dat, NIST46.3 - delta_h -10.1 kJ - -Vm 7.47 12.4 6.29 -3.29 0 + -log_k 19.553 + -delta_h -4.52 kcal + -gamma 5.4 0 + -Vm 5.58 8.06 12.2 -3.11 1.3 0 0 0 1.62e-2 1 + -dw 0.846e-9 +PO4-3 + 3 H+ = H3PO4 + log_k 21.721 # log_k and delta_h from minteq.v4.dat, NIST46.3 + delta_h -10.1 kJ + -Vm 7.47 12.4 6.29 -3.29 0 H+ + F- = HF - -log_k 3.18 - -delta_h 3.18 kcal - -analytic -2.033 0.012645 429.01 - -Vm 3.4753 .7042 5.4732 -2.8081 -.0007 # supcrt + -log_k 3.18 + -delta_h 3.18 kcal + -analytic -2.033 0.012645 429.01 + -Vm 3.4753 .7042 5.4732 -2.8081 -.0007 # supcrt H+ + 2 F- = HF2- - -log_k 3.76 - -delta_h 4.550 kcal - -Vm 5.2263 4.9797 3.7928 -2.9849 1.2934 # supcrt + -log_k 3.76 + -delta_h 4.55 kcal + -Vm 5.2263 4.9797 3.7928 -2.9849 1.2934 # supcrt Ca+2 + H2O = CaOH+ + H+ - -log_k -12.78 + -log_k -12.78 Ca+2 + CO3-2 = CaCO3 - -log_k 3.224; -delta_h 3.545 kcal - -analytic -1228.732 -0.299440 35512.75 485.818 - -dw 4.46e-10 # complexes: calc'd with the Pikal formula - -Vm -.2430 -8.3748 9.0417 -2.4328 -.0300 # supcrt + -log_k 3.224; -delta_h 3.545 kcal + -analytic -1228.732 -0.29944 35512.75 485.818 + -dw 4.46e-10 # complexes: calc'd with the Pikal formula + -Vm -.243 -8.3748 9.0417 -2.4328 -.03 # supcrt Ca+2 + CO3-2 + H+ = CaHCO3+ - -log_k 10.91; -delta_h 4.38 kcal - -analytic -6.009 3.377e-2 2044 - -gamma 6.0 0 - -Vm 30.19 .010 5.75 -2.78 .308 5.4 - -dw 5.06e-10 + -log_k 10.91; -delta_h 4.38 kcal + -analytic -6.009 3.377e-2 2044 + -gamma 6 0 + -Vm 30.19 .01 5.75 -2.78 .308 5.4 + -dw 5.06e-10 Ca+2 + SO4-2 = CaSO4 - -log_k 2.25 - -delta_h 1.325 kcal + -log_k 2.25 + -delta_h 1.325 kcal -dw 4.71e-10 - -Vm 2.7910 -.9666 6.1300 -2.7390 -.0010 # supcrt + -Vm 2.791 -.9666 6.13 -2.739 -.001 # supcrt Ca+2 + HSO4- = CaHSO4+ - -log_k 1.08 + -log_k 1.08 Ca+2 + PO4-3 = CaPO4- - -log_k 6.459 - -delta_h 3.10 kcal - -gamma 5.4 0.0 + -log_k 6.459 + -delta_h 3.1 kcal + -gamma 5.4 0 Ca+2 + HPO4-2 = CaHPO4 - -log_k 2.739 + -log_k 2.739 -delta_h 3.3 kcal Ca+2 + H2PO4- = CaH2PO4+ - -log_k 1.408 + -log_k 1.408 -delta_h 3.4 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 # Ca+2 + F- = CaF+ # -log_k 0.94 # -delta_h 4.120 kcal # -gamma 5.5 0.0 # -Vm .9846 -5.3773 7.8635 -2.5567 .6911 5.5 # supcrt Mg+2 + H2O = MgOH+ + H+ - -log_k -11.44 + -log_k -11.44 -delta_h 15.952 kcal - -gamma 6.5 0 + -gamma 6.5 0 Mg+2 + CO3-2 = MgCO3 - -log_k 2.98 - -delta_h 2.713 kcal - -analytic 0.9910 0.00667 - -Vm -0.5837 -9.2067 9.3687 -2.3984 -.0300 # supcrt - -dw 4.21e-10 + -log_k 2.98 + -delta_h 2.713 kcal + -analytic 0.991 0.00667 + -Vm -0.5837 -9.2067 9.3687 -2.3984 -.03 # supcrt + -dw 4.21e-10 Mg+2 + H+ + CO3-2 = MgHCO3+ - -log_k 11.399 + -log_k 11.399 -delta_h -2.771 kcal - -analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9 - -gamma 4.0 0 - -Vm 2.7171 -1.1469 6.2008 -2.7316 .5985 4 # supcrt - -dw 4.78e-10 + -analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9 + -gamma 4 0 + -Vm 2.7171 -1.1469 6.2008 -2.7316 .5985 4 # supcrt + -dw 4.78e-10 Mg+2 + SO4-2 = MgSO4 - -gamma 0 0.20 - -log_k 2.42; -delta_h 19.0 kJ - -analytical_expression 0 9.64e-3 -136 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC - -Vm 8.65 -10.21 29.58 -18.60 1.061 - -viscosity 0.318 -5.4e-4 -3.42e-2 0.708 3.70e-3 0.696 - -dw 4.45e-10 + -gamma 0 0.2 + -log_k 2.42; -delta_h 19 kJ + -analytical_expression 0 9.64e-3 -136 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC + -Vm 8.65 -10.21 29.58 -18.6 1.061 + -viscosity 0.318 -5.4e-4 -3.42e-2 0.708 3.7e-3 0.696 + -dw 4.45e-10 SO4-2 + MgSO4 = Mg(SO4)2-2 - -gamma 7 0.047 - -log_k 0.52; -delta_h -13.6 kJ - -analytical_expression 0 -1.51e-3 0 0 8.604e4 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC - -Vm -8.14 -62.20 -15.96 3.29 -3.01 0 150 0 0.153 3.79e-2 - -viscosity -0.169 5e-4 -5.69e-2 0.110 2.03e-3 2.027 -1e-3 - -dw 0.845e-9 -200 8.0 0 0.965 + -gamma 7 0.047 + -log_k 0.52; -delta_h -13.6 kJ + -analytical_expression 0 -1.51e-3 0 0 8.604e4 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC + -Vm -8.14 -62.2 -15.96 3.29 -3.01 0 150 0 0.153 3.79e-2 + -viscosity -0.169 5e-4 -5.69e-2 0.11 2.03e-3 2.027 -1e-3 + -dw 0.845e-9 -200 8 0 0.965 Mg+2 + PO4-3 = MgPO4- - -log_k 6.589 - -delta_h 3.10 kcal - -gamma 5.4 0 + -log_k 6.589 + -delta_h 3.1 kcal + -gamma 5.4 0 Mg+2 + HPO4-2 = MgHPO4 - -log_k 2.87 + -log_k 2.87 -delta_h 3.3 kcal Mg+2 + H2PO4- = MgH2PO4+ - -log_k 1.513 + -log_k 1.513 -delta_h 3.4 kcal - -gamma 5.4 0 + -gamma 5.4 0 Mg+2 + F- = MgF+ - -log_k 1.82 - -delta_h 3.20 kcal - -gamma 4.5 0 - -Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt + -log_k 1.82 + -delta_h 3.2 kcal + -gamma 4.5 0 + -Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt Na+ + OH- = NaOH - -log_k -10 # remove this complex + -log_k -10 # remove this complex Na+ + HCO3- = NaHCO3 - -log_k -0.06; -delta_h 21 kJ - -gamma 0 0.2 - -Vm 7.95 0 0 0 0.609 - -viscosity -4e-2 -2.717 1.67e-5 - -dw 6.73e-10 + -log_k -0.06; -delta_h 21 kJ + -gamma 0 0.2 + -Vm 7.95 0 0 0 0.609 + -viscosity -4e-2 -2.717 1.67e-5 + -dw 6.73e-10 Na+ + SO4-2 = NaSO4- - -gamma 5.5 0 - -log_k 0.6; -delta_h -14.4 kJ - -analytical_expression 255.903 0.10057 0 -1.11138e2 -8.5983e5 # mirabilite/thenardite solubilities, 0 - 200 oC - -Vm 1.99 -10.78 21.88 -12.70 1.601 5 32.38 501 1.565e-2 0.2325 - -viscosity 0.20 -5.93e-2 -4.0e-4 8.46e-3 1.78e-3 2.308 -0.208 - -dw 1.13e-9 -23 8.50 0.392 0.521 + -gamma 5.5 0 + -log_k 0.6; -delta_h -14.4 kJ + -analytical_expression 255.903 0.10057 0 -1.11138e2 -8.5983e5 # mirabilite/thenardite solubilities, 0 - 200 oC + -Vm 1.99 -10.78 21.88 -12.7 1.601 5 32.38 501 1.565e-2 0.2325 + -viscosity 0.2 -5.93e-2 -4e-4 8.46e-3 1.78e-3 2.308 -0.208 + -dw 1.13e-9 -23 8.5 0.392 0.521 Na+ + HPO4-2 = NaHPO4- - -log_k 0.29 - -gamma 5.4 0 - -Vm 5.2 8.1 13 -3 0.9 0 0 1.62e-2 1 + -log_k 0.29 + -gamma 5.4 0 + -Vm 5.2 8.1 13 -3 0.9 0 0 1.62e-2 1 Na+ + F- = NaF - -log_k -0.24 - -Vm 2.7483 -1.0708 6.1709 -2.7347 -.030 # supcrt + -log_k -0.24 + -Vm 2.7483 -1.0708 6.1709 -2.7347 -.03 # supcrt K+ + HCO3- = KHCO3 - -log_k -0.35; -delta_h 12 kJ - -gamma 0 9.4e-3 - -Vm 9.48 0 0 0 -0.542 - -viscosity 0.7 -1.289 9e-2 + -log_k -0.35; -delta_h 12 kJ + -gamma 0 9.4e-3 + -Vm 9.48 0 0 0 -0.542 + -viscosity 0.7 -1.289 9e-2 K+ + SO4-2 = KSO4- - -gamma 5.4 0.19 - -log_k 0.6; -delta_h -10.4 kJ - -analytical_expression -3.0246 9.986e-3 0 0 1.093e5 # arcanite solubility, 0 - 200 oC - -Vm 13.48 -18.03 61.74 -19.60 2.046 5.4 -17.32 0 0.1522 1.919 - -viscosity -1.0 1.06 1e-4 -0.464 3.78e-2 0.539 -0.690 - -dw 0.90e-9 63 8.48 0 1.80 + -gamma 5.4 0.19 + -log_k 0.6; -delta_h -10.4 kJ + -analytical_expression -3.0246 9.986e-3 0 0 1.093e5 # arcanite solubility, 0 - 200 oC + -Vm 13.48 -18.03 61.74 -19.6 2.046 5.4 -17.32 0 0.1522 1.919 + -viscosity -1 1.06 1e-4 -0.464 3.78e-2 0.539 -0.69 + -dw 0.9e-9 63 8.48 0 1.8 K+ + HPO4-2 = KHPO4- - -log_k 0.29 - -gamma 5.4 0 - -Vm 5.4 8.1 19 -3.1 0.7 0 0 0 1.62e-2 1 + -log_k 0.29 + -gamma 5.4 0 + -Vm 5.4 8.1 19 -3.1 0.7 0 0 0 1.62e-2 1 Fe+2 + H2O = FeOH+ + H+ - -log_k -9.5 - -delta_h 13.20 kcal - -gamma 5.0 0 -Fe+2 + 3H2O = Fe(OH)3- + 3H+ - -log_k -31.0 + -log_k -9.5 + -delta_h 13.2 kcal + -gamma 5 0 +Fe+2 + 3 H2O = Fe(OH)3- + 3 H+ + -log_k -31 -delta_h 30.3 kcal - -gamma 5.0 0 + -gamma 5 0 Fe+2 + Cl- = FeCl+ - -log_k 0.14 + -log_k 0.14 Fe+2 + CO3-2 = FeCO3 - -log_k 4.38 + -log_k 4.38 Fe+2 + HCO3- = FeHCO3+ - -log_k 2.0 + -log_k 2 Fe+2 + SO4-2 = FeSO4 - -log_k 2.25 - -delta_h 3.230 kcal - -Vm -13 0 123 + -log_k 2.25 + -delta_h 3.23 kcal + -Vm -13 0 123 Fe+2 + HSO4- = FeHSO4+ - -log_k 1.08 -Fe+2 + 2HS- = Fe(HS)2 - -log_k 8.95 -Fe+2 + 3HS- = Fe(HS)3- - -log_k 10.987 + -log_k 1.08 +Fe+2 + 2 HS- = Fe(HS)2 + -log_k 8.95 +Fe+2 + 3 HS- = Fe(HS)3- + -log_k 10.987 Fe+2 + HPO4-2 = FeHPO4 - -log_k 3.6 + -log_k 3.6 Fe+2 + H2PO4- = FeH2PO4+ - -log_k 2.7 - -gamma 5.4 0 + -log_k 2.7 + -gamma 5.4 0 Fe+2 + F- = FeF+ - -log_k 1.0 + -log_k 1 Fe+2 = Fe+3 + e- - -log_k -13.02 - -delta_h 9.680 kcal - -gamma 9.0 0 + -log_k -13.02 + -delta_h 9.68 kcal + -gamma 9 0 Fe+3 + H2O = FeOH+2 + H+ - -log_k -2.19 - -delta_h 10.4 kcal - -gamma 5.0 0 + -log_k -2.19 + -delta_h 10.4 kcal + -gamma 5 0 Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+ - -log_k -5.67 - -delta_h 17.1 kcal - -gamma 5.4 0 + -log_k -5.67 + -delta_h 17.1 kcal + -gamma 5.4 0 Fe+3 + 3 H2O = Fe(OH)3 + 3 H+ - -log_k -12.56 - -delta_h 24.8 kcal + -log_k -12.56 + -delta_h 24.8 kcal Fe+3 + 4 H2O = Fe(OH)4- + 4 H+ - -log_k -21.6 - -delta_h 31.9 kcal - -gamma 5.4 0 -Fe+2 + 2H2O = Fe(OH)2 + 2H+ - -log_k -20.57 + -log_k -21.6 + -delta_h 31.9 kcal + -gamma 5.4 0 +Fe+2 + 2 H2O = Fe(OH)2 + 2 H+ + -log_k -20.57 -delta_h 28.565 kcal 2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+ - -log_k -2.95 - -delta_h 13.5 kcal + -log_k -2.95 + -delta_h 13.5 kcal 3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+ - -log_k -6.3 - -delta_h 14.3 kcal + -log_k -6.3 + -delta_h 14.3 kcal Fe+3 + Cl- = FeCl+2 - -log_k 1.48 - -delta_h 5.6 kcal - -gamma 5.0 0 + -log_k 1.48 + -delta_h 5.6 kcal + -gamma 5 0 Fe+3 + 2 Cl- = FeCl2+ - -log_k 2.13 - -gamma 5.0 0 + -log_k 2.13 + -gamma 5 0 Fe+3 + 3 Cl- = FeCl3 - -log_k 1.13 + -log_k 1.13 Fe+3 + SO4-2 = FeSO4+ - -log_k 4.04 - -delta_h 3.91 kcal - -gamma 5.0 0 + -log_k 4.04 + -delta_h 3.91 kcal + -gamma 5 0 Fe+3 + HSO4- = FeHSO4+2 - -log_k 2.48 + -log_k 2.48 Fe+3 + 2 SO4-2 = Fe(SO4)2- - -log_k 5.38 - -delta_h 4.60 kcal + -log_k 5.38 + -delta_h 4.6 kcal Fe+3 + HPO4-2 = FeHPO4+ - -log_k 5.43 - -delta_h 5.76 kcal - -gamma 5.0 0 + -log_k 5.43 + -delta_h 5.76 kcal + -gamma 5 0 Fe+3 + H2PO4- = FeH2PO4+2 - -log_k 5.43 - -gamma 5.4 0 + -log_k 5.43 + -gamma 5.4 0 Fe+3 + F- = FeF+2 - -log_k 6.2 - -delta_h 2.7 kcal - -gamma 5.0 0 + -log_k 6.2 + -delta_h 2.7 kcal + -gamma 5 0 Fe+3 + 2 F- = FeF2+ - -log_k 10.8 - -delta_h 4.8 kcal - -gamma 5.0 0 + -log_k 10.8 + -delta_h 4.8 kcal + -gamma 5 0 Fe+3 + 3 F- = FeF3 - -log_k 14.0 - -delta_h 5.4 kcal + -log_k 14 + -delta_h 5.4 kcal Mn+2 + H2O = MnOH+ + H+ - -log_k -10.59 - -delta_h 14.40 kcal - -gamma 5.0 0 -Mn+2 + 3H2O = Mn(OH)3- + 3H+ - -log_k -34.8 - -gamma 5.0 0 + -log_k -10.59 + -delta_h 14.4 kcal + -gamma 5 0 +Mn+2 + 3 H2O = Mn(OH)3- + 3 H+ + -log_k -34.8 + -gamma 5 0 Mn+2 + Cl- = MnCl+ - -log_k 0.61 - -gamma 5.0 0 - -Vm 7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1 + -log_k 0.61 + -gamma 5 0 + -Vm 7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1 Mn+2 + 2 Cl- = MnCl2 - -log_k 0.25 - -Vm 1e-5 0 144 + -log_k 0.25 + -Vm 1e-5 0 144 Mn+2 + 3 Cl- = MnCl3- - -log_k -0.31 - -gamma 5.0 0 - -Vm 11.8 0 0 0 2.4 0 0 0 3.6e-2 1 + -log_k -0.31 + -gamma 5 0 + -Vm 11.8 0 0 0 2.4 0 0 0 3.6e-2 1 Mn+2 + CO3-2 = MnCO3 - -log_k 4.9 + -log_k 4.9 Mn+2 + HCO3- = MnHCO3+ - -log_k 1.95 - -gamma 5.0 0 + -log_k 1.95 + -gamma 5 0 Mn+2 + SO4-2 = MnSO4 - -log_k 2.25 - -delta_h 3.370 kcal - -Vm -1.31 -1.83 62.3 -2.7 + -log_k 2.25 + -delta_h 3.37 kcal + -Vm -1.31 -1.83 62.3 -2.7 Mn+2 + 2 NO3- = Mn(NO3)2 - -log_k 0.6 + -log_k 0.6 -delta_h -0.396 kcal - -Vm 6.16 0 29.4 0 0.9 + -Vm 6.16 0 29.4 0 0.9 Mn+2 + F- = MnF+ - -log_k 0.84 - -gamma 5.0 0 + -log_k 0.84 + -gamma 5 0 Mn+2 = Mn+3 + e- - -log_k -25.51 - -delta_h 25.80 kcal - -gamma 9.0 0 + -log_k -25.51 + -delta_h 25.8 kcal + -gamma 9 0 Al+3 + H2O = AlOH+2 + H+ - -log_k -5.0 - -delta_h 11.49 kcal - -analytic -38.253 0.0 -656.27 14.327 - -gamma 5.4 0 - -Vm -1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # Barta and Hepler, 1986, Can. J. Chem. 64, 353. + -log_k -5 + -delta_h 11.49 kcal + -analytic -38.253 0 -656.27 14.327 + -gamma 5.4 0 + -Vm -1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # Barta and Hepler, 1986, Can. J. Chem. 64, 353 Al+3 + 2 H2O = Al(OH)2+ + 2 H+ - -log_k -10.1 - -delta_h 26.90 kcal - -gamma 5.4 0 - -analytic 88.50 0.0 -9391.6 -27.121 + -log_k -10.1 + -delta_h 26.9 kcal + -gamma 5.4 0 + -analytic 88.5 0 -9391.6 -27.121 Al+3 + 3 H2O = Al(OH)3 + 3 H+ - -log_k -16.9 - -delta_h 39.89 kcal - -analytic 226.374 0.0 -18247.8 -73.597 + -log_k -16.9 + -delta_h 39.89 kcal + -analytic 226.374 0 -18247.8 -73.597 Al+3 + 4 H2O = Al(OH)4- + 4 H+ - -log_k -22.7 - -delta_h 42.30 kcal - -analytic 51.578 0.0 -11168.9 -14.865 - -gamma 4.5 0 + -log_k -22.7 + -delta_h 42.3 kcal + -analytic 51.578 0 -11168.9 -14.865 + -gamma 4.5 0 -dw 1.04e-9 # Mackin & Aller, 1983, GCA 47, 959 Al+3 + SO4-2 = AlSO4+ - -log_k 3.5 + -log_k 3.5 -delta_h 2.29 kcal - -gamma 4.5 0 -Al+3 + 2SO4-2 = Al(SO4)2- - -log_k 5.0 + -gamma 4.5 0 +Al+3 + 2 SO4-2 = Al(SO4)2- + -log_k 5 -delta_h 3.11 kcal - -gamma 4.5 0 + -gamma 4.5 0 Al+3 + HSO4- = AlHSO4+2 - -log_k 0.46 + -log_k 0.46 Al+3 + F- = AlF+2 - -log_k 7.0 - -delta_h 1.060 kcal - -gamma 5.4 0 + -log_k 7 + -delta_h 1.06 kcal + -gamma 5.4 0 Al+3 + 2 F- = AlF2+ - -log_k 12.7 - -delta_h 1.980 kcal - -gamma 5.4 0 + -log_k 12.7 + -delta_h 1.98 kcal + -gamma 5.4 0 Al+3 + 3 F- = AlF3 - -log_k 16.8 - -delta_h 2.160 kcal + -log_k 16.8 + -delta_h 2.16 kcal Al+3 + 4 F- = AlF4- - -log_k 19.4 - -delta_h 2.20 kcal - -gamma 4.5 0 + -log_k 19.4 + -delta_h 2.2 kcal + -gamma 4.5 0 # Al+3 + 5 F- = AlF5-2 # log_k 20.6 # delta_h 1.840 kcal @@ -672,681 +676,681 @@ Al+3 + 4 F- = AlF4- # log_k 20.6 # delta_h -1.670 kcal H4SiO4 = H3SiO4- + H+ - -log_k -9.83 - -delta_h 6.12 kcal - -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669.0 - -gamma 4 0 - -Vm 7.94 1.0881 5.3224 -2.8240 1.4767 # supcrt + H2O in a1 + -log_k -9.83 + -delta_h 6.12 kcal + -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669 + -gamma 4 0 + -Vm 7.94 1.0881 5.3224 -2.824 1.4767 # supcrt H2O in a1 H4SiO4 = H2SiO4-2 + 2 H+ - -log_k -23.0 - -delta_h 17.6 kcal - -analytic -294.0184 -0.072650 11204.49 108.18466 -1119669.0 - -gamma 5.4 0 + -log_k -23 + -delta_h 17.6 kcal + -analytic -294.0184 -0.07265 11204.49 108.18466 -1119669 + -gamma 5.4 0 H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O - -log_k 30.18 - -delta_h -16.260 kcal - -gamma 5.0 0 - -Vm 8.5311 13.0492 .6211 -3.3185 2.7716 # supcrt + -log_k 30.18 + -delta_h -16.26 kcal + -gamma 5 0 + -Vm 8.5311 13.0492 .6211 -3.3185 2.7716 # supcrt Ba+2 + H2O = BaOH+ + H+ - -log_k -13.47 - -gamma 5.0 0 + -log_k -13.47 + -gamma 5 0 Ba+2 + CO3-2 = BaCO3 - -log_k 2.71 - -delta_h 3.55 kcal - -analytic 0.113 0.008721 - -Vm .2907 -7.0717 8.5295 -2.4867 -.0300 # supcrt + -log_k 2.71 + -delta_h 3.55 kcal + -analytic 0.113 0.008721 + -Vm .2907 -7.0717 8.5295 -2.4867 -.03 # supcrt Ba+2 + HCO3- = BaHCO3+ - -log_k 0.982 + -log_k 0.982 -delta_h 5.56 kcal - -analytic -3.0938 0.013669 + -analytic -3.0938 0.013669 Ba+2 + SO4-2 = BaSO4 - -log_k 2.7 + -log_k 2.7 Sr+2 + H2O = SrOH+ + H+ - -log_k -13.29 - -gamma 5.0 0 + -log_k -13.29 + -gamma 5 0 Sr+2 + CO3-2 + H+ = SrHCO3+ - -log_k 11.509 - -delta_h 2.489 kcal - -analytic 104.6391 0.04739549 -5151.79 -38.92561 563713.9 - -gamma 5.4 0 + -log_k 11.509 + -delta_h 2.489 kcal + -analytic 104.6391 0.04739549 -5151.79 -38.92561 563713.9 + -gamma 5.4 0 Sr+2 + CO3-2 = SrCO3 - -log_k 2.81 - -delta_h 5.22 kcal - -analytic -1.019 0.012826 - -Vm -.1787 -8.2177 8.9799 -2.4393 -.0300 # supcrt + -log_k 2.81 + -delta_h 5.22 kcal + -analytic -1.019 0.012826 + -Vm -.1787 -8.2177 8.9799 -2.4393 -.03 # supcrt Sr+2 + SO4-2 = SrSO4 - -log_k 2.29 - -delta_h 2.08 kcal - -Vm 6.7910 -.9666 6.1300 -2.7390 -.0010 # celestite solubility + -log_k 2.29 + -delta_h 2.08 kcal + -Vm 6.791 -.9666 6.13 -2.739 -.001 # celestite solubility Li+ + SO4-2 = LiSO4- - -log_k 0.64 - -gamma 5.0 0 + -log_k 0.64 + -gamma 5 0 Cu+2 + e- = Cu+ - -log_k 2.72 - -delta_h 1.65 kcal - -gamma 2.5 0 -Cu+ + 2Cl- = CuCl2- - -log_k 5.50 + -log_k 2.72 + -delta_h 1.65 kcal + -gamma 2.5 0 +Cu+ + 2 Cl- = CuCl2- + -log_k 5.5 -delta_h -0.42 kcal - -gamma 4.0 0 -Cu+ + 3Cl- = CuCl3-2 - -log_k 5.70 + -gamma 4 0 +Cu+ + 3 Cl- = CuCl3-2 + -log_k 5.7 -delta_h 0.26 kcal - -gamma 5.0 0.0 + -gamma 5 0 Cu+2 + CO3-2 = CuCO3 - -log_k 6.73 -Cu+2 + 2CO3-2 = Cu(CO3)2-2 - -log_k 9.83 + -log_k 6.73 +Cu+2 + 2 CO3-2 = Cu(CO3)2-2 + -log_k 9.83 Cu+2 + HCO3- = CuHCO3+ - -log_k 2.7 + -log_k 2.7 Cu+2 + Cl- = CuCl+ - -log_k 0.43 + -log_k 0.43 -delta_h 8.65 kcal - -gamma 4.0 0 - -Vm -4.19 0 30.4 0 0 4 0 0 1.94e-2 1 -Cu+2 + 2Cl- = CuCl2 - -log_k 0.16 + -gamma 4 0 + -Vm -4.19 0 30.4 0 0 4 0 0 1.94e-2 1 +Cu+2 + 2 Cl- = CuCl2 + -log_k 0.16 -delta_h 10.56 kcal - -Vm 26.8 0 -136 -Cu+2 + 3Cl- = CuCl3- - -log_k -2.29 + -Vm 26.8 0 -136 +Cu+2 + 3 Cl- = CuCl3- + -log_k -2.29 -delta_h 13.69 kcal - -gamma 4.0 0 -Cu+2 + 4Cl- = CuCl4-2 - -log_k -4.59 + -gamma 4 0 +Cu+2 + 4 Cl- = CuCl4-2 + -log_k -4.59 -delta_h 17.78 kcal - -gamma 5.0 0 + -gamma 5 0 Cu+2 + F- = CuF+ - -log_k 1.26 + -log_k 1.26 -delta_h 1.62 kcal Cu+2 + H2O = CuOH+ + H+ - -log_k -8.0 - -gamma 4.0 0 + -log_k -8 + -gamma 4 0 Cu+2 + 2 H2O = Cu(OH)2 + 2 H+ - -log_k -13.68 + -log_k -13.68 Cu+2 + 3 H2O = Cu(OH)3- + 3 H+ - -log_k -26.9 + -log_k -26.9 Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+ - -log_k -39.6 -2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+ - -log_k -10.359 + -log_k -39.6 +2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+ + -log_k -10.359 -delta_h 17.539 kcal - -analytical 2.497 0.0 -3833.0 + -analytical 2.497 0 -3833 Cu+2 + SO4-2 = CuSO4 - -log_k 2.31 - -delta_h 1.220 kcal - -Vm 5.21 0 -14.6 -Cu+2 + 3HS- = Cu(HS)3- - -log_k 25.9 + -log_k 2.31 + -delta_h 1.22 kcal + -Vm 5.21 0 -14.6 +Cu+2 + 3 HS- = Cu(HS)3- + -log_k 25.9 Zn+2 + H2O = ZnOH+ + H+ - -log_k -8.96 + -log_k -8.96 -delta_h 13.4 kcal Zn+2 + 2 H2O = Zn(OH)2 + 2 H+ - -log_k -16.9 + -log_k -16.9 Zn+2 + 3 H2O = Zn(OH)3- + 3 H+ - -log_k -28.4 + -log_k -28.4 Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+ - -log_k -41.2 + -log_k -41.2 Zn+2 + Cl- = ZnCl+ - -log_k 0.43 + -log_k 0.43 -delta_h 7.79 kcal - -gamma 4.0 0 - -Vm 14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1 + -gamma 4 0 + -Vm 14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1 Zn+2 + 2 Cl- = ZnCl2 - -log_k 0.45 + -log_k 0.45 -delta_h 8.5 kcal - -Vm -10.1 4.57 241 -2.97 -1e-3 -Zn+2 + 3Cl- = ZnCl3- - -log_k 0.5 + -Vm -10.1 4.57 241 -2.97 -1e-3 +Zn+2 + 3 Cl- = ZnCl3- + -log_k 0.5 -delta_h 9.56 kcal - -gamma 4.0 0 - -Vm 0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1 -Zn+2 + 4Cl- = ZnCl4-2 - -log_k 0.2 + -gamma 4 0 + -Vm 0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1 +Zn+2 + 4 Cl- = ZnCl4-2 + -log_k 0.2 -delta_h 10.96 kcal - -gamma 5.0 0 - -Vm 28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1 + -gamma 5 0 + -Vm 28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1 Zn+2 + H2O + Cl- = ZnOHCl + H+ - -log_k -7.48 -Zn+2 + 2HS- = Zn(HS)2 - -log_k 14.94 -Zn+2 + 3HS- = Zn(HS)3- - -log_k 16.1 + -log_k -7.48 +Zn+2 + 2 HS- = Zn(HS)2 + -log_k 14.94 +Zn+2 + 3 HS- = Zn(HS)3- + -log_k 16.1 Zn+2 + CO3-2 = ZnCO3 - -log_k 5.3 -Zn+2 + 2CO3-2 = Zn(CO3)2-2 - -log_k 9.63 + -log_k 5.3 +Zn+2 + 2 CO3-2 = Zn(CO3)2-2 + -log_k 9.63 Zn+2 + HCO3- = ZnHCO3+ - -log_k 2.1 + -log_k 2.1 Zn+2 + SO4-2 = ZnSO4 - -log_k 2.37 + -log_k 2.37 -delta_h 1.36 kcal - -Vm 2.51 0 18.8 -Zn+2 + 2SO4-2 = Zn(SO4)2-2 - -log_k 3.28 - -Vm 10.9 0 -98.7 0 0 0 24 0 -0.236 1 + -Vm 2.51 0 18.8 +Zn+2 + 2 SO4-2 = Zn(SO4)2-2 + -log_k 3.28 + -Vm 10.9 0 -98.7 0 0 0 24 0 -0.236 1 Zn+2 + Br- = ZnBr+ - -log_k -0.58 -Zn+2 + 2Br- = ZnBr2 - -log_k -0.98 + -log_k -0.58 +Zn+2 + 2 Br- = ZnBr2 + -log_k -0.98 Zn+2 + F- = ZnF+ - -log_k 1.15 + -log_k 1.15 -delta_h 2.22 kcal Cd+2 + H2O = CdOH+ + H+ - -log_k -10.08 + -log_k -10.08 -delta_h 13.1 kcal Cd+2 + 2 H2O = Cd(OH)2 + 2 H+ - -log_k -20.35 + -log_k -20.35 Cd+2 + 3 H2O = Cd(OH)3- + 3 H+ - -log_k -33.3 + -log_k -33.3 Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+ - -log_k -47.35 -2Cd+2 + H2O = Cd2OH+3 + H+ - -log_k -9.39 + -log_k -47.35 +2 Cd+2 + H2O = Cd2OH+3 + H+ + -log_k -9.39 -delta_h 10.9 kcal Cd+2 + H2O + Cl- = CdOHCl + H+ - -log_k -7.404 + -log_k -7.404 -delta_h 4.355 kcal Cd+2 + NO3- = CdNO3+ - -log_k 0.4 + -log_k 0.4 -delta_h -5.2 kcal - -Vm 5.95 0 -1.11 0 2.67 7 0 0 1.53e-2 1 + -Vm 5.95 0 -1.11 0 2.67 7 0 0 1.53e-2 1 Cd+2 + Cl- = CdCl+ - -log_k 1.98 + -log_k 1.98 -delta_h 0.59 kcal - -Vm 5.69 0 -30.2 0 0 6 0 0 0.112 1 + -Vm 5.69 0 -30.2 0 0 6 0 0 0.112 1 Cd+2 + 2 Cl- = CdCl2 - -log_k 2.6 + -log_k 2.6 -delta_h 1.24 kcal - -Vm 5.53 + -Vm 5.53 Cd+2 + 3 Cl- = CdCl3- - -log_k 2.4 + -log_k 2.4 -delta_h 3.9 kcal - -Vm 4.6 0 83.9 0 0 0 0 0 0 1 + -Vm 4.6 0 83.9 0 0 0 0 0 0 1 Cd+2 + CO3-2 = CdCO3 - -log_k 2.9 -Cd+2 + 2CO3-2 = Cd(CO3)2-2 - -log_k 6.4 + -log_k 2.9 +Cd+2 + 2 CO3-2 = Cd(CO3)2-2 + -log_k 6.4 Cd+2 + HCO3- = CdHCO3+ - -log_k 1.5 + -log_k 1.5 Cd+2 + SO4-2 = CdSO4 - -log_k 2.46 + -log_k 2.46 -delta_h 1.08 kcal - -Vm 10.4 0 57.9 -Cd+2 + 2SO4-2 = Cd(SO4)2-2 - -log_k 3.5 - -Vm -6.29 0 -93 0 9.5 7 0 0 0 1 + -Vm 10.4 0 57.9 +Cd+2 + 2 SO4-2 = Cd(SO4)2-2 + -log_k 3.5 + -Vm -6.29 0 -93 0 9.5 7 0 0 0 1 Cd+2 + Br- = CdBr+ - -log_k 2.17 + -log_k 2.17 -delta_h -0.81 kcal -Cd+2 + 2Br- = CdBr2 - -log_k 2.9 +Cd+2 + 2 Br- = CdBr2 + -log_k 2.9 Cd+2 + F- = CdF+ - -log_k 1.1 -Cd+2 + 2F- = CdF2 - -log_k 1.5 + -log_k 1.1 +Cd+2 + 2 F- = CdF2 + -log_k 1.5 Cd+2 + HS- = CdHS+ - -log_k 10.17 -Cd+2 + 2HS- = Cd(HS)2 - -log_k 16.53 -Cd+2 + 3HS- = Cd(HS)3- - -log_k 18.71 -Cd+2 + 4HS- = Cd(HS)4-2 - -log_k 20.9 + -log_k 10.17 +Cd+2 + 2 HS- = Cd(HS)2 + -log_k 16.53 +Cd+2 + 3 HS- = Cd(HS)3- + -log_k 18.71 +Cd+2 + 4 HS- = Cd(HS)4-2 + -log_k 20.9 Pb+2 + H2O = PbOH+ + H+ - -log_k -7.71 + -log_k -7.71 Pb+2 + 2 H2O = Pb(OH)2 + 2 H+ - -log_k -17.12 + -log_k -17.12 Pb+2 + 3 H2O = Pb(OH)3- + 3 H+ - -log_k -28.06 + -log_k -28.06 Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+ - -log_k -39.7 + -log_k -39.7 2 Pb+2 + H2O = Pb2OH+3 + H+ - -log_k -6.36 + -log_k -6.36 Pb+2 + Cl- = PbCl+ - -log_k 1.6 + -log_k 1.6 -delta_h 4.38 kcal - -Vm 2.8934 -.7165 6.0316 -2.7494 .1281 6 # supcrt + -Vm 2.8934 -.7165 6.0316 -2.7494 .1281 6 # supcrt Pb+2 + 2 Cl- = PbCl2 - -log_k 1.8 + -log_k 1.8 -delta_h 1.08 kcal - -Vm 6.5402 8.1879 2.5318 -3.1175 -.0300 # supcrt + -Vm 6.5402 8.1879 2.5318 -3.1175 -.03 # supcrt Pb+2 + 3 Cl- = PbCl3- - -log_k 1.7 + -log_k 1.7 -delta_h 2.17 kcal - -Vm 11.0396 19.1743 -1.7863 -3.5717 .7356 # supcrt + -Vm 11.0396 19.1743 -1.7863 -3.5717 .7356 # supcrt Pb+2 + 4 Cl- = PbCl4-2 - -log_k 1.38 + -log_k 1.38 -delta_h 3.53 kcal - -Vm 16.4150 32.2997 -6.9452 -4.1143 2.3118 # supcrt + -Vm 16.415 32.2997 -6.9452 -4.1143 2.3118 # supcrt Pb+2 + CO3-2 = PbCO3 - -log_k 7.24 + -log_k 7.24 Pb+2 + 2 CO3-2 = Pb(CO3)2-2 - -log_k 10.64 + -log_k 10.64 Pb+2 + HCO3- = PbHCO3+ - -log_k 2.9 + -log_k 2.9 Pb+2 + SO4-2 = PbSO4 - -log_k 2.75 + -log_k 2.75 Pb+2 + 2 SO4-2 = Pb(SO4)2-2 - -log_k 3.47 -Pb+2 + 2HS- = Pb(HS)2 - -log_k 15.27 -Pb+2 + 3HS- = Pb(HS)3- - -log_k 16.57 -3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+ - -log_k -23.88 + -log_k 3.47 +Pb+2 + 2 HS- = Pb(HS)2 + -log_k 15.27 +Pb+2 + 3 HS- = Pb(HS)3- + -log_k 16.57 +3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+ + -log_k -23.88 -delta_h 26.5 kcal Pb+2 + NO3- = PbNO3+ - -log_k 1.17 + -log_k 1.17 Pb+2 + Br- = PbBr+ - -log_k 1.77 + -log_k 1.77 -delta_h 2.88 kcal -Pb+2 + 2Br- = PbBr2 - -log_k 1.44 +Pb+2 + 2 Br- = PbBr2 + -log_k 1.44 Pb+2 + F- = PbF+ - -log_k 1.25 -Pb+2 + 2F- = PbF2 - -log_k 2.56 -Pb+2 + 3F- = PbF3- - -log_k 3.42 -Pb+2 + 4F- = PbF4-2 - -log_k 3.1 + -log_k 1.25 +Pb+2 + 2 F- = PbF2 + -log_k 2.56 +Pb+2 + 3 F- = PbF3- + -log_k 3.42 +Pb+2 + 4 F- = PbF4-2 + -log_k 3.1 PHASES Calcite CaCO3 = CO3-2 + Ca+2 - -log_k -8.48 + -log_k -8.48 -delta_h -2.297 kcal - -analytic 17.118 -0.046528 -3496 # 0 - 250°C, Ellis, 1959, Plummer and Busenberg, 1982 + -analytic 17.118 -0.046528 -3496 # 0 - 250°C, Ellis, 1959, Plummer and Busenberg, 1982 -Vm 36.9 cm3/mol # MW (100.09 g/mol) / rho (2.71 g/cm3) Aragonite CaCO3 = CO3-2 + Ca+2 - -log_k -8.336 + -log_k -8.336 -delta_h -2.589 kcal - -analytic -171.9773 -0.077993 2903.293 71.595 + -analytic -171.9773 -0.077993 2903.293 71.595 -Vm 34.04 Dolomite CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 - -log_k -17.09 - -delta_h -9.436 kcal - -analytic 31.283 -0.0898 -6438 # 25°C: Hemingway and Robie, 1994; 50–175°C: Bénézeth et al., 2018, GCA 224, 262-275. + -log_k -17.09 + -delta_h -9.436 kcal + -analytic 31.283 -0.0898 -6438 # 25°C: Hemingway and Robie, 1994; 50–175°C: Bénézeth et al., 2018, GCA 224, 262-275 -Vm 64.5 Siderite FeCO3 = Fe+2 + CO3-2 - -log_k -10.89 - -delta_h -2.480 kcal + -log_k -10.89 + -delta_h -2.48 kcal -Vm 29.2 Rhodochrosite MnCO3 = Mn+2 + CO3-2 - -log_k -11.13 - -delta_h -1.430 kcal + -log_k -11.13 + -delta_h -1.43 kcal -Vm 31.1 Strontianite SrCO3 = Sr+2 + CO3-2 - -log_k -9.271 - -delta_h -0.400 kcal - -analytic 155.0305 0.0 -7239.594 -56.58638 + -log_k -9.271 + -delta_h -0.4 kcal + -analytic 155.0305 0 -7239.594 -56.58638 -Vm 39.69 Witherite BaCO3 = Ba+2 + CO3-2 - -log_k -8.562 - -delta_h 0.703 kcal - -analytic 607.642 0.121098 -20011.25 -236.4948 + -log_k -8.562 + -delta_h 0.703 kcal + -analytic 607.642 0.121098 -20011.25 -236.4948 -Vm 46 Gypsum CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O - -log_k -4.58 + -log_k -4.58 -delta_h -0.109 kcal - -analytic 68.2401 0.0 -3221.51 -25.0627 - -analytical_expression 93.7 5.99E-03 -4e3 -35.019 # better fits the appendix data of Appelo, 2015, AG 55, 62 - -Vm 73.9 # 172.18 / 2.33 (Vm H2O = 13.9 cm3/mol) + -analytic 68.2401 0 -3221.51 -25.0627 + -analytical_expression 93.7 5.99E-3 -4e3 -35.019 # better fits the appendix data of Appelo, 2015, AG 55, 62 + -Vm 73.9 # 172.18 / 2.33 (Vm H2O = 13.9 cm3/mol) Anhydrite CaSO4 = Ca+2 + SO4-2 - -log_k -4.36 - -delta_h -1.710 kcal - -analytic 84.90 0 -3135.12 -31.79 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323. + -log_k -4.36 + -delta_h -1.71 kcal + -analytic 84.9 0 -3135.12 -31.79 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323 -Vm 46.1 # 136.14 / 2.95 Celestite SrSO4 = Sr+2 + SO4-2 - -log_k -6.63 + -log_k -6.63 -delta_h -4.037 kcal # -analytic -14805.9622 -2.4660924 756968.533 5436.3588 -40553604.0 - -analytic -7.14 6.11e-3 75 0 0 -1.79e-5 # Howell et al., 1992, JCED 37, 464. + -analytic -7.14 6.11e-3 75 0 0 -1.79e-5 # Howell et al., 1992, JCED 37, 464 -Vm 46.4 Barite BaSO4 = Ba+2 + SO4-2 - -log_k -9.97 - -delta_h 6.35 kcal - -analytical_expression -282.43 -8.972e-2 5822 113.08 # Blount 1977; Templeton, 1960 + -log_k -9.97 + -delta_h 6.35 kcal + -analytical_expression -282.43 -8.972e-2 5822 113.08 # Blount 1977; Templeton, 1960 -Vm 52.9 Arcanite - K2SO4 = SO4-2 + 2 K+ - log_k -1.776; -delta_h 5 kcal - -analytical_expression 674.142 0.30423 -18037 -280.236 0 -1.44055e-4 # ref. 3 + K2SO4 = SO4-2 + 2 K+ + log_k -1.776; -delta_h 5 kcal + -analytical_expression 674.142 0.30423 -18037 -280.236 0 -1.44055e-4 # ref. 3 # Note, the Linke and Seidell data may give subsaturation in other xpt's, SI = -0.06 -Vm 65.5 Mirabilite - Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O - -analytical_expression -301.9326 -0.16232 0 141.078 # ref. 3 + Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O + -analytical_expression -301.9326 -0.16232 0 141.078 # ref. 3 Vm 216 Thenardite Na2SO4 = 2 Na+ + SO4-2 - -analytical_expression 57.185 8.6024e-2 0 -30.8341 0 -7.6905e-5 # ref. 3 + -analytical_expression 57.185 8.6024e-2 0 -30.8341 0 -7.6905e-5 # ref. 3 -Vm 52.9 Epsomite - MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O - log_k -1.74; -delta_h 10.57 kJ - -analytical_expression -3.59 6.21e-3 + MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O + log_k -1.74; -delta_h 10.57 kJ + -analytical_expression -3.59 6.21e-3 Vm 147 Hexahydrite - MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O - log_k -1.57; -delta_h 2.35 kJ - -analytical_expression -1.978 1.38e-3 + MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O + log_k -1.57; -delta_h 2.35 kJ + -analytical_expression -1.978 1.38e-3 Vm 132 Kieserite - MgSO4:H2O = Mg+2 + SO4-2 + H2O - log_k -1.16; -delta_h 9.22 kJ - -analytical_expression 29.485 -5.07e-2 0 -2.662 -7.95e5 + MgSO4:H2O = Mg+2 + SO4-2 + H2O + log_k -1.16; -delta_h 9.22 kJ + -analytical_expression 29.485 -5.07e-2 0 -2.662 -7.95e5 Vm 53.8 Hydroxyapatite Ca5(PO4)3OH + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2 - -log_k -3.421 + -log_k -3.421 -delta_h -36.155 kcal -Vm 128.9 Fluorite CaF2 = Ca+2 + 2 F- - -log_k -10.6 - -delta_h 4.69 kcal - -analytic 66.348 0.0 -4298.2 -25.271 + -log_k -10.6 + -delta_h 4.69 kcal + -analytic 66.348 0 -4298.2 -25.271 -Vm 15.7 SiO2(a) SiO2 + 2 H2O = H4SiO4 - -log_k -2.71 - -delta_h 3.340 kcal - -analytic -0.26 0.0 -731.0 + -log_k -2.71 + -delta_h 3.34 kcal + -analytic -0.26 0 -731 Chalcedony SiO2 + 2 H2O = H4SiO4 - -log_k -3.55 - -delta_h 4.720 kcal - -analytic -0.09 0.0 -1032.0 + -log_k -3.55 + -delta_h 4.72 kcal + -analytic -0.09 0 -1032 -Vm 23.1 Quartz SiO2 + 2 H2O = H4SiO4 - -log_k -3.98 - -delta_h 5.990 kcal - -analytic 0.41 0.0 -1309.0 + -log_k -3.98 + -delta_h 5.99 kcal + -analytic 0.41 0 -1309 -Vm 22.67 Gibbsite Al(OH)3 + 3 H+ = Al+3 + 3 H2O - -log_k 8.11 - -delta_h -22.800 kcal + -log_k 8.11 + -delta_h -22.8 kcal -Vm 32.22 Al(OH)3(a) Al(OH)3 + 3 H+ = Al+3 + 3 H2O - -log_k 10.8 - -delta_h -26.500 kcal + -log_k 10.8 + -delta_h -26.5 kcal Kaolinite Al2Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 2 Al+3 - -log_k 7.435 - -delta_h -35.300 kcal + -log_k 7.435 + -delta_h -35.3 kcal -Vm 99.35 Albite NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4 - -log_k -18.002 + -log_k -18.002 -delta_h 25.896 kcal -Vm 101.31 Anorthite CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4 - -log_k -19.714 - -delta_h 11.580 kcal + -log_k -19.714 + -delta_h 11.58 kcal -Vm 105.05 K-feldspar KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4 - -log_k -20.573 - -delta_h 30.820 kcal + -log_k -20.573 + -delta_h 30.82 kcal -Vm 108.15 K-mica KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4 - -log_k 12.703 + -log_k 12.703 -delta_h -59.376 kcal Chlorite(14A) - Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O - -log_k 68.38 + Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O + -log_k 68.38 -delta_h -151.494 kcal Ca-Montmorillonite - Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+ - -log_k -45.027 + Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165 Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+ + -log_k -45.027 -delta_h 58.373 kcal -Vm 156.16 Talc Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4 - -log_k 21.399 + -log_k 21.399 -delta_h -46.352 kcal -Vm 68.34 Illite - K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 0.6K+ + 0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H+ - -log_k -40.267 + K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2 H2O = 0.6 K+ + 0.25 Mg+2 + 2.3 Al(OH)4- + 3.5 H4SiO4 + 1.2 H+ + -log_k -40.267 -delta_h 54.684 kcal -Vm 141.48 Chrysotile Mg3Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 3 Mg+2 - -log_k 32.2 - -delta_h -46.800 kcal - -analytic 13.248 0.0 10217.1 -6.1894 - -Vm 106.5808 # 277.11/2.60 + -log_k 32.2 + -delta_h -46.8 kcal + -analytic 13.248 0 10217.1 -6.1894 + -Vm 106.5808 # 277.11/2.60 Sepiolite - Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 - -log_k 15.760 - -delta_h -10.700 kcal + Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 + -log_k 15.76 + -delta_h -10.7 kcal -Vm 143.765 Sepiolite(d) - Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 - -log_k 18.66 + Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 + -log_k 18.66 Hematite Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O - -log_k -4.008 + -log_k -4.008 -delta_h -30.845 kcal -Vm 30.39 Goethite FeOOH + 3 H+ = Fe+3 + 2 H2O - -log_k -1.0 - -delta_h -14.48 kcal + -log_k -1 + -delta_h -14.48 kcal -Vm 20.84 Fe(OH)3(a) Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O - -log_k 4.891 + -log_k 4.891 Pyrite FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS- - -log_k -18.479 - -delta_h 11.300 kcal + -log_k -18.479 + -delta_h 11.3 kcal -Vm 23.48 FeS(ppt) FeS + H+ = Fe+2 + HS- - -log_k -3.915 + -log_k -3.915 Mackinawite FeS + H+ = Fe+2 + HS- - -log_k -4.648 + -log_k -4.648 -Vm 20.45 Sulfur - S + 2H+ + 2e- = H2S - -log_k 4.882 + S + 2 H+ + 2 e- = H2S + -log_k 4.882 -delta_h -9.5 kcal Vivianite Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O - -log_k -36.0 -Pyrolusite # H2O added for surface calc's + -log_k -36 +Pyrolusite # H2O added for surface calc's MnO2:H2O + 4 H+ + 2 e- = Mn+2 + 3 H2O - -log_k 41.38 - -delta_h -65.110 kcal + -log_k 41.38 + -delta_h -65.11 kcal Hausmannite Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O - -log_k 61.03 - -delta_h -100.640 kcal + -log_k 61.03 + -delta_h -100.64 kcal Manganite MnOOH + 3 H+ + e- = Mn+2 + 2 H2O - -log_k 25.34 + -log_k 25.34 Pyrochroite Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O - -log_k 15.2 + -log_k 15.2 Halite - NaCl = Cl- + Na+ - log_k 1.570 - -delta_h 1.37 + NaCl = Cl- + Na+ + log_k 1.57 + -delta_h 1.37 #-analytic -713.4616 -.1201241 37302.21 262.4583 -2106915. -Vm 27.1 Sylvite - KCl = K+ + Cl- - log_k 0.900 - -delta_h 8.5 + KCl = K+ + Cl- + log_k 0.9 + -delta_h 8.5 # -analytic 3.984 0.0 -919.55 Vm 37.5 # Gases... CO2(g) CO2 = CO2 - -log_k -1.468 + -log_k -1.468 -delta_h -4.776 kcal - -analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5 - -T_c 304.2 # critical T, K - -P_c 72.86 # critical P, atm + -analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5 + -T_c 304.2 # critical T, K + -P_c 72.86 # critical P, atm -Omega 0.225 # acentric factor H2O(g) H2O = H2O - -log_k 1.506; delta_h -44.03 kJ - -T_c 647.3; -P_c 217.60; -Omega 0.344 - -analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6 + -log_k 1.506; delta_h -44.03 kJ + -T_c 647.3; -P_c 217.6; -Omega 0.344 + -analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6 O2(g) O2 = O2 - -log_k -2.8983 - -analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5 - -T_c 154.6; -P_c 49.80; -Omega 0.021 + -log_k -2.8983 + -analytic -7.5001 7.8981e-3 0 0 2.0027e5 + -T_c 154.6; -P_c 49.8; -Omega 0.021 H2(g) H2 = H2 - -log_k -3.1050 - -delta_h -4.184 kJ - -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 - -T_c 33.2; -P_c 12.80; -Omega -0.225 + -log_k -3.105 + -delta_h -4.184 kJ + -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 + -T_c 33.2; -P_c 12.8; -Omega -0.225 N2(g) N2 = N2 - -log_k -3.1864 - -analytic -58.453 1.818e-3 3199 17.909 -27460 - -T_c 126.2; -P_c 33.50; -Omega 0.039 + -log_k -3.1864 + -analytic -58.453 1.818e-3 3199 17.909 -27460 + -T_c 126.2; -P_c 33.5; -Omega 0.039 H2S(g) - H2S = H+ + HS- - log_k -7.93 - -delta_h 9.1 - -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 - -T_c 373.2; -P_c 88.20; -Omega 0.1 + H2S = H+ + HS- + log_k -7.93 + -delta_h 9.1 + -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 + -T_c 373.2; -P_c 88.2; -Omega 0.1 CH4(g) CH4 = CH4 -log_k -2.8 - -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C - -T_c 190.6 ; -P_c 45.40 ; -Omega 0.008 + -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C + -T_c 190.6; -P_c 45.4; -Omega 0.008 #Amm(g) # Amm = Amm NH3(g) NH3 = NH3 - -log_k 1.7966 - -analytic -18.758 3.3670e-4 2.5113e3 4.8619 39.192 - -T_c 405.6; -P_c 111.3; -Omega 0.25 + -log_k 1.7966 + -analytic -18.758 3.367e-4 2.5113e3 4.8619 39.192 + -T_c 405.6; -P_c 111.3; -Omega 0.25 # redox-uncoupled gases Oxg(g) Oxg = Oxg - -analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5 - -T_c 154.6 ; -P_c 49.80 ; -Omega 0.021 + -analytic -7.5001 7.8981e-3 0 0 2.0027e5 + -T_c 154.6; -P_c 49.8; -Omega 0.021 Hdg(g) Hdg = Hdg - -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 - -T_c 33.2 ; -P_c 12.80 ; -Omega -0.225 + -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 + -T_c 33.2; -P_c 12.8; -Omega -0.225 Ntg(g) Ntg = Ntg - -analytic -58.453 1.81800e-3 3199 17.909 -27460 - T_c 126.2 ; -P_c 33.50 ; -Omega 0.039 + -analytic -58.453 1.818e-3 3199 17.909 -27460 + T_c 126.2; -P_c 33.5; -Omega 0.039 Mtg(g) Mtg = Mtg -log_k -2.8 - -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C - -T_c 190.6 ; -P_c 45.40 ; -Omega 0.008 + -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C + -T_c 190.6; -P_c 45.4; -Omega 0.008 H2Sg(g) - H2Sg = H+ + HSg- - log_k -7.93 - -delta_h 9.1 - -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 - -T_c 373.2 ; -P_c 88.20 ; -Omega 0.1 + H2Sg = H+ + HSg- + log_k -7.93 + -delta_h 9.1 + -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 + -T_c 373.2; -P_c 88.2; -Omega 0.1 Melanterite FeSO4:7H2O = 7 H2O + Fe+2 + SO4-2 - -log_k -2.209 - -delta_h 4.910 kcal - -analytic 1.447 -0.004153 0.0 0.0 -214949.0 + -log_k -2.209 + -delta_h 4.91 kcal + -analytic 1.447 -0.004153 0 0 -214949 Alunite - KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6H2O - -log_k -1.4 - -delta_h -50.250 kcal + KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O + -log_k -1.4 + -delta_h -50.25 kcal Jarosite-K KFe3(SO4)2(OH)6 + 6 H+ = 3 Fe+3 + 6 H2O + K+ + 2 SO4-2 - -log_k -9.21 - -delta_h -31.280 kcal + -log_k -9.21 + -delta_h -31.28 kcal Zn(OH)2(e) Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O - -log_k 11.5 + -log_k 11.5 Smithsonite ZnCO3 = Zn+2 + CO3-2 - -log_k -10.0 - -delta_h -4.36 kcal + -log_k -10 + -delta_h -4.36 kcal Sphalerite ZnS + H+ = Zn+2 + HS- - -log_k -11.618 - -delta_h 8.250 kcal -Willemite 289 - Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4 - -log_k 15.33 + -log_k -11.618 + -delta_h 8.25 kcal +Willemite 289 + Zn2SiO4 + 4 H+ = 2 Zn+2 + H4SiO4 + -log_k 15.33 -delta_h -33.37 kcal Cd(OH)2 Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O - -log_k 13.65 + -log_k 13.65 Otavite 315 CdCO3 = Cd+2 + CO3-2 - -log_k -12.1 + -log_k -12.1 -delta_h -0.019 kcal -CdSiO3 328 - CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4 - -log_k 9.06 +CdSiO3 328 + CdSiO3 + H2O + 2 H+ = Cd+2 + H4SiO4 + -log_k 9.06 -delta_h -16.63 kcal -CdSO4 329 +CdSO4 329 CdSO4 = Cd+2 + SO4-2 - -log_k -0.1 + -log_k -0.1 -delta_h -14.74 kcal -Cerussite 365 +Cerussite 365 PbCO3 = Pb+2 + CO3-2 - -log_k -13.13 - -delta_h 4.86 kcal -Anglesite 384 + -log_k -13.13 + -delta_h 4.86 kcal +Anglesite 384 PbSO4 = Pb+2 + SO4-2 - -log_k -7.79 - -delta_h 2.15 kcal + -log_k -7.79 + -delta_h 2.15 kcal Pb(OH)2 389 - Pb(OH)2 + 2H+ = Pb+2 + 2H2O - -log_k 8.15 + Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O + -log_k 8.15 -delta_h -13.99 kcal EXCHANGE_MASTER_SPECIES - X X- + X X- EXCHANGE_SPECIES X- = X- - -log_k 0.0 + -log_k 0 Na+ + X- = NaX - -log_k 0.0 - -gamma 4.08 0.082 + -log_k 0 + -gamma 4.08 0.082 K+ + X- = KX - -log_k 0.7 - -gamma 3.5 0.015 - -delta_h -4.3 # Jardine & Sparks, 1984 + -log_k 0.7 + -gamma 3.5 0.015 + -delta_h -4.3 # Jardine & Sparks, 1984 Li+ + X- = LiX - -log_k -0.08 - -gamma 6.0 0 - -delta_h 1.4 # Merriam & Thomas, 1956 + -log_k -0.08 + -gamma 6 0 + -delta_h 1.4 # Merriam & Thomas, 1956 # !!!!! # H+ + X- = HX @@ -1355,65 +1359,65 @@ EXCHANGE_SPECIES # AmmH+ + X- = AmmHX NH4+ + X- = NH4X - -log_k 0.6 - -gamma 2.5 0 - -delta_h -2.4 # Laudelout et al., 1968 - - Ca+2 + 2X- = CaX2 - -log_k 0.8 - -gamma 5.0 0.165 - -delta_h 7.2 # Van Bladel & Gheyl, 1980 - - Mg+2 + 2X- = MgX2 - -log_k 0.6 - -gamma 5.5 0.2 - -delta_h 7.4 # Laudelout et al., 1968 - - Sr+2 + 2X- = SrX2 - -log_k 0.91 - -gamma 5.26 0.121 - -delta_h 5.5 # Laudelout et al., 1968 - - Ba+2 + 2X- = BaX2 - -log_k 0.91 - -gamma 4.0 0.153 - -delta_h 4.5 # Laudelout et al., 1968 - - Mn+2 + 2X- = MnX2 - -log_k 0.52 - -gamma 6.0 0 - - Fe+2 + 2X- = FeX2 - -log_k 0.44 - -gamma 6.0 0 - - Cu+2 + 2X- = CuX2 - -log_k 0.6 - -gamma 6.0 0 - - Zn+2 + 2X- = ZnX2 - -log_k 0.8 - -gamma 5.0 0 - - Cd+2 + 2X- = CdX2 - -log_k 0.8 - -gamma 0.0 0 - - Pb+2 + 2X- = PbX2 - -log_k 1.05 - -gamma 0.0 0 - - Al+3 + 3X- = AlX3 - -log_k 0.41 - -gamma 9.0 0 - - AlOH+2 + 2X- = AlOHX2 - -log_k 0.89 - -gamma 0.0 0 + -log_k 0.6 + -gamma 2.5 0 + -delta_h -2.4 # Laudelout et al., 1968 + + Ca+2 + 2 X- = CaX2 + -log_k 0.8 + -gamma 5 0.165 + -delta_h 7.2 # Van Bladel & Gheyl, 1980 + + Mg+2 + 2 X- = MgX2 + -log_k 0.6 + -gamma 5.5 0.2 + -delta_h 7.4 # Laudelout et al., 1968 + + Sr+2 + 2 X- = SrX2 + -log_k 0.91 + -gamma 5.26 0.121 + -delta_h 5.5 # Laudelout et al., 1968 + + Ba+2 + 2 X- = BaX2 + -log_k 0.91 + -gamma 4 0.153 + -delta_h 4.5 # Laudelout et al., 1968 + + Mn+2 + 2 X- = MnX2 + -log_k 0.52 + -gamma 6 0 + + Fe+2 + 2 X- = FeX2 + -log_k 0.44 + -gamma 6 0 + + Cu+2 + 2 X- = CuX2 + -log_k 0.6 + -gamma 6 0 + + Zn+2 + 2 X- = ZnX2 + -log_k 0.8 + -gamma 5 0 + + Cd+2 + 2 X- = CdX2 + -log_k 0.8 + -gamma 0 0 + + Pb+2 + 2 X- = PbX2 + -log_k 1.05 + -gamma 0 0 + + Al+3 + 3 X- = AlX3 + -log_k 0.41 + -gamma 9 0 + + AlOH+2 + 2 X- = AlOHX2 + -log_k 0.89 + -gamma 0 0 SURFACE_MASTER_SPECIES - Hfo_s Hfo_sOH - Hfo_w Hfo_wOH + Hfo_s Hfo_sOH + Hfo_w Hfo_wOH SURFACE_SPECIES # All surface data from # Dzombak and Morel, 1990 @@ -1424,24 +1428,24 @@ SURFACE_SPECIES # strong binding site--Hfo_s, Hfo_sOH = Hfo_sOH - -log_k 0 + -log_k 0 Hfo_sOH + H+ = Hfo_sOH2+ - -log_k 7.29 # = pKa1,int + -log_k 7.29 # = pKa1,int Hfo_sOH = Hfo_sO- + H+ - -log_k -8.93 # = -pKa2,int + -log_k -8.93 # = -pKa2,int # weak binding site--Hfo_w Hfo_wOH = Hfo_wOH - -log_k 0 + -log_k 0 Hfo_wOH + H+ = Hfo_wOH2+ - -log_k 7.29 # = pKa1,int + -log_k 7.29 # = pKa1,int Hfo_wOH = Hfo_wO- + H+ - -log_k -8.93 # = -pKa2,int + -log_k -8.93 # = -pKa2,int ############################################### # CATIONS # ############################################### @@ -1450,52 +1454,52 @@ SURFACE_SPECIES # # Calcium Hfo_sOH + Ca+2 = Hfo_sOHCa+2 - -log_k 4.97 + -log_k 4.97 Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ -log_k -5.85 # Strontium Hfo_sOH + Sr+2 = Hfo_sOHSr+2 - -log_k 5.01 + -log_k 5.01 Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+ -log_k -6.58 - Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+ + Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+ -log_k -17.6 # Barium Hfo_sOH + Ba+2 = Hfo_sOHBa+2 - -log_k 5.46 + -log_k 5.46 Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+ - -log_k -7.2 # table 10.5 + -log_k -7.2 # table 10.5 # # Cations from table 10.2 # # Cadmium Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+ - -log_k 0.47 + -log_k 0.47 Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+ - -log_k -2.91 + -log_k -2.91 # Zinc Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+ - -log_k 0.99 + -log_k 0.99 Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+ - -log_k -1.99 + -log_k -1.99 # Copper Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+ - -log_k 2.89 + -log_k 2.89 Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+ - -log_k 0.6 # table 10.5 + -log_k 0.6 # table 10.5 # Lead Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+ - -log_k 4.65 + -log_k 4.65 Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+ - -log_k 0.3 # table 10.5 + -log_k 0.3 # table 10.5 # # Derived constants table 10.5 # @@ -1504,18 +1508,18 @@ SURFACE_SPECIES -log_k -4.6 # Manganese Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+ - -log_k -0.4 # table 10.5 + -log_k -0.4 # table 10.5 Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+ - -log_k -3.5 # table 10.5 + -log_k -3.5 # table 10.5 # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, EST 36, 3096 Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ - -log_k -0.95 + -log_k -0.95 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+ -log_k -2.98 - Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+ + Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2 H+ -log_k -11.55 ############################################### # ANIONS # @@ -1524,51 +1528,51 @@ SURFACE_SPECIES # Anions from table 10.6 # # Phosphate - Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O - -log_k 31.29 + Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O + -log_k 31.29 - Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O - -log_k 25.39 + Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O + -log_k 25.39 Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O - -log_k 17.72 + -log_k 17.72 # # Anions from table 10.7 # # Borate Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O - -log_k 0.62 + -log_k 0.62 # # Anions from table 10.8 # # Sulfate Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O - -log_k 7.78 + -log_k 7.78 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 - -log_k 0.79 + -log_k 0.79 # # Derived constants table 10.10 # Hfo_wOH + F- + H+ = Hfo_wF + H2O - -log_k 8.7 + -log_k 8.7 Hfo_wOH + F- = Hfo_wOHF- - -log_k 1.6 + -log_k 1.6 # # Carbonate: Van Geen et al., 1994 reoptimized for D&M model # Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O - -log_k 12.56 + -log_k 12.56 - Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O - -log_k 20.62 + Hfo_wOH + CO3-2 + 2 H+ = Hfo_wHCO3 + H2O + -log_k 20.62 # # Silicate: Swedlund, P.J. and Webster, J.G., 1999. Water Research 33, 3413-3422. # - Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O ; log_K 4.28 - Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O ; log_K -3.22 - Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2H+ + H2O ; log_K -11.69 + Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O ; log_K 4.28 + Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O; log_K -3.22 + Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2 H+ + H2O; log_K -11.69 MEAN_GAMMAS CaCl2 Ca+2 1 Cl- 2 @@ -1610,15 +1614,15 @@ RATES Quartz -start -1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683 -2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol -3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259) -4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz -5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35 +1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683 +2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol +3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259) +4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz +5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35 10 dif_temp = 1/TK - 1/298 20 pk_w = 13.7 + 4700.4 * dif_temp -40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz")) +40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz")) # Integrate... 50 SAVE moles * TIME -end @@ -1663,38 +1667,38 @@ Quartz K-feldspar -start -1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 -2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar -3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) -5 REM K-Feldspar parameters -10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 -20 RESTORE 10 -30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH -40 DATA 3500, 2000, 2500, 2000 -50 RESTORE 40 -60 READ e_H, e_H2O, e_OH, e_CO2 -70 pk_CO2 = 13 -80 n_CO2 = 0.6 +1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 +2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar +3 REM PARM(2) = Adjusts lab rate to field rate +4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +5 REM K-Feldspar parameters +10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 +20 RESTORE 10 +30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH +40 DATA 3500, 2000, 2500, 2000 +50 RESTORE 40 +60 READ e_H, e_H2O, e_OH, e_CO2 +70 pk_CO2 = 13 +80 n_CO2 = 0.6 100 REM Generic rate follows 110 dif_temp = 1/TK - 1/281 -120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") +120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") 130 REM rate by H+ -140 pk_H = pk_H + e_H * dif_temp -150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) +140 pk_H = pk_H + e_H * dif_temp +150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) 160 REM rate by hydrolysis -170 pk_H2O = pk_H2O + e_H2O * dif_temp +170 pk_H2O = pk_H2O + e_H2O * dif_temp 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC) 190 REM rate by OH- -200 pk_OH = pk_OH + e_OH * dif_temp -210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH +200 pk_OH = pk_OH + e_OH * dif_temp +210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH 220 REM rate by CO2 -230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp +230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2 -250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 -260 area = PARM(1) * M0 *(M/M0)^0.67 -270 rate = PARM(2) * area * rate * (1-SR("K-feldspar")) -280 moles = rate * TIME +250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 +260 area = PARM(1) * M0 *(M/M0)^0.67 +270 rate = PARM(2) * area * rate * (1-SR("K-feldspar")) +280 moles = rate * TIME 290 SAVE moles -end @@ -1738,38 +1742,38 @@ K-feldspar Albite -start -1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 -2 REM PARM(1) = Specific area of Albite m^2/mol Albite -3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) -5 REM Albite parameters -10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3 -20 RESTORE 10 -30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH -40 DATA 3500, 2000, 2500, 2000 -50 RESTORE 40 -60 READ e_H, e_H2O, e_OH, e_CO2 -70 pk_CO2 = 13 -80 n_CO2 = 0.6 +1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 +2 REM PARM(1) = Specific area of Albite m^2/mol Albite +3 REM PARM(2) = Adjusts lab rate to field rate +4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +5 REM Albite parameters +10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3 +20 RESTORE 10 +30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH +40 DATA 3500, 2000, 2500, 2000 +50 RESTORE 40 +60 READ e_H, e_H2O, e_OH, e_CO2 +70 pk_CO2 = 13 +80 n_CO2 = 0.6 100 REM Generic rate follows 110 dif_temp = 1/TK - 1/281 -120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") +120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") 130 REM rate by H+ -140 pk_H = pk_H + e_H * dif_temp -150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) +140 pk_H = pk_H + e_H * dif_temp +150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) 160 REM rate by hydrolysis -170 pk_H2O = pk_H2O + e_H2O * dif_temp +170 pk_H2O = pk_H2O + e_H2O * dif_temp 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC) 190 REM rate by OH- -200 pk_OH = pk_OH + e_OH * dif_temp -210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH +200 pk_OH = pk_OH + e_OH * dif_temp +210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH 220 REM rate by CO2 -230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp +230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2 -250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 -260 area = PARM(1) * M0 *(M/M0)^0.67 -270 rate = PARM(2) * area * rate * (1-SR("Albite")) -280 moles = rate * TIME +250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 +260 area = PARM(1) * M0 *(M/M0)^0.67 +270 rate = PARM(2) * area * rate * (1-SR("Albite")) +280 moles = rate * TIME 290 SAVE moles -end @@ -1777,7 +1781,7 @@ Albite #Calcite ######## # Example of KINETICS data block for calcite rate, -# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257. +# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257 # KINETICS 1 # Calcite # -tol 1e-8 @@ -1788,16 +1792,16 @@ Albite Calcite -start -1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite -2 REM PARM(2) = exponent for M/M0 - -10 si_cc = SI("Calcite") -20 IF (M <= 0 and si_cc < 0) THEN GOTO 200 -30 k1 = 10^(0.198 - 444.0 / TK ) -40 k2 = 10^(2.84 - 2177.0 /TK ) -50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK) -60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK ) -80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M +1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite +2 REM PARM(2) = exponent for M/M0 + +10 si_cc = SI("Calcite") +20 IF (M <= 0 and si_cc < 0) THEN GOTO 200 +30 k1 = 10^(0.198 - 444 / TK ) +40 k2 = 10^(2.84 - 2177 /TK ) +50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317 / TK) +60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737 / TK ) +80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M 110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O")) 120 rate = rate * (1 - 10^(2/3*si_cc)) 130 moles = rate * 0.001 * TIME # convert from mmol to mol @@ -1822,18 +1826,18 @@ Calcite # -time 1 day in 10 Pyrite -start -1 REM Williamson and Rimstidt, 1994 -2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite) -3 REM PARM(2) = exp for (M/M0) -4 REM PARM(3) = exp for O2 -5 REM PARM(4) = exp for H+ - -10 REM Dissolution in presence of DO -20 if (M <= 0) THEN GOTO 200 -30 if (SI("Pyrite") >= 0) THEN GOTO 200 -40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+") -50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0) -60 moles = 10^(log_area + log_rate) * TIME +1 REM Williamson and Rimstidt, 1994 +2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite) +3 REM PARM(2) = exp for (M/M0) +4 REM PARM(3) = exp for O2 +5 REM PARM(4) = exp for H+ + +10 REM Dissolution in presence of DO +20 if (M <= 0) THEN GOTO 200 +30 if (SI("Pyrite") >= 0) THEN GOTO 200 +40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+") +50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0) +60 moles = 10^(log_area + log_rate) * TIME 200 SAVE moles -end @@ -1850,19 +1854,19 @@ Pyrite # -time 30 year in 15 Organic_C -start -1 REM Additive Monod kinetics for SOC (sediment organic carbon) -2 REM Electron acceptors: O2, NO3, and SO4 - -10 if (M <= 0) THEN GOTO 200 -20 mO2 = MOL("O2") -30 mNO3 = TOT("N(5)") -40 mSO4 = TOT("S(6)") -50 k_O2 = 1.57e-9 # 1/sec -60 k_NO3 = 1.67e-11 # 1/sec -70 k_SO4 = 1.e-13 # 1/sec -80 rate = k_O2 * mO2/(2.94e-4 + mO2) -90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3) -100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4) +1 REM Additive Monod kinetics for SOC (sediment organic carbon) +2 REM Electron acceptors: O2, NO3, and SO4 + +10 if (M <= 0) THEN GOTO 200 +20 mO2 = MOL("O2") +30 mNO3 = TOT("N(5)") +40 mSO4 = TOT("S(6)") +50 k_O2 = 1.57e-9 # 1/sec +60 k_NO3 = 1.67e-11 # 1/sec +70 k_SO4 = 1.e-13 # 1/sec +80 rate = k_O2 * mO2/(2.94e-4 + mO2) +90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3) +100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4) 110 moles = rate * M * (M/M0) * TIME 200 SAVE moles -end @@ -1883,14 +1887,14 @@ Organic_C # -time 0.5 day in 10 Pyrolusite -start -10 if (M <= 0) THEN GOTO 200 -20 sr_pl = SR("Pyrolusite") -30 if (sr_pl > 1) THEN GOTO 100 -40 REM sr_pl <= 1, undersaturated -50 Fe_t = TOT("Fe(2)") -60 if Fe_t < 1e-8 then goto 200 -70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl) -80 GOTO 200 +10 if (M <= 0) THEN GOTO 200 +20 sr_pl = SR("Pyrolusite") +30 if (sr_pl > 1) THEN GOTO 100 +40 REM sr_pl <= 1, undersaturated +50 Fe_t = TOT("Fe(2)") +60 if Fe_t < 1e-8 then goto 200 +70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl) +80 GOTO 200 100 REM sr_pl > 1, supersaturated 110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME 200 SAVE moles * SOLN_VOL @@ -1898,11 +1902,11 @@ Pyrolusite END # ============================================================================================= -#(a) means amorphous. (d) means disordered, or less crystalline. -#(14A) refers to 14 angstrom spacing of clay planes. FeS(ppt), -#precipitated, indicates an initial precipitate that is less crystalline. +#(a) means amorphous. (d) means disordered, or less crystalline. +#(14A) refers to 14 angstrom spacing of clay planes. FeS(ppt), +#precipitated, indicates an initial precipitate that is less crystalline. #Zn(OH)2(e) indicates a specific crystal form, epsilon. -# ============================================================================================= +# ============================================================================================= # For the reaction aA + bB = cC + dD, # with delta_v = c*Vm(C) + d*Vm(D) - a*Vm(A) - b*Vm(B), # PHREEQC adds the pressure term to log_k: -= delta_v * (P - 1) / (2.3RT). diff --git a/database/phreeqc_rates.dat b/database/phreeqc_rates.dat index 6dfc1de97..96df4d413 100644 --- a/database/phreeqc_rates.dat +++ b/database/phreeqc_rates.dat @@ -1,3 +1,7 @@ +# File 1 = C:\GitPrograms\phreeqc3-1\database\phreeqc_rates.dat, 16/05/2024 09:28, 3160 lines, 110660 bytes, md5=d5a6c0cc3a36342ad14ea953f26a23ec +# Created 17 May 2024 14:30:43 +# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "phreeqc_rates.dat" + # PHREEQC.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution. Augmented with kinetic rates for minerals from compilations. Based on: # diffusion coefficients and molal volumina of aqueous species, solubility and volume of minerals, and critical temperatures and pressures of gases in Peng-Robinson's EOS. # Details are given at the end of this file. @@ -6,64 +10,64 @@ SOLUTION_MASTER_SPECIES # #element species alk gfw_formula element_gfw # -H H+ -1.0 H 1.008 -H(0) H2 0 H -H(1) H+ -1.0 H -E e- 0 0 0 -O H2O 0 O 16.0 -O(0) O2 0 O -O(-2) H2O 0 0 -Ca Ca+2 0 Ca 40.08 -Mg Mg+2 0 Mg 24.312 -Na Na+ 0 Na 22.9898 -K K+ 0 K 39.102 -Fe Fe+2 0 Fe 55.847 -Fe(+2) Fe+2 0 Fe -Fe(+3) Fe+3 -2.0 Fe -Mn Mn+2 0 Mn 54.938 -Mn(+2) Mn+2 0 Mn -Mn(+3) Mn+3 0 Mn -Al Al+3 0 Al 26.9815 -Ba Ba+2 0 Ba 137.34 -Sr Sr+2 0 Sr 87.62 -Si H4SiO4 0 SiO2 28.0843 -Cl Cl- 0 Cl 35.453 -C CO3-2 2.0 HCO3 12.0111 -C(+4) CO3-2 2.0 HCO3 -C(-4) CH4 0 CH4 -Alkalinity CO3-2 1.0 Ca0.5(CO3)0.5 50.05 -S SO4-2 0 SO4 32.064 -S(6) SO4-2 0 SO4 -S(-2) HS- 1.0 S -N NO3- 0 N 14.0067 -N(+5) NO3- 0 N -N(+3) NO2- 0 N -N(0) N2 0 N -N(-3) NH4+ 0 N 14.0067 -#Amm AmmH+ 0 AmmH 17.031 -B H3BO3 0 B 10.81 -P PO4-3 2.0 P 30.9738 -F F- 0 F 18.9984 -Li Li+ 0 Li 6.939 -Br Br- 0 Br 79.904 -Zn Zn+2 0 Zn 65.37 -Cd Cd+2 0 Cd 112.4 -Pb Pb+2 0 Pb 207.19 -Cu Cu+2 0 Cu 63.546 -Cu(+2) Cu+2 0 Cu -Cu(+1) Cu+1 0 Cu -# redox-uncoupled gases -Hdg Hdg 0 Hdg 2.016 # H2 gas -Oxg Oxg 0 Oxg 32 # O2 gas -Mtg Mtg 0 Mtg 16.032 # CH4 gas -Sg H2Sg 0.0 H2Sg 32.064 # H2S gas -Ntg Ntg 0 Ntg 28.0134 # N2 gas - +H H+ -1 H 1.008 +H(0) H2 0 H +H(1) H+ -1 H +E e- 1 0 0 +O H2O 0 O 16 +O(0) O2 0 O +O(-2) H2O 0 0 +Ca Ca+2 0 Ca 40.08 +Mg Mg+2 0 Mg 24.312 +Na Na+ 0 Na 22.9898 +K K+ 0 K 39.102 +Fe Fe+2 0 Fe 55.847 +Fe(+2) Fe+2 0 Fe +Fe(+3) Fe+3 -2 Fe +Mn Mn+2 0 Mn 54.938 +Mn(+2) Mn+2 0 Mn +Mn(+3) Mn+3 0 Mn +Al Al+3 0 Al 26.9815 +Ba Ba+2 0 Ba 137.34 +Sr Sr+2 0 Sr 87.62 +Si H4SiO4 0 SiO2 28.0843 +Cl Cl- 0 Cl 35.453 +C CO3-2 2 HCO3 12.0111 +C(+4) CO3-2 2 HCO3 +C(-4) CH4 0 CH4 +Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05 +S SO4-2 0 SO4 32.064 +S(6) SO4-2 0 SO4 +S(-2) HS- 1 S +N NO3- 0 N 14.0067 +N(+5) NO3- 0 N +N(+3) NO2- 0 N +N(0) N2 0 N +N(-3) NH4+ 0 N 14.0067 +#Amm AmmH+ 0 AmmH 17.031 +B H3BO3 0 B 10.81 +P PO4-3 2 P 30.9738 +F F- 0 F 18.9984 +Li Li+ 0 Li 6.939 +Br Br- 0 Br 79.904 +Zn Zn+2 0 Zn 65.37 +Cd Cd+2 0 Cd 112.4 +Pb Pb+2 0 Pb 207.19 +Cu Cu+2 0 Cu 63.546 +Cu(+2) Cu+2 0 Cu +Cu(+1) Cu+1 0 Cu +# redox-uncoupled gases +Hdg Hdg 0 Hdg 2.016 # H2 gas +Oxg Oxg 0 Oxg 32 # O2 gas +Mtg Mtg 0 Mtg 16.032 # CH4 gas +Sg H2Sg 0 H2Sg 32.064 # H2S gas +Ntg Ntg 0 Ntg 28.0134 # N2 gas + SOLUTION_SPECIES H+ = H+ - -gamma 9.0 0 - -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570 # for viscosity parameters see ref. 4 - -dw 9.31e-9 838 16.315 0 2.376 24.01 0 + -gamma 9 0 + -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.57 # for viscosity parameters see ref. 4 + -dw 9.31e-9 838 16.315 0 2.376 24.01 0 # Dw(25 C) dw_T a a2 visc a3 a_v_dif # Dw(TK) = 9.31e-9 * exp(838 / TK - 838 / 298.15) * viscos_0_25 / viscos_0_tc # a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif @@ -76,243 +80,243 @@ H+ = H+ # If a_v_dif <> 0, Dw(TK) *= (viscos_0_tc / viscos)^a_v_dif in TRANSPORT. e- = e- H2O = H2O - -dw 2.299e-9 -254 + -dw 2.299e-9 -254 # H2O + 0.01e- = H2O-0.01; -log_k -9 # aids convergence Li+ = Li+ - -gamma 6.0 0 # The apparent volume parameters are defined in ref. 1 & 2 - -Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138 - -viscosity 0.162 -2.45e-2 3.73e-2 9.7e-4 8.1e-4 2.087 # < 10 M LiCl - -dw 1.03e-9 -14 4.03 0.8341 1.679 + -gamma 6 0 # The apparent volume parameters are defined in ref. 1 & 2 + -Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # ref. 2 and Ellis, 1968, J. Chem. Soc. A, 1138 + -viscosity 0.162 -2.45e-2 3.73e-2 9.7e-4 8.1e-4 2.087 # < 10 M LiCl + -dw 1.03e-9 -14 4.03 0.8341 1.679 Na+ = Na+ - -gamma 4.0 0.075 - -gamma 4.08 0.082 # halite solubility - -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 + -gamma 4 0.075 + -gamma 4.08 0.082 # halite solubility + -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 # -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.45 # for densities (rho) when I > 3. - -viscosity 0.1387 -8.66e-2 1.25e-2 1.45e-2 7.5e-3 1.062 - -dw 1.33e-9 75 3.627 0 0.7037 + -viscosity 0.1387 -8.66e-2 1.25e-2 1.45e-2 7.5e-3 1.062 + -dw 1.33e-9 75 3.627 0 0.7037 K+ = K+ - -gamma 3.5 0.015 - -Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 - -viscosity 0.116 -0.191 1.52e-2 1.40e-2 2.59e-2 0.9028 - -dw 1.96e-9 254 3.484 0 0.1964 + -gamma 3.5 0.015 + -Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 + -viscosity 0.116 -0.191 1.52e-2 1.4e-2 2.59e-2 0.9028 + -dw 1.96e-9 254 3.484 0 0.1964 Mg+2 = Mg+2 - -gamma 5.5 0.20 - -Vm -1.410 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 - -viscosity 0.426 0 0 1.66e-3 4.32e-3 2.461 - -dw 0.705e-9 -4 5.569 0 1.047 + -gamma 5.5 0.2 + -Vm -1.41 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 + -viscosity 0.426 0 0 1.66e-3 4.32e-3 2.461 + -dw 0.705e-9 -4 5.569 0 1.047 Ca+2 = Ca+2 - -gamma 5.0 0.1650 - -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.60 -57.1 -6.12e-3 1 - -viscosity 0.359 -0.158 4.2e-2 1.5e-3 8.04e-3 2.30 # ref. 4, CaCl2 < 6 M - -dw 0.792e-9 34 5.411 0 1.046 + -gamma 5 0.165 + -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.6 -57.1 -6.12e-3 1 + -viscosity 0.359 -0.158 4.2e-2 1.5e-3 8.04e-3 2.3 # ref. 4, CaCl2 < 6 M + -dw 0.792e-9 34 5.411 0 1.046 Sr+2 = Sr+2 - -gamma 5.260 0.121 - -Vm -1.57e-2 -10.15 10.18 -2.36 0.860 5.26 0.859 -27.0 -4.1e-3 1.97 - -viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876 - -dw 0.794e-9 160 0.680 0.767 1e-9 0.912 + -gamma 5.26 0.121 + -Vm -1.57e-2 -10.15 10.18 -2.36 0.86 5.26 0.859 -27 -4.1e-3 1.97 + -viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876 + -dw 0.794e-9 160 0.68 0.767 1e-9 0.912 Ba+2 = Ba+2 - -gamma 5.0 0 - -gamma 4.0 0.153 # Barite solubility - -Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1 - -viscosity 0.338 -0.227 1.39e-2 3.07e-2 0 0.768 - -dw 0.848e-9 174 10.53 0 3.0 + -gamma 5 0 + -gamma 4 0.153 # Barite solubility + -Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1 + -viscosity 0.338 -0.227 1.39e-2 3.07e-2 0 0.768 + -dw 0.848e-9 174 10.53 0 3 Fe+2 = Fe+2 - -gamma 6.0 0 - -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 - -dw 0.719e-9 + -gamma 6 0 + -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 + -dw 0.719e-9 Mn+2 = Mn+2 - -gamma 6.0 0 - -Vm -1.10 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 - -dw 0.688e-9 + -gamma 6 0 + -Vm -1.1 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 + -dw 0.688e-9 Al+3 = Al+3 - -gamma 9.0 0 - -Vm -2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353. - -dw 0.559e-9 + -gamma 9 0 + -Vm -2.28 -17.1 10.9 -2.07 2.87 9 0 0 5.5e-3 1 # ref. 2 and Barta and Hepler, 1986, Can. J.C. 64, 353 + -dw 0.559e-9 H4SiO4 = H4SiO4 - -Vm 10.5 1.7 20 -2.7 0.1291 # supcrt + 2*H2O in a1 - -dw 1.10e-9 + -Vm 10.5 1.7 20 -2.7 0.1291 # supcrt 2*H2O in a1 + -dw 1.1e-9 Cl- = Cl- - -gamma 3.5 0.015 - -gamma 3.63 0.017 # cf. pitzer.dat - -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 - -viscosity 0 0 0 0 0 0 1 # the reference solute - -dw 2.033e-9 216 3.160 0.2071 0.7432 + -gamma 3.5 0.015 + -gamma 3.63 0.017 # cf. pitzer.dat + -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 + -viscosity 0 0 0 0 0 0 1 # the reference solute + -dw 2.033e-9 216 3.16 0.2071 0.7432 CO3-2 = CO3-2 - -gamma 5.4 0 - -Vm 6.09 -2.78 -0.405 -5.30 5.02 0 0.169 101 -1.38e-2 0.9316 - -viscosity -0.5 0.6521 5.44e-3 1.06e-3 -2.18e-2 1.208 -2.147 - -dw 0.955e-9 -103 2.246 7.13e-2 0.3686 + -gamma 5.4 0 + -Vm 6.09 -2.78 -0.405 -5.3 5.02 0 0.169 101 -1.38e-2 0.9316 + -viscosity -0.5 0.6521 5.44e-3 1.06e-3 -2.18e-2 1.208 -2.147 + -dw 0.955e-9 -103 2.246 7.13e-2 0.3686 SO4-2 = SO4-2 - -gamma 5.0 -0.04 - -Vm -7.77 43.17 176 -51.45 3.794 0 42.99 -541 -0.145 0.45 # with analytical_expressions for log K of NaSO4-, KSO4- & MgSO4, 0 - 200 oC - -viscosity -0.30 0.501 2.57e-3 0.195 3.14e-2 2.015 0.605 - -dw 1.07e-9 -114 17 6.02e-2 4.94e-2 + -gamma 5 -0.04 + -Vm -7.77 43.17 176 -51.45 3.794 0 42.99 -541 -0.145 0.45 # with analytical_expressions for log K of NaSO4-, KSO4- & MgSO4, 0 - 200 oC + -viscosity -0.3 0.501 2.57e-3 0.195 3.14e-2 2.015 0.605 + -dw 1.07e-9 -114 17 6.02e-2 4.94e-2 NO3- = NO3- - -gamma 3.0 0 - -Vm 6.32 6.78 0 -3.06 0.346 0 0.93 0 -0.012 1 - -viscosity 8.37e-2 -0.458 1.54e-2 0.340 1.79e-2 5.02e-2 0.7381 - -dw 1.90e-9 104 1.11 + -gamma 3 0 + -Vm 6.32 6.78 0 -3.06 0.346 0 0.93 0 -0.012 1 + -viscosity 8.37e-2 -0.458 1.54e-2 0.34 1.79e-2 5.02e-2 0.7381 + -dw 1.9e-9 104 1.11 #AmmH+ = AmmH+ # -gamma 2.5 0 # -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 # -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 # -dw 1.98e-9 178 3.747 0 1.220 H3BO3 = H3BO3 - -Vm 7.0643 8.8547 3.5844 -3.1451 -0.20 # supcrt - -dw 1.1e-9 + -Vm 7.0643 8.8547 3.5844 -3.1451 -0.2 # supcrt + -dw 1.1e-9 PO4-3 = PO4-3 - -gamma 4.0 0 - -Vm 1.24 -9.07 9.31 -2.4 5.61 0 0 0 -1.41e-2 1 - -dw 0.612e-9 + -gamma 4 0 + -Vm 1.24 -9.07 9.31 -2.4 5.61 0 0 0 -1.41e-2 1 + -dw 0.612e-9 F- = F- - -gamma 3.5 0 - -Vm 0.928 1.36 6.27 -2.84 1.84 0 0 -0.318 0 1 - -viscosity 0 2.85e-2 1.35e-2 6.11e-2 4.38e-3 1.384 0.586 - -dw 1.46e-9 -36 4.352 + -gamma 3.5 0 + -Vm 0.928 1.36 6.27 -2.84 1.84 0 0 -0.318 0 1 + -viscosity 0 2.85e-2 1.35e-2 6.11e-2 4.38e-3 1.384 0.586 + -dw 1.46e-9 -36 4.352 Br- = Br- - -gamma 3.0 0 - -Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1 - -viscosity -1.15e-2 -5.75e-2 5.72e-2 1.46e-2 0.116 0.9295 0.820 - -dw 2.01e-9 139 2.94 0 1.304 + -gamma 3 0 + -Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1 + -viscosity -1.15e-2 -5.75e-2 5.72e-2 1.46e-2 0.116 0.9295 0.82 + -dw 2.01e-9 139 2.94 0 1.304 Zn+2 = Zn+2 - -gamma 5.0 0 - -Vm -1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11 - -dw 0.715e-9 + -gamma 5 0 + -Vm -1.96 -10.4 14.3 -2.35 1.46 5 -1.43 24 1.67e-2 1.11 + -dw 0.715e-9 Cd+2 = Cd+2 - -Vm 1.63 -10.7 1.01 -2.34 1.47 5 0 0 0 1 - -dw 0.717e-9 + -Vm 1.63 -10.7 1.01 -2.34 1.47 5 0 0 0 1 + -dw 0.717e-9 Pb+2 = Pb+2 - -Vm -0.0051 -7.7939 8.8134 -2.4568 1.0788 4.5 # supcrt - -dw 0.945e-9 + -Vm -0.0051 -7.7939 8.8134 -2.4568 1.0788 4.5 # supcrt + -dw 0.945e-9 Cu+2 = Cu+2 - -gamma 6.0 0 - -Vm -1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1 - -dw 0.733e-9 + -gamma 6 0 + -Vm -1.13 -10.5 7.29 -2.35 1.61 6 9.78e-2 0 3.42e-3 1 + -dw 0.733e-9 # redox-uncoupled gases Hdg = Hdg # H2 - -Vm 6.52 0.78 0.12 # supcrt - -dw 5.13e-9 + -Vm 6.52 0.78 0.12 # supcrt + -dw 5.13e-9 Oxg = Oxg # O2 - -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt - -dw 2.35e-9 + -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt + -dw 2.35e-9 Mtg = Mtg # CH4 - -Vm 9.01 -1.11 0 -1.85 -1.50 # Hnedkovsky et al., 1996, JCT 28, 125 - -dw 1.85e-9 + -Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 1.85e-9 Ntg = Ntg # N2 - -Vm 7 # Pray et al., 1952, IEC 44. 1146 - -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 + -Vm 7 # Pray et al., 1952, IEC 44 1146 + -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 H2Sg = H2Sg # H2S - -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 - -dw 2.1e-9 + -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 2.1e-9 # aqueous species H2O = OH- + H+ - -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 - -gamma 3.5 0 - -Vm -9.66 28.5 80.0 -22.9 1.89 0 1.09 0 0 1 - -viscosity -1.02e-1 0.189 9.4e-3 -4e-5 0 3.281 -2.053 # < 5 M Li,Na,KOH - -dw 5.27e-9 478 0.8695 + -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 + -gamma 3.5 0 + -Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1 + -viscosity -1.02e-1 0.189 9.4e-3 -4e-5 0 3.281 -2.053 # < 5 M Li,Na,KOH + -dw 5.27e-9 478 0.8695 2 H2O = O2 + 4 H+ + 4 e- - -log_k -86.08 + -log_k -86.08 -delta_h 134.79 kcal - -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt - -dw 2.35e-9 + -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt + -dw 2.35e-9 2 H+ + 2 e- = H2 - -log_k -3.15 + -log_k -3.15 -delta_h -1.759 kcal - -Vm 6.52 0.78 0.12 # supcrt - -dw 5.13e-9 + -Vm 6.52 0.78 0.12 # supcrt + -dw 5.13e-9 H+ + Cl- = HCl - -log_k -0.5 - -analytical_expression 0.334 -2.684e-3 1.015 # from Pitzer.dat, up to 15 M HCl, 0 - 50°C - -gamma 0 0.4256 - -viscosity 0.921 -0.765 8.32e-3 8.25e-4 2.53e-3 4.223 + -log_k -0.5 + -analytical_expression 0.334 -2.684e-3 1.015 # from Pitzer.dat, up to 15 M HCl, 0 - 50°C + -gamma 0 0.4256 + -viscosity 0.921 -0.765 8.32e-3 8.25e-4 2.53e-3 4.223 CO3-2 + H+ = HCO3- - -log_k 10.329; -delta_h -3.561 kcal - -analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9 - -gamma 5.4 0 - -Vm 10.26 -2.92 -12.58 -0.241 2.23 0 -5.49 320 2.83e-2 1.144 - -viscosity -0.6 1.366 -1.216e-2 0e-2 3.139e-2 -1.135 1.253 - -dw 1.18e-9 -190 11.386 + -log_k 10.329; -delta_h -3.561 kcal + -analytic 107.8871 0.03252849 -5151.79 -38.92561 563713.9 + -gamma 5.4 0 + -Vm 10.26 -2.92 -12.58 -0.241 2.23 0 -5.49 320 2.83e-2 1.144 + -viscosity -0.6 1.366 -1.216e-2 0e-2 3.139e-2 -1.135 1.253 + -dw 1.18e-9 -190 11.386 CO3-2 + 2 H+ = CO2 + H2O - -log_k 16.681 + -log_k 16.681 -delta_h -5.738 kcal - -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 - -Vm 7.29 0.92 2.07 -1.23 -1.60 # McBride et al. 2015, JCED 60, 171 - -gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431 - -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 -2CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T - -log_k -1.8 - -analytical_expression 8.68 -0.0103 -2190 - -Vm 14.58 1.84 4.14 -2.46 -3.20 - -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 + -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 + -Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171 + -gamma 0 0.066 # Rumpf et al. 1994, J. Sol. Chem. 23, 431 + -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 +2 CO2 = (CO2)2 # activity correction for CO2 solubility at high P, T + -log_k -1.8 + -analytical_expression 8.68 -0.0103 -2190 + -Vm 14.58 1.84 4.14 -2.46 -3.2 + -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O - -log_k 41.071 + -log_k 41.071 -delta_h -61.039 kcal - -Vm 9.01 -1.11 0 -1.85 -1.50 # Hnedkovsky et al., 1996, JCT 28, 125 - -dw 1.85e-9 + -Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 1.85e-9 SO4-2 + H+ = HSO4- - -log_k 1.988; -delta_h 3.85 kcal - -analytic -56.889 0.006473 2307.9 19.8858 - -Vm 8.2 9.2590 2.1108 -3.1618 1.1748 0 -0.3 15 0 1 - -viscosity 0.5 -6.97e-2 6.07e-2 1e-5 -0.1333 0.4865 0.7987 - -dw 1.22e-9 1000 15.0 2.861 + -log_k 1.988; -delta_h 3.85 kcal + -analytic -56.889 0.006473 2307.9 19.8858 + -Vm 8.2 9.259 2.1108 -3.1618 1.1748 0 -0.3 15 0 1 + -viscosity 0.5 -6.97e-2 6.07e-2 1e-5 -0.1333 0.4865 0.7987 + -dw 1.22e-9 1000 15 2.861 HS- = S-2 + H+ - -log_k -12.918 - -delta_h 12.1 kcal - -gamma 5.0 0 - -dw 0.731e-9 + -log_k -12.918 + -delta_h 12.1 kcal + -gamma 5 0 + -dw 0.731e-9 SO4-2 + 9 H+ + 8 e- = HS- + 4 H2O - -log_k 33.65 - -delta_h -60.140 kcal - -gamma 3.5 0 - -Vm 5.0119 4.9799 3.4765 -2.9849 1.4410 # supcrt - -dw 1.73e-9 + -log_k 33.65 + -delta_h -60.14 kcal + -gamma 3.5 0 + -Vm 5.0119 4.9799 3.4765 -2.9849 1.441 # supcrt + -dw 1.73e-9 HS- + H+ = H2S - -log_k 6.994; -delta_h -5.30 kcal - -analytical -11.17 0.02386 3279.0 - -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 - -dw 2.1e-9 -2H2S = (H2S)2 # activity correction for H2S solubility at high P, T - -analytical_expression 10.227 -0.01384 -2200 - -Vm 36.41 -71.95 0 0 2.58 - -dw 2.1e-9 + -log_k 6.994; -delta_h -5.3 kcal + -analytical -11.17 0.02386 3279 + -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 2.1e-9 +2 H2S = (H2S)2 # activity correction for H2S solubility at high P, T + -analytical_expression 10.227 -0.01384 -2200 + -Vm 36.41 -71.95 0 0 2.58 + -dw 2.1e-9 H2Sg = HSg- + H+ - -log_k -6.994; -delta_h 5.30 kcal - -analytical_expression 11.17 -0.02386 -3279.0 - -gamma 3.5 0 - -Vm 5.0119 4.9799 3.4765 -2.9849 1.4410 # supcrt - -dw 1.73e-9 -2H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T - -analytical_expression 10.227 -0.01384 -2200 - -Vm 36.41 -71.95 0 0 2.58 - -dw 2.1e-9 + -log_k -6.994; -delta_h 5.3 kcal + -analytical_expression 11.17 -0.02386 -3279 + -gamma 3.5 0 + -Vm 5.0119 4.9799 3.4765 -2.9849 1.441 # supcrt + -dw 1.73e-9 +2 H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T + -analytical_expression 10.227 -0.01384 -2200 + -Vm 36.41 -71.95 0 0 2.58 + -dw 2.1e-9 NO3- + 2 H+ + 2 e- = NO2- + H2O - -log_k 28.570 - -delta_h -43.760 kcal - -gamma 3.0 0 - -Vm 5.5864 5.8590 3.4472 -3.0212 1.1847 # supcrt - -dw 1.91e-9 + -log_k 28.57 + -delta_h -43.76 kcal + -gamma 3 0 + -Vm 5.5864 5.859 3.4472 -3.0212 1.1847 # supcrt + -dw 1.91e-9 2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O - -log_k 207.08 - -delta_h -312.130 kcal - -Vm 7 # Pray et al., 1952, IEC 44. 1146 - -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 + -log_k 207.08 + -delta_h -312.13 kcal + -Vm 7 # Pray et al., 1952, IEC 44 1146 + -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O - -log_k 119.077 - -delta_h -187.055 kcal - -gamma 2.5 0 - -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 - -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 - -dw 1.98e-9 178 3.747 0 1.220 + -log_k 119.077 + -delta_h -187.055 kcal + -gamma 2.5 0 + -Vm 5.35 2.345 3.72 -2.88 1.55 2.5 -4.54 217 2.344e-2 0.569 + -viscosity 9.9e-2 -0.159 1.36e-2 6.51e-3 3.21e-2 0.972 + -dw 1.98e-9 178 3.747 0 1.22 #AmmH+ = Amm + H+ NH4+ = NH3 + H+ - -log_k -9.252 - -delta_h 12.48 kcal - -analytic 0.6322 -0.001225 -2835.76 - -Vm 6.69 2.8 3.58 -2.88 1.43 - -viscosity 0.08 0 0 7.82e-3 -0.134 -0.986 - -dw 2.28e-9 + -log_k -9.252 + -delta_h 12.48 kcal + -analytic 0.6322 -0.001225 -2835.76 + -Vm 6.69 2.8 3.58 -2.88 1.43 + -viscosity 0.08 0 0 7.82e-3 -0.134 -0.986 + -dw 2.28e-9 #NO3- + 10 H+ + 8 e- = AmmH+ + 3 H2O # -log_k 119.077 # -delta_h -187.055 kcal @@ -320,351 +324,351 @@ NH4+ = NH3 + H+ # -Vm 4.837 2.345 5.522 -2.88 1.096 3 -1.456 75.0 7.17e-3 1 #AmmH+ + SO4-2 = AmmHSO4- NH4+ + SO4-2 = NH4SO4- - -gamma 6.54 -0.08 - -log_k 1.106; -delta_h 4.30 kcal - -Vm -3.23 0 -68.42 0 -14.27 0 68.51 0 -0.4099 0.2339 - -viscosity 0.24 0 0 3.3e-3 -0.10 0.528 0.748 - -dw 1.35e-9 500 12.50 3.0 -1 + -gamma 6.54 -0.08 + -log_k 1.106; -delta_h 4.3 kcal + -Vm -3.23 0 -68.42 0 -14.27 0 68.51 0 -0.4099 0.2339 + -viscosity 0.24 0 0 3.3e-3 -0.1 0.528 0.748 + -dw 1.35e-9 500 12.5 3 -1 H3BO3 = H2BO3- + H+ - -log_k -9.24 - -delta_h 3.224 kcal + -log_k -9.24 + -delta_h 3.224 kcal H3BO3 + F- = BF(OH)3- - -log_k -0.4 - -delta_h 1.850 kcal + -log_k -0.4 + -delta_h 1.85 kcal H3BO3 + 2 F- + H+ = BF2(OH)2- + H2O - -log_k 7.63 - -delta_h 1.618 kcal + -log_k 7.63 + -delta_h 1.618 kcal H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O - -log_k 13.67 + -log_k 13.67 -delta_h -1.614 kcal H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O - -log_k 20.28 + -log_k 20.28 -delta_h -1.846 kcal PO4-3 + H+ = HPO4-2 - -log_k 12.346 - -delta_h -3.530 kcal - -gamma 5.0 0 - -dw 0.69e-9 - -Vm 3.52 1.09 8.39 -2.82 3.34 0 0 0 0 1 + -log_k 12.346 + -delta_h -3.53 kcal + -gamma 5 0 + -dw 0.69e-9 + -Vm 3.52 1.09 8.39 -2.82 3.34 0 0 0 0 1 PO4-3 + 2 H+ = H2PO4- - -log_k 19.553 - -delta_h -4.520 kcal - -gamma 5.4 0 - -Vm 5.58 8.06 12.2 -3.11 1.3 0 0 0 1.62e-2 1 - -dw 0.846e-9 -PO4-3 + 3H+ = H3PO4 - log_k 21.721 # log_k and delta_h from minteq.v4.dat, NIST46.3 - delta_h -10.1 kJ - -Vm 7.47 12.4 6.29 -3.29 0 + -log_k 19.553 + -delta_h -4.52 kcal + -gamma 5.4 0 + -Vm 5.58 8.06 12.2 -3.11 1.3 0 0 0 1.62e-2 1 + -dw 0.846e-9 +PO4-3 + 3 H+ = H3PO4 + log_k 21.721 # log_k and delta_h from minteq.v4.dat, NIST46.3 + delta_h -10.1 kJ + -Vm 7.47 12.4 6.29 -3.29 0 H+ + F- = HF - -log_k 3.18 - -delta_h 3.18 kcal - -analytic -2.033 0.012645 429.01 - -Vm 3.4753 .7042 5.4732 -2.8081 -.0007 # supcrt + -log_k 3.18 + -delta_h 3.18 kcal + -analytic -2.033 0.012645 429.01 + -Vm 3.4753 .7042 5.4732 -2.8081 -.0007 # supcrt H+ + 2 F- = HF2- - -log_k 3.76 - -delta_h 4.550 kcal - -Vm 5.2263 4.9797 3.7928 -2.9849 1.2934 # supcrt + -log_k 3.76 + -delta_h 4.55 kcal + -Vm 5.2263 4.9797 3.7928 -2.9849 1.2934 # supcrt Ca+2 + H2O = CaOH+ + H+ - -log_k -12.78 + -log_k -12.78 Ca+2 + CO3-2 = CaCO3 - -log_k 3.224; -delta_h 3.545 kcal - -analytic -1228.732 -0.299440 35512.75 485.818 - -dw 4.46e-10 # complexes: calc'd with the Pikal formula - -Vm -.2430 -8.3748 9.0417 -2.4328 -.0300 # supcrt + -log_k 3.224; -delta_h 3.545 kcal + -analytic -1228.732 -0.29944 35512.75 485.818 + -dw 4.46e-10 # complexes: calc'd with the Pikal formula + -Vm -.243 -8.3748 9.0417 -2.4328 -.03 # supcrt Ca+2 + CO3-2 + H+ = CaHCO3+ - -log_k 10.91; -delta_h 4.38 kcal - -analytic -6.009 3.377e-2 2044 - -gamma 6.0 0 - -Vm 30.19 .010 5.75 -2.78 .308 5.4 - -dw 5.06e-10 + -log_k 10.91; -delta_h 4.38 kcal + -analytic -6.009 3.377e-2 2044 + -gamma 6 0 + -Vm 30.19 .01 5.75 -2.78 .308 5.4 + -dw 5.06e-10 Ca+2 + SO4-2 = CaSO4 - -log_k 2.25 - -delta_h 1.325 kcal + -log_k 2.25 + -delta_h 1.325 kcal -dw 4.71e-10 - -Vm 2.7910 -.9666 6.1300 -2.7390 -.0010 # supcrt + -Vm 2.791 -.9666 6.13 -2.739 -.001 # supcrt Ca+2 + HSO4- = CaHSO4+ - -log_k 1.08 + -log_k 1.08 Ca+2 + PO4-3 = CaPO4- - -log_k 6.459 - -delta_h 3.10 kcal - -gamma 5.4 0.0 + -log_k 6.459 + -delta_h 3.1 kcal + -gamma 5.4 0 Ca+2 + HPO4-2 = CaHPO4 - -log_k 2.739 + -log_k 2.739 -delta_h 3.3 kcal Ca+2 + H2PO4- = CaH2PO4+ - -log_k 1.408 + -log_k 1.408 -delta_h 3.4 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 # Ca+2 + F- = CaF+ # -log_k 0.94 # -delta_h 4.120 kcal # -gamma 5.5 0.0 # -Vm .9846 -5.3773 7.8635 -2.5567 .6911 5.5 # supcrt Mg+2 + H2O = MgOH+ + H+ - -log_k -11.44 + -log_k -11.44 -delta_h 15.952 kcal - -gamma 6.5 0 + -gamma 6.5 0 Mg+2 + CO3-2 = MgCO3 - -log_k 2.98 - -delta_h 2.713 kcal - -analytic 0.9910 0.00667 - -Vm -0.5837 -9.2067 9.3687 -2.3984 -.0300 # supcrt - -dw 4.21e-10 + -log_k 2.98 + -delta_h 2.713 kcal + -analytic 0.991 0.00667 + -Vm -0.5837 -9.2067 9.3687 -2.3984 -.03 # supcrt + -dw 4.21e-10 Mg+2 + H+ + CO3-2 = MgHCO3+ - -log_k 11.399 + -log_k 11.399 -delta_h -2.771 kcal - -analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9 - -gamma 4.0 0 - -Vm 2.7171 -1.1469 6.2008 -2.7316 .5985 4 # supcrt - -dw 4.78e-10 + -analytic 48.6721 0.03252849 -2614.335 -18.00263 563713.9 + -gamma 4 0 + -Vm 2.7171 -1.1469 6.2008 -2.7316 .5985 4 # supcrt + -dw 4.78e-10 Mg+2 + SO4-2 = MgSO4 - -gamma 0 0.20 - -log_k 2.42; -delta_h 19.0 kJ - -analytical_expression 0 9.64e-3 -136 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC - -Vm 8.65 -10.21 29.58 -18.60 1.061 - -viscosity 0.318 -5.4e-4 -3.42e-2 0.708 3.70e-3 0.696 - -dw 4.45e-10 + -gamma 0 0.2 + -log_k 2.42; -delta_h 19 kJ + -analytical_expression 0 9.64e-3 -136 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC + -Vm 8.65 -10.21 29.58 -18.6 1.061 + -viscosity 0.318 -5.4e-4 -3.42e-2 0.708 3.7e-3 0.696 + -dw 4.45e-10 SO4-2 + MgSO4 = Mg(SO4)2-2 - -gamma 7 0.047 - -log_k 0.52; -delta_h -13.6 kJ - -analytical_expression 0 -1.51e-3 0 0 8.604e4 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC - -Vm -8.14 -62.20 -15.96 3.29 -3.01 0 150 0 0.153 3.79e-2 - -viscosity -0.169 5e-4 -5.69e-2 0.110 2.03e-3 2.027 -1e-3 - -dw 0.845e-9 -200 8.0 0 0.965 + -gamma 7 0.047 + -log_k 0.52; -delta_h -13.6 kJ + -analytical_expression 0 -1.51e-3 0 0 8.604e4 # mean salt gamma from Pitzer.dat and epsomite/hexahydrite/kieserite solubilities, 0 - 200 oC + -Vm -8.14 -62.2 -15.96 3.29 -3.01 0 150 0 0.153 3.79e-2 + -viscosity -0.169 5e-4 -5.69e-2 0.11 2.03e-3 2.027 -1e-3 + -dw 0.845e-9 -200 8 0 0.965 Mg+2 + PO4-3 = MgPO4- - -log_k 6.589 - -delta_h 3.10 kcal - -gamma 5.4 0 + -log_k 6.589 + -delta_h 3.1 kcal + -gamma 5.4 0 Mg+2 + HPO4-2 = MgHPO4 - -log_k 2.87 + -log_k 2.87 -delta_h 3.3 kcal Mg+2 + H2PO4- = MgH2PO4+ - -log_k 1.513 + -log_k 1.513 -delta_h 3.4 kcal - -gamma 5.4 0 + -gamma 5.4 0 Mg+2 + F- = MgF+ - -log_k 1.82 - -delta_h 3.20 kcal - -gamma 4.5 0 - -Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt + -log_k 1.82 + -delta_h 3.2 kcal + -gamma 4.5 0 + -Vm .6494 -6.1958 8.1852 -2.5229 .9706 4.5 # supcrt Na+ + OH- = NaOH - -log_k -10 # remove this complex + -log_k -10 # remove this complex Na+ + HCO3- = NaHCO3 - -log_k -0.06; -delta_h 21 kJ - -gamma 0 0.2 - -Vm 7.95 0 0 0 0.609 - -viscosity -4e-2 -2.717 1.67e-5 - -dw 6.73e-10 + -log_k -0.06; -delta_h 21 kJ + -gamma 0 0.2 + -Vm 7.95 0 0 0 0.609 + -viscosity -4e-2 -2.717 1.67e-5 + -dw 6.73e-10 Na+ + SO4-2 = NaSO4- - -gamma 5.5 0 - -log_k 0.6; -delta_h -14.4 kJ - -analytical_expression 255.903 0.10057 0 -1.11138e2 -8.5983e5 # mirabilite/thenardite solubilities, 0 - 200 oC - -Vm 1.99 -10.78 21.88 -12.70 1.601 5 32.38 501 1.565e-2 0.2325 - -viscosity 0.20 -5.93e-2 -4.0e-4 8.46e-3 1.78e-3 2.308 -0.208 - -dw 1.13e-9 -23 8.50 0.392 0.521 + -gamma 5.5 0 + -log_k 0.6; -delta_h -14.4 kJ + -analytical_expression 255.903 0.10057 0 -1.11138e2 -8.5983e5 # mirabilite/thenardite solubilities, 0 - 200 oC + -Vm 1.99 -10.78 21.88 -12.7 1.601 5 32.38 501 1.565e-2 0.2325 + -viscosity 0.2 -5.93e-2 -4e-4 8.46e-3 1.78e-3 2.308 -0.208 + -dw 1.13e-9 -23 8.5 0.392 0.521 Na+ + HPO4-2 = NaHPO4- - -log_k 0.29 - -gamma 5.4 0 - -Vm 5.2 8.1 13 -3 0.9 0 0 1.62e-2 1 + -log_k 0.29 + -gamma 5.4 0 + -Vm 5.2 8.1 13 -3 0.9 0 0 1.62e-2 1 Na+ + F- = NaF - -log_k -0.24 - -Vm 2.7483 -1.0708 6.1709 -2.7347 -.030 # supcrt + -log_k -0.24 + -Vm 2.7483 -1.0708 6.1709 -2.7347 -.03 # supcrt K+ + HCO3- = KHCO3 - -log_k -0.35; -delta_h 12 kJ - -gamma 0 9.4e-3 - -Vm 9.48 0 0 0 -0.542 - -viscosity 0.7 -1.289 9e-2 + -log_k -0.35; -delta_h 12 kJ + -gamma 0 9.4e-3 + -Vm 9.48 0 0 0 -0.542 + -viscosity 0.7 -1.289 9e-2 K+ + SO4-2 = KSO4- - -gamma 5.4 0.19 - -log_k 0.6; -delta_h -10.4 kJ - -analytical_expression -3.0246 9.986e-3 0 0 1.093e5 # arcanite solubility, 0 - 200 oC - -Vm 13.48 -18.03 61.74 -19.60 2.046 5.4 -17.32 0 0.1522 1.919 - -viscosity -1.0 1.06 1e-4 -0.464 3.78e-2 0.539 -0.690 - -dw 0.90e-9 63 8.48 0 1.80 + -gamma 5.4 0.19 + -log_k 0.6; -delta_h -10.4 kJ + -analytical_expression -3.0246 9.986e-3 0 0 1.093e5 # arcanite solubility, 0 - 200 oC + -Vm 13.48 -18.03 61.74 -19.6 2.046 5.4 -17.32 0 0.1522 1.919 + -viscosity -1 1.06 1e-4 -0.464 3.78e-2 0.539 -0.69 + -dw 0.9e-9 63 8.48 0 1.8 K+ + HPO4-2 = KHPO4- - -log_k 0.29 - -gamma 5.4 0 - -Vm 5.4 8.1 19 -3.1 0.7 0 0 0 1.62e-2 1 + -log_k 0.29 + -gamma 5.4 0 + -Vm 5.4 8.1 19 -3.1 0.7 0 0 0 1.62e-2 1 Fe+2 + H2O = FeOH+ + H+ - -log_k -9.5 - -delta_h 13.20 kcal - -gamma 5.0 0 -Fe+2 + 3H2O = Fe(OH)3- + 3H+ - -log_k -31.0 + -log_k -9.5 + -delta_h 13.2 kcal + -gamma 5 0 +Fe+2 + 3 H2O = Fe(OH)3- + 3 H+ + -log_k -31 -delta_h 30.3 kcal - -gamma 5.0 0 + -gamma 5 0 Fe+2 + Cl- = FeCl+ - -log_k 0.14 + -log_k 0.14 Fe+2 + CO3-2 = FeCO3 - -log_k 4.38 + -log_k 4.38 Fe+2 + HCO3- = FeHCO3+ - -log_k 2.0 + -log_k 2 Fe+2 + SO4-2 = FeSO4 - -log_k 2.25 - -delta_h 3.230 kcal - -Vm -13 0 123 + -log_k 2.25 + -delta_h 3.23 kcal + -Vm -13 0 123 Fe+2 + HSO4- = FeHSO4+ - -log_k 1.08 -Fe+2 + 2HS- = Fe(HS)2 - -log_k 8.95 -Fe+2 + 3HS- = Fe(HS)3- - -log_k 10.987 + -log_k 1.08 +Fe+2 + 2 HS- = Fe(HS)2 + -log_k 8.95 +Fe+2 + 3 HS- = Fe(HS)3- + -log_k 10.987 Fe+2 + HPO4-2 = FeHPO4 - -log_k 3.6 + -log_k 3.6 Fe+2 + H2PO4- = FeH2PO4+ - -log_k 2.7 - -gamma 5.4 0 + -log_k 2.7 + -gamma 5.4 0 Fe+2 + F- = FeF+ - -log_k 1.0 + -log_k 1 Fe+2 = Fe+3 + e- - -log_k -13.02 - -delta_h 9.680 kcal - -gamma 9.0 0 + -log_k -13.02 + -delta_h 9.68 kcal + -gamma 9 0 Fe+3 + H2O = FeOH+2 + H+ - -log_k -2.19 - -delta_h 10.4 kcal - -gamma 5.0 0 + -log_k -2.19 + -delta_h 10.4 kcal + -gamma 5 0 Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+ - -log_k -5.67 - -delta_h 17.1 kcal - -gamma 5.4 0 + -log_k -5.67 + -delta_h 17.1 kcal + -gamma 5.4 0 Fe+3 + 3 H2O = Fe(OH)3 + 3 H+ - -log_k -12.56 - -delta_h 24.8 kcal + -log_k -12.56 + -delta_h 24.8 kcal Fe+3 + 4 H2O = Fe(OH)4- + 4 H+ - -log_k -21.6 - -delta_h 31.9 kcal - -gamma 5.4 0 -Fe+2 + 2H2O = Fe(OH)2 + 2H+ - -log_k -20.57 + -log_k -21.6 + -delta_h 31.9 kcal + -gamma 5.4 0 +Fe+2 + 2 H2O = Fe(OH)2 + 2 H+ + -log_k -20.57 -delta_h 28.565 kcal 2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+ - -log_k -2.95 - -delta_h 13.5 kcal + -log_k -2.95 + -delta_h 13.5 kcal 3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+ - -log_k -6.3 - -delta_h 14.3 kcal + -log_k -6.3 + -delta_h 14.3 kcal Fe+3 + Cl- = FeCl+2 - -log_k 1.48 - -delta_h 5.6 kcal - -gamma 5.0 0 + -log_k 1.48 + -delta_h 5.6 kcal + -gamma 5 0 Fe+3 + 2 Cl- = FeCl2+ - -log_k 2.13 - -gamma 5.0 0 + -log_k 2.13 + -gamma 5 0 Fe+3 + 3 Cl- = FeCl3 - -log_k 1.13 + -log_k 1.13 Fe+3 + SO4-2 = FeSO4+ - -log_k 4.04 - -delta_h 3.91 kcal - -gamma 5.0 0 + -log_k 4.04 + -delta_h 3.91 kcal + -gamma 5 0 Fe+3 + HSO4- = FeHSO4+2 - -log_k 2.48 + -log_k 2.48 Fe+3 + 2 SO4-2 = Fe(SO4)2- - -log_k 5.38 - -delta_h 4.60 kcal + -log_k 5.38 + -delta_h 4.6 kcal Fe+3 + HPO4-2 = FeHPO4+ - -log_k 5.43 - -delta_h 5.76 kcal - -gamma 5.0 0 + -log_k 5.43 + -delta_h 5.76 kcal + -gamma 5 0 Fe+3 + H2PO4- = FeH2PO4+2 - -log_k 5.43 - -gamma 5.4 0 + -log_k 5.43 + -gamma 5.4 0 Fe+3 + F- = FeF+2 - -log_k 6.2 - -delta_h 2.7 kcal - -gamma 5.0 0 + -log_k 6.2 + -delta_h 2.7 kcal + -gamma 5 0 Fe+3 + 2 F- = FeF2+ - -log_k 10.8 - -delta_h 4.8 kcal - -gamma 5.0 0 + -log_k 10.8 + -delta_h 4.8 kcal + -gamma 5 0 Fe+3 + 3 F- = FeF3 - -log_k 14.0 - -delta_h 5.4 kcal + -log_k 14 + -delta_h 5.4 kcal Mn+2 + H2O = MnOH+ + H+ - -log_k -10.59 - -delta_h 14.40 kcal - -gamma 5.0 0 -Mn+2 + 3H2O = Mn(OH)3- + 3H+ - -log_k -34.8 - -gamma 5.0 0 + -log_k -10.59 + -delta_h 14.4 kcal + -gamma 5 0 +Mn+2 + 3 H2O = Mn(OH)3- + 3 H+ + -log_k -34.8 + -gamma 5 0 Mn+2 + Cl- = MnCl+ - -log_k 0.61 - -gamma 5.0 0 - -Vm 7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1 + -log_k 0.61 + -gamma 5 0 + -Vm 7.25 -1.08 -25.8 -2.73 3.99 5 0 0 0 1 Mn+2 + 2 Cl- = MnCl2 - -log_k 0.25 - -Vm 1e-5 0 144 + -log_k 0.25 + -Vm 1e-5 0 144 Mn+2 + 3 Cl- = MnCl3- - -log_k -0.31 - -gamma 5.0 0 - -Vm 11.8 0 0 0 2.4 0 0 0 3.6e-2 1 + -log_k -0.31 + -gamma 5 0 + -Vm 11.8 0 0 0 2.4 0 0 0 3.6e-2 1 Mn+2 + CO3-2 = MnCO3 - -log_k 4.9 + -log_k 4.9 Mn+2 + HCO3- = MnHCO3+ - -log_k 1.95 - -gamma 5.0 0 + -log_k 1.95 + -gamma 5 0 Mn+2 + SO4-2 = MnSO4 - -log_k 2.25 - -delta_h 3.370 kcal - -Vm -1.31 -1.83 62.3 -2.7 + -log_k 2.25 + -delta_h 3.37 kcal + -Vm -1.31 -1.83 62.3 -2.7 Mn+2 + 2 NO3- = Mn(NO3)2 - -log_k 0.6 + -log_k 0.6 -delta_h -0.396 kcal - -Vm 6.16 0 29.4 0 0.9 + -Vm 6.16 0 29.4 0 0.9 Mn+2 + F- = MnF+ - -log_k 0.84 - -gamma 5.0 0 + -log_k 0.84 + -gamma 5 0 Mn+2 = Mn+3 + e- - -log_k -25.51 - -delta_h 25.80 kcal - -gamma 9.0 0 + -log_k -25.51 + -delta_h 25.8 kcal + -gamma 9 0 Al+3 + H2O = AlOH+2 + H+ - -log_k -5.0 - -delta_h 11.49 kcal - -analytic -38.253 0.0 -656.27 14.327 - -gamma 5.4 0 - -Vm -1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # Barta and Hepler, 1986, Can. J. Chem. 64, 353. + -log_k -5 + -delta_h 11.49 kcal + -analytic -38.253 0 -656.27 14.327 + -gamma 5.4 0 + -Vm -1.46 -11.4 10.2 -2.31 1.67 5.4 0 0 0 1 # Barta and Hepler, 1986, Can. J. Chem. 64, 353 Al+3 + 2 H2O = Al(OH)2+ + 2 H+ - -log_k -10.1 - -delta_h 26.90 kcal - -gamma 5.4 0 - -analytic 88.50 0.0 -9391.6 -27.121 + -log_k -10.1 + -delta_h 26.9 kcal + -gamma 5.4 0 + -analytic 88.5 0 -9391.6 -27.121 Al+3 + 3 H2O = Al(OH)3 + 3 H+ - -log_k -16.9 - -delta_h 39.89 kcal - -analytic 226.374 0.0 -18247.8 -73.597 + -log_k -16.9 + -delta_h 39.89 kcal + -analytic 226.374 0 -18247.8 -73.597 Al+3 + 4 H2O = Al(OH)4- + 4 H+ - -log_k -22.7 - -delta_h 42.30 kcal - -analytic 51.578 0.0 -11168.9 -14.865 - -gamma 4.5 0 + -log_k -22.7 + -delta_h 42.3 kcal + -analytic 51.578 0 -11168.9 -14.865 + -gamma 4.5 0 -dw 1.04e-9 # Mackin & Aller, 1983, GCA 47, 959 Al+3 + SO4-2 = AlSO4+ - -log_k 3.5 + -log_k 3.5 -delta_h 2.29 kcal - -gamma 4.5 0 -Al+3 + 2SO4-2 = Al(SO4)2- - -log_k 5.0 + -gamma 4.5 0 +Al+3 + 2 SO4-2 = Al(SO4)2- + -log_k 5 -delta_h 3.11 kcal - -gamma 4.5 0 + -gamma 4.5 0 Al+3 + HSO4- = AlHSO4+2 - -log_k 0.46 + -log_k 0.46 Al+3 + F- = AlF+2 - -log_k 7.0 - -delta_h 1.060 kcal - -gamma 5.4 0 + -log_k 7 + -delta_h 1.06 kcal + -gamma 5.4 0 Al+3 + 2 F- = AlF2+ - -log_k 12.7 - -delta_h 1.980 kcal - -gamma 5.4 0 + -log_k 12.7 + -delta_h 1.98 kcal + -gamma 5.4 0 Al+3 + 3 F- = AlF3 - -log_k 16.8 - -delta_h 2.160 kcal + -log_k 16.8 + -delta_h 2.16 kcal Al+3 + 4 F- = AlF4- - -log_k 19.4 - -delta_h 2.20 kcal - -gamma 4.5 0 + -log_k 19.4 + -delta_h 2.2 kcal + -gamma 4.5 0 # Al+3 + 5 F- = AlF5-2 # log_k 20.6 # delta_h 1.840 kcal @@ -672,681 +676,681 @@ Al+3 + 4 F- = AlF4- # log_k 20.6 # delta_h -1.670 kcal H4SiO4 = H3SiO4- + H+ - -log_k -9.83 - -delta_h 6.12 kcal - -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669.0 - -gamma 4 0 - -Vm 7.94 1.0881 5.3224 -2.8240 1.4767 # supcrt + H2O in a1 + -log_k -9.83 + -delta_h 6.12 kcal + -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669 + -gamma 4 0 + -Vm 7.94 1.0881 5.3224 -2.824 1.4767 # supcrt H2O in a1 H4SiO4 = H2SiO4-2 + 2 H+ - -log_k -23.0 - -delta_h 17.6 kcal - -analytic -294.0184 -0.072650 11204.49 108.18466 -1119669.0 - -gamma 5.4 0 + -log_k -23 + -delta_h 17.6 kcal + -analytic -294.0184 -0.07265 11204.49 108.18466 -1119669 + -gamma 5.4 0 H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O - -log_k 30.18 - -delta_h -16.260 kcal - -gamma 5.0 0 - -Vm 8.5311 13.0492 .6211 -3.3185 2.7716 # supcrt + -log_k 30.18 + -delta_h -16.26 kcal + -gamma 5 0 + -Vm 8.5311 13.0492 .6211 -3.3185 2.7716 # supcrt Ba+2 + H2O = BaOH+ + H+ - -log_k -13.47 - -gamma 5.0 0 + -log_k -13.47 + -gamma 5 0 Ba+2 + CO3-2 = BaCO3 - -log_k 2.71 - -delta_h 3.55 kcal - -analytic 0.113 0.008721 - -Vm .2907 -7.0717 8.5295 -2.4867 -.0300 # supcrt + -log_k 2.71 + -delta_h 3.55 kcal + -analytic 0.113 0.008721 + -Vm .2907 -7.0717 8.5295 -2.4867 -.03 # supcrt Ba+2 + HCO3- = BaHCO3+ - -log_k 0.982 + -log_k 0.982 -delta_h 5.56 kcal - -analytic -3.0938 0.013669 + -analytic -3.0938 0.013669 Ba+2 + SO4-2 = BaSO4 - -log_k 2.7 + -log_k 2.7 Sr+2 + H2O = SrOH+ + H+ - -log_k -13.29 - -gamma 5.0 0 + -log_k -13.29 + -gamma 5 0 Sr+2 + CO3-2 + H+ = SrHCO3+ - -log_k 11.509 - -delta_h 2.489 kcal - -analytic 104.6391 0.04739549 -5151.79 -38.92561 563713.9 - -gamma 5.4 0 + -log_k 11.509 + -delta_h 2.489 kcal + -analytic 104.6391 0.04739549 -5151.79 -38.92561 563713.9 + -gamma 5.4 0 Sr+2 + CO3-2 = SrCO3 - -log_k 2.81 - -delta_h 5.22 kcal - -analytic -1.019 0.012826 - -Vm -.1787 -8.2177 8.9799 -2.4393 -.0300 # supcrt + -log_k 2.81 + -delta_h 5.22 kcal + -analytic -1.019 0.012826 + -Vm -.1787 -8.2177 8.9799 -2.4393 -.03 # supcrt Sr+2 + SO4-2 = SrSO4 - -log_k 2.29 - -delta_h 2.08 kcal - -Vm 6.7910 -.9666 6.1300 -2.7390 -.0010 # celestite solubility + -log_k 2.29 + -delta_h 2.08 kcal + -Vm 6.791 -.9666 6.13 -2.739 -.001 # celestite solubility Li+ + SO4-2 = LiSO4- - -log_k 0.64 - -gamma 5.0 0 + -log_k 0.64 + -gamma 5 0 Cu+2 + e- = Cu+ - -log_k 2.72 - -delta_h 1.65 kcal - -gamma 2.5 0 -Cu+ + 2Cl- = CuCl2- - -log_k 5.50 + -log_k 2.72 + -delta_h 1.65 kcal + -gamma 2.5 0 +Cu+ + 2 Cl- = CuCl2- + -log_k 5.5 -delta_h -0.42 kcal - -gamma 4.0 0 -Cu+ + 3Cl- = CuCl3-2 - -log_k 5.70 + -gamma 4 0 +Cu+ + 3 Cl- = CuCl3-2 + -log_k 5.7 -delta_h 0.26 kcal - -gamma 5.0 0.0 + -gamma 5 0 Cu+2 + CO3-2 = CuCO3 - -log_k 6.73 -Cu+2 + 2CO3-2 = Cu(CO3)2-2 - -log_k 9.83 + -log_k 6.73 +Cu+2 + 2 CO3-2 = Cu(CO3)2-2 + -log_k 9.83 Cu+2 + HCO3- = CuHCO3+ - -log_k 2.7 + -log_k 2.7 Cu+2 + Cl- = CuCl+ - -log_k 0.43 + -log_k 0.43 -delta_h 8.65 kcal - -gamma 4.0 0 - -Vm -4.19 0 30.4 0 0 4 0 0 1.94e-2 1 -Cu+2 + 2Cl- = CuCl2 - -log_k 0.16 + -gamma 4 0 + -Vm -4.19 0 30.4 0 0 4 0 0 1.94e-2 1 +Cu+2 + 2 Cl- = CuCl2 + -log_k 0.16 -delta_h 10.56 kcal - -Vm 26.8 0 -136 -Cu+2 + 3Cl- = CuCl3- - -log_k -2.29 + -Vm 26.8 0 -136 +Cu+2 + 3 Cl- = CuCl3- + -log_k -2.29 -delta_h 13.69 kcal - -gamma 4.0 0 -Cu+2 + 4Cl- = CuCl4-2 - -log_k -4.59 + -gamma 4 0 +Cu+2 + 4 Cl- = CuCl4-2 + -log_k -4.59 -delta_h 17.78 kcal - -gamma 5.0 0 + -gamma 5 0 Cu+2 + F- = CuF+ - -log_k 1.26 + -log_k 1.26 -delta_h 1.62 kcal Cu+2 + H2O = CuOH+ + H+ - -log_k -8.0 - -gamma 4.0 0 + -log_k -8 + -gamma 4 0 Cu+2 + 2 H2O = Cu(OH)2 + 2 H+ - -log_k -13.68 + -log_k -13.68 Cu+2 + 3 H2O = Cu(OH)3- + 3 H+ - -log_k -26.9 + -log_k -26.9 Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+ - -log_k -39.6 -2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+ - -log_k -10.359 + -log_k -39.6 +2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+ + -log_k -10.359 -delta_h 17.539 kcal - -analytical 2.497 0.0 -3833.0 + -analytical 2.497 0 -3833 Cu+2 + SO4-2 = CuSO4 - -log_k 2.31 - -delta_h 1.220 kcal - -Vm 5.21 0 -14.6 -Cu+2 + 3HS- = Cu(HS)3- - -log_k 25.9 + -log_k 2.31 + -delta_h 1.22 kcal + -Vm 5.21 0 -14.6 +Cu+2 + 3 HS- = Cu(HS)3- + -log_k 25.9 Zn+2 + H2O = ZnOH+ + H+ - -log_k -8.96 + -log_k -8.96 -delta_h 13.4 kcal Zn+2 + 2 H2O = Zn(OH)2 + 2 H+ - -log_k -16.9 + -log_k -16.9 Zn+2 + 3 H2O = Zn(OH)3- + 3 H+ - -log_k -28.4 + -log_k -28.4 Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+ - -log_k -41.2 + -log_k -41.2 Zn+2 + Cl- = ZnCl+ - -log_k 0.43 + -log_k 0.43 -delta_h 7.79 kcal - -gamma 4.0 0 - -Vm 14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1 + -gamma 4 0 + -Vm 14.8 -3.91 -105.7 -2.62 0.203 4 0 0 -5.05e-2 1 Zn+2 + 2 Cl- = ZnCl2 - -log_k 0.45 + -log_k 0.45 -delta_h 8.5 kcal - -Vm -10.1 4.57 241 -2.97 -1e-3 -Zn+2 + 3Cl- = ZnCl3- - -log_k 0.5 + -Vm -10.1 4.57 241 -2.97 -1e-3 +Zn+2 + 3 Cl- = ZnCl3- + -log_k 0.5 -delta_h 9.56 kcal - -gamma 4.0 0 - -Vm 0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1 -Zn+2 + 4Cl- = ZnCl4-2 - -log_k 0.2 + -gamma 4 0 + -Vm 0.772 15.5 -0.349 -3.42 1.25 0 -7.77 0 0 1 +Zn+2 + 4 Cl- = ZnCl4-2 + -log_k 0.2 -delta_h 10.96 kcal - -gamma 5.0 0 - -Vm 28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1 + -gamma 5 0 + -Vm 28.42 28 -5.26 -3.94 2.67 0 0 0 4.62e-2 1 Zn+2 + H2O + Cl- = ZnOHCl + H+ - -log_k -7.48 -Zn+2 + 2HS- = Zn(HS)2 - -log_k 14.94 -Zn+2 + 3HS- = Zn(HS)3- - -log_k 16.1 + -log_k -7.48 +Zn+2 + 2 HS- = Zn(HS)2 + -log_k 14.94 +Zn+2 + 3 HS- = Zn(HS)3- + -log_k 16.1 Zn+2 + CO3-2 = ZnCO3 - -log_k 5.3 -Zn+2 + 2CO3-2 = Zn(CO3)2-2 - -log_k 9.63 + -log_k 5.3 +Zn+2 + 2 CO3-2 = Zn(CO3)2-2 + -log_k 9.63 Zn+2 + HCO3- = ZnHCO3+ - -log_k 2.1 + -log_k 2.1 Zn+2 + SO4-2 = ZnSO4 - -log_k 2.37 + -log_k 2.37 -delta_h 1.36 kcal - -Vm 2.51 0 18.8 -Zn+2 + 2SO4-2 = Zn(SO4)2-2 - -log_k 3.28 - -Vm 10.9 0 -98.7 0 0 0 24 0 -0.236 1 + -Vm 2.51 0 18.8 +Zn+2 + 2 SO4-2 = Zn(SO4)2-2 + -log_k 3.28 + -Vm 10.9 0 -98.7 0 0 0 24 0 -0.236 1 Zn+2 + Br- = ZnBr+ - -log_k -0.58 -Zn+2 + 2Br- = ZnBr2 - -log_k -0.98 + -log_k -0.58 +Zn+2 + 2 Br- = ZnBr2 + -log_k -0.98 Zn+2 + F- = ZnF+ - -log_k 1.15 + -log_k 1.15 -delta_h 2.22 kcal Cd+2 + H2O = CdOH+ + H+ - -log_k -10.08 + -log_k -10.08 -delta_h 13.1 kcal Cd+2 + 2 H2O = Cd(OH)2 + 2 H+ - -log_k -20.35 + -log_k -20.35 Cd+2 + 3 H2O = Cd(OH)3- + 3 H+ - -log_k -33.3 + -log_k -33.3 Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+ - -log_k -47.35 -2Cd+2 + H2O = Cd2OH+3 + H+ - -log_k -9.39 + -log_k -47.35 +2 Cd+2 + H2O = Cd2OH+3 + H+ + -log_k -9.39 -delta_h 10.9 kcal Cd+2 + H2O + Cl- = CdOHCl + H+ - -log_k -7.404 + -log_k -7.404 -delta_h 4.355 kcal Cd+2 + NO3- = CdNO3+ - -log_k 0.4 + -log_k 0.4 -delta_h -5.2 kcal - -Vm 5.95 0 -1.11 0 2.67 7 0 0 1.53e-2 1 + -Vm 5.95 0 -1.11 0 2.67 7 0 0 1.53e-2 1 Cd+2 + Cl- = CdCl+ - -log_k 1.98 + -log_k 1.98 -delta_h 0.59 kcal - -Vm 5.69 0 -30.2 0 0 6 0 0 0.112 1 + -Vm 5.69 0 -30.2 0 0 6 0 0 0.112 1 Cd+2 + 2 Cl- = CdCl2 - -log_k 2.6 + -log_k 2.6 -delta_h 1.24 kcal - -Vm 5.53 + -Vm 5.53 Cd+2 + 3 Cl- = CdCl3- - -log_k 2.4 + -log_k 2.4 -delta_h 3.9 kcal - -Vm 4.6 0 83.9 0 0 0 0 0 0 1 + -Vm 4.6 0 83.9 0 0 0 0 0 0 1 Cd+2 + CO3-2 = CdCO3 - -log_k 2.9 -Cd+2 + 2CO3-2 = Cd(CO3)2-2 - -log_k 6.4 + -log_k 2.9 +Cd+2 + 2 CO3-2 = Cd(CO3)2-2 + -log_k 6.4 Cd+2 + HCO3- = CdHCO3+ - -log_k 1.5 + -log_k 1.5 Cd+2 + SO4-2 = CdSO4 - -log_k 2.46 + -log_k 2.46 -delta_h 1.08 kcal - -Vm 10.4 0 57.9 -Cd+2 + 2SO4-2 = Cd(SO4)2-2 - -log_k 3.5 - -Vm -6.29 0 -93 0 9.5 7 0 0 0 1 + -Vm 10.4 0 57.9 +Cd+2 + 2 SO4-2 = Cd(SO4)2-2 + -log_k 3.5 + -Vm -6.29 0 -93 0 9.5 7 0 0 0 1 Cd+2 + Br- = CdBr+ - -log_k 2.17 + -log_k 2.17 -delta_h -0.81 kcal -Cd+2 + 2Br- = CdBr2 - -log_k 2.9 +Cd+2 + 2 Br- = CdBr2 + -log_k 2.9 Cd+2 + F- = CdF+ - -log_k 1.1 -Cd+2 + 2F- = CdF2 - -log_k 1.5 + -log_k 1.1 +Cd+2 + 2 F- = CdF2 + -log_k 1.5 Cd+2 + HS- = CdHS+ - -log_k 10.17 -Cd+2 + 2HS- = Cd(HS)2 - -log_k 16.53 -Cd+2 + 3HS- = Cd(HS)3- - -log_k 18.71 -Cd+2 + 4HS- = Cd(HS)4-2 - -log_k 20.9 + -log_k 10.17 +Cd+2 + 2 HS- = Cd(HS)2 + -log_k 16.53 +Cd+2 + 3 HS- = Cd(HS)3- + -log_k 18.71 +Cd+2 + 4 HS- = Cd(HS)4-2 + -log_k 20.9 Pb+2 + H2O = PbOH+ + H+ - -log_k -7.71 + -log_k -7.71 Pb+2 + 2 H2O = Pb(OH)2 + 2 H+ - -log_k -17.12 + -log_k -17.12 Pb+2 + 3 H2O = Pb(OH)3- + 3 H+ - -log_k -28.06 + -log_k -28.06 Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+ - -log_k -39.7 + -log_k -39.7 2 Pb+2 + H2O = Pb2OH+3 + H+ - -log_k -6.36 + -log_k -6.36 Pb+2 + Cl- = PbCl+ - -log_k 1.6 + -log_k 1.6 -delta_h 4.38 kcal - -Vm 2.8934 -.7165 6.0316 -2.7494 .1281 6 # supcrt + -Vm 2.8934 -.7165 6.0316 -2.7494 .1281 6 # supcrt Pb+2 + 2 Cl- = PbCl2 - -log_k 1.8 + -log_k 1.8 -delta_h 1.08 kcal - -Vm 6.5402 8.1879 2.5318 -3.1175 -.0300 # supcrt + -Vm 6.5402 8.1879 2.5318 -3.1175 -.03 # supcrt Pb+2 + 3 Cl- = PbCl3- - -log_k 1.7 + -log_k 1.7 -delta_h 2.17 kcal - -Vm 11.0396 19.1743 -1.7863 -3.5717 .7356 # supcrt + -Vm 11.0396 19.1743 -1.7863 -3.5717 .7356 # supcrt Pb+2 + 4 Cl- = PbCl4-2 - -log_k 1.38 + -log_k 1.38 -delta_h 3.53 kcal - -Vm 16.4150 32.2997 -6.9452 -4.1143 2.3118 # supcrt + -Vm 16.415 32.2997 -6.9452 -4.1143 2.3118 # supcrt Pb+2 + CO3-2 = PbCO3 - -log_k 7.24 + -log_k 7.24 Pb+2 + 2 CO3-2 = Pb(CO3)2-2 - -log_k 10.64 + -log_k 10.64 Pb+2 + HCO3- = PbHCO3+ - -log_k 2.9 + -log_k 2.9 Pb+2 + SO4-2 = PbSO4 - -log_k 2.75 + -log_k 2.75 Pb+2 + 2 SO4-2 = Pb(SO4)2-2 - -log_k 3.47 -Pb+2 + 2HS- = Pb(HS)2 - -log_k 15.27 -Pb+2 + 3HS- = Pb(HS)3- - -log_k 16.57 -3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+ - -log_k -23.88 + -log_k 3.47 +Pb+2 + 2 HS- = Pb(HS)2 + -log_k 15.27 +Pb+2 + 3 HS- = Pb(HS)3- + -log_k 16.57 +3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+ + -log_k -23.88 -delta_h 26.5 kcal Pb+2 + NO3- = PbNO3+ - -log_k 1.17 + -log_k 1.17 Pb+2 + Br- = PbBr+ - -log_k 1.77 + -log_k 1.77 -delta_h 2.88 kcal -Pb+2 + 2Br- = PbBr2 - -log_k 1.44 +Pb+2 + 2 Br- = PbBr2 + -log_k 1.44 Pb+2 + F- = PbF+ - -log_k 1.25 -Pb+2 + 2F- = PbF2 - -log_k 2.56 -Pb+2 + 3F- = PbF3- - -log_k 3.42 -Pb+2 + 4F- = PbF4-2 - -log_k 3.1 + -log_k 1.25 +Pb+2 + 2 F- = PbF2 + -log_k 2.56 +Pb+2 + 3 F- = PbF3- + -log_k 3.42 +Pb+2 + 4 F- = PbF4-2 + -log_k 3.1 PHASES Calcite CaCO3 = CO3-2 + Ca+2 - -log_k -8.48 + -log_k -8.48 -delta_h -2.297 kcal - -analytic 17.118 -0.046528 -3496 # 0 - 250°C, Ellis, 1959, Plummer and Busenberg, 1982 + -analytic 17.118 -0.046528 -3496 # 0 - 250°C, Ellis, 1959, Plummer and Busenberg, 1982 -Vm 36.9 cm3/mol # MW (100.09 g/mol) / rho (2.71 g/cm3) Aragonite CaCO3 = CO3-2 + Ca+2 - -log_k -8.336 + -log_k -8.336 -delta_h -2.589 kcal - -analytic -171.9773 -0.077993 2903.293 71.595 + -analytic -171.9773 -0.077993 2903.293 71.595 -Vm 34.04 Dolomite CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 - -log_k -17.09 - -delta_h -9.436 kcal - -analytic 31.283 -0.0898 -6438 # 25°C: Hemingway and Robie, 1994; 50–175°C: Bénézeth et al., 2018, GCA 224, 262-275. + -log_k -17.09 + -delta_h -9.436 kcal + -analytic 31.283 -0.0898 -6438 # 25°C: Hemingway and Robie, 1994; 50–175°C: Bénézeth et al., 2018, GCA 224, 262-275 -Vm 64.5 Siderite FeCO3 = Fe+2 + CO3-2 - -log_k -10.89 - -delta_h -2.480 kcal + -log_k -10.89 + -delta_h -2.48 kcal -Vm 29.2 Rhodochrosite MnCO3 = Mn+2 + CO3-2 - -log_k -11.13 - -delta_h -1.430 kcal + -log_k -11.13 + -delta_h -1.43 kcal -Vm 31.1 Strontianite SrCO3 = Sr+2 + CO3-2 - -log_k -9.271 - -delta_h -0.400 kcal - -analytic 155.0305 0.0 -7239.594 -56.58638 + -log_k -9.271 + -delta_h -0.4 kcal + -analytic 155.0305 0 -7239.594 -56.58638 -Vm 39.69 Witherite BaCO3 = Ba+2 + CO3-2 - -log_k -8.562 - -delta_h 0.703 kcal - -analytic 607.642 0.121098 -20011.25 -236.4948 + -log_k -8.562 + -delta_h 0.703 kcal + -analytic 607.642 0.121098 -20011.25 -236.4948 -Vm 46 Gypsum CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O - -log_k -4.58 + -log_k -4.58 -delta_h -0.109 kcal - -analytic 68.2401 0.0 -3221.51 -25.0627 - -analytical_expression 93.7 5.99E-03 -4e3 -35.019 # better fits the appendix data of Appelo, 2015, AG 55, 62 - -Vm 73.9 # 172.18 / 2.33 (Vm H2O = 13.9 cm3/mol) + -analytic 68.2401 0 -3221.51 -25.0627 + -analytical_expression 93.7 5.99E-3 -4e3 -35.019 # better fits the appendix data of Appelo, 2015, AG 55, 62 + -Vm 73.9 # 172.18 / 2.33 (Vm H2O = 13.9 cm3/mol) Anhydrite CaSO4 = Ca+2 + SO4-2 - -log_k -4.36 - -delta_h -1.710 kcal - -analytic 84.90 0 -3135.12 -31.79 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323. + -log_k -4.36 + -delta_h -1.71 kcal + -analytic 84.9 0 -3135.12 -31.79 # 50 - 160oC, 1 - 1e3 atm, anhydrite dissolution, Blount and Dickson, 1973, Am. Mineral. 58, 323 -Vm 46.1 # 136.14 / 2.95 Celestite SrSO4 = Sr+2 + SO4-2 - -log_k -6.63 + -log_k -6.63 -delta_h -4.037 kcal # -analytic -14805.9622 -2.4660924 756968.533 5436.3588 -40553604.0 - -analytic -7.14 6.11e-3 75 0 0 -1.79e-5 # Howell et al., 1992, JCED 37, 464. + -analytic -7.14 6.11e-3 75 0 0 -1.79e-5 # Howell et al., 1992, JCED 37, 464 -Vm 46.4 Barite BaSO4 = Ba+2 + SO4-2 - -log_k -9.97 - -delta_h 6.35 kcal - -analytical_expression -282.43 -8.972e-2 5822 113.08 # Blount 1977; Templeton, 1960 + -log_k -9.97 + -delta_h 6.35 kcal + -analytical_expression -282.43 -8.972e-2 5822 113.08 # Blount 1977; Templeton, 1960 -Vm 52.9 Arcanite - K2SO4 = SO4-2 + 2 K+ - log_k -1.776; -delta_h 5 kcal - -analytical_expression 674.142 0.30423 -18037 -280.236 0 -1.44055e-4 # ref. 3 + K2SO4 = SO4-2 + 2 K+ + log_k -1.776; -delta_h 5 kcal + -analytical_expression 674.142 0.30423 -18037 -280.236 0 -1.44055e-4 # ref. 3 # Note, the Linke and Seidell data may give subsaturation in other xpt's, SI = -0.06 -Vm 65.5 Mirabilite - Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O - -analytical_expression -301.9326 -0.16232 0 141.078 # ref. 3 + Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O + -analytical_expression -301.9326 -0.16232 0 141.078 # ref. 3 Vm 216 Thenardite Na2SO4 = 2 Na+ + SO4-2 - -analytical_expression 57.185 8.6024e-2 0 -30.8341 0 -7.6905e-5 # ref. 3 + -analytical_expression 57.185 8.6024e-2 0 -30.8341 0 -7.6905e-5 # ref. 3 -Vm 52.9 Epsomite - MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O - log_k -1.74; -delta_h 10.57 kJ - -analytical_expression -3.59 6.21e-3 + MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O + log_k -1.74; -delta_h 10.57 kJ + -analytical_expression -3.59 6.21e-3 Vm 147 Hexahydrite - MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O - log_k -1.57; -delta_h 2.35 kJ - -analytical_expression -1.978 1.38e-3 + MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O + log_k -1.57; -delta_h 2.35 kJ + -analytical_expression -1.978 1.38e-3 Vm 132 Kieserite - MgSO4:H2O = Mg+2 + SO4-2 + H2O - log_k -1.16; -delta_h 9.22 kJ - -analytical_expression 29.485 -5.07e-2 0 -2.662 -7.95e5 + MgSO4:H2O = Mg+2 + SO4-2 + H2O + log_k -1.16; -delta_h 9.22 kJ + -analytical_expression 29.485 -5.07e-2 0 -2.662 -7.95e5 Vm 53.8 Hydroxyapatite Ca5(PO4)3OH + 4 H+ = H2O + 3 HPO4-2 + 5 Ca+2 - -log_k -3.421 + -log_k -3.421 -delta_h -36.155 kcal -Vm 128.9 Fluorite CaF2 = Ca+2 + 2 F- - -log_k -10.6 - -delta_h 4.69 kcal - -analytic 66.348 0.0 -4298.2 -25.271 + -log_k -10.6 + -delta_h 4.69 kcal + -analytic 66.348 0 -4298.2 -25.271 -Vm 15.7 SiO2(a) SiO2 + 2 H2O = H4SiO4 - -log_k -2.71 - -delta_h 3.340 kcal - -analytic -0.26 0.0 -731.0 + -log_k -2.71 + -delta_h 3.34 kcal + -analytic -0.26 0 -731 Chalcedony SiO2 + 2 H2O = H4SiO4 - -log_k -3.55 - -delta_h 4.720 kcal - -analytic -0.09 0.0 -1032.0 + -log_k -3.55 + -delta_h 4.72 kcal + -analytic -0.09 0 -1032 -Vm 23.1 Quartz SiO2 + 2 H2O = H4SiO4 - -log_k -3.98 - -delta_h 5.990 kcal - -analytic 0.41 0.0 -1309.0 + -log_k -3.98 + -delta_h 5.99 kcal + -analytic 0.41 0 -1309 -Vm 22.67 Gibbsite Al(OH)3 + 3 H+ = Al+3 + 3 H2O - -log_k 8.11 - -delta_h -22.800 kcal + -log_k 8.11 + -delta_h -22.8 kcal -Vm 32.22 Al(OH)3(a) Al(OH)3 + 3 H+ = Al+3 + 3 H2O - -log_k 10.8 - -delta_h -26.500 kcal + -log_k 10.8 + -delta_h -26.5 kcal Kaolinite Al2Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 2 Al+3 - -log_k 7.435 - -delta_h -35.300 kcal + -log_k 7.435 + -delta_h -35.3 kcal -Vm 99.35 Albite NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4 - -log_k -18.002 + -log_k -18.002 -delta_h 25.896 kcal -Vm 101.31 Anorthite CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4 - -log_k -19.714 - -delta_h 11.580 kcal + -log_k -19.714 + -delta_h 11.58 kcal -Vm 105.05 K-feldspar KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4 - -log_k -20.573 - -delta_h 30.820 kcal + -log_k -20.573 + -delta_h 30.82 kcal -Vm 108.15 K-mica KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4 - -log_k 12.703 + -log_k 12.703 -delta_h -59.376 kcal Chlorite(14A) - Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O - -log_k 68.38 + Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O + -log_k 68.38 -delta_h -151.494 kcal Ca-Montmorillonite - Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+ - -log_k -45.027 + Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165 Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+ + -log_k -45.027 -delta_h 58.373 kcal -Vm 156.16 Talc Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4 - -log_k 21.399 + -log_k 21.399 -delta_h -46.352 kcal -Vm 68.34 Illite - K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 0.6K+ + 0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H+ - -log_k -40.267 + K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2 H2O = 0.6 K+ + 0.25 Mg+2 + 2.3 Al(OH)4- + 3.5 H4SiO4 + 1.2 H+ + -log_k -40.267 -delta_h 54.684 kcal -Vm 141.48 Chrysotile Mg3Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 3 Mg+2 - -log_k 32.2 - -delta_h -46.800 kcal - -analytic 13.248 0.0 10217.1 -6.1894 - -Vm 106.5808 # 277.11/2.60 + -log_k 32.2 + -delta_h -46.8 kcal + -analytic 13.248 0 10217.1 -6.1894 + -Vm 106.5808 # 277.11/2.60 Sepiolite - Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 - -log_k 15.760 - -delta_h -10.700 kcal + Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 + -log_k 15.76 + -delta_h -10.7 kcal -Vm 143.765 Sepiolite(d) - Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 - -log_k 18.66 + Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 + -log_k 18.66 Hematite Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O - -log_k -4.008 + -log_k -4.008 -delta_h -30.845 kcal -Vm 30.39 Goethite FeOOH + 3 H+ = Fe+3 + 2 H2O - -log_k -1.0 - -delta_h -14.48 kcal + -log_k -1 + -delta_h -14.48 kcal -Vm 20.84 Fe(OH)3(a) Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O - -log_k 4.891 + -log_k 4.891 Pyrite FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS- - -log_k -18.479 - -delta_h 11.300 kcal + -log_k -18.479 + -delta_h 11.3 kcal -Vm 23.48 FeS(ppt) FeS + H+ = Fe+2 + HS- - -log_k -3.915 + -log_k -3.915 Mackinawite FeS + H+ = Fe+2 + HS- - -log_k -4.648 + -log_k -4.648 -Vm 20.45 Sulfur - S + 2H+ + 2e- = H2S - -log_k 4.882 + S + 2 H+ + 2 e- = H2S + -log_k 4.882 -delta_h -9.5 kcal Vivianite Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O - -log_k -36.0 -Pyrolusite # H2O added for surface calc's + -log_k -36 +Pyrolusite # H2O added for surface calc's MnO2:H2O + 4 H+ + 2 e- = Mn+2 + 3 H2O - -log_k 41.38 - -delta_h -65.110 kcal + -log_k 41.38 + -delta_h -65.11 kcal Hausmannite Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O - -log_k 61.03 - -delta_h -100.640 kcal + -log_k 61.03 + -delta_h -100.64 kcal Manganite MnOOH + 3 H+ + e- = Mn+2 + 2 H2O - -log_k 25.34 + -log_k 25.34 Pyrochroite Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O - -log_k 15.2 + -log_k 15.2 Halite - NaCl = Cl- + Na+ - log_k 1.570 - -delta_h 1.37 + NaCl = Cl- + Na+ + log_k 1.57 + -delta_h 1.37 #-analytic -713.4616 -.1201241 37302.21 262.4583 -2106915. -Vm 27.1 Sylvite - KCl = K+ + Cl- - log_k 0.900 - -delta_h 8.5 + KCl = K+ + Cl- + log_k 0.9 + -delta_h 8.5 # -analytic 3.984 0.0 -919.55 Vm 37.5 # Gases... CO2(g) CO2 = CO2 - -log_k -1.468 + -log_k -1.468 -delta_h -4.776 kcal - -analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5 - -T_c 304.2 # critical T, K - -P_c 72.86 # critical P, atm + -analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5 + -T_c 304.2 # critical T, K + -P_c 72.86 # critical P, atm -Omega 0.225 # acentric factor H2O(g) H2O = H2O - -log_k 1.506; delta_h -44.03 kJ - -T_c 647.3; -P_c 217.60; -Omega 0.344 - -analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6 + -log_k 1.506; delta_h -44.03 kJ + -T_c 647.3; -P_c 217.6; -Omega 0.344 + -analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6 O2(g) O2 = O2 - -log_k -2.8983 - -analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5 - -T_c 154.6; -P_c 49.80; -Omega 0.021 + -log_k -2.8983 + -analytic -7.5001 7.8981e-3 0 0 2.0027e5 + -T_c 154.6; -P_c 49.8; -Omega 0.021 H2(g) H2 = H2 - -log_k -3.1050 - -delta_h -4.184 kJ - -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 - -T_c 33.2; -P_c 12.80; -Omega -0.225 + -log_k -3.105 + -delta_h -4.184 kJ + -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 + -T_c 33.2; -P_c 12.8; -Omega -0.225 N2(g) N2 = N2 - -log_k -3.1864 - -analytic -58.453 1.818e-3 3199 17.909 -27460 - -T_c 126.2; -P_c 33.50; -Omega 0.039 + -log_k -3.1864 + -analytic -58.453 1.818e-3 3199 17.909 -27460 + -T_c 126.2; -P_c 33.5; -Omega 0.039 H2S(g) - H2S = H+ + HS- - log_k -7.93 - -delta_h 9.1 - -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 - -T_c 373.2; -P_c 88.20; -Omega 0.1 + H2S = H+ + HS- + log_k -7.93 + -delta_h 9.1 + -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 + -T_c 373.2; -P_c 88.2; -Omega 0.1 CH4(g) CH4 = CH4 -log_k -2.8 - -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C - -T_c 190.6 ; -P_c 45.40 ; -Omega 0.008 + -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C + -T_c 190.6; -P_c 45.4; -Omega 0.008 #Amm(g) # Amm = Amm NH3(g) NH3 = NH3 - -log_k 1.7966 - -analytic -18.758 3.3670e-4 2.5113e3 4.8619 39.192 - -T_c 405.6; -P_c 111.3; -Omega 0.25 + -log_k 1.7966 + -analytic -18.758 3.367e-4 2.5113e3 4.8619 39.192 + -T_c 405.6; -P_c 111.3; -Omega 0.25 # redox-uncoupled gases Oxg(g) Oxg = Oxg - -analytic -7.5001 7.8981e-3 0.0 0.0 2.0027e5 - -T_c 154.6 ; -P_c 49.80 ; -Omega 0.021 + -analytic -7.5001 7.8981e-3 0 0 2.0027e5 + -T_c 154.6; -P_c 49.8; -Omega 0.021 Hdg(g) Hdg = Hdg - -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 - -T_c 33.2 ; -P_c 12.80 ; -Omega -0.225 + -analytic -9.3114 4.6473e-3 -49.335 1.4341 1.2815e5 + -T_c 33.2; -P_c 12.8; -Omega -0.225 Ntg(g) Ntg = Ntg - -analytic -58.453 1.81800e-3 3199 17.909 -27460 - T_c 126.2 ; -P_c 33.50 ; -Omega 0.039 + -analytic -58.453 1.818e-3 3199 17.909 -27460 + T_c 126.2; -P_c 33.5; -Omega 0.039 Mtg(g) Mtg = Mtg -log_k -2.8 - -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C - -T_c 190.6 ; -P_c 45.40 ; -Omega 0.008 + -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C + -T_c 190.6; -P_c 45.4; -Omega 0.008 H2Sg(g) - H2Sg = H+ + HSg- - log_k -7.93 - -delta_h 9.1 - -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 - -T_c 373.2 ; -P_c 88.20 ; -Omega 0.1 + H2Sg = H+ + HSg- + log_k -7.93 + -delta_h 9.1 + -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 + -T_c 373.2; -P_c 88.2; -Omega 0.1 Melanterite FeSO4:7H2O = 7 H2O + Fe+2 + SO4-2 - -log_k -2.209 - -delta_h 4.910 kcal - -analytic 1.447 -0.004153 0.0 0.0 -214949.0 + -log_k -2.209 + -delta_h 4.91 kcal + -analytic 1.447 -0.004153 0 0 -214949 Alunite - KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6H2O - -log_k -1.4 - -delta_h -50.250 kcal + KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O + -log_k -1.4 + -delta_h -50.25 kcal Jarosite-K KFe3(SO4)2(OH)6 + 6 H+ = 3 Fe+3 + 6 H2O + K+ + 2 SO4-2 - -log_k -9.21 - -delta_h -31.280 kcal + -log_k -9.21 + -delta_h -31.28 kcal Zn(OH)2(e) Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O - -log_k 11.5 + -log_k 11.5 Smithsonite ZnCO3 = Zn+2 + CO3-2 - -log_k -10.0 - -delta_h -4.36 kcal + -log_k -10 + -delta_h -4.36 kcal Sphalerite ZnS + H+ = Zn+2 + HS- - -log_k -11.618 - -delta_h 8.250 kcal -Willemite 289 - Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4 - -log_k 15.33 + -log_k -11.618 + -delta_h 8.25 kcal +Willemite 289 + Zn2SiO4 + 4 H+ = 2 Zn+2 + H4SiO4 + -log_k 15.33 -delta_h -33.37 kcal Cd(OH)2 Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O - -log_k 13.65 + -log_k 13.65 Otavite 315 CdCO3 = Cd+2 + CO3-2 - -log_k -12.1 + -log_k -12.1 -delta_h -0.019 kcal -CdSiO3 328 - CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4 - -log_k 9.06 +CdSiO3 328 + CdSiO3 + H2O + 2 H+ = Cd+2 + H4SiO4 + -log_k 9.06 -delta_h -16.63 kcal -CdSO4 329 +CdSO4 329 CdSO4 = Cd+2 + SO4-2 - -log_k -0.1 + -log_k -0.1 -delta_h -14.74 kcal -Cerussite 365 +Cerussite 365 PbCO3 = Pb+2 + CO3-2 - -log_k -13.13 - -delta_h 4.86 kcal -Anglesite 384 + -log_k -13.13 + -delta_h 4.86 kcal +Anglesite 384 PbSO4 = Pb+2 + SO4-2 - -log_k -7.79 - -delta_h 2.15 kcal + -log_k -7.79 + -delta_h 2.15 kcal Pb(OH)2 389 - Pb(OH)2 + 2H+ = Pb+2 + 2H2O - -log_k 8.15 + Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O + -log_k 8.15 -delta_h -13.99 kcal EXCHANGE_MASTER_SPECIES - X X- + X X- EXCHANGE_SPECIES X- = X- - -log_k 0.0 + -log_k 0 Na+ + X- = NaX - -log_k 0.0 - -gamma 4.08 0.082 + -log_k 0 + -gamma 4.08 0.082 K+ + X- = KX - -log_k 0.7 - -gamma 3.5 0.015 - -delta_h -4.3 # Jardine & Sparks, 1984 + -log_k 0.7 + -gamma 3.5 0.015 + -delta_h -4.3 # Jardine & Sparks, 1984 Li+ + X- = LiX - -log_k -0.08 - -gamma 6.0 0 - -delta_h 1.4 # Merriam & Thomas, 1956 + -log_k -0.08 + -gamma 6 0 + -delta_h 1.4 # Merriam & Thomas, 1956 # !!!!! # H+ + X- = HX @@ -1355,65 +1359,65 @@ EXCHANGE_SPECIES # AmmH+ + X- = AmmHX NH4+ + X- = NH4X - -log_k 0.6 - -gamma 2.5 0 - -delta_h -2.4 # Laudelout et al., 1968 - - Ca+2 + 2X- = CaX2 - -log_k 0.8 - -gamma 5.0 0.165 - -delta_h 7.2 # Van Bladel & Gheyl, 1980 - - Mg+2 + 2X- = MgX2 - -log_k 0.6 - -gamma 5.5 0.2 - -delta_h 7.4 # Laudelout et al., 1968 - - Sr+2 + 2X- = SrX2 - -log_k 0.91 - -gamma 5.26 0.121 - -delta_h 5.5 # Laudelout et al., 1968 - - Ba+2 + 2X- = BaX2 - -log_k 0.91 - -gamma 4.0 0.153 - -delta_h 4.5 # Laudelout et al., 1968 - - Mn+2 + 2X- = MnX2 - -log_k 0.52 - -gamma 6.0 0 - - Fe+2 + 2X- = FeX2 - -log_k 0.44 - -gamma 6.0 0 - - Cu+2 + 2X- = CuX2 - -log_k 0.6 - -gamma 6.0 0 - - Zn+2 + 2X- = ZnX2 - -log_k 0.8 - -gamma 5.0 0 - - Cd+2 + 2X- = CdX2 - -log_k 0.8 - -gamma 0.0 0 - - Pb+2 + 2X- = PbX2 - -log_k 1.05 - -gamma 0.0 0 - - Al+3 + 3X- = AlX3 - -log_k 0.41 - -gamma 9.0 0 - - AlOH+2 + 2X- = AlOHX2 - -log_k 0.89 - -gamma 0.0 0 + -log_k 0.6 + -gamma 2.5 0 + -delta_h -2.4 # Laudelout et al., 1968 + + Ca+2 + 2 X- = CaX2 + -log_k 0.8 + -gamma 5 0.165 + -delta_h 7.2 # Van Bladel & Gheyl, 1980 + + Mg+2 + 2 X- = MgX2 + -log_k 0.6 + -gamma 5.5 0.2 + -delta_h 7.4 # Laudelout et al., 1968 + + Sr+2 + 2 X- = SrX2 + -log_k 0.91 + -gamma 5.26 0.121 + -delta_h 5.5 # Laudelout et al., 1968 + + Ba+2 + 2 X- = BaX2 + -log_k 0.91 + -gamma 4 0.153 + -delta_h 4.5 # Laudelout et al., 1968 + + Mn+2 + 2 X- = MnX2 + -log_k 0.52 + -gamma 6 0 + + Fe+2 + 2 X- = FeX2 + -log_k 0.44 + -gamma 6 0 + + Cu+2 + 2 X- = CuX2 + -log_k 0.6 + -gamma 6 0 + + Zn+2 + 2 X- = ZnX2 + -log_k 0.8 + -gamma 5 0 + + Cd+2 + 2 X- = CdX2 + -log_k 0.8 + -gamma 0 0 + + Pb+2 + 2 X- = PbX2 + -log_k 1.05 + -gamma 0 0 + + Al+3 + 3 X- = AlX3 + -log_k 0.41 + -gamma 9 0 + + AlOH+2 + 2 X- = AlOHX2 + -log_k 0.89 + -gamma 0 0 SURFACE_MASTER_SPECIES - Hfo_s Hfo_sOH - Hfo_w Hfo_wOH + Hfo_s Hfo_sOH + Hfo_w Hfo_wOH SURFACE_SPECIES # All surface data from # Dzombak and Morel, 1990 @@ -1424,24 +1428,24 @@ SURFACE_SPECIES # strong binding site--Hfo_s, Hfo_sOH = Hfo_sOH - -log_k 0 + -log_k 0 Hfo_sOH + H+ = Hfo_sOH2+ - -log_k 7.29 # = pKa1,int + -log_k 7.29 # = pKa1,int Hfo_sOH = Hfo_sO- + H+ - -log_k -8.93 # = -pKa2,int + -log_k -8.93 # = -pKa2,int # weak binding site--Hfo_w Hfo_wOH = Hfo_wOH - -log_k 0 + -log_k 0 Hfo_wOH + H+ = Hfo_wOH2+ - -log_k 7.29 # = pKa1,int + -log_k 7.29 # = pKa1,int Hfo_wOH = Hfo_wO- + H+ - -log_k -8.93 # = -pKa2,int + -log_k -8.93 # = -pKa2,int ############################################### # CATIONS # ############################################### @@ -1450,52 +1454,52 @@ SURFACE_SPECIES # # Calcium Hfo_sOH + Ca+2 = Hfo_sOHCa+2 - -log_k 4.97 + -log_k 4.97 Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ -log_k -5.85 # Strontium Hfo_sOH + Sr+2 = Hfo_sOHSr+2 - -log_k 5.01 + -log_k 5.01 Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+ -log_k -6.58 - Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+ + Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+ -log_k -17.6 # Barium Hfo_sOH + Ba+2 = Hfo_sOHBa+2 - -log_k 5.46 + -log_k 5.46 Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+ - -log_k -7.2 # table 10.5 + -log_k -7.2 # table 10.5 # # Cations from table 10.2 # # Cadmium Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+ - -log_k 0.47 + -log_k 0.47 Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+ - -log_k -2.91 + -log_k -2.91 # Zinc Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+ - -log_k 0.99 + -log_k 0.99 Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+ - -log_k -1.99 + -log_k -1.99 # Copper Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+ - -log_k 2.89 + -log_k 2.89 Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+ - -log_k 0.6 # table 10.5 + -log_k 0.6 # table 10.5 # Lead Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+ - -log_k 4.65 + -log_k 4.65 Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+ - -log_k 0.3 # table 10.5 + -log_k 0.3 # table 10.5 # # Derived constants table 10.5 # @@ -1504,18 +1508,18 @@ SURFACE_SPECIES -log_k -4.6 # Manganese Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+ - -log_k -0.4 # table 10.5 + -log_k -0.4 # table 10.5 Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+ - -log_k -3.5 # table 10.5 + -log_k -3.5 # table 10.5 # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, EST 36, 3096 Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ - -log_k -0.95 + -log_k -0.95 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+ -log_k -2.98 - Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+ + Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2 H+ -log_k -11.55 ############################################### # ANIONS # @@ -1524,51 +1528,51 @@ SURFACE_SPECIES # Anions from table 10.6 # # Phosphate - Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O - -log_k 31.29 + Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O + -log_k 31.29 - Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O - -log_k 25.39 + Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O + -log_k 25.39 Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O - -log_k 17.72 + -log_k 17.72 # # Anions from table 10.7 # # Borate Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O - -log_k 0.62 + -log_k 0.62 # # Anions from table 10.8 # # Sulfate Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O - -log_k 7.78 + -log_k 7.78 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 - -log_k 0.79 + -log_k 0.79 # # Derived constants table 10.10 # Hfo_wOH + F- + H+ = Hfo_wF + H2O - -log_k 8.7 + -log_k 8.7 Hfo_wOH + F- = Hfo_wOHF- - -log_k 1.6 + -log_k 1.6 # # Carbonate: Van Geen et al., 1994 reoptimized for D&M model # Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O - -log_k 12.56 + -log_k 12.56 - Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O - -log_k 20.62 + Hfo_wOH + CO3-2 + 2 H+ = Hfo_wHCO3 + H2O + -log_k 20.62 # # Silicate: Swedlund, P.J. and Webster, J.G., 1999. Water Research 33, 3413-3422. # - Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O ; log_K 4.28 - Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O ; log_K -3.22 - Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2H+ + H2O ; log_K -11.69 + Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O ; log_K 4.28 + Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O; log_K -3.22 + Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2 H+ + H2O; log_K -11.69 MEAN_GAMMAS CaCl2 Ca+2 1 Cl- 2 @@ -1610,15 +1614,15 @@ RATES Quartz -start -1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683 -2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol -3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259) -4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz -5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35 +1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683 +2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol +3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259) +4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz +5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35 10 dif_temp = 1/TK - 1/298 20 pk_w = 13.7 + 4700.4 * dif_temp -40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz")) +40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz")) # Integrate... 50 SAVE moles * TIME -end @@ -1663,38 +1667,38 @@ Quartz K-feldspar -start -1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 -2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar -3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) -5 REM K-Feldspar parameters -10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 -20 RESTORE 10 -30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH -40 DATA 3500, 2000, 2500, 2000 -50 RESTORE 40 -60 READ e_H, e_H2O, e_OH, e_CO2 -70 pk_CO2 = 13 -80 n_CO2 = 0.6 +1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 +2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar +3 REM PARM(2) = Adjusts lab rate to field rate +4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +5 REM K-Feldspar parameters +10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 +20 RESTORE 10 +30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH +40 DATA 3500, 2000, 2500, 2000 +50 RESTORE 40 +60 READ e_H, e_H2O, e_OH, e_CO2 +70 pk_CO2 = 13 +80 n_CO2 = 0.6 100 REM Generic rate follows 110 dif_temp = 1/TK - 1/281 -120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") +120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") 130 REM rate by H+ -140 pk_H = pk_H + e_H * dif_temp -150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) +140 pk_H = pk_H + e_H * dif_temp +150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) 160 REM rate by hydrolysis -170 pk_H2O = pk_H2O + e_H2O * dif_temp +170 pk_H2O = pk_H2O + e_H2O * dif_temp 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC) 190 REM rate by OH- -200 pk_OH = pk_OH + e_OH * dif_temp -210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH +200 pk_OH = pk_OH + e_OH * dif_temp +210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH 220 REM rate by CO2 -230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp +230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2 -250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 -260 area = PARM(1) * M0 *(M/M0)^0.67 -270 rate = PARM(2) * area * rate * (1-SR("K-feldspar")) -280 moles = rate * TIME +250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 +260 area = PARM(1) * M0 *(M/M0)^0.67 +270 rate = PARM(2) * area * rate * (1-SR("K-feldspar")) +280 moles = rate * TIME 290 SAVE moles -end @@ -1738,38 +1742,38 @@ K-feldspar Albite -start -1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 -2 REM PARM(1) = Specific area of Albite m^2/mol Albite -3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) -5 REM Albite parameters -10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3 -20 RESTORE 10 -30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH -40 DATA 3500, 2000, 2500, 2000 -50 RESTORE 40 -60 READ e_H, e_H2O, e_OH, e_CO2 -70 pk_CO2 = 13 -80 n_CO2 = 0.6 +1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 +2 REM PARM(1) = Specific area of Albite m^2/mol Albite +3 REM PARM(2) = Adjusts lab rate to field rate +4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +5 REM Albite parameters +10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3 +20 RESTORE 10 +30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH +40 DATA 3500, 2000, 2500, 2000 +50 RESTORE 40 +60 READ e_H, e_H2O, e_OH, e_CO2 +70 pk_CO2 = 13 +80 n_CO2 = 0.6 100 REM Generic rate follows 110 dif_temp = 1/TK - 1/281 -120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") +120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") 130 REM rate by H+ -140 pk_H = pk_H + e_H * dif_temp -150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) +140 pk_H = pk_H + e_H * dif_temp +150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) 160 REM rate by hydrolysis -170 pk_H2O = pk_H2O + e_H2O * dif_temp +170 pk_H2O = pk_H2O + e_H2O * dif_temp 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC) 190 REM rate by OH- -200 pk_OH = pk_OH + e_OH * dif_temp -210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH +200 pk_OH = pk_OH + e_OH * dif_temp +210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH 220 REM rate by CO2 -230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp +230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2 -250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 -260 area = PARM(1) * M0 *(M/M0)^0.67 -270 rate = PARM(2) * area * rate * (1-SR("Albite")) -280 moles = rate * TIME +250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 +260 area = PARM(1) * M0 *(M/M0)^0.67 +270 rate = PARM(2) * area * rate * (1-SR("Albite")) +280 moles = rate * TIME 290 SAVE moles -end @@ -1777,7 +1781,7 @@ Albite #Calcite ######## # Example of KINETICS data block for calcite rate, -# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257. +# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257 # KINETICS 1 # Calcite # -tol 1e-8 @@ -1788,16 +1792,16 @@ Albite Calcite -start -1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite -2 REM PARM(2) = exponent for M/M0 - -10 si_cc = SI("Calcite") -20 IF (M <= 0 and si_cc < 0) THEN GOTO 200 -30 k1 = 10^(0.198 - 444.0 / TK ) -40 k2 = 10^(2.84 - 2177.0 /TK ) -50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK) -60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK ) -80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M +1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite +2 REM PARM(2) = exponent for M/M0 + +10 si_cc = SI("Calcite") +20 IF (M <= 0 and si_cc < 0) THEN GOTO 200 +30 k1 = 10^(0.198 - 444 / TK ) +40 k2 = 10^(2.84 - 2177 /TK ) +50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317 / TK) +60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737 / TK ) +80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M 110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O")) 120 rate = rate * (1 - 10^(2/3*si_cc)) 130 moles = rate * 0.001 * TIME # convert from mmol to mol @@ -1822,18 +1826,18 @@ Calcite # -time 1 day in 10 Pyrite -start -1 REM Williamson and Rimstidt, 1994 -2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite) -3 REM PARM(2) = exp for (M/M0) -4 REM PARM(3) = exp for O2 -5 REM PARM(4) = exp for H+ - -10 REM Dissolution in presence of DO -20 if (M <= 0) THEN GOTO 200 -30 if (SI("Pyrite") >= 0) THEN GOTO 200 -40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+") -50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0) -60 moles = 10^(log_area + log_rate) * TIME +1 REM Williamson and Rimstidt, 1994 +2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite) +3 REM PARM(2) = exp for (M/M0) +4 REM PARM(3) = exp for O2 +5 REM PARM(4) = exp for H+ + +10 REM Dissolution in presence of DO +20 if (M <= 0) THEN GOTO 200 +30 if (SI("Pyrite") >= 0) THEN GOTO 200 +40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+") +50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0) +60 moles = 10^(log_area + log_rate) * TIME 200 SAVE moles -end @@ -1850,19 +1854,19 @@ Pyrite # -time 30 year in 15 Organic_C -start -1 REM Additive Monod kinetics for SOC (sediment organic carbon) -2 REM Electron acceptors: O2, NO3, and SO4 - -10 if (M <= 0) THEN GOTO 200 -20 mO2 = MOL("O2") -30 mNO3 = TOT("N(5)") -40 mSO4 = TOT("S(6)") -50 k_O2 = 1.57e-9 # 1/sec -60 k_NO3 = 1.67e-11 # 1/sec -70 k_SO4 = 1.e-13 # 1/sec -80 rate = k_O2 * mO2/(2.94e-4 + mO2) -90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3) -100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4) +1 REM Additive Monod kinetics for SOC (sediment organic carbon) +2 REM Electron acceptors: O2, NO3, and SO4 + +10 if (M <= 0) THEN GOTO 200 +20 mO2 = MOL("O2") +30 mNO3 = TOT("N(5)") +40 mSO4 = TOT("S(6)") +50 k_O2 = 1.57e-9 # 1/sec +60 k_NO3 = 1.67e-11 # 1/sec +70 k_SO4 = 1.e-13 # 1/sec +80 rate = k_O2 * mO2/(2.94e-4 + mO2) +90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3) +100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4) 110 moles = rate * M * (M/M0) * TIME 200 SAVE moles -end @@ -1883,14 +1887,14 @@ Organic_C # -time 0.5 day in 10 Pyrolusite -start -10 if (M <= 0) THEN GOTO 200 -20 sr_pl = SR("Pyrolusite") -30 if (sr_pl > 1) THEN GOTO 100 -40 REM sr_pl <= 1, undersaturated -50 Fe_t = TOT("Fe(2)") -60 if Fe_t < 1e-8 then goto 200 -70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl) -80 GOTO 200 +10 if (M <= 0) THEN GOTO 200 +20 sr_pl = SR("Pyrolusite") +30 if (sr_pl > 1) THEN GOTO 100 +40 REM sr_pl <= 1, undersaturated +50 Fe_t = TOT("Fe(2)") +60 if Fe_t < 1e-8 then goto 200 +70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl) +80 GOTO 200 100 REM sr_pl > 1, supersaturated 110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME 200 SAVE moles * SOLN_VOL @@ -1914,12 +1918,12 @@ Pyrolusite # Calcite # Plummer, Wigley, Parkhurst 1978, AJS 278, 179-216. # Quartz_PK # Palandri and Kharaka # Quartz_Svd # Sverdrup -# Quartz_Hermanska # +# Quartz_Hermanska # # Quartz_Rimstidt_Barnes # Montmorillonite # Na, K, Mg, Ca exchange, Hermanska rate for the TOT layer # PHASES # defined for formulas and affinities of kinetic (mostly) dissolving minerals -# Unless noted otherwise, data from ThermoddemV1.10_15Dec2020.dat, +# Unless noted otherwise, data from ThermoddemV1.10_15Dec2020.dat, # tidied with lsp.exe from https://phreeplot.org/lsp/lsp.html Actinolite # Hornblende, Ferroactinolite @@ -2692,31 +2696,31 @@ Wollastonite -6.97 700 56 0.4 0 0 # 20 rate = RATE_PK("Albite") # 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 # 40 SAVE area * rate * affinity * TIME -# -end +# -end # KINETICS 1 # Albite_PK -# -formula NaAlSi3O8; -parms 0 1 1 0.67 +# -formula NaAlSi3O8; -parms 0 1 1 0.67 # -m0 1; -time 1 # default # END # SOLUTION 1 -# PHASES - # Fix_pH; H+ = H+ - # LiBr; LiBr = Li+ + Br-; -log_k -20 # (very) unsoluble phase with base cation and acid anion, permits to use HBr or LiOH as reactant +# PHASES + # Fix_pH; H+ = H+ + # LiBr; LiBr = Li+ + Br-; -log_k -20 # (very) unsoluble phase with base cation and acid anion, permits to use HBr or LiOH as reactant # SELECTED_OUTPUT 1 - # -file kinetic_rates_pH.inc - # -reset false -# USER_PUNCH 1 # write out the pH's to equilibrate... + # -file kinetic_rates_pH.inc + # -reset false +# USER_PUNCH 1 # write out the pH's to equilibrate... # 10 FOR i = 0 to 14 STEP 0.5 - # 20 punch EOL$ + 'USE solution 1' - # 30 punch EOL$ + 'EQUILIBRIUM_PHASES 1' - # 40 punch EOL$ + ' LiBr' - # 50 punch EOL$ + ' Fix_pH ' + TRIM(STR$(-i)) + ' LiOH 10' # ...or HBr as reactant - # 60 punch EOL$ + 'USE kinetics 1' - # 70 punch EOL$ + 'END' - # 80 NEXT i -# END + # 20 punch EOL$ + 'USE solution 1' + # 30 punch EOL$ + 'EQUILIBRIUM_PHASES 1' + # 40 punch EOL$ + ' LiBr' + # 50 punch EOL$ + ' Fix_pH ' + TRIM(STR$(-i)) + ' LiOH 10' # ...or HBr as reactant + # 60 punch EOL$ + 'USE kinetics 1' + # 70 punch EOL$ + 'END' + # 80 NEXT i +# END # PRINT; -reset false # SELECTED_OUTPUT 1; -active false @@ -2725,7 +2729,7 @@ Wollastonite -6.97 700 56 0.4 0 0 # -axis_scale x_axis 0 14 # 10 graph_x -la("H+") # 20 graph_sy log10(tot("Al")) -# INCLUDE$ kinetic_rates_pH.inc +# INCLUDE$ kinetic_rates_pH.inc # END # RATES @@ -2735,18 +2739,18 @@ Wollastonite -6.97 700 56 0.4 0 0 # 20 rate = RATE_SVD("Albite") # 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 # 40 SAVE area * rate * affinity * TIME -# -end +# -end # KINETICS 1 # Albite_Svd -# -formula NaAlSi3O8; -parms 0 1 20 0.67 # roughness = 20 +# -formula NaAlSi3O8; -parms 0 1 20 0.67 # roughness = 20 # USER_GRAPH 1; -headings pH Sverdup*20 # INCLUDE$ kinetic_rates_pH.inc # END # KINETICS 1 # Albite # from Sverdrup and Warfvinge, 1995 -# -formula NaAlSi3O8; -parms 1 20 # roughness = 20 +# -formula NaAlSi3O8; -parms 1 20 # roughness = 20 # USER_GRAPH 1; -headings pH Sverdup`95*20 # INCLUDE$ kinetic_rates_pH.inc # END @@ -2758,18 +2762,18 @@ Wollastonite -6.97 700 56 0.4 0 0 # 20 rate = RATE_HERMANSKA("Albite") # 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 # 40 SAVE area * rate * affinity * TIME -# -end +# -end # KINETICS 1 # Albite_Hermanska -# -formula NaAlSi3O8; -parms 0 1 1 0.67 +# -formula NaAlSi3O8; -parms 0 1 1 0.67 # USER_GRAPH 1; -headings pH Hermanska # INCLUDE$ kinetic_rates_pH.inc # END # USE solution 1 # REACTION_TEMPERATURE 1; 25 25 in 21 -# USER_GRAPH 1; -headings Albite_data +# USER_GRAPH 1; -headings Albite_data # 10 data 1.1, 2.05, 2.45, 2.9, 3, 3.5, 4.1, 5.1, 5.35, 5.47, 5.63, 5.63, 5.73, 7.73, 9.95, 9.95, 9.95, 10.6, 11.2, 11.55, 12.3 # 20 data -10.25, -10.55, -10.82, -11.25, -11.1, -11.4, -11.47, -11.82, -11.75, -11.65, -11.83, -11.92, -11.92, -11.83, -10.97, -11.05, -11.13, -10.95, -10.55, -10.6, -10.38 # Chou, L., Wollast, R., 1985. Steady-state kinetics and dissolution mechanisms of albite. Am. J. Sci. 285, 963–993. # 30 restore 10 : dim ph(21) : for i = 1 to step_no : read ph(i) : next i @@ -2791,13 +2795,13 @@ Wollastonite -6.97 700 56 0.4 0 0 # 20 rate = RATE_PK("calcite") # 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 # 40 SAVE area * rate * affinity * TIME -# -end +# -end # SOLUTION 1 # pH 7 charge; C(4) 1 CO2(g) -2.5 # KINETICS 1 # calcite_PK -# -formula CaCO3; -parms 0 1e-2 1 0.67 +# -formula CaCO3; -parms 0 1e-2 1 0.67 # -time 0.1 10*1 hour # INCREMENTAL_REACTIONS true # USER_GRAPH 2; -headings h Palandri_SI(CO2_g).=.-2.5 @@ -2844,7 +2848,7 @@ Wollastonite -6.97 700 56 0.4 0 0 # 20 rate = RATE_PK("Quartz") # 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 # 40 SAVE area * rate * affinity * TIME -# -end +# -end # SOLUTION 1 # pH 7 charge @@ -2860,13 +2864,13 @@ Wollastonite -6.97 700 56 0.4 0 0 # END # RATES -# Quartz_Hermanska # +# Quartz_Hermanska # # 5 REM PARMS: 1 affinity, 2 m^2/mol, 3 roughness, 4 exponent # 10 if parm(1) = 1 then affinity = 1 else affinity = 1 - SR("Quartz") : if affinity < parm(1) then SAVE 0 : END # 20 rate = RATE_HERMANSKA("Quartz") # 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 # 40 SAVE area * rate * affinity * TIME -# -end +# -end # USE solution 1 # KINETICS 1 @@ -2885,7 +2889,7 @@ Wollastonite -6.97 700 56 0.4 0 0 # 20 rate = RATE_SVD("Quartz") # 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 # 40 SAVE area * rate * affinity * TIME -# -end +# -end # USE solution 1 # KINETICS 1 @@ -2939,12 +2943,12 @@ Wollastonite -6.97 700 56 0.4 0 0 # END # # Example input file for calculating kinetic dissolution of Montmorillonite, -# # a solid solution with exchangeable cations reacting fast; +# # a solid solution with exchangeable cations reacting fast # # their ratios are related to the changing solution composition, # # and their amounts are connected to the kinetic reacting TOT layer. # # # # The affinity is related to a solid solution member, given by the fraction of the -# # exchangeable cation (here Na+ or Ca+2). For the Gapon exchange formula, +# # exchangeable cation (here Na+ or Ca+2). For the Gapon exchange formula, # # the exchange species and their log_k`s are from the solid solution members in ThermoddemV1 # # For the Gaines Thomas formula, the Mg+2 and Ca+2 species are redefined. # # It also shows how the default X exchanger can be invkoed. @@ -2973,17 +2977,17 @@ Wollastonite -6.97 700 56 0.4 0 0 # 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 # 40 SAVE area * rate * affinity * TIME -# -end +# -end # EXCHANGE_MASTER_SPECIES # X_montm_mg X_montm_mg-0.34 # EXCHANGE_SPECIES # # The Gapon formulation is easiest... # X_montm_mg-0.34 = X_montm_mg-0.34 -# 0.34 Na+ + X_montm_mg-0.34 = Na0.34X_montm_mg; log_k -3.411 # 0 # -# 0.34 K+ + X_montm_mg-0.34 = K0.34X_montm_mg; log_k -2.830 # 0.581 # -# 0.17 Mg+2 + X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -3.708 # -0.297 # -# 0.17 Ca+2 + X_montm_mg-0.34 = Ca0.17X_montm_mg; log_k -4.222 # -0.811 # +# 0.34 Na+ + X_montm_mg-0.34 = Na0.34X_montm_mg; log_k -3.411 # 0 # +# 0.34 K+ + X_montm_mg-0.34 = K0.34X_montm_mg; log_k -2.83 # 0.581 # +# 0.17 Mg+2 + X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -3.708 # -0.297 # +# 0.17 Ca+2 + X_montm_mg-0.34 = Ca0.17X_montm_mg; log_k -4.222 # -0.811 # # # # The divalent cations have rather low log_k, cf. A&P, p.254, log_k Ca0.5X ~ log_k KX # # # uncomment the following lines to see the effect... @@ -3004,8 +3008,8 @@ Wollastonite -6.97 700 56 0.4 0 0 # # 0.17 Mg+2 + X_montm_mg-0.34 = Mg0.17X_montm_mg; log_k -3.708e10 # # 0.17 Ca+2 + X_montm_mg-0.34 = Ca0.17X_montm_mg; log_k -4.222e10 # # # write the Gaines-Thomas formulas... -# # 0.34 Mg+2 + 2 X_montm_mg-0.34 = Mg0.34X_montm_mg2 ; log_k -7.416 # -0.297 # -# # 0.34 Ca+2 + 2 X_montm_mg-0.34 = Ca0.34X_montm_mg2 ; log_k -8.444 # -0.811 # +# # 0.34 Mg+2 + 2 X_montm_mg-0.34 = Mg0.34X_montm_mg2 ; log_k -7.416 # -0.297 # +# # 0.34 Ca+2 + 2 X_montm_mg-0.34 = Ca0.34X_montm_mg2 ; log_k -8.444 # -0.811 # # # # The default exchanger X can be used, uncomment the follwing lines # # # redefine f_Na in the rate... @@ -3017,7 +3021,7 @@ Wollastonite -6.97 700 56 0.4 0 0 # # 20 rate = RATE_HERMANSKA("Montmorillonite") / f_Na # # 30 IF M > 0 THEN area = M * parm(2) * parm(3) * (M/M0)^parm(4) ELSE area = 0 # # 40 SAVE area * rate * affinity * TIME -# # -end +# # -end # # # adapt log_k`s of the solids with default exchanger X: # # PHASES # # Montmorillonite(MgK) @@ -3033,7 +3037,7 @@ Wollastonite -6.97 700 56 0.4 0 0 # END # SOLUTION 1 -# pH 7 charge; +# pH 7 charge # Na 1e-5 # K 1e-5 # Mg 1e-5 @@ -3069,7 +3073,7 @@ Wollastonite -6.97 700 56 0.4 0 0 # X_montm_mg Montmorillonite kin 1; -equil 99 # comment in KINETICS: # X_montm_mg -1 # # X Montmorillonite kin 0.34; -equil 99 # default exchanger X, comment in KINETICS: # X_montm_mg -1 # KINETICS 1 -# Montmorillonite +# Montmorillonite # -formula Mg0.34Al1.66Si4O10(OH)2 1 # X_montm_mg -1 # -m 4e-2 # -parms 0 2.5e5 1 0.67 @@ -3088,20 +3092,20 @@ Wollastonite -6.97 700 56 0.4 0 0 # 20 GRAPH_Y TOT("Na"), TOT("K"), mg, ca # 30 GRAPH_SY (4e-2 - kin("Montmorillonite")) * 1e3 # END -# USE solution 99; REACTION +# USE solution 99; REACTION # USER_GRAPH 4; -connect_simulations false; -headings Solution_99 # 1 t = get(1) -# 10 plot_xy t, tot("Na"), symbol = Circle , symbol_size = 15, color = Red -# 20 plot_xy t, tot("K"), symbol = Circle , symbol_size = 15, color = Green -# 30 plot_xy t, tot("Mg"), symbol = Circle , symbol_size = 15, color = Blue -# 40 plot_xy t, tot("Ca"), symbol = Circle , symbol_size = 15, color = Orange +# 10 plot_xy t, tot("Na"), symbol = Circle , symbol_size = 15, color = Red +# 20 plot_xy t, tot("K"), symbol = Circle , symbol_size = 15, color = Green +# 30 plot_xy t, tot("Mg"), symbol = Circle , symbol_size = 15, color = Blue +# 40 plot_xy t, tot("Ca"), symbol = Circle , symbol_size = 15, color = Orange # ============================================================================================= -#(a) means amorphous. (d) means disordered, or less crystalline. -#(14A) refers to 14 angstrom spacing of clay planes. FeS(ppt), -#precipitated, indicates an initial precipitate that is less crystalline. +#(a) means amorphous. (d) means disordered, or less crystalline. +#(14A) refers to 14 angstrom spacing of clay planes. FeS(ppt), +#precipitated, indicates an initial precipitate that is less crystalline. #Zn(OH)2(e) indicates a specific crystal form, epsilon. -# ============================================================================================= +# ============================================================================================= # For the reaction aA + bB = cC + dD, # with delta_v = c*Vm(C) + d*Vm(D) - a*Vm(A) - b*Vm(B), # PHREEQC adds the pressure term to log_k: -= delta_v * (P - 1) / (2.3RT). @@ -3157,4 +3161,4 @@ Wollastonite -6.97 700 56 0.4 0 0 # # ============================================================================================= # It remains the responsibility of the user to check the calculated results, for example with -# measured solubilities as a function of (P, T). \ No newline at end of file +# measured solubilities as a function of (P, T). diff --git a/database/pitzer.dat b/database/pitzer.dat index fa4ef2e82..66e866146 100644 --- a/database/pitzer.dat +++ b/database/pitzer.dat @@ -1,42 +1,46 @@ +# File 1 = C:\GitPrograms\phreeqc3-1\database\pitzer.dat, 07/05/2024 14:37, 1032 lines, 37439 bytes, md5=8c8a391e10b8f6a9fabafe33d779565e +# Created 17 May 2024 14:30:44 +# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "pitzer.dat" + # Pitzer.DAT for calculating temperature and pressure dependence of reactions, and the specific conductance and viscosity of the solution, using # diffusion coefficients of species, molal volumina of aqueous species and minerals, and critical temperatures and pressures of gases used in Peng-Robinson's EOS. # Details are given at the end of this file. SOLUTION_MASTER_SPECIES -Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05 -B B(OH)3 0 B 10.81 -Ba Ba+2 0 Ba 137.33 -Br Br- 0 Br 79.904 -C CO3-2 2 HCO3 12.0111 -C(4) CO3-2 2 HCO3 12.0111 -Ca Ca+2 0 Ca 40.08 -Cl Cl- 0 Cl 35.453 -E e- 0 0.0 0.0 -Fe Fe+2 0 Fe 55.847 -H H+ -1 H 1.008 -H(1) H+ -1 0.0 -K K+ 0 K 39.0983 -Li Li+ 0 Li 6.941 -Mg Mg+2 0 Mg 24.305 -Mn Mn+2 0 Mn 54.938 -Na Na+ 0 Na 22.9898 -O H2O 0 O 16.00 -O(-2) H2O 0 0.0 -S SO4-2 0 SO4 32.064 -S(6) SO4-2 0 SO4 -Si H4SiO4 0 SiO2 28.0843 -Sr Sr+2 0 Sr 87.62 -# redox-uncoupled gases -Hdg Hdg 0 Hdg 2.016 # H2 gas -Oxg Oxg 0 Oxg 32 # Oxygen gas -Mtg Mtg 0 Mtg 16.032 # CH4 gas -Sg H2Sg 0 H2Sg 32.064 # H2S gas -Ntg Ntg 0 Ntg 28.0134 # N2 gas +Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05 +B B(OH)3 0 B 10.81 +Ba Ba+2 0 Ba 137.33 +Br Br- 0 Br 79.904 +C CO3-2 2 HCO3 12.0111 +C(4) CO3-2 2 HCO3 12.0111 +Ca Ca+2 0 Ca 40.08 +Cl Cl- 0 Cl 35.453 +E e- 1 0.0 0.0 +Fe Fe+2 0 Fe 55.847 +H H+ -1 H 1.008 +H(1) H+ -1 0.0 +K K+ 0 K 39.0983 +Li Li+ 0 Li 6.941 +Mg Mg+2 0 Mg 24.305 +Mn Mn+2 0 Mn 54.938 +Na Na+ 0 Na 22.9898 +O H2O 0 O 16.00 +O(-2) H2O 0 0.0 +S SO4-2 0 SO4 32.064 +S(6) SO4-2 0 SO4 +Si H4SiO4 0 SiO2 28.0843 +Sr Sr+2 0 Sr 87.62 +# redox-uncoupled gases +Hdg Hdg 0 Hdg 2.016 # H2 gas +Oxg Oxg 0 Oxg 32 # Oxygen gas +Mtg Mtg 0 Mtg 16.032 # CH4 gas +Sg H2Sg 0 H2Sg 32.064 # H2S gas +Ntg Ntg 0 Ntg 28.0134 # N2 gas SOLUTION_SPECIES H+ = H+ - -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.570 # for viscosity parameters see ref. 4 - -dw 9.31e-9 823 5.55 0 3.07 24.01 0 + -viscosity 9.35e-2 -8.31e-2 2.487e-2 4.49e-4 2.01e-2 1.57 # for viscosity parameters see ref. 4 + -dw 9.31e-9 823 5.55 0 3.07 24.01 0 # Dw(25 C) dw_T a a2 visc a3 a_v_dif # Dw(TK) = 9.31e-9 * exp(823 / TK - 823 / 298.15) * viscos_0_25 / viscos_0_tc # a = DH ion size, a2 = exponent, visc = viscosity exponent, a3(H+) = 24.01 = new dw calculation from A.D. 2024, a_v_dif = exponent in (viscos_0_tc / viscos)^a_v_dif @@ -49,130 +53,130 @@ H+ = H+ # If a_v_dif <> 0, Dw(TK) *= (viscos_0_tc / viscos)^a_v_dif in TRANSPORT. e- = e- H2O = H2O - -dw 2.299e-9 -254 + -dw 2.299e-9 -254 Li+ = Li+ - -Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # The apparent volume parameters are defined in ref. 1 & 2. For Li+ additional data from Ellis, 1968, J. Chem. Soc. A, 1138 - -viscosity 0.162 -2.45e-2 3.73e-2 9.7e-4 8.1e-4 2.087 # < 10 M LiCl - -dw 1.03e-9 -14 4.03 0.8341 1.679 + -Vm -0.419 -0.069 13.16 -2.78 0.416 0 0.296 -12.4 -2.74e-3 1.26 # The apparent volume parameters are defined in ref. 1 & 2 For Li+ additional data from Ellis, 1968, J. Chem. Soc. A, 1138 + -viscosity 0.162 -2.45e-2 3.73e-2 9.7e-4 8.1e-4 2.087 # < 10 M LiCl + -dw 1.03e-9 -14 4.03 0.8341 1.679 Na+ = Na+ - -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 + -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.566 # for calculating densities (rho) when I > 3... # -Vm 2.28 -4.38 -4.1 -0.586 0.09 4 0.3 52 -3.33e-3 0.45 - -viscosity 0.1387 -8.66e-2 1.25e-2 1.45e-2 7.5e-3 1.062 - -dw 1.33e-9 75 3.627 0 0.7037 + -viscosity 0.1387 -8.66e-2 1.25e-2 1.45e-2 7.5e-3 1.062 + -dw 1.33e-9 75 3.627 0 0.7037 K+ = K+ - -Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 - -viscosity 0.116 -0.191 1.52e-2 1.40e-2 2.59e-2 0.9028 - -dw 1.96e-9 254 3.484 0 0.1964 + -Vm 3.322 -1.473 6.534 -2.712 9.06e-2 3.5 0 29.7 0 1 + -viscosity 0.116 -0.191 1.52e-2 1.4e-2 2.59e-2 0.9028 + -dw 1.96e-9 254 3.484 0 0.1964 Mg+2 = Mg+2 - -Vm -1.410 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 - -viscosity 0.426 0 0 1.66e-3 4.32e-3 2.461 - -dw 0.705e-9 -4 5.569 0 1.047 + -Vm -1.41 -8.6 11.13 -2.39 1.332 5.5 1.29 -32.9 -5.86e-3 1 + -viscosity 0.426 0 0 1.66e-3 4.32e-3 2.461 + -dw 0.705e-9 -4 5.569 0 1.047 Ca+2 = Ca+2 - -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.60 -57.1 -6.12e-3 1 # The apparent volume parameters are defined in ref. 1 & 2 - -viscosity 0.359 -0.158 4.2e-2 1.5e-3 8.04e-3 2.30 # ref. 4, CaCl2 < 6 M - -dw 0.792e-9 34 5.411 0 1.046 + -Vm -0.3456 -7.252 6.149 -2.479 1.239 5 1.6 -57.1 -6.12e-3 1 # The apparent volume parameters are defined in ref. 1 & 2 + -viscosity 0.359 -0.158 4.2e-2 1.5e-3 8.04e-3 2.3 # ref. 4, CaCl2 < 6 M + -dw 0.792e-9 34 5.411 0 1.046 Sr+2 = Sr+2 - -Vm -1.57e-2 -10.15 10.18 -2.36 0.860 5.26 0.859 -27.0 -4.1e-3 1.97 - -viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876 - -dw 0.794e-9 160 0.680 0.767 1e-9 0.912 + -Vm -1.57e-2 -10.15 10.18 -2.36 0.86 5.26 0.859 -27 -4.1e-3 1.97 + -viscosity 0.472 -0.252 5.51e-3 3.67e-3 0 1.876 + -dw 0.794e-9 160 0.68 0.767 1e-9 0.912 Ba+2 = Ba+2 - -Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1 - -viscosity 0.338 -0.227 1.39e-2 3.07e-2 0 0.768 - -dw 0.848e-9 174 10.53 0 3.0 + -Vm 2.063 -10.06 1.9534 -2.36 0.4218 5 1.58 -12.03 -8.35e-3 1 + -viscosity 0.338 -0.227 1.39e-2 3.07e-2 0 0.768 + -dw 0.848e-9 174 10.53 0 3 Mn+2 = Mn+2 - -Vm -1.10 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 # ref. 2 - -dw 0.688e-9 + -Vm -1.1 -8.03 4.08 -2.45 1.4 6 8.07 0 -1.51e-2 0.118 # ref. 2 + -dw 0.688e-9 Fe+2 = Fe+2 - -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 - -dw 0.719e-9 + -Vm -0.3255 -9.687 1.536 -2.379 0.3033 6 -4.21e-2 39.7 0 1 + -dw 0.719e-9 Cl- = Cl- - -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 - -viscosity 0 0 0 0 0 0 1 # the reference solute - -dw 2.033e-9 216 3.160 0.2071 0.7432 + -Vm 4.465 4.801 4.325 -2.847 1.748 0 -0.331 20.16 0 1 + -viscosity 0 0 0 0 0 0 1 # the reference solute + -dw 2.033e-9 216 3.16 0.2071 0.7432 CO3-2 = CO3-2 - -Vm 8.569 -10.40 -19.38 3e-4 4.61 0 2.99 0 -3.23e-2 0.872 - -viscosity 0 0.296 3.63e-2 2e-4 -1.90e-2 1.881 -1.754 - -dw 0.955e-9 -60 2.257 0.1022 0.4136 + -Vm 8.569 -10.4 -19.38 3e-4 4.61 0 2.99 0 -3.23e-2 0.872 + -viscosity 0 0.296 3.63e-2 2e-4 -1.9e-2 1.881 -1.754 + -dw 0.955e-9 -60 2.257 0.1022 0.4136 SO4-2 = SO4-2 - -Vm -7.77 43.17 176 -51.45 3.794 0 4.97 20.5 -5.77e-2 0.45 - -viscosity -4.10e-2 0.1735 1.308e-2 2.16e-4 2.83e-2 3.375 0.210 - -dw 1.07e-9 -63 0.397 0.982 1.01 + -Vm -7.77 43.17 176 -51.45 3.794 0 4.97 20.5 -5.77e-2 0.45 + -viscosity -4.1e-2 0.1735 1.308e-2 2.16e-4 2.83e-2 3.375 0.21 + -dw 1.07e-9 -63 0.397 0.982 1.01 B(OH)3 = B(OH)3 - -Vm 7.0643 8.8547 3.5844 -3.1451 -.2000 # supcrt - -dw 1.1e-9 + -Vm 7.0643 8.8547 3.5844 -3.1451 -.2 # supcrt + -dw 1.1e-9 Br- = Br- - -Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1 - -viscosity -1.16e-2 -5.23e-2 5.54e-2 1.22e-2 0.119 0.9969 0.818 - -dw 2.01e-9 139 2.949 0 1.321 + -Vm 6.72 2.85 4.21 -3.14 1.38 0 -9.56e-2 7.08 -1.56e-3 1 + -viscosity -1.16e-2 -5.23e-2 5.54e-2 1.22e-2 0.119 0.9969 0.818 + -dw 2.01e-9 139 2.949 0 1.321 H4SiO4 = H4SiO4 - -Vm 10.5 1.7 20 -2.7 0.1291 # supcrt + 2*H2O in a1 - -dw 1.10e-9 + -Vm 10.5 1.7 20 -2.7 0.1291 # supcrt 2*H2O in a1 + -dw 1.1e-9 # redox-uncoupled gases Hdg = Hdg # H2 - -Vm 6.52 0.78 0.12 # supcrt - -dw 5.13e-9 + -Vm 6.52 0.78 0.12 # supcrt + -dw 5.13e-9 Oxg = Oxg # O2 - -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt - -dw 2.35e-9 + -Vm 5.7889 6.3536 3.2528 -3.0417 -0.3943 # supcrt + -dw 2.35e-9 Mtg = Mtg # CH4 - -Vm 9.01 -1.11 0 -1.85 -1.50 # Hnedkovsky et al., 1996, JCT 28, 125 - -dw 1.85e-9 + -Vm 9.01 -1.11 0 -1.85 -1.5 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 1.85e-9 Ntg = Ntg # N2 - -Vm 7 # Pray et al., 1952, IEC 44. 1146 - -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 + -Vm 7 # Pray et al., 1952, IEC 44 1146 + -dw 1.96e-9 -90 # Cadogan et al. 2014, JCED 59, 519 H2Sg = H2Sg # H2S - -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 - -dw 2.1e-9 + -Vm 1.39 28.3 0 -7.22 -0.59 # Hnedkovsky et al., 1996, JCT 28, 125 + -dw 2.1e-9 # aqueous species H2O = OH- + H+ - -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 - -Vm -9.66 28.5 80.0 -22.9 1.89 0 1.09 0 0 1 - -viscosity -5.45e-2 0.142 1.45e-2 -3e-5 0 3.231 -1.791 # < 5 M Li,Na,KOH - -dw 5.27e-9 491 1.851 0 0.3256 + -analytic 293.29227 0.1360833 -10576.913 -123.73158 0 -6.996455e-5 + -Vm -9.66 28.5 80 -22.9 1.89 0 1.09 0 0 1 + -viscosity -5.45e-2 0.142 1.45e-2 -3e-5 0 3.231 -1.791 # < 5 M Li,Na,KOH + -dw 5.27e-9 491 1.851 0 0.3256 CO3-2 + H+ = HCO3- - log_k 10.3393; delta_h -3.561 kcal - -analytic 107.8975 0.03252849 -5151.79 -38.92561 563713.9 - -Vm 9.463 -2.49 -11.92 0 1.63 0 0 130 0 0.691 - -viscosity 0 0.633 7.2e-3 0 0 0 1.087 - -dw 1.18e-9 -108 9.955 0 1.4928 + log_k 10.3393; delta_h -3.561 kcal + -analytic 107.8975 0.03252849 -5151.79 -38.92561 563713.9 + -Vm 9.463 -2.49 -11.92 0 1.63 0 0 130 0 0.691 + -viscosity 0 0.633 7.2e-3 0 0 0 1.087 + -dw 1.18e-9 -108 9.955 0 1.4928 CO3-2 + 2 H+ = CO2 + H2O - log_k 16.6767 - delta_h -5.738 kcal - -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 - -Vm 7.29 0.92 2.07 -1.23 -1.60 # McBride et al. 2015, JCED 60, 171 - -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 + log_k 16.6767 + delta_h -5.738 kcal + -analytic 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 + -Vm 7.29 0.92 2.07 -1.23 -1.6 # McBride et al. 2015, JCED 60, 171 + -dw 1.92e-9 -120 # TK dependence from Cadogan et al. 2014, , JCED 59, 519 SO4-2 + H+ = HSO4- - -log_k 1.988; -delta_h 3.85 kcal - -analytic -56.889 0.006473 2307.9 19.8858 - -Vm 8.2 9.2590 2.1108 -3.1618 1.1748 0 -0.3 15 0 1 - -viscosity 3.29e-2 -4.86e-2 0.409 1e-5 4.23e-2 1.069 0.7371 - -dw 0.731e-9 1e3 7.082 3.0 0.860 + -log_k 1.988; -delta_h 3.85 kcal + -analytic -56.889 0.006473 2307.9 19.8858 + -Vm 8.2 9.259 2.1108 -3.1618 1.1748 0 -0.3 15 0 1 + -viscosity 3.29e-2 -4.86e-2 0.409 1e-5 4.23e-2 1.069 0.7371 + -dw 0.731e-9 1e3 7.082 3 0.86 H2Sg = HSg- + H+ - log_k -6.994 - delta_h 5.30 kcal - -analytical 11.17 -0.02386 -3279.0 - -Vm 5.0119 4.9799 3.4765 -2.9849 1.4410 # supcrt - -dw 1.73e-9 -2H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T - -analytical 10.227 -0.01384 -2200 - -Vm 36.41 -71.95 0 0 2.58 - -dw 2.1e-9 + log_k -6.994 + delta_h 5.3 kcal + -analytical 11.17 -0.02386 -3279 + -Vm 5.0119 4.9799 3.4765 -2.9849 1.441 # supcrt + -dw 1.73e-9 +2 H2Sg = (H2Sg)2 # activity correction for H2S solubility at high P, T + -analytical 10.227 -0.01384 -2200 + -Vm 36.41 -71.95 0 0 2.58 + -dw 2.1e-9 B(OH)3 + H2O = B(OH)4- + H+ - log_k -9.239 - delta_h 0 kcal -3B(OH)3 = B3O3(OH)4- + 2H2O + H+ - log_k -7.528 - delta_h 0 kcal -4B(OH)3 = B4O5(OH)4-2 + 3H2O + 2H+ - log_k -16.134 - delta_h 0 kcal + log_k -9.239 + delta_h 0 kcal +3 B(OH)3 = B3O3(OH)4- + 2 H2O + H+ + log_k -7.528 + delta_h 0 kcal +4 B(OH)3 = B4O5(OH)4-2 + 3 H2O + 2 H+ + log_k -16.134 + delta_h 0 kcal Ca+2 + B(OH)3 + H2O = CaB(OH)4+ + H+ - log_k -7.589 - delta_h 0 kcal + log_k -7.589 + delta_h 0 kcal Mg+2 + B(OH)3 + H2O = MgB(OH)4+ + H+ - log_k -7.840 - delta_h 0 kcal + log_k -7.84 + delta_h 0 kcal # Ca+2 + CO3-2 = CaCO3 # log_k 3.151 # delta_h 3.547 kcal @@ -180,650 +184,650 @@ Mg+2 + B(OH)3 + H2O = MgB(OH)4+ + H+ # -dw 4.46e-10 # complexes: calc'd with the Pikal formula # -Vm -.2430 -8.3748 9.0417 -2.4328 -.0300 # supcrt Mg+2 + H2O = MgOH+ + H+ - log_k -11.809 + log_k -11.809 delta_h 15.419 kcal Mg+2 + CO3-2 = MgCO3 - log_k 2.928 - delta_h 2.535 kcal - -analytic -32.225 0.0 1093.486 12.72433 - -dw 4.21e-10 - -Vm -.5837 -9.2067 9.3687 -2.3984 -.0300 # supcrt + log_k 2.928 + delta_h 2.535 kcal + -analytic -32.225 0 1093.486 12.72433 + -dw 4.21e-10 + -Vm -.5837 -9.2067 9.3687 -2.3984 -.03 # supcrt H4SiO4 = H3SiO4- + H+ - -log_k -9.83; -delta_h 6.12 kcal - -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669.0 - -Vm 7.94 1.0881 5.3224 -2.8240 1.4767 # supcrt + H2O in a1 + -log_k -9.83; -delta_h 6.12 kcal + -analytic -302.3724 -0.050698 15669.69 108.18466 -1119669 + -Vm 7.94 1.0881 5.3224 -2.824 1.4767 # supcrt H2O in a1 H4SiO4 = H2SiO4-2 + 2 H+ - -log_k -23.0; -delta_h 17.6 kcal - -analytic -294.0184 -0.072650 11204.49 108.18466 -1119669.0 + -log_k -23; -delta_h 17.6 kcal + -analytic -294.0184 -0.07265 11204.49 108.18466 -1119669 PHASES Akermanite - Ca2MgSi2O7 + 6 H+ = Mg+2 + 2 Ca+2 + 2 H4SiO4 - H2O # llnl.dat - log_k 45.23 - -delta_H -289 kJ/mol + Ca2MgSi2O7 + 6 H+ = Mg+2 + 2 Ca+2 + 2 H4SiO4 - H2O # llnl.dat + log_k 45.23 + -delta_H -289 kJ/mol Vm 92.6 Anhydrite CaSO4 = Ca+2 + SO4-2 - log_k -4.362 - -analytical_expression 5.009 -2.21e-2 -796.4 # ref. 3 - -Vm 46.1 # 136.14 / 2.95 + log_k -4.362 + -analytical_expression 5.009 -2.21e-2 -796.4 # ref. 3 + -Vm 46.1 # 136.14 / 2.95 Anthophyllite - Mg7Si8O22(OH)2 + 14 H+ = 7 Mg+2 - 8 H2O + 8 H4SiO4 # llnl.dat - log_k 66.80 - -delta_H -483 kJ/mol + Mg7Si8O22(OH)2 + 14 H+ = 7 Mg+2 - 8 H2O + 8 H4SiO4 # llnl.dat + log_k 66.8 + -delta_H -483 kJ/mol Vm 269 Antigorite - Mg48Si34O85(OH)62 + 96 H+ = 34 H4SiO4 + 48 Mg+2 + 11 H2O # llnl.dat - log_k 477.19 - -delta_H -3364 kJ/mol + Mg48Si34O85(OH)62 + 96 H+ = 34 H4SiO4 + 48 Mg+2 + 11 H2O # llnl.dat + log_k 477.19 + -delta_H -3364 kJ/mol Vm 1745 Aragonite CaCO3 = CO3-2 + Ca+2 - log_k -8.336 + log_k -8.336 delta_h -2.589 kcal - -analytic -171.8607 -.077993 2903.293 71.595 - -Vm 34.04 + -analytic -171.8607 -.077993 2903.293 71.595 + -Vm 34.04 Arcanite - K2SO4 = SO4-2 + 2 K+ - log_k -1.776; -delta_h 5 kcal - -analytical_expression 674.142 0.30423 -18037 -280.236 0 -1.44055e-4 # ref. 3 + K2SO4 = SO4-2 + 2 K+ + log_k -1.776; -delta_h 5 kcal + -analytical_expression 674.142 0.30423 -18037 -280.236 0 -1.44055e-4 # ref. 3 # Note, the Linke and Seidell data may give subsaturation in other xpt's, SI = -0.06 - -Vm 65.5 + -Vm 65.5 Artinite - Mg2CO3(OH)2:3H2O + 3 H+ = HCO3- + 2 Mg+2 + 5 H2O # llnl.dat - log_k 19.66 - -delta_H -130 kJ/mol + Mg2CO3(OH)2:3H2O + 3 H+ = HCO3- + 2 Mg+2 + 5 H2O # llnl.dat + log_k 19.66 + -delta_H -130 kJ/mol Vm 97.4 Barite BaSO4 = Ba+2 + SO4-2 - log_k -9.97; delta_h 6.35 kcal - -analytical_expression -282.43 -8.972e-2 5822 113.08 # ref. 3 - -Vm 52.9 + log_k -9.97; delta_h 6.35 kcal + -analytical_expression -282.43 -8.972e-2 5822 113.08 # ref. 3 + -Vm 52.9 Bischofite - MgCl2:6H2O = Mg+2 + 2 Cl- + 6 H2O - log_k 4.455 - -analytical_expression 7.526 -1.114e-2 115.7 # ref. 3 + MgCl2:6H2O = Mg+2 + 2 Cl- + 6 H2O + log_k 4.455 + -analytical_expression 7.526 -1.114e-2 115.7 # ref. 3 Vm 127.1 Bloedite - Na2Mg(SO4)2:4H2O = Mg++ + 2 Na+ + 2 SO4-- + 4 H2O - log_k -2.347 - -delta_H 0 # Not possible to calculate enthalpy of reaction Bloedite + Na2Mg(SO4)2:4H2O = Mg+2 + 2 Na+ + 2 SO4-2 + 4 H2O + log_k -2.347 + -delta_H 0 # Not possible to calculate enthalpy of reaction Bloedite Vm 147 Brucite - Mg(OH)2 = Mg++ + 2 OH- - log_k -10.88 - -delta_H 4.85 kcal/mol + Mg(OH)2 = Mg+2 + 2 OH- + log_k -10.88 + -delta_H 4.85 kcal/mol Vm 24.6 Burkeite - Na6CO3(SO4)2 = CO3-2 + 2 SO4-- + 6 Na+ - log_k -0.772 + Na6CO3(SO4)2 = CO3-2 + 2 SO4-2 + 6 Na+ + log_k -0.772 Vm 152 Calcite CaCO3 = CO3-2 + Ca+2 - log_k -8.406 + log_k -8.406 delta_h -2.297 kcal - -analytic 8.481 -0.032644 -2133 # ref. 3 with data from Ellis, 1959, Plummer and Busenberg, 1982 - -Vm 36.9 + -analytic 8.481 -0.032644 -2133 # ref. 3 with data from Ellis, 1959, Plummer and Busenberg, 1982 + -Vm 36.9 Carnallite - KMgCl3:6H2O = K+ + Mg+2 + 3Cl- + 6H2O - log_k 4.35; -delta_h 1.17 - -analytical_expression 24.06 -3.11e-2 -3.09e3 # ref. 3 + KMgCl3:6H2O = K+ + Mg+2 + 3 Cl- + 6 H2O + log_k 4.35; -delta_h 1.17 + -analytical_expression 24.06 -3.11e-2 -3.09e3 # ref. 3 Vm 173.7 Celestite SrSO4 = Sr+2 + SO4-2 - log_k -6.630 - -analytic -7.14 6.11E-03 75 0 0 -1.79E-05 # ref. 3 - -Vm 46.4 + log_k -6.63 + -analytic -7.14 6.11E-3 75 0 0 -1.79E-5 # ref. 3 + -Vm 46.4 Chalcedony SiO2 + 2 H2O = H4SiO4 - -log_k -3.55; -delta_h 4.720 kcal - -Vm 23.1 + -log_k -3.55; -delta_h 4.72 kcal + -Vm 23.1 Chrysotile Mg3Si2O5(OH)4 + 6 H+ = H2O + 2 H4SiO4 + 3 Mg+2 # phreeqc.dat - -log_k 32.2 - -delta_h -46.800 kcal - -analytic 13.248 0.0 10217.1 -6.1894 - -Vm 110 + -log_k 32.2 + -delta_h -46.8 kcal + -analytic 13.248 0 10217.1 -6.1894 + -Vm 110 Diopside - CaMgSi2O6 + 4 H+ = Ca+2 + Mg+2 - 2 H2O + 2 H4SiO4 # llnl.dat - log_k 20.96 - -delta_H -134 kJ/mol + CaMgSi2O6 + 4 H+ = Ca+2 + Mg+2 - 2 H2O + 2 H4SiO4 # llnl.dat + log_k 20.96 + -delta_H -134 kJ/mol Vm 67.2 Dolomite CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 - log_k -17.09 + log_k -17.09 delta_h -9.436 kcal - -analytic -120.63 -0.1051 0 54.509 # 50–175°C, Bénézeth et al., 2018, GCA 224, 262-275. - -Vm 64.5 + -analytic -120.63 -0.1051 0 54.509 # 50–175°C, Bénézeth et al., 2018, GCA 224, 262-275 + -Vm 64.5 Enstatite - MgSiO3 + 2 H+ = - H2O + Mg+2 + H4SiO4 # llnl.dat - log_k 11.33 - -delta_H -83 kJ/mol + MgSiO3 + 2 H+ = - H2O + Mg+2 + H4SiO4 # llnl.dat + log_k 11.33 + -delta_H -83 kJ/mol Vm 31.3 Epsomite - MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O - log_k -1.881 - -analytical_expression 4.479 -6.99e-3 -1.265e3 # ref. 3 + MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O + log_k -1.881 + -analytical_expression 4.479 -6.99e-3 -1.265e3 # ref. 3 Vm 147 Forsterite - Mg2SiO4 + 4 H+ = H4SiO4 + 2 Mg+2 # llnl.dat - log_k 27.86 - -delta_H -206 kJ/mol + Mg2SiO4 + 4 H+ = H4SiO4 + 2 Mg+2 # llnl.dat + log_k 27.86 + -delta_H -206 kJ/mol Vm 43.7 Gaylussite CaNa2(CO3)2:5H2O = Ca+2 + 2 CO3-2 + 2 Na+ + 5 H2O - log_k -9.421 + log_k -9.421 Glaserite - NaK3(SO4)2 = Na+ + 3K+ + 2SO4-2 - log_k -3.803; -delta_h 25 - -Vm 123 + NaK3(SO4)2 = Na+ + 3 K+ + 2 SO4-2 + log_k -3.803; -delta_h 25 + -Vm 123 Glauberite - Na2Ca(SO4)2 = Ca+2 + 2 Na+ + 2 SO4-2 - log_k -5.31 - -analytical_expression 218.142 0 -9285 -77.735 # ref. 3 + Na2Ca(SO4)2 = Ca+2 + 2 Na+ + 2 SO4-2 + log_k -5.31 + -analytical_expression 218.142 0 -9285 -77.735 # ref. 3 Vm 100.4 Goergeyite - K2Ca5(SO4)6H2O = 2K+ + 5Ca+2 + 6SO4-2 + H2O + K2Ca5(SO4)6H2O = 2 K+ + 5 Ca+2 + 6 SO4-2 + H2O log_k -29.5 - -analytical_expression 1056.787 0 -52300 -368.06 # ref. 3 - -Vm 295.9 + -analytical_expression 1056.787 0 -52300 -368.06 # ref. 3 + -Vm 295.9 Gypsum CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O - -log_k -4.58; -delta_h -0.109 kcal - -analytical_expression 82.381 0 -3804.5 -29.9952 # ref. 3 - -Vm 73.9 + -log_k -4.58; -delta_h -0.109 kcal + -analytical_expression 82.381 0 -3804.5 -29.9952 # ref. 3 + -Vm 73.9 Halite - NaCl = Cl- + Na+ - log_k 1.570 - -analytical_expression 159.605 8.4294e-2 -3975.6 -66.857 0 -4.9364e-5 # ref. 3 - -Vm 27.1 + NaCl = Cl- + Na+ + log_k 1.57 + -analytical_expression 159.605 8.4294e-2 -3975.6 -66.857 0 -4.9364e-5 # ref. 3 + -Vm 27.1 Hexahydrite - MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O - log_k -1.635 - -analytical_expression -0.733 -2.80e-3 -8.57e-3 # ref. 3 + MgSO4:6H2O = Mg+2 + SO4-2 + 6 H2O + log_k -1.635 + -analytical_expression -0.733 -2.8e-3 -8.57e-3 # ref. 3 Vm 132 Huntite - CaMg3(CO3)4 + 4 H+ = Ca+2 + 3 Mg+2 + 4 HCO3- # llnl.dat - log_k 10.30 - -analytical_expression -1.145e3 -3.249e-1 3.941e4 4.526e2 + CaMg3(CO3)4 + 4 H+ = Ca+2 + 3 Mg+2 + 4 HCO3- # llnl.dat + log_k 10.3 + -analytical_expression -1.145e3 -3.249e-1 3.941e4 4.526e2 Vm 130.8 Kainite - KMgClSO4:3H2O = Cl- + K+ + Mg+2 + SO4-2 + 3 H2O - log_k -0.193 + KMgClSO4:3H2O = Cl- + K+ + Mg+2 + SO4-2 + 3 H2O + log_k -0.193 Kalicinite - KHCO3 = K+ + H+ + CO3-2 - log_k -9.94 # Harvie et al., 1984 + KHCO3 = K+ + H+ + CO3-2 + log_k -9.94 # Harvie et al., 1984 Kieserite - MgSO4:H2O = Mg+2 + SO4-2 + H2O - log_k -0.123 - -analytical_expression 47.24 -0.12077 -5.356e3 0 0 7.272e-5 # ref. 3 + MgSO4:H2O = Mg+2 + SO4-2 + H2O + log_k -0.123 + -analytical_expression 47.24 -0.12077 -5.356e3 0 0 7.272e-5 # ref. 3 Vm 53.8 Labile_S - Na4Ca(SO4)3:2H2O = 4Na+ + Ca+2 + 3SO4-2 + 2H2O - log_k -5.672 + Na4Ca(SO4)3:2H2O = 4 Na+ + Ca+2 + 3 SO4-2 + 2 H2O + log_k -5.672 Leonhardite - MgSO4:4H2O = Mg+2 + SO4-2 + 4H2O - log_k -0.887 + MgSO4:4H2O = Mg+2 + SO4-2 + 4 H2O + log_k -0.887 Leonite - K2Mg(SO4)2:4H2O = Mg+2 + 2 K+ + 2 SO4-2 + 4 H2O - log_k -3.979 + K2Mg(SO4)2:4H2O = Mg+2 + 2 K+ + 2 SO4-2 + 4 H2O + log_k -3.979 Magnesite - MgCO3 = CO3-2 + Mg+2 - log_k -7.834 - delta_h -6.169 + MgCO3 = CO3-2 + Mg+2 + log_k -7.834 + delta_h -6.169 Vm 28.3 MgCl2_2H2O - MgCl2:2H2O = Mg+2 + 2 Cl- + 2 H2O - -analytical_expression -10.273 0 7.403e3 # ref. 3 + MgCl2:2H2O = Mg+2 + 2 Cl- + 2 H2O + -analytical_expression -10.273 0 7.403e3 # ref. 3 MgCl2_4H2O - MgCl2:4H2O = Mg+2 + 2 Cl- + 4 H2O - -analytical_expression 12.98 -2.013e-2 # ref. 3 + MgCl2:4H2O = Mg+2 + 2 Cl- + 4 H2O + -analytical_expression 12.98 -2.013e-2 # ref. 3 Mirabilite - Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O - -analytical_expression -301.9326 -0.16232 0 141.078 # ref. 3 + Na2SO4:10H2O = SO4-2 + 2 Na+ + 10 H2O + -analytical_expression -301.9326 -0.16232 0 141.078 # ref. 3 Vm 216 Misenite - K8H6(SO4)7 = 6 H+ + 7 SO4-2 + 8 K+ - log_k -10.806 + K8H6(SO4)7 = 6 H+ + 7 SO4-2 + 8 K+ + log_k -10.806 Nahcolite - NaHCO3 = CO3-2 + H+ + Na+ - log_k -10.742 - Vm 38.0 + NaHCO3 = CO3-2 + H+ + Na+ + log_k -10.742 + Vm 38 Natron Na2CO3:10H2O = CO3-2 + 2 Na+ + 10 H2O - log_k -0.825 + log_k -0.825 Nesquehonite - MgCO3:3H2O = CO3-2 + Mg+2 + 3 H2O - log_k -5.167 + MgCO3:3H2O = CO3-2 + Mg+2 + 3 H2O + log_k -5.167 Pentahydrite - MgSO4:5H2O = Mg+2 + SO4-2 + 5 H2O - log_k -1.285 + MgSO4:5H2O = Mg+2 + SO4-2 + 5 H2O + log_k -1.285 Pirssonite - Na2Ca(CO3)2:2H2O = 2Na+ + Ca+2 + 2CO3-2 + 2 H2O - log_k -9.234 + Na2Ca(CO3)2:2H2O = 2 Na+ + Ca+2 + 2 CO3-2 + 2 H2O + log_k -9.234 Polyhalite - K2MgCa2(SO4)4:2H2O = 2K+ + Mg+2 + 2 Ca+2 + 4SO4-2 + 2 H2O - log_k -13.744 + K2MgCa2(SO4)4:2H2O = 2 K+ + Mg+2 + 2 Ca+2 + 4 SO4-2 + 2 H2O + log_k -13.744 Vm 218 Portlandite - Ca(OH)2 = Ca+2 + 2 OH- - log_k -5.190 + Ca(OH)2 = Ca+2 + 2 OH- + log_k -5.19 Quartz SiO2 + 2 H2O = H4SiO4 - -log_k -3.98; -delta_h 5.990 kcal - -Vm 22.67 + -log_k -3.98; -delta_h 5.99 kcal + -Vm 22.67 Schoenite - K2Mg(SO4)2:6H2O = 2K+ + Mg+2 + 2 SO4-2 + 6H2O - log_k -4.328 + K2Mg(SO4)2:6H2O = 2 K+ + Mg+2 + 2 SO4-2 + 6 H2O + log_k -4.328 Sepiolite(d) - Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 # phreeqc.dat - -log_k 18.66 - -Vm 162 + Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 # phreeqc.dat + -log_k 18.66 + -Vm 162 Sepiolite - Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5H2O = 2 Mg+2 + 3 H4SiO4 # phreeqc.dat - -log_k 15.760 - -delta_h -10.700 kcal - -Vm 154 + Mg2Si3O7.5OH:3H2O + 4 H+ + 0.5 H2O = 2 Mg+2 + 3 H4SiO4 # phreeqc.dat + -log_k 15.76 + -delta_h -10.7 kcal + -Vm 154 SiO2(a) SiO2 + 2 H2O = H4SiO4 - -log_k -2.71; -delta_h 3.340 kcal - -analytic 20.42 3.107e-3 -1492 -7.68 # ref. 3 - -Vm 25.7 + -log_k -2.71; -delta_h 3.34 kcal + -analytic 20.42 3.107e-3 -1492 -7.68 # ref. 3 + -Vm 25.7 Sylvite - KCl = K+ + Cl- - log_k 0.90; -delta_h 8 - -analytical_expression -50.571 9.8815e-2 1.3135e4 0 -1.3754e6 -7.393e-5 # ref. 3 + KCl = K+ + Cl- + log_k 0.9; -delta_h 8 + -analytical_expression -50.571 9.8815e-2 1.3135e4 0 -1.3754e6 -7.393e-5 # ref. 3 Vm 37.5 Syngenite - K2Ca(SO4)2:H2O = 2K+ + Ca+2 + 2SO4-2 + H2O - log_k -6.43; -delta_h -32.65 # ref. 3 - -Vm 127.3 + K2Ca(SO4)2:H2O = 2 K+ + Ca+2 + 2 SO4-2 + H2O + log_k -6.43; -delta_h -32.65 # ref. 3 + -Vm 127.3 Talc Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4 # phreeqc.dat - -log_k 21.399 + -log_k 21.399 -delta_h -46.352 kcal - -Vm 140 + -Vm 140 Thenardite Na2SO4 = 2 Na+ + SO4-2 - -analytical_expression 57.185 8.6024e-2 0 -30.8341 0 -7.6905e-5 # ref. 3 - -Vm 52.9 + -analytical_expression 57.185 8.6024e-2 0 -30.8341 0 -7.6905e-5 # ref. 3 + -Vm 52.9 Trona - Na3H(CO3)2:2H2O = 3 Na+ + H+ + 2CO3-2 + 2H2O - log_k -11.384 + Na3H(CO3)2:2H2O = 3 Na+ + H+ + 2 CO3-2 + 2 H2O + log_k -11.384 Vm 106 Borax - Na2(B4O5(OH)4):8H2O + 2 H+ = 4 B(OH)3 + 2 Na+ + 5 H2O - log_k 12.464 + Na2(B4O5(OH)4):8H2O + 2 H+ = 4 B(OH)3 + 2 Na+ + 5 H2O + log_k 12.464 Vm 223 Boric_acid,s - B(OH)3 = B(OH)3 - log_k -0.030 + B(OH)3 = B(OH)3 + log_k -0.03 KB5O8:4H2O - KB5O8:4H2O + 3H2O + H+ = 5B(OH)3 + K+ - log_k 4.671 + KB5O8:4H2O + 3 H2O + H+ = 5 B(OH)3 + K+ + log_k 4.671 K2B4O7:4H2O - K2B4O7:4H2O + H2O + 2H+ = 4B(OH)3 + 2K+ - log_k 13.906 + K2B4O7:4H2O + H2O + 2 H+ = 4 B(OH)3 + 2 K+ + log_k 13.906 NaBO2:4H2O - NaBO2:4H2O + H+ = B(OH)3 + Na+ + 3H2O - log_k 9.568 + NaBO2:4H2O + H+ = B(OH)3 + Na+ + 3 H2O + log_k 9.568 NaB5O8:5H2O - NaB5O8:5H2O + 2H2O + H+ = 5B(OH)3 + Na+ - log_k 5.895 + NaB5O8:5H2O + 2 H2O + H+ = 5 B(OH)3 + Na+ + log_k 5.895 Teepleite - Na2B(OH)4Cl + H+ = B(OH)3 + 2Na+ + Cl- + H2O - log_k 10.840 + Na2B(OH)4Cl + H+ = B(OH)3 + 2 Na+ + Cl- + H2O + log_k 10.84 CO2(g) CO2 = CO2 - log_k -1.468 + log_k -1.468 delta_h -4.776 kcal - -analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5 - -T_c 304.2 # critical T, K - -P_c 72.80 # critical P, atm + -analytic 10.5624 -2.3547e-2 -3972.8 0 5.8746e5 1.9194e-5 + -T_c 304.2 # critical T, K + -P_c 72.8 # critical P, atm -Omega 0.225 # acentric factor H2O(g) H2O = H2O - log_k 1.506; delta_h -44.03 kJ - -T_c 647.3 # critical T, K - -P_c 217.60 # critical P, atm - -Omega 0.344 # acentric factor - -analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6 + log_k 1.506; delta_h -44.03 kJ + -T_c 647.3 # critical T, K + -P_c 217.6 # critical P, atm + -Omega 0.344 # acentric factor + -analytic -16.5066 -2.0013E-3 2710.7 3.7646 0 2.24E-6 # redox-uncoupled gases Oxg(g) Oxg = Oxg - -analytic -7.5001 7.8981e-003 0.0 0.0 2.0027e+005 - T_c 154.6 ; -P_c 49.80 ; -Omega 0.021 + -analytic -7.5001 7.8981e-3 0 0 2.0027e+5 + T_c 154.6; -P_c 49.8; -Omega 0.021 Hdg(g) Hdg = Hdg - -analytic -9.3114e+000 4.6473e-003 -4.9335e+001 1.4341e+000 1.2815e+005 - -T_c 33.2 ; -P_c 12.80 ; -Omega -0.225 + -analytic -9.3114e+0 4.6473e-3 -4.9335e+1 1.4341e+0 1.2815e+5 + -T_c 33.2; -P_c 12.8; -Omega -0.225 Ntg(g) Ntg = Ntg - -analytic -58.453 1.81800E-03 3199 17.909 -27460 - T_c 126.2 ; -P_c 33.50 ; -Omega 0.039 + -analytic -58.453 1.818E-3 3199 17.909 -27460 + T_c 126.2; -P_c 33.5; -Omega 0.039 Mtg(g) Mtg = Mtg - -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C - T_c 190.6 ; -P_c 45.40 ; -Omega 0.008 + -analytic 10.44 -7.65e-3 -6669 0 1.014e6 # CH4 solubilities 25 - 100°C + T_c 190.6; -P_c 45.4; -Omega 0.008 H2Sg(g) - H2Sg = H+ + HSg- - -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 - T_c 373.2 ; -P_c 88.20 ; -Omega 0.1 + H2Sg = H+ + HSg- + -analytic -45.07 -0.02418 0 17.9205 # H2S solubilities, 0 - 300°C, 1 - 987 atm, Jiang et al., 2020, CG 555, 119816 + T_c 373.2; -P_c 88.2; -Omega 0.1 PITZER -B0 - B(OH)4- K+ 0.035 - B(OH)4- Na+ -0.0427 - B3O3(OH)4- K+ -0.13 - B3O3(OH)4- Na+ -0.056 - B4O5(OH)4-2 K+ -0.022 - B4O5(OH)4-2 Na+ -0.11 - Ba+2 Br- 0.31455 0 0 -0.33825E-3 - Ba+2 Cl- 0.5268 0 0 0 0 4.75e4 # ref. 3 - Ba+2 OH- 0.17175 - Br- H+ 0.1960 0 0 -2.049E-4 - Br- K+ 0.0569 0 0 7.39E-4 - Br- Li+ 0.1748 0 0 -1.819E-4 - Br- Mg+2 0.4327 0 0 -5.625E-5 - Br- Na+ 0.0973 0 0 7.692E-4 - Br- Sr+2 0.331125 0 0 -0.32775E-3 - Ca+2 Br- 0.3816 0 0 -5.2275E-4 - Ca+2 Cl- 0.3159 0 0 -3.27e-4 1.4e-7 # ref. 3 - Ca+2 HCO3- 0.4 - Ca+2 HSO4- 0.2145 - Ca+2 OH- -0.1747 - Ca+2 SO4-2 0 # ref. 3 - CaB(OH)4+ Cl- 0.12 - Cl- Fe+2 0.335925 - Cl- H+ 0.1775 0 0 -3.081E-4 - Cl- K+ 0.04808 -758.48 -4.7062 0.010072 -3.7599e-6 # ref. 3 - Cl- Li+ 0.1494 0 0 -1.685E-4 - Cl- Mg+2 0.351 0 0 -9.32e-4 5.94e-7 # ref. 3 - Cl- MgB(OH)4+ 0.16 - Cl- MgOH+ -0.1 - Cl- Mn+2 0.327225 - Cl- Na+ 7.534e-2 9598.4 35.48 -5.8731e-2 1.798e-5 -5e5 # ref. 3 - Cl- Sr+2 0.2858 0 0 0.717E-3 - CO3-2 K+ 0.1488 0 0 1.788E-3 - CO3-2 Na+ 0.0399 0 0 1.79E-3 - Fe+2 HSO4- 0.4273 - Fe+2 SO4-2 0.2568 - H+ HSO4- 0.2065 - H+ SO4-2 0.0298 - HCO3- K+ 0.0296 0 0 0.996E-3 - HCO3- Mg+2 0.329 - HCO3- Na+ -0.018 # ref. 3 + new -analytic for calcite - HCO3- Sr+2 0.12 - HSO4- K+ -0.0003 - HSO4- Mg+2 0.4746 - HSO4- Na+ 0.0454 - K+ OH- 0.1298 - K+ SO4-2 3.17e-2 0 0 9.28e-4 # ref. 3 - Li+ OH- 0.015 - Li+ SO4-2 0.136275 0 0 0.5055E-3 - Mg+2 SO4-2 0.2135 -951 0 -2.34e-2 2.28e-5 # ref. 3 - Mn+2 SO4-2 0.2065 - Na+ OH- 0.0864 0 0 7.00E-4 - Na+ SO4-2 2.73e-2 0 -5.8 9.89e-3 0 -1.563e5 # ref. 3 - SO4-2 Sr+2 0.200 0 0 -2.9E-3 + B(OH)4- K+ 0.035 + B(OH)4- Na+ -0.0427 + B3O3(OH)4- K+ -0.13 + B3O3(OH)4- Na+ -0.056 + B4O5(OH)4-2 K+ -0.022 + B4O5(OH)4-2 Na+ -0.11 + Ba+2 Br- 0.31455 0 0 -0.33825E-3 + Ba+2 Cl- 0.5268 0 0 0 0 4.75e4 # ref. 3 + Ba+2 OH- 0.17175 + Br- H+ 0.196 0 0 -2.049E-4 + Br- K+ 0.0569 0 0 7.39E-4 + Br- Li+ 0.1748 0 0 -1.819E-4 + Br- Mg+2 0.4327 0 0 -5.625E-5 + Br- Na+ 0.0973 0 0 7.692E-4 + Br- Sr+2 0.331125 0 0 -0.32775E-3 + Ca+2 Br- 0.3816 0 0 -5.2275E-4 + Ca+2 Cl- 0.3159 0 0 -3.27e-4 1.4e-7 # ref. 3 + Ca+2 HCO3- 0.4 + Ca+2 HSO4- 0.2145 + Ca+2 OH- -0.1747 + Ca+2 SO4-2 0 # ref. 3 + CaB(OH)4+ Cl- 0.12 + Cl- Fe+2 0.335925 + Cl- H+ 0.1775 0 0 -3.081E-4 + Cl- K+ 0.04808 -758.48 -4.7062 0.010072 -3.7599e-6 # ref. 3 + Cl- Li+ 0.1494 0 0 -1.685E-4 + Cl- Mg+2 0.351 0 0 -9.32e-4 5.94e-7 # ref. 3 + Cl- MgB(OH)4+ 0.16 + Cl- MgOH+ -0.1 + Cl- Mn+2 0.327225 + Cl- Na+ 7.534e-2 9598.4 35.48 -5.8731e-2 1.798e-5 -5e5 # ref. 3 + Cl- Sr+2 0.2858 0 0 0.717E-3 + CO3-2 K+ 0.1488 0 0 1.788E-3 + CO3-2 Na+ 0.0399 0 0 1.79E-3 + Fe+2 HSO4- 0.4273 + Fe+2 SO4-2 0.2568 + H+ HSO4- 0.2065 + H+ SO4-2 0.0298 + HCO3- K+ 0.0296 0 0 0.996E-3 + HCO3- Mg+2 0.329 + HCO3- Na+ -0.018 # ref. 3 new -analytic for calcite + HCO3- Sr+2 0.12 + HSO4- K+ -0.0003 + HSO4- Mg+2 0.4746 + HSO4- Na+ 0.0454 + K+ OH- 0.1298 + K+ SO4-2 3.17e-2 0 0 9.28e-4 # ref. 3 + Li+ OH- 0.015 + Li+ SO4-2 0.136275 0 0 0.5055E-3 + Mg+2 SO4-2 0.2135 -951 0 -2.34e-2 2.28e-5 # ref. 3 + Mn+2 SO4-2 0.2065 + Na+ OH- 0.0864 0 0 7E-4 + Na+ SO4-2 2.73e-2 0 -5.8 9.89e-3 0 -1.563e5 # ref. 3 + SO4-2 Sr+2 0.2 0 0 -2.9E-3 -B1 - B(OH)4- K+ 0.14 - B(OH)4- Na+ 0.089 - B3O3(OH)4- Na+ -0.910 - B4O5(OH)4-2 Na+ -0.40 - Ba+2 Br- 1.56975 0 0 6.78E-3 - Ba+2 Cl- 0.687 0 0 1.417e-2 # ref. 3 - Ba+2 OH- 1.2 - Br- H+ 0.3564 0 0 4.467E-4 - Br- K+ 0.2212 0 0 17.40E-4 - Br- Li+ 0.2547 0 0 6.636E-4 - Br- Mg+2 1.753 0 0 3.8625E-3 - Br- Na+ 0.2791 0 0 10.79E-4 - Br- Sr+2 1.7115 0 0 6.5325E-3 - Ca+2 Br- 1.613 0 0 6.0375E-3 - Ca+2 Cl- 1.614 0 0 7.63e-3 -8.19e-7 # ref. 3 - Ca+2 HCO3- 2.977 # ref. 3 + new -analytic for calcite - Ca+2 HSO4- 2.53 - Ca+2 OH- -0.2303 - Ca+2 SO4-2 3.546 0 0 5.77e-3 # ref. 3 - Cl- Fe+2 1.53225 - Cl- H+ 0.2945 0 0 1.419E-4 - Cl- K+ 0.2168 0 -6.895 2.262e-2 -9.293e-6 -1e5 # ref. 3 - Cl- Li+ 0.3074 0 0 5.366E-4 - Cl- Mg+2 1.65 0 0 -1.09e-2 2.60e-5 # ref. 3 - Cl- MgOH+ 1.658 - Cl- Mn+2 1.55025 - Cl- Na+ 0.2769 1.377e4 46.8 -6.9512e-2 2e-5 -7.4823e5 # ref. 3 - Cl- Sr+2 1.667 0 0 2.8425E-3 - CO3-2 K+ 1.43 0 0 2.051E-3 - CO3-2 Na+ 1.389 0 0 2.05E-3 - Fe+2 HSO4- 3.48 - Fe+2 SO4-2 3.063 - H+ HSO4- 0.5556 - HCO3- K+ 0.25 0 0 1.104E-3 # ref. 3 - HCO3- Mg+2 0.6072 - HCO3- Na+ 0 # ref. 3 + new -analytic for calcite - HSO4- K+ 0.1735 - HSO4- Mg+2 1.729 - HSO4- Na+ 0.398 - K+ OH- 0.32 - K+ SO4-2 0.756 -1.514e4 -80.3 0.1091 # ref. 3 - Li+ OH- 0.14 - Li+ SO4-2 1.2705 0 0 1.41E-3 - Mg+2 SO4-2 3.367 -5.78e3 0 -1.48e-1 1.576e-4 # ref. 3 - Mn+2 SO4-2 2.9511 - Na+ OH- 0.253 0 0 1.34E-4 - Na+ SO4-2 0.956 2.663e3 0 1.158e-2 0 -3.194e5 # ref. 3 - SO4-2 Sr+2 3.1973 0 0 27e-3 + B(OH)4- K+ 0.14 + B(OH)4- Na+ 0.089 + B3O3(OH)4- Na+ -0.91 + B4O5(OH)4-2 Na+ -0.4 + Ba+2 Br- 1.56975 0 0 6.78E-3 + Ba+2 Cl- 0.687 0 0 1.417e-2 # ref. 3 + Ba+2 OH- 1.2 + Br- H+ 0.3564 0 0 4.467E-4 + Br- K+ 0.2212 0 0 17.4E-4 + Br- Li+ 0.2547 0 0 6.636E-4 + Br- Mg+2 1.753 0 0 3.8625E-3 + Br- Na+ 0.2791 0 0 10.79E-4 + Br- Sr+2 1.7115 0 0 6.5325E-3 + Ca+2 Br- 1.613 0 0 6.0375E-3 + Ca+2 Cl- 1.614 0 0 7.63e-3 -8.19e-7 # ref. 3 + Ca+2 HCO3- 2.977 # ref. 3 new -analytic for calcite + Ca+2 HSO4- 2.53 + Ca+2 OH- -0.2303 + Ca+2 SO4-2 3.546 0 0 5.77e-3 # ref. 3 + Cl- Fe+2 1.53225 + Cl- H+ 0.2945 0 0 1.419E-4 + Cl- K+ 0.2168 0 -6.895 2.262e-2 -9.293e-6 -1e5 # ref. 3 + Cl- Li+ 0.3074 0 0 5.366E-4 + Cl- Mg+2 1.65 0 0 -1.09e-2 2.6e-5 # ref. 3 + Cl- MgOH+ 1.658 + Cl- Mn+2 1.55025 + Cl- Na+ 0.2769 1.377e4 46.8 -6.9512e-2 2e-5 -7.4823e5 # ref. 3 + Cl- Sr+2 1.667 0 0 2.8425E-3 + CO3-2 K+ 1.43 0 0 2.051E-3 + CO3-2 Na+ 1.389 0 0 2.05E-3 + Fe+2 HSO4- 3.48 + Fe+2 SO4-2 3.063 + H+ HSO4- 0.5556 + HCO3- K+ 0.25 0 0 1.104E-3 # ref. 3 + HCO3- Mg+2 0.6072 + HCO3- Na+ 0 # ref. 3 new -analytic for calcite + HSO4- K+ 0.1735 + HSO4- Mg+2 1.729 + HSO4- Na+ 0.398 + K+ OH- 0.32 + K+ SO4-2 0.756 -1.514e4 -80.3 0.1091 # ref. 3 + Li+ OH- 0.14 + Li+ SO4-2 1.2705 0 0 1.41E-3 + Mg+2 SO4-2 3.367 -5.78e3 0 -1.48e-1 1.576e-4 # ref. 3 + Mn+2 SO4-2 2.9511 + Na+ OH- 0.253 0 0 1.34E-4 + Na+ SO4-2 0.956 2.663e3 0 1.158e-2 0 -3.194e5 # ref. 3 + SO4-2 Sr+2 3.1973 0 0 27e-3 -B2 - Ca+2 Cl- -1.13 0 0 -0.0476 # ref. 3 - Ca+2 OH- -5.72 - Ca+2 SO4-2 -59.3 0 0 -0.443 -3.96e-6 # ref. 3 - Fe+2 SO4-2 -42.0 - HCO3- Na+ 8.22 0 0 -0.049 # ref. 3 + new -analytic for calcite - Mg+2 SO4-2 -32.45 0 -3.236e3 21.812 -1.8859e-2 # ref. 3 - Mn+2 SO4-2 -40.0 - SO4-2 Sr+2 -54.24 0 0 -0.42 + Ca+2 Cl- -1.13 0 0 -0.0476 # ref. 3 + Ca+2 OH- -5.72 + Ca+2 SO4-2 -59.3 0 0 -0.443 -3.96e-6 # ref. 3 + Fe+2 SO4-2 -42 + HCO3- Na+ 8.22 0 0 -0.049 # ref. 3 new -analytic for calcite + Mg+2 SO4-2 -32.45 0 -3.236e3 21.812 -1.8859e-2 # ref. 3 + Mn+2 SO4-2 -40 + SO4-2 Sr+2 -54.24 0 0 -0.42 -C0 - B(OH)4- Na+ 0.0114 - Ba+2 Br- -0.0159576 - Ba+2 Cl- -0.143 -114.5 # ref. 3 - Br- Ca+2 -0.00257 - Br- H+ 0.00827 0 0 -5.685E-5 - Br- K+ -0.00180 0 0 -7.004E-5 - Br- Li+ 0.0053 0 0 -2.813E-5 - Br- Mg+2 0.00312 - Br- Na+ 0.00116 0 0 -9.30E-5 - Br- Sr+2 0.00122506 - Ca+2 Cl- 1.4e-4 -57 -0.098 -7.83e-4 7.18e-7 # ref. 3 - Ca+2 SO4-2 0.114 # ref. 3 - Cl- Fe+2 -0.00860725 - Cl- H+ 0.0008 0 0 6.213E-5 - Cl- K+ -7.88e-4 91.27 0.58643 -1.298e-3 4.9567e-7 # ref. 3 - Cl- Li+ 0.00359 0 0 -4.520E-5 - Cl- Mg+2 0.00651 0 0 -2.50e-4 2.418e-7 # ref. 3 - Cl- Mn+2 -0.0204972 - Cl- Na+ 1.48e-3 -120.5 -0.2081 0 1.166e-7 11121 # ref. 3 - Cl- Sr+2 -0.00130 - CO3-2 K+ -0.0015 - CO3-2 Na+ 0.0044 - Fe+2 SO4-2 0.0209 - H+ SO4-2 0.0438 - HCO3- K+ -0.008 - K+ OH- 0.0041 - K+ SO4-2 8.18e-3 -625 -3.30 4.06e-3 # ref. 3 - Li+ SO4-2 -0.00399338 0 0 -2.33345e-4 - Mg+2 SO4-2 2.875e-2 0 -2.084 1.1428e-2 -8.228e-6 # ref. 3 - Mn+2 SO4-2 0.01636 - Na+ OH- 0.0044 0 0 -18.94E-5 - Na+ SO4-2 3.418e-3 -384 0 -8.451e-4 0 5.177e4 # ref. 3 + B(OH)4- Na+ 0.0114 + Ba+2 Br- -0.0159576 + Ba+2 Cl- -0.143 -114.5 # ref. 3 + Br- Ca+2 -0.00257 + Br- H+ 0.00827 0 0 -5.685E-5 + Br- K+ -0.0018 0 0 -7.004E-5 + Br- Li+ 0.0053 0 0 -2.813E-5 + Br- Mg+2 0.00312 + Br- Na+ 0.00116 0 0 -9.3E-5 + Br- Sr+2 0.00122506 + Ca+2 Cl- 1.4e-4 -57 -0.098 -7.83e-4 7.18e-7 # ref. 3 + Ca+2 SO4-2 0.114 # ref. 3 + Cl- Fe+2 -0.00860725 + Cl- H+ 0.0008 0 0 6.213E-5 + Cl- K+ -7.88e-4 91.27 0.58643 -1.298e-3 4.9567e-7 # ref. 3 + Cl- Li+ 0.00359 0 0 -4.52E-5 + Cl- Mg+2 0.00651 0 0 -2.5e-4 2.418e-7 # ref. 3 + Cl- Mn+2 -0.0204972 + Cl- Na+ 1.48e-3 -120.5 -0.2081 0 1.166e-7 11121 # ref. 3 + Cl- Sr+2 -0.0013 + CO3-2 K+ -0.0015 + CO3-2 Na+ 0.0044 + Fe+2 SO4-2 0.0209 + H+ SO4-2 0.0438 + HCO3- K+ -0.008 + K+ OH- 0.0041 + K+ SO4-2 8.18e-3 -625 -3.3 4.06e-3 # ref. 3 + Li+ SO4-2 -0.00399338 0 0 -2.33345e-4 + Mg+2 SO4-2 2.875e-2 0 -2.084 1.1428e-2 -8.228e-6 # ref. 3 + Mn+2 SO4-2 0.01636 + Na+ OH- 0.0044 0 0 -18.94E-5 + Na+ SO4-2 3.418e-3 -384 0 -8.451e-4 0 5.177e4 # ref. 3 -THETA - B(OH)4- Cl- -0.065 - B(OH)4- SO4-2 -0.012 - B3O3(OH)4- Cl- 0.12 - B3O3(OH)4- HCO3- -0.10 - B3O3(OH)4- SO4-2 0.10 - B4O5(OH)4-2 Cl- 0.074 - B4O5(OH)4-2 HCO3- -0.087 - B4O5(OH)4-2 SO4-2 0.12 - Ba+2 Na+ 0.07 # ref. 3 - Br- OH- -0.065 - Ca+2 H+ 0.092 - Ca+2 K+ -5.35e-3 0 0 3.08e-4 # ref. 3 - Ca+2 Mg+2 0.007 - Ca+2 Na+ 9.22e-2 0 0 -4.29e-4 1.21e-6 # ref. 3 - Cl- CO3-2 -0.02 - Cl- HCO3- 0.03 - Cl- HSO4- -0.006 - Cl- OH- -0.05 - Cl- SO4-2 0.03 # ref. 3 - CO3-2 OH- 0.1 - CO3-2 SO4-2 0.02 - H+ K+ 0.005 - H+ Mg+2 0.1 - H+ Na+ 0.036 - HCO3- CO3-2 -0.04 - HCO3- SO4-2 0.01 - K+ Na+ -0.012 - Mg+2 Na+ 0.07 - Na+ Sr+2 0.051 - OH- SO4-2 -0.013 + B(OH)4- Cl- -0.065 + B(OH)4- SO4-2 -0.012 + B3O3(OH)4- Cl- 0.12 + B3O3(OH)4- HCO3- -0.1 + B3O3(OH)4- SO4-2 0.1 + B4O5(OH)4-2 Cl- 0.074 + B4O5(OH)4-2 HCO3- -0.087 + B4O5(OH)4-2 SO4-2 0.12 + Ba+2 Na+ 0.07 # ref. 3 + Br- OH- -0.065 + Ca+2 H+ 0.092 + Ca+2 K+ -5.35e-3 0 0 3.08e-4 # ref. 3 + Ca+2 Mg+2 0.007 + Ca+2 Na+ 9.22e-2 0 0 -4.29e-4 1.21e-6 # ref. 3 + Cl- CO3-2 -0.02 + Cl- HCO3- 0.03 + Cl- HSO4- -0.006 + Cl- OH- -0.05 + Cl- SO4-2 0.03 # ref. 3 + CO3-2 OH- 0.1 + CO3-2 SO4-2 0.02 + H+ K+ 0.005 + H+ Mg+2 0.1 + H+ Na+ 0.036 + HCO3- CO3-2 -0.04 + HCO3- SO4-2 0.01 + K+ Na+ -0.012 + Mg+2 Na+ 0.07 + Na+ Sr+2 0.051 + OH- SO4-2 -0.013 -LAMDA - B(OH)3 Cl- 0.091 - B(OH)3 K+ -0.14 - B(OH)3 Na+ -0.097 - B(OH)3 SO4-2 0.018 - B3O3(OH)4- B(OH)3 -0.20 - Ca+2 CO2 0.183 - Ca+2 H4SiO4 0.238 # ref. 3 - Cl- CO2 -0.005 - Cl- H2Sg -0.005 - Cl- (H2Sg)2 -0.005 - CO2 CO2 -1.34e-2 348 0.803 # new VM("CO2"), CO2 solubilities at high P, 0 - 150°C - CO2 HSO4- -0.003 - CO2 K+ 0.051 - CO2 Mg+2 0.183 - CO2 Na+ 0.085 - CO2 SO4-2 0.075 # Rumpf and Maurer, 1993. - H2Sg Na+ 0.1047 0 -0.0413 # Xia et al., 2000, Ind. Eng. Chem. Res. 39, 1064 - H2Sg SO4-2 0 0 0.679 - (H2Sg)2 Na+ 0.0123 0 0.256 - H4SiO4 K+ 0.0298 # ref. 3 - H4SiO4 Li+ 0.143 # ref. 3 - H4SiO4 Mg+2 0.238 -1788 -9.023 0.0103 # ref. 3 - H4SiO4 Na+ 0.0566 75.3 0.115 # ref. 3 - H4SiO4 SO4-2 -0.085 0 0.28 -8.25e-4 # ref. 3 + B(OH)3 Cl- 0.091 + B(OH)3 K+ -0.14 + B(OH)3 Na+ -0.097 + B(OH)3 SO4-2 0.018 + B3O3(OH)4- B(OH)3 -0.2 + Ca+2 CO2 0.183 + Ca+2 H4SiO4 0.238 # ref. 3 + Cl- CO2 -0.005 + Cl- H2Sg -0.005 + Cl- (H2Sg)2 -0.005 + CO2 CO2 -1.34e-2 348 0.803 # new VM("CO2"), CO2 solubilities at high P, 0 - 150°C + CO2 HSO4- -0.003 + CO2 K+ 0.051 + CO2 Mg+2 0.183 + CO2 Na+ 0.085 + CO2 SO4-2 0.075 # Rumpf and Maurer, 1993 + H2Sg Na+ 0.1047 0 -0.0413 # Xia et al., 2000, Ind. Eng. Chem. Res. 39, 1064 + H2Sg SO4-2 0 0 0.679 + (H2Sg)2 Na+ 0.0123 0 0.256 + H4SiO4 K+ 0.0298 # ref. 3 + H4SiO4 Li+ 0.143 # ref. 3 + H4SiO4 Mg+2 0.238 -1788 -9.023 0.0103 # ref. 3 + H4SiO4 Na+ 0.0566 75.3 0.115 # ref. 3 + H4SiO4 SO4-2 -0.085 0 0.28 -8.25e-4 # ref. 3 -ZETA - B(OH)3 Cl- H+ -0.0102 - B(OH)3 Na+ SO4-2 0.046 - Cl- H4SiO4 K+ -0.0153 # ref. 3 - Cl- H4SiO4 Li+ -0.0196 # ref. 3 - CO2 Na+ SO4-2 -0.015 - H2Sg Cl- Na+ -0.0123 # Xia et al., 2000, Ind. Eng. Chem. Res. 39, 1064 - H2Sg Na+ SO4-2 0.157 - (H2Sg)2 Cl- Na+ 0.0119 - (H2Sg)2 Na+ SO4-2 -0.167 + B(OH)3 Cl- H+ -0.0102 + B(OH)3 Na+ SO4-2 0.046 + Cl- H4SiO4 K+ -0.0153 # ref. 3 + Cl- H4SiO4 Li+ -0.0196 # ref. 3 + CO2 Na+ SO4-2 -0.015 + H2Sg Cl- Na+ -0.0123 # Xia et al., 2000, Ind. Eng. Chem. Res. 39, 1064 + H2Sg Na+ SO4-2 0.157 + (H2Sg)2 Cl- Na+ 0.0119 + (H2Sg)2 Na+ SO4-2 -0.167 -PSI - B(OH)4- Cl- Na+ -0.0073 - B3O3(OH)4- Cl- Na+ -0.024 - B4O5(OH)4-2 Cl- Na+ 0.026 - Br- K+ Na+ -0.0022 - Br- K+ OH- -0.014 - Br- Na+ H+ -0.012 - Br- Na+ OH- -0.018 - Ca+2 Cl- H+ -0.015 - Ca+2 Cl- K+ -0.025 - Ca+2 Cl- Mg+2 -0.012 - Ca+2 Cl- Na+ -1.48e-2 0 0 -5.2e-6 # ref. 3 - Ca+2 Cl- OH- -0.025 - Ca+2 Cl- SO4-2 -0.122 0 0 -1.21e-3 # ref. 3 - Ca+2 K+ SO4-2 -0.0365 # ref. 3 - Ca+2 Mg+2 SO4-2 0.024 - Ca+2 Na+ SO4-2 -0.055 17.2 # ref. 3 - Cl- Br- K+ 0 - Cl- CO3-2 K+ 0.004 - Cl- CO3-2 Na+ 0.0085 - Cl- H+ K+ -0.011 - Cl- H+ Mg+2 -0.011 - Cl- H+ Na+ -0.004 - Cl- HCO3- Mg+2 -0.096 - Cl- HCO3- Na+ 0 # ref. 3 + new -analytic for calcite - Cl- HSO4- H+ 0.013 - Cl- HSO4- Na+ -0.006 - Cl- K+ Mg+2 -0.022 -14.27 # ref. 3 - Cl- K+ Na+ -0.0015 0 0 1.8e-5 # ref. 3 - Cl- K+ OH- -0.006 - Cl- K+ SO4-2 -1e-3 # ref. 3 - Cl- Mg+2 MgOH+ 0.028 - Cl- Mg+2 Na+ -0.012 -9.51 # ref. 3 - Cl- Mg+2 SO4-2 -0.008 32.63 # ref. 3 - Cl- Na+ OH- -0.006 - Cl- Na+ SO4-2 0 # ref. 3 - Cl- Na+ Sr+2 -0.0021 - CO3-2 HCO3- K+ 0.012 - CO3-2 HCO3- Na+ 0.002 - CO3-2 K+ Na+ 0.003 - CO3-2 K+ OH- -0.01 - CO3-2 K+ SO4-2 -0.009 - CO3-2 Na+ OH- -0.017 - CO3-2 Na+ SO4-2 -0.005 - H+ HSO4- K+ -0.0265 - H+ HSO4- Mg+2 -0.0178 - H+ HSO4- Na+ -0.0129 - H+ K+ Br- -0.021 - H+ K+ SO4-2 0.197 - HCO3- K+ Na+ -0.003 - HCO3- Mg+2 SO4-2 -0.161 - HCO3- Na+ SO4-2 -0.005 - HSO4- K+ SO4-2 -0.0677 - HSO4- Mg+2 SO4-2 -0.0425 - HSO4- Na+ SO4-2 -0.0094 - K+ Mg+2 SO4-2 -0.048 - K+ Na+ SO4-2 -0.010 - K+ OH- SO4-2 -0.050 - Mg+2 Na+ SO4-2 -0.015 - Na+ OH- SO4-2 -0.009 + B(OH)4- Cl- Na+ -0.0073 + B3O3(OH)4- Cl- Na+ -0.024 + B4O5(OH)4-2 Cl- Na+ 0.026 + Br- K+ Na+ -0.0022 + Br- K+ OH- -0.014 + Br- Na+ H+ -0.012 + Br- Na+ OH- -0.018 + Ca+2 Cl- H+ -0.015 + Ca+2 Cl- K+ -0.025 + Ca+2 Cl- Mg+2 -0.012 + Ca+2 Cl- Na+ -1.48e-2 0 0 -5.2e-6 # ref. 3 + Ca+2 Cl- OH- -0.025 + Ca+2 Cl- SO4-2 -0.122 0 0 -1.21e-3 # ref. 3 + Ca+2 K+ SO4-2 -0.0365 # ref. 3 + Ca+2 Mg+2 SO4-2 0.024 + Ca+2 Na+ SO4-2 -0.055 17.2 # ref. 3 + Cl- Br- K+ 0 + Cl- CO3-2 K+ 0.004 + Cl- CO3-2 Na+ 0.0085 + Cl- H+ K+ -0.011 + Cl- H+ Mg+2 -0.011 + Cl- H+ Na+ -0.004 + Cl- HCO3- Mg+2 -0.096 + Cl- HCO3- Na+ 0 # ref. 3 new -analytic for calcite + Cl- HSO4- H+ 0.013 + Cl- HSO4- Na+ -0.006 + Cl- K+ Mg+2 -0.022 -14.27 # ref. 3 + Cl- K+ Na+ -0.0015 0 0 1.8e-5 # ref. 3 + Cl- K+ OH- -0.006 + Cl- K+ SO4-2 -1e-3 # ref. 3 + Cl- Mg+2 MgOH+ 0.028 + Cl- Mg+2 Na+ -0.012 -9.51 # ref. 3 + Cl- Mg+2 SO4-2 -0.008 32.63 # ref. 3 + Cl- Na+ OH- -0.006 + Cl- Na+ SO4-2 0 # ref. 3 + Cl- Na+ Sr+2 -0.0021 + CO3-2 HCO3- K+ 0.012 + CO3-2 HCO3- Na+ 0.002 + CO3-2 K+ Na+ 0.003 + CO3-2 K+ OH- -0.01 + CO3-2 K+ SO4-2 -0.009 + CO3-2 Na+ OH- -0.017 + CO3-2 Na+ SO4-2 -0.005 + H+ HSO4- K+ -0.0265 + H+ HSO4- Mg+2 -0.0178 + H+ HSO4- Na+ -0.0129 + H+ K+ Br- -0.021 + H+ K+ SO4-2 0.197 + HCO3- K+ Na+ -0.003 + HCO3- Mg+2 SO4-2 -0.161 + HCO3- Na+ SO4-2 -0.005 + HSO4- K+ SO4-2 -0.0677 + HSO4- Mg+2 SO4-2 -0.0425 + HSO4- Na+ SO4-2 -0.0094 + K+ Mg+2 SO4-2 -0.048 + K+ Na+ SO4-2 -0.01 + K+ OH- SO4-2 -0.05 + Mg+2 Na+ SO4-2 -0.015 + Na+ OH- SO4-2 -0.009 EXCHANGE_MASTER_SPECIES - X X- + X X- EXCHANGE_SPECIES X- = X- - log_k 0.0 + log_k 0 Na+ + X- = NaX - log_k 0.0 + log_k 0 K+ + X- = KX - log_k 0.7 - delta_h -4.3 # Jardine & Sparks, 1984 + log_k 0.7 + delta_h -4.3 # Jardine & Sparks, 1984 Li+ + X- = LiX - log_k -0.08 - delta_h 1.4 # Merriam & Thomas, 1956 + log_k -0.08 + delta_h 1.4 # Merriam & Thomas, 1956 - Ca+2 + 2X- = CaX2 - log_k 0.8 - delta_h 7.2 # Van Bladel & Gheyl, 1980 + Ca+2 + 2 X- = CaX2 + log_k 0.8 + delta_h 7.2 # Van Bladel & Gheyl, 1980 - Mg+2 + 2X- = MgX2 - log_k 0.6 - delta_h 7.4 # Laudelout et al., 1968 + Mg+2 + 2 X- = MgX2 + log_k 0.6 + delta_h 7.4 # Laudelout et al., 1968 - Sr+2 + 2X- = SrX2 - log_k 0.91 - delta_h 5.5 # Laudelout et al., 1968 + Sr+2 + 2 X- = SrX2 + log_k 0.91 + delta_h 5.5 # Laudelout et al., 1968 - Ba+2 + 2X- = BaX2 - log_k 0.91 - delta_h 4.5 # Laudelout et al., 1968 + Ba+2 + 2 X- = BaX2 + log_k 0.91 + delta_h 4.5 # Laudelout et al., 1968 - Mn+2 + 2X- = MnX2 - log_k 0.52 + Mn+2 + 2 X- = MnX2 + log_k 0.52 - Fe+2 + 2X- = FeX2 - log_k 0.44 + Fe+2 + 2 X- = FeX2 + log_k 0.44 SURFACE_MASTER_SPECIES - Hfo_s Hfo_sOH - Hfo_w Hfo_wOH + Hfo_s Hfo_sOH + Hfo_w Hfo_wOH SURFACE_SPECIES # All surface data from # Dzombak and Morel, 1990 @@ -834,24 +838,24 @@ SURFACE_SPECIES # strong binding site--Hfo_s, Hfo_sOH = Hfo_sOH - log_k 0.0 + log_k 0 - Hfo_sOH + H+ = Hfo_sOH2+ - log_k 7.29 # = pKa1,int + Hfo_sOH + H+ = Hfo_sOH2+ + log_k 7.29 # = pKa1,int Hfo_sOH = Hfo_sO- + H+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int # weak binding site--Hfo_w Hfo_wOH = Hfo_wOH - log_k 0.0 + log_k 0 - Hfo_wOH + H+ = Hfo_wOH2+ - log_k 7.29 # = pKa1,int + Hfo_wOH + H+ = Hfo_wOH2+ + log_k 7.29 # = pKa1,int Hfo_wOH = Hfo_wO- + H+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int ############################################### # CATIONS # @@ -861,25 +865,25 @@ SURFACE_SPECIES # # Calcium Hfo_sOH + Ca+2 = Hfo_sOHCa+2 - log_k 4.97 + log_k 4.97 Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ log_k -5.85 # Strontium Hfo_sOH + Sr+2 = Hfo_sOHSr+2 - log_k 5.01 + log_k 5.01 Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+ log_k -6.58 - Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+ - log_k -17.60 + Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+ + log_k -17.6 # Barium Hfo_sOH + Ba+2 = Hfo_sOHBa+2 - log_k 5.46 + log_k 5.46 Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+ - log_k -7.2 # table 10.5 + log_k -7.2 # table 10.5 # # Derived constants table 10.5 # @@ -888,10 +892,10 @@ SURFACE_SPECIES log_k -4.6 # Manganese Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+ - log_k -0.4 # table 10.5 + log_k -0.4 # table 10.5 Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+ - log_k -3.5 # table 10.5 + log_k -3.5 # table 10.5 # Iron # Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ # log_k 0.7 # LFER using table 10.5 @@ -901,12 +905,12 @@ SURFACE_SPECIES # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm. Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ - log_k -0.95 + log_k -0.95 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+ log_k -2.98 - Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+ + Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2 H+ log_k -11.55 ############################################### @@ -920,31 +924,31 @@ SURFACE_SPECIES # # Borate Hfo_wOH + B(OH)3 = Hfo_wH2BO3 + H2O - log_k 0.62 + log_k 0.62 # # Anions from table 10.8 # # Sulfate Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O - log_k 7.78 + log_k 7.78 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 - log_k 0.79 + log_k 0.79 # # Carbonate: Van Geen et al., 1994 reoptimized for HFO # 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L # Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O - log_k 12.56 + log_k 12.56 - Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O - log_k 20.62 + Hfo_wOH + CO3-2 + 2 H+ = Hfo_wHCO3 + H2O + log_k 20.62 # # Silicate: Swedlund, P.J. and Webster, J.G., 1999. Water Research 33, 3413-3422. # - Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O ; log_K 4.28 - Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O ; log_K -3.22 - Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2H+ + H2O ; log_K -11.69 + Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O; log_K 4.28 + Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O; log_K -3.22 + Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2 H+ + H2O; log_K -11.69 MEAN_GAMMAS CaCl2 Ca+2 1 Cl- 2 diff --git a/database/sit.dat b/database/sit.dat index 2e019ce21..a14fc99d9 100644 --- a/database/sit.dat +++ b/database/sit.dat @@ -7,10 +7,12 @@ SOLUTION_SPECIES # Database date: 22/08/2023 0:00:00 # Generated by XCheck Tool v5.2.0 # Comment: tidied with lsp.exe from https://phreeplot.org/lsp/lsp.html - +# Redox states modified by David Parkhurst May 18, 2024 +# GFW of S(6) and Si modified by David Parkhurst May 18, 2024 SOLUTION_MASTER_SPECIES #element species alk gfw_formula element_gfw -E e- 0 0 0 +E e- 1 0 0 +# DLP: Set Alkalinity to 1 to account for non-master species with e- in equations Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.0436 Adipate Adipate-2 1 Adipate 144.0700 Acetate Acetate- 1 Acetate 59.0100 @@ -29,13 +31,17 @@ B B(OH)4- 1 B 10.8110 Ba Ba+2 0 Ba 137.3270 Be Be+2 0 Be 9.0122 Br Br- 0 Br 79.9040 -C CO3-2 2 C 12.0110 +C CO3-2 2 C 12.0110 +C(2) CO 0 C # DLP C(+4) CO3-2 2 C 12.0110 C(-4) CH4 0 C 12.0110 Ca Ca+2 0 Ca 40.0780 Cd Cd+2 -1 Cd 112.4110 Cit Cit-3 1 Cit 189.1013 -Cl Cl- 0 Cl 35.4527 +Cl Cl- 0 Cl 35.4527 +Cl(-1) Cl- 0 Cl # DLP +Cl(0) Cl2 0 Cl # DLP +Cl(7) ClO4- 0 Cl # DLP Cm Cm+3 0 Cm 247.0000 Co Co+2 0 Co 58.9332 Cr CrO4-2 1 Cr 51.9961 @@ -64,15 +70,24 @@ Hg(+2) Hg+2 -2 Hg 200.5900 Hg(+1) Hg2+2 0 Hg 200.5900 Ho Ho+3 0 Ho 164.9303 I I- 0 I 126.9045 -I(-1) I- 0 I 126.9045 -I(+5) IO3- 0 I 126.9045 +I(-1) I- 0 I 126.9045 +I(1) IO- 0 I # DLP +I(+5) IO3- 0 I 126.9045 +I(7) IO4- 0 I # DLP Isa HIsa- 0 Isa 178.1421 K K+ 0 K 39.0983 Li Li+ 0 Li 6.9410 Malonate Malonate-2 1 Malonate 102.0464 Mg Mg+2 0 Mg 24.3050 -Mn Mn+2 0 Mn 54.9380 -Mo MoO4-2 0 Mo 95.9400 +Mn Mn+2 0 Mn 54.9380 +Mn(+2) Mn+2 0 Mn # DLP +Mn(+3) Mn+3 0 Mn # DLP +Mn(+5) MnO4-3 0 Mn # DLP +Mn(+6) MnO4-2 0 Mn # DLP +Mn(+7) MnO4- 0 Mn # DLP +Mo MoO4-2 0 Mo 95.9400 +Mo(6) MoO4-2 0 Mo # DLP +Mo(3) Mo+3 0 Mo # DLP N NO3- 0 N 14.0067 N(+5) NO3- 0 N 14.0067 N(-3) NH3 1 N 14.0067 @@ -105,11 +120,12 @@ Pyrophos Pyrophos-4 2 Pyrophos 173.9500 Ra Ra+2 0 Ra 226.0250 Rb Rb+ 0 Rb 85.4678 S SO4-2 0 S 32.0660 -S(+6) SO4-2 0 S 32.0660 +S(+6) SO4-2 0 SO4 32.0660 # DLP S(-2) HS- 1 S 32.0660 S(+2) S2O3-2 0 S 32.0660 S(+3) S2O4-2 0 S 32.0660 -S(+4) SO3-2 1 S 32.0660 +S(+4) SO3-2 1 S 32.0660 +S(8) HSO5- 0 S # DLP Sb Sb(OH)3 0 Sb 121.7600 Sb(+3) Sb(OH)3 0 Sb 121.7600 Sb(+5) Sb(OH)5 -6 Sb 121.7600 @@ -117,7 +133,7 @@ Se SeO4-2 0 Se 78.9600 Se(+6) SeO4-2 0 Se 78.9600 Se(-2) HSe- -1 Se 78.9600 Se(+4) SeO3-2 1 Se 78.9600 -Si H4(SiO4) 0 Si 28.0855 +Si H4(SiO4) 0 SiO2 28.0855 # DLP Sm Sm+3 0 Sm 150.3600 Sn Sn+2 -2 Sn 118.7100 Sn(+2) Sn+2 -2 Sn 118.7100 @@ -1782,6 +1798,7 @@ Am+3 + 3 CO3-2 = Am(CO3)3-3 -analytic 14.6E+0 00E+0 00E+0 00E+0 00E+0 Am+3 - e- + 5 CO3-2 = Am(CO3)5-6 +# This reaction should be written with Am+4 log_k -5.1 #03GUI/FAN -analytic -51E-1 00E+0 00E+0 00E+0 00E+0 @@ -4525,15 +4542,17 @@ H+ + S2O4-2 = HS2O4- -analytic 13.29025E+0 00E+0 -21.9141E+3 00E+0 00E+0 - 2 e- + 3 I- = I3- +# DLP: This species will be in the I(-1) mole balance log_k -18.17 delta_h 118.877 #kJ/mol # Enthalpy of formation: -51.463 kJ/mol 92JOH/OEL -analytic 26.56356E-1 00E+0 -62.09378E+2 00E+0 00E+0 - + - 2 e- + 2 Cl- + I- = ICl2- +# DLP: This species will be in the I(-1) and Cl(-1) mole balances log_k -26.8 #96FAL/REA -analytic -26.8E+0 00E+0 00E+0 00E+0 00E+0 - + - 2 H+ - 2 e- + I- + H2O = IO- log_k -44 #96FAL/REA -analytic -44E+0 00E+0 00E+0 00E+0 00E+0 @@ -6618,36 +6637,42 @@ I- + Rb+ = RbI -analytic -42.62245E-1 00E+0 -38.27577E+2 00E+0 00E+0 - 2 H+ - 2 e- + 2 HS- = S2-2 +# DLP: This species will be in the S(-2) mole balance log_k -10.54 delta_h 67.64 #kJ/mol # Enthalpy of formation: +35.040 kJ/mol 04CHI -analytic 13.10019E-1 00E+0 -35.33083E+2 00E+0 00E+0 2 H+ + 2 SO3-2 - H2O = S2O5-2 +# DLP: This species will be in the S(4) mole balance log_k 12.85 #85GOL/PAR delta_h 2.606 #kJ/mol # Enthalpy of formation: -973.684 kJ/mol -analytic 13.30655E+0 00E+0 -13.61209E+1 00E+0 00E+0 - 2 e- + 2 SO4-2 = S2O8-2 +# DLP: This species will be in the S(6) mole balance log_k -65.38 delta_h 473.98 #kJ/mol # Enthalpy of formation: -1344.700 kJ/mol 82WAG/EVA -analytic 17.65773E+0 00E+0 -24.7577E+3 00E+0 00E+0 - 3 H+ - 4 e- + 3 HS- = S3-2 +# DLP: This species will be in the S(-2) mole balance log_k -6.51 delta_h 74.84 #kJ/mol # Enthalpy of formation: +25.940 kJ/mol 74NAU/RYZ -analytic 66.01405E-1 00E+0 -39.09165E+2 00E+0 00E+0 6 H+ + 2 e- + 3 SO3-2 - 3 H2O = S3O6-2 +# DLP: This species will be in the S(4) mole balance log_k 36.82 delta_h -131.646 #kJ/mol # Enthalpy of formation: -1167.336 kJ/mol 04CHI -analytic 13.75661E+0 00E+0 68.76349E+2 00E+0 00E+0 - 4 H+ - 6 e- + 4 HS- = S4-2 +# DLP: This species will be in the S(-2) mole balance log_k -3.58 delta_h 88.21 #kJ/mol # Enthalpy of formation: +23.010 kJ/mol 74NAU/RYZ @@ -6660,12 +6685,14 @@ I- + Rb+ = RbI -analytic 18.09898E+0 00E+0 21.67581E+3 00E+0 00E+0 - 5 H+ - 8 e- + 5 HS- = S5-2 +# DLP: This species will be in the S(-2) mole balance log_k -0.87 delta_h 102.84 #kJ/mol # Enthalpy of formation: +21.340 kJ/mol 74NAU/RYZ -analytic 17.14679E+0 00E+0 -53.71707E+2 00E+0 00E+0 18 H+ + 10 e- + 5 SO3-2 - 9 H2O = S5O6-2 +# DLP: This species will be in the S(4) mole balance log_k 115.39 delta_h -592.874 #kJ/mol # Enthalpy of formation: -1175.704 kJ/mol 04CHI @@ -6748,14 +6775,17 @@ H+ + Sb(OH)5 - H2O = Sb(OH)4+ -analytic -14.91E+0 00E+0 00E+0 00E+0 00E+0 - 2 H+ - 2 e- + 2 HSe- = Se2-2 +# DLP: This species will be in the Se(-2) mole balance log_k -4.5 #05OLI/NOL -analytic -45E-1 00E+0 00E+0 00E+0 00E+0 - 3 H+ - 4 e- + 3 HSe- = Se3-2 +# DLP: This species will be in the Se(-2) mole balance log_k 5.24 #05OLI/NOL -analytic 52.4E-1 00E+0 00E+0 00E+0 00E+0 - 4 H+ - 6 e- + 4 HSe- = Se4-2 +# DLP: This species will be in the Se(-2) mole balance log_k 13.38 #05OLI/NOL -analytic 13.38E+0 00E+0 00E+0 00E+0 00E+0 @@ -7956,6 +7986,7 @@ UO2+2 + H+ + SeO3-2 = UO2HSeO3+ -analytic 11.63E+0 00E+0 00E+0 00E+0 00E+0 UO2+2 - 6 H+ - 6 e- + I- + 3 H2O = UO2IO3+ +# DLP: This species will be in the U(6) and I(-1) mole balance log_k -109.56 #92GRE/FUG delta_h 704.37 #kJ/mol 92GRE/FUG # Enthalpy of formation: -1228.900 kJ/mol diff --git a/database/wateq4f.dat b/database/wateq4f.dat index 8461c4bbc..3e69cd869 100644 --- a/database/wateq4f.dat +++ b/database/wateq4f.dat @@ -1,1397 +1,1401 @@ -# $Id$ +# File 1 = C:\GitPrograms\phreeqc3-1\database\wateq4f.dat, 15/03/2024 15:31, 4032 lines, 106804 bytes, md5=b01313c8049bbc106fe5ce9b15afa3e2 +# Created 17 May 2024 14:30:45 +# c:\3rdParty\lsp\lsp.exe -f2 -k="asis" -ts "wateq4f.dat" + +# $Id$ # Revised arsenic data from Archer and Nordstrom (2002) SOLUTION_MASTER_SPECIES -Ag Ag+ 0.0 107.868 107.868 -Al Al+3 0.0 26.9815 26.9815 -Alkalinity CO3-2 1.0 50.05 50.05 -As H3AsO4 -1.0 74.9216 74.9216 -As(+3) H3AsO3 0.0 74.9216 74.9216 -As(+5) H3AsO4 -1.0 74.9216 -B H3BO3 0.0 10.81 10.81 -Ba Ba+2 0.0 137.34 137.34 -Br Br- 0.0 79.904 79.904 -C CO3-2 2.0 61.0173 12.0111 -C(+4) CO3-2 2.0 61.0173 -C(-4) CH4 0.0 16.042 -Ca Ca+2 0.0 40.08 40.08 -Cd Cd+2 0.0 112.4 112.4 -Cl Cl- 0.0 35.453 35.453 -Cs Cs+ 0.0 132.905 132.905 -Cu Cu+2 0.0 63.546 63.546 -Cu(+1) Cu+1 0.0 63.546 -Cu(+2) Cu+2 0.0 63.546 -E e- 0.0 0.0 0.0 -F F- 0.0 18.9984 18.9984 -Fe Fe+2 0.0 55.847 55.847 -Fe(+2) Fe+2 0.0 55.847 -Fe(+3) Fe+3 -2.0 55.847 -Fulvate Fulvate-2 0.0 650. 650. -H H+ -1. 1.008 1.008 -H(0) H2 0.0 1.008 -H(1) H+ -1. 1.008 -Humate Humate-2 0.0 2000. 2000. -I I- 0.0 126.9044 126.9044 -K K+ 0.0 39.102 39.102 -Li Li+ 0.0 6.939 6.939 -Mg Mg+2 0.0 24.312 24.312 -Mn Mn+2 0.0 54.938 54.938 -Mn(2) Mn+2 0.0 54.938 -Mn(3) Mn+3 0.0 54.938 -Mn(6) MnO4-2 0.0 54.938 -Mn(7) MnO4- 0.0 54.938 -N NO3- 0.0 14.0067 14.0067 -N(-3) NH4+ 0.0 14.0067 -N(0) N2 0.0 14.0067 -N(+3) NO2- 0.0 14.0067 -N(+5) NO3- 0.0 14.0067 -Na Na+ 0.0 22.9898 22.9898 -Ni Ni+2 0.0 58.71 58.71 -O H2O 0.0 16.00 16.00 -O(-2) H2O 0.0 18.016 -O(0) O2 0.0 16.00 -P PO4-3 2.0 30.9738 30.9738 -Pb Pb+2 0.0 207.19 207.19 -Rb Rb+ 0.0 85.47 85.47 -S SO4-2 0.0 96.0616 32.064 -S(-2) H2S 0.0 32.064 -S(6) SO4-2 0.0 96.0616 -Se SeO4-2 0.0 78.96 78.96 -Se(-2) HSe- 0.0 78.96 -Se(4) SeO3-2 0.0 78.96 -Se(6) SeO4-2 0.0 78.96 -Si H4SiO4 0.0 60.0843 28.0843 -Sr Sr+2 0.0 87.62 87.62 -Zn Zn+2 0.0 65.37 65.37 -U UO2+2 0.0 238.0290 238.0290 -U(3) U+3 0.0 238.0290 238.0290 -U(4) U+4 0.0 238.0290 238.0290 -U(5) UO2+ 0.0 238.0290 238.0290 -U(6) UO2+2 0.0 238.0290 238.0290 +Ag Ag+ 0 107.868 107.868 +Al Al+3 0 26.9815 26.9815 +Alkalinity CO3-2 1 50.05 50.05 +As H3AsO4 -1 74.9216 74.9216 +As(+3) H3AsO3 0 74.9216 74.9216 +As(+5) H3AsO4 -1 74.9216 +B H3BO3 0 10.81 10.81 +Ba Ba+2 0 137.34 137.34 +Br Br- 0 79.904 79.904 +C CO3-2 2 61.0173 12.0111 +C(+4) CO3-2 2 61.0173 +C(-4) CH4 0 16.042 +Ca Ca+2 0 40.08 40.08 +Cd Cd+2 0 112.4 112.4 +Cl Cl- 0 35.453 35.453 +Cs Cs+ 0 132.905 132.905 +Cu Cu+2 0 63.546 63.546 +Cu(+1) Cu+1 0 63.546 +Cu(+2) Cu+2 0 63.546 +E e- 1 0 0 +F F- 0 18.9984 18.9984 +Fe Fe+2 0 55.847 55.847 +Fe(+2) Fe+2 0 55.847 +Fe(+3) Fe+3 -2 55.847 +Fulvate Fulvate-2 0 650 650 +H H+ -1 1.008 1.008 +H(0) H2 0 1.008 +H(1) H+ -1 1.008 +Humate Humate-2 0 2000 2000 +I I- 0 126.9044 126.9044 +K K+ 0 39.102 39.102 +Li Li+ 0 6.939 6.939 +Mg Mg+2 0 24.312 24.312 +Mn Mn+2 0 54.938 54.938 +Mn(2) Mn+2 0 54.938 +Mn(3) Mn+3 0 54.938 +Mn(6) MnO4-2 0 54.938 +Mn(7) MnO4- 0 54.938 +N NO3- 0 14.0067 14.0067 +N(-3) NH4+ 0 14.0067 +N(0) N2 0 14.0067 +N(+3) NO2- 0 14.0067 +N(+5) NO3- 0 14.0067 +Na Na+ 0 22.9898 22.9898 +Ni Ni+2 0 58.71 58.71 +O H2O 0 16 16 +O(-2) H2O 0 18.016 +O(0) O2 0 16 +P PO4-3 2 30.9738 30.9738 +Pb Pb+2 0 207.19 207.19 +Rb Rb+ 0 85.47 85.47 +S SO4-2 0 96.0616 32.064 +S(-2) H2S 0 32.064 +S(6) SO4-2 0 96.0616 +Se SeO4-2 0 78.96 78.96 +Se(-2) HSe- 0 78.96 +Se(4) SeO3-2 0 78.96 +Se(6) SeO4-2 0 78.96 +Si H4SiO4 0 60.0843 28.0843 +Sr Sr+2 0 87.62 87.62 +Zn Zn+2 0 65.37 65.37 +U UO2+2 0 238.029 238.029 +U(3) U+3 0 238.029 238.029 +U(4) U+4 0 238.029 238.029 +U(5) UO2+ 0 238.029 238.029 +U(6) UO2+2 0 238.029 238.029 SOLUTION_SPECIES #H+ primary master species H+ = H+ - log_k 0.0 - -gamma 9.0 0.0 + log_k 0 + -gamma 9 0 #e- primary master species e- = e- - log_k 0.0 + log_k 0 #H2O primary master species H2O = H2O - log_k 0.0 + log_k 0 #Ag+ primary master species Ag+ = Ag+ - log_k 0.0 + log_k 0 #Al+3 primary master species Al+3 = Al+3 - log_k 0.0 - -gamma 9.0 0.0 + log_k 0 + -gamma 9 0 #H3AsO4 primary master species H3AsO4 = H3AsO4 - log_k 0.0 + log_k 0 #H3BO3 primary master species H3BO3 = H3BO3 - log_k 0.0 + log_k 0 #Ba+2 primary master species Ba+2 = Ba+2 - log_k 0.0 - -gamma 5.0 0.0 + log_k 0 + -gamma 5 0 #Br- primary master species Br- = Br- - log_k 0.0 + log_k 0 #CO3-2 primary master species CO3-2 = CO3-2 - log_k 0.0 - -gamma 5.4 0.0 + log_k 0 + -gamma 5.4 0 #Ca+2 primary master species Ca+2 = Ca+2 - log_k 0.0 - -gamma 5.0 0.165 + log_k 0 + -gamma 5 0.165 #Cd+2 primary master species Cd+2 = Cd+2 - log_k 0.0 + log_k 0 #Cl- primary master species Cl- = Cl- - log_k 0.0 - -gamma 3.5 0.015 + log_k 0 + -gamma 3.5 0.015 #Cs+ primary master species Cs+ = Cs+ - log_k 0.0 + log_k 0 #Cu+2 primary master species Cu+2 = Cu+2 - log_k 0.0 - -gamma 6.0 0.0 + log_k 0 + -gamma 6 0 #F- primary master species F- = F- - log_k 0.0 - -gamma 3.5 0.0 + log_k 0 + -gamma 3.5 0 #Fe+2 primary master species Fe+2 = Fe+2 - log_k 0.0 - -gamma 6.0 0.0 - + log_k 0 + -gamma 6 0 + #Fulvate-2 primary master species Fulvate-2 = Fulvate-2 - log_k 0.0 + log_k 0 #Humate-2 primary master species Humate-2 = Humate-2 - log_k 0.0 + log_k 0 #I- primary master species I- = I- - log_k 0.0 + log_k 0 #K+ primary master species K+ = K+ - log_k 0.0 - -gamma 3.5 0.015 + log_k 0 + -gamma 3.5 0.015 #Li+ primary master species Li+ = Li+ - log_k 0.0 - -gamma 6.0 0.0 + log_k 0 + -gamma 6 0 #Mg+2 primary master species Mg+2 = Mg+2 - log_k 0.0 - -gamma 5.5 0.200 + log_k 0 + -gamma 5.5 0.2 #Mn+2 primary master species Mn+2 = Mn+2 - log_k 0.0 - -gamma 6.0 0.0 + log_k 0 + -gamma 6 0 #NO3- primary master species NO3- = NO3- - log_k 0.0 - -gamma 3.0 0.0 + log_k 0 + -gamma 3 0 #Na+ primary master species Na+ = Na+ - log_k 0.0 - -gamma 4.0 0.075 + log_k 0 + -gamma 4 0.075 #Ni+2 primary master species Ni+2 = Ni+2 - log_k 0.0 + log_k 0 #PO4-3 primary master species PO4-3 = PO4-3 - log_k 0.0 - -gamma 5.0 0.0 + log_k 0 + -gamma 5 0 #Pb+2 primary master species Pb+2 = Pb+2 - log_k 0.0 + log_k 0 #Rb+ primary master species Rb+ = Rb+ - log_k 0.0 + log_k 0 #SO4-2 primary master species SO4-2 = SO4-2 - log_k 0.0 - -gamma 5.0 -0.040 + log_k 0 + -gamma 5 -0.04 #SeO4-2 primary master species SeO4-2 = SeO4-2 - log_k 0.0 + log_k 0 #H4SiO4 primary master species H4SiO4 = H4SiO4 - log_k 0.0 + log_k 0 #Sr+2 primary master species Sr+2 = Sr+2 - log_k 0.0 - -gamma 5.26 0.121 + log_k 0 + -gamma 5.26 0.121 #UO2+2 primary master species UO2+2 = UO2+2 - log_k 0.0 + log_k 0 #Zn+2 primary master species Zn+2 = Zn+2 - log_k 0.0 - -gamma 6.0 0.0 + log_k 0 + -gamma 6 0 #Fe+3 secondary master species 0 - Fe+2 = Fe+3 + e- - log_k -13.020 - delta_h 9.680 kcal - -gamma 9.0 0.0 + Fe+2 = Fe+3 + e- + log_k -13.02 + delta_h 9.68 kcal + -gamma 9 0 #FeOH+2 1 - Fe+3 + H2O = FeOH+2 + H+ - log_k -2.19 + Fe+3 + H2O = FeOH+2 + H+ + log_k -2.19 delta_h 10.4 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeOH+ 2 - Fe+2 + H2O = FeOH+ + H+ - log_k -9.5 + Fe+2 + H2O = FeOH+ + H+ + log_k -9.5 delta_h 13.2 kcal - -gamma 5.0 0.0 + -gamma 5 0 #Fe(OH)3- 3 - Fe+2 + 3H2O = Fe(OH)3- + 3H+ - log_k -31.0 + Fe+2 + 3 H2O = Fe(OH)3- + 3 H+ + log_k -31 delta_h 30.3 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeSO4+ 4 - Fe+3 + SO4-2 = FeSO4+ - log_k 4.04 + Fe+3 + SO4-2 = FeSO4+ + log_k 4.04 delta_h 3.91 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeCl+2 5 - Fe+3 + Cl- = FeCl+2 - log_k 1.48 + Fe+3 + Cl- = FeCl+2 + log_k 1.48 delta_h 5.6 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeCl2+ 6 - Fe+3 + 2Cl- = FeCl2+ - log_k 2.13 + Fe+3 + 2 Cl- = FeCl2+ + log_k 2.13 #FeCl3 7 - Fe+3 + 3Cl- = FeCl3 - log_k 1.13 + Fe+3 + 3 Cl- = FeCl3 + log_k 1.13 #FeSO4 8 - Fe+2 + SO4-2 = FeSO4 - log_k 2.25 + Fe+2 + SO4-2 = FeSO4 + log_k 2.25 delta_h 3.23 kcal #H3SiO4- 13 - H4SiO4 = H3SiO4- + H+ - log_k -9.83 + H4SiO4 = H3SiO4- + H+ + log_k -9.83 delta_h 6.12 kcal - -analytical -302.3724 -0.050698 15669.69 108.18466 -1119669.0 - -gamma 4.0 0.0 + -analytical -302.3724 -0.050698 15669.69 108.18466 -1119669 + -gamma 4 0 #H2SiO4-2 14 - H4SiO4 = H2SiO4-2 + 2H+ - log_k -23.0 + H4SiO4 = H2SiO4-2 + 2 H+ + log_k -23 delta_h 17.6 kcal - -analytical -294.0184 -0.07265 11204.49 108.18466 -1119669.0 - -gamma 5.4 0.0 + -analytical -294.0184 -0.07265 11204.49 108.18466 -1119669 + -gamma 5.4 0 #HPO4-2 15 H+ + PO4-3 = HPO4-2 - log_k 12.346 + log_k 12.346 delta_h -3.53 kcal - -gamma 5.0 0.0 + -gamma 5 0 #H2PO4- 16 - 2H+ + PO4-3 = H2PO4- - log_k 19.553 + 2 H+ + PO4-3 = H2PO4- + log_k 19.553 delta_h -4.52 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #MgF+ 22 - Mg+2 + F- = MgF+ - log_k 1.82 + Mg+2 + F- = MgF+ + log_k 1.82 delta_h 3.2 kcal - -gamma 4.5 0.0 + -gamma 4.5 0 #CaSO4 23 - Ca+2 + SO4-2 = CaSO4 - log_k 2.3 + Ca+2 + SO4-2 = CaSO4 + log_k 2.3 delta_h 1.65 kcal #MgOH+ 24 - Mg+2 + H2O = MgOH+ + H+ - log_k -11.44 + Mg+2 + H2O = MgOH+ + H+ + log_k -11.44 delta_h 15.952 kcal - -gamma 6.5 0.0 + -gamma 6.5 0 #H3BO3 25 H3BO3 = H2BO3- + H+ - log_k -9.24 + log_k -9.24 delta_h 3.224 kcal # -analytical 24.3919 0.012078 -1343.9 -13.2258 - -gamma 2.5 0.0 + -gamma 2.5 0 #NH3 26 - NH4+ = NH3 + H+ - log_k -9.252 + NH4+ = NH3 + H+ + log_k -9.252 delta_h 12.48 kcal - -analytic 0.6322 -0.001225 -2835.76 - -gamma 2.5 0.0 + -analytic 0.6322 -0.001225 -2835.76 + -gamma 2.5 0 #NaHPO4- 30 Na+ + HPO4-2 = NaHPO4- - log_k 0.29 - -gamma 5.4 0.0 + log_k 0.29 + -gamma 5.4 0 #KHPO4- 32 K+ + HPO4-2 = KHPO4- - log_k 0.29 - -gamma 5.4 0.0 + log_k 0.29 + -gamma 5.4 0 #MgHPO4 33 - Mg+2 + HPO4-2 = MgHPO4 - log_k 2.87 + Mg+2 + HPO4-2 = MgHPO4 + log_k 2.87 delta_h 3.3 kcal #CaHPO4 34 - Ca+2 + HPO4-2 = CaHPO4 - log_k 2.739 + Ca+2 + HPO4-2 = CaHPO4 + log_k 2.739 delta_h 3.3 kcal #CH4 secondary master species CO3-2 + 10 H+ + 8 e- = CH4 + 3 H2O - log_k 41.071 - delta_h -61.039 kcal + log_k 41.071 + delta_h -61.039 kcal #H2CO3 35 -# HCO3- + H+ = H2CO3 +# HCO3- + H+ = H2CO3 # log_k 6.351 # delta_h -2.247 kcal # -analytical 356.3094 0.06091960 -21834.37 -126.8339 1684915.0 #CO2 could be used instead of H2CO3 CO3-2 + 2 H+ = CO2 + H2O - log_k 16.681 + log_k 16.681 delta_h -5.738 kcal - -analytical 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 + -analytical 464.1965 0.09344813 -26986.16 -165.75951 2248628.9 #HCO3- 68 - H+ + CO3-2 = HCO3- - log_k 10.329 + H+ + CO3-2 = HCO3- + log_k 10.329 delta_h -3.561 kcal - -analytical 107.8871 0.03252849 -5151.79 -38.92561 563713.9 - -gamma 5.4 0.0 + -analytical 107.8871 0.03252849 -5151.79 -38.92561 563713.9 + -gamma 5.4 0 #NaCO3- 69 - Na+ + CO3-2 = NaCO3- - log_k 1.27 + Na+ + CO3-2 = NaCO3- + log_k 1.27 delta_h 8.91 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #NaHCO3 70 - Na+ + HCO3- = NaHCO3 - log_k -0.25 + Na+ + HCO3- = NaHCO3 + log_k -0.25 #NaSO4- 71 Na+ + SO4-2 = NaSO4- - log_k 0.7 + log_k 0.7 delta_h 1.12 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #KSO4- 72 K+ + SO4-2 = KSO4- - log_k 0.85 + log_k 0.85 delta_h 2.25 kcal - -analytical 3.106 0.0 -673.6 - -gamma 5.4 0.0 + -analytical 3.106 0 -673.6 + -gamma 5.4 0 #MgCO3 73 - Mg+2 + CO3-2 = MgCO3 - log_k 2.98 + Mg+2 + CO3-2 = MgCO3 + log_k 2.98 delta_h 2.713 kcal - -analytical 0.9910 0.00667 + -analytical 0.991 0.00667 #MgHCO3+ 74 Mg+2 + HCO3- = MgHCO3+ - log_k 1.07 + log_k 1.07 delta_h 0.79 kcal - -analytical -59.215 0.0 2537.455 20.92298 0.0 - -gamma 4.0 0.0 + -analytical -59.215 0 2537.455 20.92298 0 + -gamma 4 0 #MgSO4 75 - Mg+2 + SO4-2 = MgSO4 - log_k 2.37 + Mg+2 + SO4-2 = MgSO4 + log_k 2.37 delta_h 4.55 kcal #CaOH+ 76 - Ca+2 + H2O = CaOH+ + H+ - log_k -12.78 - -gamma 6.0 0.0 + Ca+2 + H2O = CaOH+ + H+ + log_k -12.78 + -gamma 6 0 #CaHCO3+ 77 Ca+2 + HCO3- = CaHCO3+ - log_k 1.106 + log_k 1.106 delta_h 2.69 kcal - -analytical 1209.12 0.31294 -34765.05 -478.782 0.0 - -gamma 6.0 0.0 + -analytical 1209.12 0.31294 -34765.05 -478.782 0 + -gamma 6 0 #CaCO3 78 - Ca+2 + CO3-2 = CaCO3 - log_k 3.224 + Ca+2 + CO3-2 = CaCO3 + log_k 3.224 delta_h 3.545 kcal - -analytical -1228.732 -0.299444 35512.75 485.818 0.0 + -analytical -1228.732 -0.299444 35512.75 485.818 0 #SrHCO3+ 79 - Sr+2 + HCO3- = SrHCO3+ - log_k 1.18 + Sr+2 + HCO3- = SrHCO3+ + log_k 1.18 delta_h 6.05 kcal - -analytical -3.248 0.014867 0.0 0.0 0.0 - -gamma 5.4 0.0 + -analytical -3.248 0.014867 0 0 0 + -gamma 5.4 0 #AlOH+2 80 - Al+3 + H2O = AlOH+2 + H+ - log_k -5.0 + Al+3 + H2O = AlOH+2 + H+ + log_k -5 delta_h 11.49 kcal - -analytical -38.253 0.0 -656.27 14.327 0.0 - -gamma 5.4 0.0 + -analytical -38.253 0 -656.27 14.327 0 + -gamma 5.4 0 #Al(OH)2+ 81 - Al+3 + 2H2O = Al(OH)2+ + 2H+ - log_k -10.1 + Al+3 + 2 H2O = Al(OH)2+ + 2 H+ + log_k -10.1 delta_h 26.9 kcal - -analytical 88.5 0.0 -9391.6 -27.121 0.0 - -gamma 5.4 0.0 + -analytical 88.5 0 -9391.6 -27.121 0 + -gamma 5.4 0 #Al(OH)3 336 - Al+3 + 3H2O = Al(OH)3 + 3H+ - log_k -16.9 + Al+3 + 3 H2O = Al(OH)3 + 3 H+ + log_k -16.9 delta_h 39.89 kcal - -analytical 226.374 0.0 -18247.8 -73.597 0.0 + -analytical 226.374 0 -18247.8 -73.597 0 #Al(OH)4- 82 - Al+3 + 4H2O = Al(OH)4- + 4H+ - log_k -22.7 + Al+3 + 4 H2O = Al(OH)4- + 4 H+ + log_k -22.7 delta_h 42.3 kcal - -analytical 51.578 0.0 -11168.9 -14.865 0.0 - -gamma 4.5 0.0 + -analytical 51.578 0 -11168.9 -14.865 0 + -gamma 4.5 0 #AlF+2 83 - Al+3 + F- = AlF+2 - log_k 7.0 + Al+3 + F- = AlF+2 + log_k 7 delta_h 1.06 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #AlF2+ 84 - Al+3 + 2F- = AlF2+ - log_k 12.7 + Al+3 + 2 F- = AlF2+ + log_k 12.7 delta_h 1.98 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #AlF3 85 - Al+3 + 3F- = AlF3 - log_k 16.8 + Al+3 + 3 F- = AlF3 + log_k 16.8 delta_h 2.16 kcal #AlF4- 86 - Al+3 + 4F- = AlF4- - log_k 19.4 + Al+3 + 4 F- = AlF4- + log_k 19.4 delta_h 2.2 kcal - -gamma 4.5 0.0 + -gamma 4.5 0 #AlSO4+ 87 Al+3 + SO4-2 = AlSO4+ - log_k 3.5 + log_k 3.5 delta_h 2.29 kcal - -gamma 4.5 0.0 + -gamma 4.5 0 #Al(SO4)2- 88 - Al+3 + 2SO4-2 = Al(SO4)2- - log_k 5.0 + Al+3 + 2 SO4-2 = Al(SO4)2- + log_k 5 delta_h 3.11 kcal - -gamma 4.5 0.0 + -gamma 4.5 0 #HSO4- 89 - H+ + SO4-2 = HSO4- - log_k 1.988 + H+ + SO4-2 = HSO4- + log_k 1.988 delta_h 3.85 kcal - -analytical -56.889 0.006473 2307.9 19.8858 0.0 - -gamma 4.5 0.0 + -analytical -56.889 0.006473 2307.9 19.8858 0 + -gamma 4.5 0 #H2S secondary master species 90 - SO4-2 + 10H+ + 8e- = H2S + 4H2O - log_k 40.644 + SO4-2 + 10 H+ + 8 e- = H2S + 4 H2O + log_k 40.644 delta_h -65.44 kcal #HS- 91 - H2S = HS- + H+ - log_k -6.994 + H2S = HS- + H+ + log_k -6.994 delta_h 5.3 kcal - -analytical 11.17 -0.02386 -3279.0 - -gamma 3.5 0.0 + -analytical 11.17 -0.02386 -3279 + -gamma 3.5 0 #S-2 92 - HS- = S-2 + H+ - log_k -12.918 + HS- = S-2 + H+ + log_k -12.918 delta_h 12.1 kcal - -gamma 5.0 0.0 + -gamma 5 0 #oxy 93 -# 0.5H2O = 0.25O2 + H+ + e- +# 0.5H2O = 0.25O2 + H+ + e- # log_k -20.780 # delta_h 34.157000 kcal #O2 secondary master species - 2H2O = O2 + 4H+ + 4e- - log_k -86.08 + 2 H2O = O2 + 4 H+ + 4 e- + log_k -86.08 delta_h 134.79 kcal #H2 secondary master species 2 H+ + 2 e- = H2 - log_k -3.15 + log_k -3.15 delta_h -1.759 kcal #Fe(OH)2+ 102 - Fe+3 + 2H2O = Fe(OH)2+ + 2H+ - log_k -5.67 + Fe+3 + 2 H2O = Fe(OH)2+ + 2 H+ + log_k -5.67 delta_h 17.1 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #Fe(OH)3 103 - Fe+3 + 3H2O = Fe(OH)3 + 3H+ - log_k -12.56 + Fe+3 + 3 H2O = Fe(OH)3 + 3 H+ + log_k -12.56 delta_h 24.8 kcal #Fe(OH)4- 104 - Fe+3 + 4H2O = Fe(OH)4- + 4H+ - log_k -21.6 + Fe+3 + 4 H2O = Fe(OH)4- + 4 H+ + log_k -21.6 delta_h 31.9 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #Fe(OH)2 105 - Fe+2 + 2H2O = Fe(OH)2 + 2H+ - log_k -20.57 + Fe+2 + 2 H2O = Fe(OH)2 + 2 H+ + log_k -20.57 delta_h 28.565 kcal #FeH2PO4+ 120 - Fe+2 + H2PO4- = FeH2PO4+ - log_k 2.7 - -gamma 5.4 0.0 + Fe+2 + H2PO4- = FeH2PO4+ + log_k 2.7 + -gamma 5.4 0 #CaPO4- 121 Ca+2 + PO4-3 = CaPO4- - log_k 6.459 + log_k 6.459 delta_h 3.1 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #CaH2PO4+ 122 Ca+2 + H2PO4- = CaH2PO4+ - log_k 1.408 + log_k 1.408 delta_h 3.4 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #MgPO4- 123 Mg+2 + PO4-3 = MgPO4- - log_k 6.589 + log_k 6.589 delta_h 3.1 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #MgH2PO4+ 124 Mg+2 + H2PO4- = MgH2PO4+ - log_k 1.513 + log_k 1.513 delta_h 3.4 kcal - -gamma 5.4 0.0 + -gamma 5.4 0 #LiSO4- 126 Li+ + SO4-2 = LiSO4- - log_k 0.64 - -gamma 5.0 0.0 + log_k 0.64 + -gamma 5 0 #N2 secondary master species 2 NO3- + 12 H+ + 10 e- = N2 + 6 H2O - log_k 207.080 - delta_h -312.130 kcal + log_k 207.08 + delta_h -312.13 kcal #NH4 secondary master species 127 - NO3- + 10H+ + 8e- = NH4+ + 3H2O - log_k 119.077 + NO3- + 10 H+ + 8 e- = NH4+ + 3 H2O + log_k 119.077 delta_h -187.055 kcal #SrOH+ 129 - Sr+2 + H2O = SrOH+ + H+ - log_k -13.29 - -gamma 5.0 0.0 + Sr+2 + H2O = SrOH+ + H+ + log_k -13.29 + -gamma 5 0 #BaOH+ 130 - Ba+2 + H2O = BaOH+ + H+ - log_k -13.47 - -gamma 5.0 0.0 + Ba+2 + H2O = BaOH+ + H+ + log_k -13.47 + -gamma 5 0 #NH4SO4- 131 - NH4+ + SO4-2 = NH4SO4- - log_k 1.11 - -gamma 5.0 0.0 + NH4+ + SO4-2 = NH4SO4- + log_k 1.11 + -gamma 5 0 #SrCO3 135 - Sr+2 + CO3-2 = SrCO3 - log_k 2.81 + Sr+2 + CO3-2 = SrCO3 + log_k 2.81 delta_h 5.22 kcal - -analytical -1.019 0.012826 0.0 0.0 0.0 - -gamma 5.0 0.0 + -analytical -1.019 0.012826 0 0 0 + -gamma 5 0 #O2Sato 136 -# 0.5H2O = 0.25O2(aq) + H+ + e- +# 0.5H2O = 0.25O2(aq) + H+ + e- # log_k -11.385 #CO2 137 -# CO2 (g) + H2O = H2CO3 +# CO2 (g) + H2O = H2CO3 # -1.468 -4.776 108.38650 0.01985076 -6919.530 -40.45154 -669365.0 #FeHPO4 138 Fe+2 + HPO4-2 = FeHPO4 - log_k 3.6 + log_k 3.6 #FeHPO4+ 139 - Fe+3 + HPO4-2 = FeHPO4+ - log_k 5.43 + Fe+3 + HPO4-2 = FeHPO4+ + log_k 5.43 delta_h 5.76 kcal - -gamma 5.5 0.0 + -gamma 5.5 0 #FeHSO4+ 148 Fe+2 + HSO4- = FeHSO4+ - log_k 1.08 + log_k 1.08 #O2calc 151 -# 0.5H2O = 0.25O2(aq) + H+ + e- +# 0.5H2O = 0.25O2(aq) + H+ + e- # log_k -20.780 # delta_h 33.457 kcal #OH- 152 - H2O = OH- + H+ - log_k -14.0 + H2O = OH- + H+ + log_k -14 delta_h 13.362 kcal - -analytical -283.971 -0.05069842 13323.0 102.24447 -1119669.0 - -gamma 3.5 0.0 + -analytical -283.971 -0.05069842 13323 102.24447 -1119669 + -gamma 3.5 0 #FeH2PO4+2 156 Fe+3 + H2PO4- = FeH2PO4+2 - log_k 5.43 - -gamma 5.4 0.0 + log_k 5.43 + -gamma 5.4 0 #FeHSO4+2 159 - Fe+3 + HSO4- = FeHSO4+2 - log_k 2.48 + Fe+3 + HSO4- = FeHSO4+2 + log_k 2.48 #CaF+ 160 - Ca+2 + F- = CaF+ - log_k 0.94 + Ca+2 + F- = CaF+ + log_k 0.94 delta_h 4.12 kcal - -gamma 5.5 0.0 + -gamma 5.5 0 #BF(OH)3- 161 H3BO3 + F- = BF(OH)3- - log_k -0.4 + log_k -0.4 delta_h 1.85 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #BF2(OH)2- 162 - H3BO3 + H+ + 2F- = BF2(OH)2- + H2O - log_k 7.63 + H3BO3 + H+ + 2 F- = BF2(OH)2- + H2O + log_k 7.63 delta_h 1.618 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #BF3OH- 163 - H3BO3 + 2H+ + 3F- = BF3OH- + 2H2O - log_k 13.67 + H3BO3 + 2 H+ + 3 F- = BF3OH- + 2 H2O + log_k 13.67 delta_h -1.614 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #BF4- 164 - H3BO3 + 3H+ + 4F- = BF4- + 3H2O - log_k 20.28 + H3BO3 + 3 H+ + 4 F- = BF4- + 3 H2O + log_k 20.28 delta_h -1.846 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #FeF+2 165 - Fe+3 + F- = FeF+2 - log_k 6.2 + Fe+3 + F- = FeF+2 + log_k 6.2 delta_h 2.7 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeF2+ 166 - Fe+3 + 2F- = FeF2+ - log_k 10.8 + Fe+3 + 2 F- = FeF2+ + log_k 10.8 delta_h 4.8 kcal - -gamma 5.0 0.0 + -gamma 5 0 #FeF3 167 - Fe+3 + 3F- = FeF3 - log_k 14.0 + Fe+3 + 3 F- = FeF3 + log_k 14 delta_h 5.4 kcal #CaHSO4+ 168 - Ca+2 + HSO4- = CaHSO4+ - log_k 1.08 + Ca+2 + HSO4- = CaHSO4+ + log_k 1.08 #Mn+3 secondary master species 169 - Mn+2 = Mn+3 + e- - log_k -25.51 + Mn+2 = Mn+3 + e- + log_k -25.51 delta_h 25.8 kcal - -gamma 9.0 0.0 + -gamma 9 0 #MnCl+ 170 - Mn+2 + Cl- = MnCl+ - log_k 0.61 - -gamma 5.0 0.0 + Mn+2 + Cl- = MnCl+ + log_k 0.61 + -gamma 5 0 #MnCl2 171 - Mn+2 + 2Cl- = MnCl2 - log_k 0.25 + Mn+2 + 2 Cl- = MnCl2 + log_k 0.25 #MnCl3- 172 - Mn+2 + 3Cl- = MnCl3- - log_k -0.31 - -gamma 5.0 0.0 + Mn+2 + 3 Cl- = MnCl3- + log_k -0.31 + -gamma 5 0 #MnOH+ 173 - Mn+2 + H2O = MnOH+ + H+ - log_k -10.59 + Mn+2 + H2O = MnOH+ + H+ + log_k -10.59 delta_h 14.4 kcal - -gamma 5.0 0.0 + -gamma 5 0 #Mn(OH)3- 174 - Mn+2 + 3H2O = Mn(OH)3- + 3H+ - log_k -34.8 - -gamma 5.0 0.0 + Mn+2 + 3 H2O = Mn(OH)3- + 3 H+ + log_k -34.8 + -gamma 5 0 #MnF+ 175 - Mn+2 + F- = MnF+ - log_k 0.84 - -gamma 5.0 0.0 + Mn+2 + F- = MnF+ + log_k 0.84 + -gamma 5 0 #MnSO4 176 - Mn+2 + SO4-2 = MnSO4 - log_k 2.25 + Mn+2 + SO4-2 = MnSO4 + log_k 2.25 delta_h 3.37 kcal #Mn(NO3)2 177 - Mn+2 + 2NO3- = Mn(NO3)2 - log_k 0.6 + Mn+2 + 2 NO3- = Mn(NO3)2 + log_k 0.6 delta_h -0.396 kcal #MnHCO3+ 178 Mn+2 + HCO3- = MnHCO3+ - log_k 1.95 - -gamma 5.0 0.0 + log_k 1.95 + -gamma 5 0 #MnO4- secondary master species 179 - Mn+2 + 4H2O = MnO4- + 8H+ + 5e- - log_k -127.824 + Mn+2 + 4 H2O = MnO4- + 8 H+ + 5 e- + log_k -127.824 delta_h 176.62 kcal - -gamma 3.0 0.0 + -gamma 3 0 #MnO4-2 secondary master species 180 - Mn+2 + 4H2O = MnO4-2 + 8H+ + 4e- - log_k -118.44 + Mn+2 + 4 H2O = MnO4-2 + 8 H+ + 4 e- + log_k -118.44 delta_h 150.02 kcal - -gamma 5.0 0.0 + -gamma 5 0 #SiF6-2 201 - H4SiO4 + 4H+ + 6F- = SiF6-2 + 4H2O - log_k 30.18 + H4SiO4 + 4 H+ + 6 F- = SiF6-2 + 4 H2O + log_k 30.18 delta_h -16.26 kcal - -gamma 5.0 0.0 + -gamma 5 0 #HF 202 - H+ + F- = HF - log_k 3.18 + H+ + F- = HF + log_k 3.18 delta_h 3.18 kcal - -analytical -2.033 0.012645 429.01 0.0 0.0 + -analytical -2.033 0.012645 429.01 0 0 #HF2- 203 - H+ + 2F- = HF2- - log_k 3.76 + H+ + 2 F- = HF2- + log_k 3.76 delta_h 4.55 kcal - -gamma 3.5 0.0 + -gamma 3.5 0 #CuCl2- 206 # Cu+2 + 2Cl- + e- = CuCl2- # log_k 8.220 # delta_h 1.230 kcal - Cu+ + 2Cl- = CuCl2- - log_k 5.50 + Cu+ + 2 Cl- = CuCl2- + log_k 5.5 delta_h -0.42 kcal - -gamma 4.0 0.0 + -gamma 4 0 #CuCl3-2 207 -# Cu+2 + 3Cl- + e- = CuCl3-2 +# Cu+2 + 3Cl- + e- = CuCl3-2 # log_k 8.420 # delta_h 1.910 kcal - Cu+ + 3Cl- = CuCl3-2 - log_k 5.70 + Cu+ + 3 Cl- = CuCl3-2 + log_k 5.7 delta_h 0.26 kcal - -gamma 5.0 0.0 + -gamma 5 0 #Cu+ secondary master species 208 - Cu+2 + e- = Cu+ - log_k 2.72 + Cu+2 + e- = Cu+ + log_k 2.72 delta_h 1.65 kcal - -gamma 2.5 0.0 + -gamma 2.5 0 #CuCO3 209 - Cu+2 + CO3-2 = CuCO3 - log_k 6.73 + Cu+2 + CO3-2 = CuCO3 + log_k 6.73 #Cu(CO3)2-2 210 - Cu+2 + 2CO3-2 = Cu(CO3)2-2 - log_k 9.83 + Cu+2 + 2 CO3-2 = Cu(CO3)2-2 + log_k 9.83 #CuCl+ 211 - Cu+2 + Cl- = CuCl+ - log_k 0.43 + Cu+2 + Cl- = CuCl+ + log_k 0.43 delta_h 8.65 kcal - -gamma 4.0 0.0 + -gamma 4 0 #CuCl2 212 - Cu+2 + 2Cl- = CuCl2 - log_k 0.16 + Cu+2 + 2 Cl- = CuCl2 + log_k 0.16 delta_h 10.56 kcal #CuCl3- 213 - Cu+2 + 3Cl- = CuCl3- - log_k -2.29 + Cu+2 + 3 Cl- = CuCl3- + log_k -2.29 delta_h 13.69 kcal - -gamma 4.0 0.0 + -gamma 4 0 #CuCl4-2 214 - Cu+2 + 4Cl- = CuCl4-2 - log_k -4.59 + Cu+2 + 4 Cl- = CuCl4-2 + log_k -4.59 delta_h 17.78 kcal - -gamma 5.0 0.0 + -gamma 5 0 #CuF+ 215 - Cu+2 + F- = CuF+ - log_k 1.26 + Cu+2 + F- = CuF+ + log_k 1.26 delta_h 1.62 kcal #CuOH+ 216 - Cu+2 + H2O = CuOH+ + H+ - log_k -8.0 - -gamma 4.0 0.0 + Cu+2 + H2O = CuOH+ + H+ + log_k -8 + -gamma 4 0 #Cu(OH)2 217 - Cu+2 + 2H2O = Cu(OH)2 + 2H+ - log_k -13.68 + Cu+2 + 2 H2O = Cu(OH)2 + 2 H+ + log_k -13.68 #Cu(OH)3- 218 - Cu+2 + 3H2O = Cu(OH)3- + 3H+ - log_k -26.9 + Cu+2 + 3 H2O = Cu(OH)3- + 3 H+ + log_k -26.9 #Cu(OH)4-2 219 - Cu+2 + 4H2O = Cu(OH)4-2 + 4H+ - log_k -39.6 + Cu+2 + 4 H2O = Cu(OH)4-2 + 4 H+ + log_k -39.6 #Cu2(OH)2+2 220 - 2Cu+2 + 2H2O = Cu2(OH)2+2 + 2H+ - log_k -10.359 + 2 Cu+2 + 2 H2O = Cu2(OH)2+2 + 2 H+ + log_k -10.359 delta_h 17.539 kcal - -analytical 2.497 0.0 -3833.0 0.0 0.0 + -analytical 2.497 0 -3833 0 0 #CuSO4 221 - Cu+2 + SO4-2 = CuSO4 - log_k 2.31 + Cu+2 + SO4-2 = CuSO4 + log_k 2.31 delta_h 1.22 kcal #Cu(HS)3- 222 - Cu+2 + 3HS- = Cu(HS)3- - log_k 25.9 + Cu+2 + 3 HS- = Cu(HS)3- + log_k 25.9 #ZnCl+ 251 - Zn+2 + Cl- = ZnCl+ - log_k 0.43 + Zn+2 + Cl- = ZnCl+ + log_k 0.43 delta_h 7.79 kcal - -gamma 4.0 0.0 + -gamma 4 0 #ZnCl2 252 - Zn+2 + 2Cl- = ZnCl2 - log_k 0.45 + Zn+2 + 2 Cl- = ZnCl2 + log_k 0.45 delta_h 8.5 kcal #ZnCl3- 253 - Zn+2 + 3Cl- = ZnCl3- - log_k 0.5 + Zn+2 + 3 Cl- = ZnCl3- + log_k 0.5 delta_h 9.56 kcal - -gamma 4.0 0.0 + -gamma 4 0 #ZnCl4-2 254 - Zn+2 + 4Cl- = ZnCl4-2 - log_k 0.2 + Zn+2 + 4 Cl- = ZnCl4-2 + log_k 0.2 delta_h 10.96 kcal - -gamma 5.0 0.0 + -gamma 5 0 #ZnF+ 255 - Zn+2 + F- = ZnF+ - log_k 1.15 + Zn+2 + F- = ZnF+ + log_k 1.15 delta_h 2.22 kcal #ZnOH+ 256 - Zn+2 + H2O = ZnOH+ + H+ - log_k -8.96 + Zn+2 + H2O = ZnOH+ + H+ + log_k -8.96 delta_h 13.4 kcal #Zn(OH)2 257 - Zn+2 + 2H2O = Zn(OH)2 + 2H+ - log_k -16.9 + Zn+2 + 2 H2O = Zn(OH)2 + 2 H+ + log_k -16.9 #Zn(OH)3- 258 - Zn+2 + 3H2O = Zn(OH)3- + 3H+ - log_k -28.4 + Zn+2 + 3 H2O = Zn(OH)3- + 3 H+ + log_k -28.4 #Zn(OH)4-2 259 - Zn+2 + 4H2O = Zn(OH)4-2 + 4H+ - log_k -41.2 + Zn+2 + 4 H2O = Zn(OH)4-2 + 4 H+ + log_k -41.2 #ZnOHCl 260 - Zn+2 + H2O + Cl- = ZnOHCl + H+ - log_k -7.48 + Zn+2 + H2O + Cl- = ZnOHCl + H+ + log_k -7.48 #Zn(HS)2 261 - Zn+2 + 2HS- = Zn(HS)2 - log_k 14.94 + Zn+2 + 2 HS- = Zn(HS)2 + log_k 14.94 #Zn(HS)3- 262 - Zn+2 + 3HS- = Zn(HS)3- - log_k 16.1 + Zn+2 + 3 HS- = Zn(HS)3- + log_k 16.1 #ZnSO4 263 - Zn+2 + SO4-2 = ZnSO4 - log_k 2.37 + Zn+2 + SO4-2 = ZnSO4 + log_k 2.37 delta_h 1.36 kcal #Zn(SO4)2-2 264 - Zn+2 + 2SO4-2 = Zn(SO4)2-2 - log_k 3.28 + Zn+2 + 2 SO4-2 = Zn(SO4)2-2 + log_k 3.28 #CdCl+ 294 - Cd+2 + Cl- = CdCl+ - log_k 1.98 + Cd+2 + Cl- = CdCl+ + log_k 1.98 delta_h 0.59 kcal #CdCl2 295 - Cd+2 + 2Cl- = CdCl2 - log_k 2.6 + Cd+2 + 2 Cl- = CdCl2 + log_k 2.6 delta_h 1.24 kcal #CdCl3- 296 - Cd+2 + 3Cl- = CdCl3- - log_k 2.4 + Cd+2 + 3 Cl- = CdCl3- + log_k 2.4 delta_h 3.9 kcal #CdF+ 297 - Cd+2 + F- = CdF+ - log_k 1.1 + Cd+2 + F- = CdF+ + log_k 1.1 #CdF2 298 - Cd+2 + 2F- = CdF2 - log_k 1.5 + Cd+2 + 2 F- = CdF2 + log_k 1.5 #Cd(CO3)2-2 299 - Cd+2 + 2CO3-2 = Cd(CO3)2-2 - log_k 6.4 + Cd+2 + 2 CO3-2 = Cd(CO3)2-2 + log_k 6.4 #CdOH+ 300 - Cd+2 + H2O = CdOH+ + H+ - log_k -10.08 + Cd+2 + H2O = CdOH+ + H+ + log_k -10.08 delta_h 13.1 kcal #Cd(OH)2 301 - Cd+2 + 2H2O = Cd(OH)2 + 2H+ - log_k -20.35 + Cd+2 + 2 H2O = Cd(OH)2 + 2 H+ + log_k -20.35 #Cd(OH)3- 302 - Cd+2 + 3H2O = Cd(OH)3- + 3H+ - log_k -33.3 + Cd+2 + 3 H2O = Cd(OH)3- + 3 H+ + log_k -33.3 #Cd(OH)4-2 303 - Cd+2 + 4H2O = Cd(OH)4-2 + 4H+ - log_k -47.35 + Cd+2 + 4 H2O = Cd(OH)4-2 + 4 H+ + log_k -47.35 #Cd2OH+3 304 - 2Cd+2 + H2O = Cd2OH+3 + H+ - log_k -9.39 + 2 Cd+2 + H2O = Cd2OH+3 + H+ + log_k -9.39 delta_h 10.9 kcal #CdOHCl 305 - Cd+2 + H2O + Cl- = CdOHCl + H+ - log_k -7.404 + Cd+2 + H2O + Cl- = CdOHCl + H+ + log_k -7.404 delta_h 4.355 kcal #CdNO3+ 306 Cd+2 + NO3- = CdNO3+ - log_k 0.4 + log_k 0.4 delta_h -5.2 kcal #CdSO4 307 - Cd+2 + SO4-2 = CdSO4 - log_k 2.46 + Cd+2 + SO4-2 = CdSO4 + log_k 2.46 delta_h 1.08 kcal #CdHS+ 308 - Cd+2 + HS- = CdHS+ - log_k 10.17 + Cd+2 + HS- = CdHS+ + log_k 10.17 #Cd(HS)2 309 - Cd+2 + 2HS- = Cd(HS)2 - log_k 16.53 + Cd+2 + 2 HS- = Cd(HS)2 + log_k 16.53 #Cd(HS)3- 310 - Cd+2 + 3HS- = Cd(HS)3- - log_k 18.71 + Cd+2 + 3 HS- = Cd(HS)3- + log_k 18.71 #Cd(HS)4-2 311 - Cd+2 + 4HS- = Cd(HS)4-2 - log_k 20.9 + Cd+2 + 4 HS- = Cd(HS)4-2 + log_k 20.9 #Fe(SO4)2- 333 - Fe+3 + 2SO4-2 = Fe(SO4)2- - log_k 5.38 + Fe+3 + 2 SO4-2 = Fe(SO4)2- + log_k 5.38 delta_h 4.6 kcal #Fe2(OH)2+4 334 - 2Fe+3 + 2H2O = Fe2(OH)2+4 + 2H+ - log_k -2.95 + 2 Fe+3 + 2 H2O = Fe2(OH)2+4 + 2 H+ + log_k -2.95 delta_h 13.5 kcal #Fe3(OH)4+5 335 - 3Fe+3 + 4H2O = Fe3(OH)4+5 + 4H+ - log_k -6.3 + 3 Fe+3 + 4 H2O = Fe3(OH)4+5 + 4 H+ + log_k -6.3 delta_h 14.3 kcal #PbCl+ 341 - Pb+2 + Cl- = PbCl+ - log_k 1.6 + Pb+2 + Cl- = PbCl+ + log_k 1.6 delta_h 4.38 kcal #PbCl2 342 - Pb+2 + 2Cl- = PbCl2 - log_k 1.8 + Pb+2 + 2 Cl- = PbCl2 + log_k 1.8 delta_h 1.08 kcal #PbCl3- 343 - Pb+2 + 3Cl- = PbCl3- - log_k 1.7 + Pb+2 + 3 Cl- = PbCl3- + log_k 1.7 delta_h 2.17 kcal #PbCl4-2 344 - Pb+2 + 4Cl- = PbCl4-2 - log_k 1.38 + Pb+2 + 4 Cl- = PbCl4-2 + log_k 1.38 delta_h 3.53 kcal #Pb(CO3)2-2 345 - Pb+2 + 2CO3-2 = Pb(CO3)2-2 - log_k 10.64 + Pb+2 + 2 CO3-2 = Pb(CO3)2-2 + log_k 10.64 #PbF+ 346 - Pb+2 + F- = PbF+ - log_k 1.25 + Pb+2 + F- = PbF+ + log_k 1.25 #PbF2 347 - Pb+2 + 2F- = PbF2 - log_k 2.56 + Pb+2 + 2 F- = PbF2 + log_k 2.56 #PbF3- 348 - Pb+2 + 3F- = PbF3- - log_k 3.42 + Pb+2 + 3 F- = PbF3- + log_k 3.42 #PbF4-2 349 - Pb+2 + 4F- = PbF4-2 - log_k 3.1 + Pb+2 + 4 F- = PbF4-2 + log_k 3.1 #PbOH+ 350 - Pb+2 + H2O = PbOH+ + H+ - log_k -7.71 + Pb+2 + H2O = PbOH+ + H+ + log_k -7.71 #Pb(OH)2 351 - Pb+2 + 2H2O = Pb(OH)2 + 2H+ - log_k -17.12 + Pb+2 + 2 H2O = Pb(OH)2 + 2 H+ + log_k -17.12 #Pb(OH)3- 352 - Pb+2 + 3H2O = Pb(OH)3- + 3H+ - log_k -28.06 + Pb+2 + 3 H2O = Pb(OH)3- + 3 H+ + log_k -28.06 #Pb2OH+3 353 - 2Pb+2 + H2O = Pb2OH+3 + H+ - log_k -6.36 + 2 Pb+2 + H2O = Pb2OH+3 + H+ + log_k -6.36 #PbNO3+ 354 Pb+2 + NO3- = PbNO3+ - log_k 1.17 + log_k 1.17 #PbSO4 355 - Pb+2 + SO4-2 = PbSO4 - log_k 2.75 + Pb+2 + SO4-2 = PbSO4 + log_k 2.75 #Pb(HS)2 356 - Pb+2 + 2HS- = Pb(HS)2 - log_k 15.27 + Pb+2 + 2 HS- = Pb(HS)2 + log_k 15.27 #Pb(HS)3- 357 - Pb+2 + 3HS- = Pb(HS)3- - log_k 16.57 + Pb+2 + 3 HS- = Pb(HS)3- + log_k 16.57 #Pb3(OH)4+2 358 - 3Pb+2 + 4H2O = Pb3(OH)4+2 + 4H+ - log_k -23.88 + 3 Pb+2 + 4 H2O = Pb3(OH)4+2 + 4 H+ + log_k -23.88 delta_h 26.5 kcal #FeF+ 359 - Fe+2 + F- = FeF+ - log_k 1.0 + Fe+2 + F- = FeF+ + log_k 1 #AlHSO4+2 397 - Al+3 + HSO4- = AlHSO4+2 - log_k 0.46 + Al+3 + HSO4- = AlHSO4+2 + log_k 0.46 #NO2 secondary master species 400 - NO3- + 2H+ + 2e- = NO2- + H2O - log_k 28.57 + NO3- + 2 H+ + 2 e- = NO2- + H2O + log_k 28.57 delta_h -43.76 kcal #NiBr+ 403 - Ni+2 + Br- = NiBr+ - log_k 0.5 + Ni+2 + Br- = NiBr+ + log_k 0.5 #NiCl+ 404 - Ni+2 + Cl- = NiCl+ - log_k 0.4 + Ni+2 + Cl- = NiCl+ + log_k 0.4 #NiF+ 405 - Ni+2 + F- = NiF+ - log_k 1.3 + Ni+2 + F- = NiF+ + log_k 1.3 #NiOH+ 406 - Ni+2 + H2O = NiOH+ + H+ - log_k -9.86 + Ni+2 + H2O = NiOH+ + H+ + log_k -9.86 delta_h 12.42 kcal #Ni(OH)2 407 - Ni+2 + 2H2O = Ni(OH)2 + 2H+ - log_k -19.0 + Ni+2 + 2 H2O = Ni(OH)2 + 2 H+ + log_k -19 #Ni(OH)3- 408 - Ni+2 + 3H2O = Ni(OH)3- + 3H+ - log_k -30.0 + Ni+2 + 3 H2O = Ni(OH)3- + 3 H+ + log_k -30 #NiSO4 409 - Ni+2 + SO4-2 = NiSO4 - log_k 2.29 + Ni+2 + SO4-2 = NiSO4 + log_k 2.29 delta_h 1.52 kcal #AgBr 421 Ag+ + Br- = AgBr - log_k 4.24 + log_k 4.24 #AgBr2- 422 - Ag+ + 2Br- = AgBr2- - log_k 7.28 + Ag+ + 2 Br- = AgBr2- + log_k 7.28 #AgCl 423 Ag+ + Cl- = AgCl - log_k 3.27 + log_k 3.27 delta_h -2.68 kcal #AgCl2- 424 - Ag+ + 2Cl- = AgCl2- - log_k 5.27 + Ag+ + 2 Cl- = AgCl2- + log_k 5.27 delta_h -3.93 kcal #AgCl3-2 425 - Ag+ + 3Cl- = AgCl3-2 - log_k 5.29 + Ag+ + 3 Cl- = AgCl3-2 + log_k 5.29 #AgCl4-3 426 - Ag+ + 4Cl- = AgCl4-3 - log_k 5.51 + Ag+ + 4 Cl- = AgCl4-3 + log_k 5.51 #AgF 427 Ag+ + F- = AgF - log_k 0.36 + log_k 0.36 delta_h -2.83 kcal #AgHS 428 - Ag+ + HS- = AgHS - log_k 14.05 + Ag+ + HS- = AgHS + log_k 14.05 #Ag(HS)2- 429 - Ag+ + 2HS- = Ag(HS)2- - log_k 18.45 + Ag+ + 2 HS- = Ag(HS)2- + log_k 18.45 #AgI 430 Ag+ + I- = AgI - log_k 6.6 + log_k 6.6 #AgI2- 431 - Ag+ + 2I- = AgI2- - log_k 10.68 + Ag+ + 2 I- = AgI2- + log_k 10.68 #AgOH 432 - Ag+ + H2O = AgOH + H+ - log_k -12.0 + Ag+ + H2O = AgOH + H+ + log_k -12 #Ag(OH)2- 433 - Ag+ + 2H2O = Ag(OH)2- + 2H+ - log_k -24.0 + Ag+ + 2 H2O = Ag(OH)2- + 2 H+ + log_k -24 #AgSO4- 434 Ag+ + SO4-2 = AgSO4- - log_k 1.29 + log_k 1.29 delta_h 1.49 kcal #AgNO3 435 Ag+ + NO3- = AgNO3 - log_k -0.29 + log_k -0.29 #Ag(NO2)2- 436 - Ag+ + 2NO2- = Ag(NO2)2- - log_k 2.22 + Ag+ + 2 NO2- = Ag(NO2)2- + log_k 2.22 #ZnBr+ 447 - Zn+2 + Br- = ZnBr+ - log_k -0.58 + Zn+2 + Br- = ZnBr+ + log_k -0.58 #ZnBr2 448 - Zn+2 + 2Br- = ZnBr2 - log_k -0.98 + Zn+2 + 2 Br- = ZnBr2 + log_k -0.98 #ZnI+ 449 - Zn+2 + I- = ZnI+ - log_k -2.91 + Zn+2 + I- = ZnI+ + log_k -2.91 #ZnI2 450 - Zn+2 + 2I- = ZnI2 - log_k -1.69 + Zn+2 + 2 I- = ZnI2 + log_k -1.69 #CdBr+ 451 - Cd+2 + Br- = CdBr+ - log_k 2.17 + Cd+2 + Br- = CdBr+ + log_k 2.17 delta_h -0.81 kcal #CdBr2 452 - Cd+2 + 2Br- = CdBr2 - log_k 2.9 + Cd+2 + 2 Br- = CdBr2 + log_k 2.9 #CdI+ 453 - Cd+2 + I- = CdI+ - log_k 2.15 + Cd+2 + I- = CdI+ + log_k 2.15 delta_h -2.37 kcal #CdI2 454 - Cd+2 + 2I- = CdI2 - log_k 3.59 + Cd+2 + 2 I- = CdI2 + log_k 3.59 #PbBr+ 455 - Pb+2 + Br- = PbBr+ - log_k 1.77 + Pb+2 + Br- = PbBr+ + log_k 1.77 delta_h 2.88 kcal #PbBr2 456 - Pb+2 + 2Br- = PbBr2 - log_k 1.44 + Pb+2 + 2 Br- = PbBr2 + log_k 1.44 #PbI+ 457 - Pb+2 + I- = PbI+ - log_k 1.94 + Pb+2 + I- = PbI+ + log_k 1.94 #PbI2 458 - Pb+2 + 2I- = PbI2 - log_k 3.2 + Pb+2 + 2 I- = PbI2 + log_k 3.2 #PbCO3 468 - Pb+2 + CO3-2 = PbCO3 - log_k 7.24 + Pb+2 + CO3-2 = PbCO3 + log_k 7.24 #Pb(OH)4-2 469 - Pb+2 + 4H2O = Pb(OH)4-2 + 4H+ - log_k -39.7 + Pb+2 + 4 H2O = Pb(OH)4-2 + 4 H+ + log_k -39.7 #Pb(SO4)2-2 470 - Pb+2 + 2SO4-2 = Pb(SO4)2-2 - log_k 3.47 + Pb+2 + 2 SO4-2 = Pb(SO4)2-2 + log_k 3.47 #AgBr3-2 473 - Ag+ + 3Br- = AgBr3-2 - log_k 8.71 + Ag+ + 3 Br- = AgBr3-2 + log_k 8.71 #AgI3-2 474 - Ag+ + 3I- = AgI3-2 - log_k 13.37 + Ag+ + 3 I- = AgI3-2 + log_k 13.37 delta_h -27.03 kcal #AgI4-3 475 - Ag+ + 4I- = AgI4-3 - log_k 14.08 + Ag+ + 4 I- = AgI4-3 + log_k 14.08 #Fe(HS)2 476 - Fe+2 + 2HS- = Fe(HS)2 - log_k 8.95 + Fe+2 + 2 HS- = Fe(HS)2 + log_k 8.95 #Fe(HS)3- 477 - Fe+2 + 3HS- = Fe(HS)3- - log_k 10.987 + Fe+2 + 3 HS- = Fe(HS)3- + log_k 10.987 #H2AsO3- 478 H3AsO3 = H2AsO3- + H+ - log_k -9.15 - delta_h 27.54 kJ + log_k -9.15 + delta_h 27.54 kJ #HAsO3-2 479 - H3AsO3 = HAsO3-2 + 2H+ - log_k -23.85 - delta_h 59.41 kJ + H3AsO3 = HAsO3-2 + 2 H+ + log_k -23.85 + delta_h 59.41 kJ #AsO3-3 480 - H3AsO3 = AsO3-3 + 3H+ - log_k -39.55 - delta_h 84.73 kJ + H3AsO3 = AsO3-3 + 3 H+ + log_k -39.55 + delta_h 84.73 kJ #H4AsO3+ 481 - H3AsO3 + H+ = H4AsO3+ - log_k -0.305 + H3AsO3 + H+ = H4AsO3+ + log_k -0.305 #H2AsO4- 482 H3AsO4 = H2AsO4- + H+ - log_k -2.3 - delta_h -7.066 kJ + log_k -2.3 + delta_h -7.066 kJ #HAsO4-2 483 - H3AsO4 = HAsO4-2 + 2H+ - log_k -9.46 - delta_h -3.846 kJ + H3AsO4 = HAsO4-2 + 2 H+ + log_k -9.46 + delta_h -3.846 kJ #AsO43- 484 - H3AsO4 = AsO4-3 + 3H+ - log_k -21.11 - delta_h 14.354 kJ + H3AsO4 = AsO4-3 + 3 H+ + log_k -21.11 + delta_h 14.354 kJ #As3 secondary master species 487 H3AsO4 + H2 = H3AsO3 + H2O - log_k 22.5 - delta_h -117.480344 kJ + log_k 22.5 + delta_h -117.480344 kJ #As3S4(HS)-2 631 - 3H3AsO3 + 6HS- + 5H+ = As3S4(HS)2- + 9H2O - log_k 72.314 - -gamma 5.0 0.0 + 3 H3AsO3 + 6 HS- + 5 H+ = As3S4(HS)2- + 9 H2O + log_k 72.314 + -gamma 5 0 #AsS(OH)(HS)- 637 - H3AsO3 + 2HS- + H+ = AsS(OH)(HS)- + 2H2O - log_k 18.038 - -gamma 5.0 0.0 + H3AsO3 + 2 HS- + H+ = AsS(OH)(HS)- + 2 H2O + log_k 18.038 + -gamma 5 0 # -# TURNING OFF CHECKING FOR EQUATION BALANCE FOR +# TURNING OFF CHECKING FOR EQUATION BALANCE FOR # POLYSULFIDES # @@ -1406,73 +1410,73 @@ SOLUTION_SPECIES # Cu+2 + 2HS- + e- = CuS4S5-3 + 2H+ # (lhs) +7S # log_k 5.382 # -no_check -# -mass_balance CuS(-2)9 +# -mass_balance CuS(-2)9 # -gamma 25.0 0.0 #As3/As5 487 -# H3AsO3 + H2O = H3AsO4 + 2H+ + 2e- +# H3AsO3 + H2O = H3AsO4 + 2H+ + 2e- # log_k -18.897 # delta_h 30.015 kcal #S2-2 502 - HS- = S2-2 + H+ # (lhs) +S - log_k -14.528 + HS- = S2-2 + H+ # (lhs) +S + log_k -14.528 delta_h 11.4 kcal -no_check - -mass_balance S(-2)2 - -gamma 6.5 0.0 + -mass_balance S(-2)2 + -gamma 6.5 0 #S3-2 503 - HS- = S3-2 + H+ # (lhs) +2S - log_k -13.282 + HS- = S3-2 + H+ # (lhs) +2S + log_k -13.282 delta_h 10.4 kcal -no_check - -mass_balance S(-2)3 - -gamma 8.0 0.0 + -mass_balance S(-2)3 + -gamma 8 0 #S4-2 504 - HS- = S4-2 + H+ # (lhs) +3S - log_k -9.829 + HS- = S4-2 + H+ # (lhs) +3S + log_k -9.829 delta_h 9.7 kcal -no_check - -mass_balance S(-2)4 - -gamma 10.0 0.0 + -mass_balance S(-2)4 + -gamma 10 0 #S5-2 505 - HS- = S5-2 + H+ # (lhs) +4S - log_k -9.595 + HS- = S5-2 + H+ # (lhs) +4S + log_k -9.595 delta_h 9.3 kcal -no_check - -mass_balance S(-2)5 - -gamma 12.0 0.0 + -mass_balance S(-2)5 + -gamma 12 0 #S6-2 506 - HS- = S6-2 + H+ # (lhs) +5S - log_k -9.881 + HS- = S6-2 + H+ # (lhs) +5S + log_k -9.881 -no_check - -mass_balance S(-2)6 - -gamma 14.0 0.0 + -mass_balance S(-2)6 + -gamma 14 0 #Ag(S4)2-3 507 - Ag+ + 2HS- = Ag(S4)2-3 + 2H+ # (lhs) +6S - log_k 0.991 + Ag+ + 2 HS- = Ag(S4)2-3 + 2 H+ # (lhs) +6S + log_k 0.991 -no_check - -mass_balance AgS(-2)8 - -gamma 22.0 0.0 + -mass_balance AgS(-2)8 + -gamma 22 0 #Ag(S4)S5-3 508 - Ag+ + 2HS- = Ag(S4)S5-3 + 2H+ # (lhs) +7S - log_k 0.68 + Ag+ + 2 HS- = Ag(S4)S5-3 + 2 H+ # (lhs) +7S + log_k 0.68 -no_check - -mass_balance AgS(-2)9 - -gamma 24.0 0.0 + -mass_balance AgS(-2)9 + -gamma 24 0 #AgHS(S4)-2 509 # (lhs) +3S - Ag+ + 2HS- = AgHS(S4)-2 + H+ - log_k 10.43 + Ag+ + 2 HS- = AgHS(S4)-2 + H+ + log_k 10.43 -no_check - -mass_balance AgHS(-2)5 - -gamma 15.0 0.0 + -mass_balance AgHS(-2)5 + -gamma 15 0 # # END OF POLYSULFIDES @@ -1480,99 +1484,99 @@ SOLUTION_SPECIES #CuHCO3+ 510 Cu+2 + HCO3- = CuHCO3+ - log_k 2.7 + log_k 2.7 #ZnHCO3+ 511 Zn+2 + HCO3- = ZnHCO3+ - log_k 2.1 + log_k 2.1 #ZnCO3 512 - Zn+2 + CO3-2 = ZnCO3 - log_k 5.3 + Zn+2 + CO3-2 = ZnCO3 + log_k 5.3 #Zn(CO3)2-2 513 - Zn+2 + 2CO3-2 = Zn(CO3)2-2 - log_k 9.63 + Zn+2 + 2 CO3-2 = Zn(CO3)2-2 + log_k 9.63 #CdHCO3 514 Cd+2 + HCO3- = CdHCO3+ - log_k 1.5 + log_k 1.5 #CdCO3 515 - Cd+2 + CO3-2 = CdCO3 - log_k 2.9 + Cd+2 + CO3-2 = CdCO3 + log_k 2.9 #Cd(SO4)2-2 516 - Cd+2 + 2SO4-2 = Cd(SO4)2-2 - log_k 3.5 + Cd+2 + 2 SO4-2 = Cd(SO4)2-2 + log_k 3.5 #PbHCO3+ 517 Pb+2 + HCO3- = PbHCO3+ - log_k 2.9 + log_k 2.9 #NiCl2 518 - Ni+2 + 2Cl- = NiCl2 - log_k 0.96 + Ni+2 + 2 Cl- = NiCl2 + log_k 0.96 #NiHCO3+ 519 Ni+2 + HCO3- = NiHCO3+ - log_k 2.14 + log_k 2.14 #NiCO3 520 - Ni+2 + CO3-2 = NiCO3 - log_k 6.87 + Ni+2 + CO3-2 = NiCO3 + log_k 6.87 #Ni(CO3)2-2 521 - Ni+2 + 2CO3-2 = Ni(CO3)2-2 - log_k 10.11 + Ni+2 + 2 CO3-2 = Ni(CO3)2-2 + log_k 10.11 #Ni(SO4)2-2 522 - Ni+2 + 2SO4-2 = Ni(SO4)2-2 - log_k 1.02 + Ni+2 + 2 SO4-2 = Ni(SO4)2-2 + log_k 1.02 #HFulvate 523 - H+ + Fulvate-2 = HFulvate- - log_k 4.27 + H+ + Fulvate-2 = HFulvate- + log_k 4.27 #HHumate 524 - H+ + Humate-2 = HHumate- - log_k 4.27 + H+ + Humate-2 = HHumate- + log_k 4.27 #FeFulvate 525 - Fe+3 + Fulvate-2 = FeFulvate+ - log_k 9.4 + Fe+3 + Fulvate-2 = FeFulvate+ + log_k 9.4 #FeHumate 526 - Fe+3 + Humate-2 = FeHumate+ - log_k 9.4 + Fe+3 + Humate-2 = FeHumate+ + log_k 9.4 #CuFulvate 527 Cu+2 + Fulvate-2 = CuFulvate - log_k 6.2 + log_k 6.2 #CuHumate 528 Cu+2 + Humate-2 = CuHumate - log_k 6.2 + log_k 6.2 #CdFulvate 529 Cd+2 + Fulvate-2 = CdFulvate - log_k 3.5 + log_k 3.5 #CdHumate 530 Cd+2 + Humate-2 = CdHumate - log_k 3.5 + log_k 3.5 #AgFulvate 531 - Ag+ + Fulvate-2 = AgFulvate- - log_k 2.4 + Ag+ + Fulvate-2 = AgFulvate- + log_k 2.4 #AgHumate 532 - Ag+ + Humate-2 = AgHumate- - log_k 2.4 + Ag+ + Humate-2 = AgHumate- + log_k 2.4 #H2F2 537 - 2H+ + 2F- = H2F2 - log_k 6.768 + 2 H+ + 2 F- = H2F2 + log_k 6.768 #peS/H2S 538 # S + 2H+ + 2e- = H2S @@ -1580,1969 +1584,1969 @@ SOLUTION_SPECIES #NaF 540 Na+ + F- = NaF - log_k -0.24 + log_k -0.24 #FeCl+ 542 - Fe+2 + Cl- = FeCl+ - log_k 0.14 - -gamma 5.0 0.0 + Fe+2 + Cl- = FeCl+ + log_k 0.14 + -gamma 5 0 #BaSO4 543 - Ba+2 + SO4-2 = BaSO4 - log_k 2.7 + Ba+2 + SO4-2 = BaSO4 + log_k 2.7 #HSe- secondary master species 549 - SeO3-2 + 7H+ + 6e- = HSe- + 3H2O - log_k 42.514 + SeO3-2 + 7 H+ + 6 e- = HSe- + 3 H2O + log_k 42.514 #H2Se 544 - HSe- + H+ = H2Se - log_k 3.8 + HSe- + H+ = H2Se + log_k 3.8 delta_h -5.3 kcal #SeO3-2 secondary master species 548 - SeO4-2 + 2H+ + 2e- = SeO3-2 + H2O - log_k 30.256 + SeO4-2 + 2 H+ + 2 e- = SeO3-2 + H2O + log_k 30.256 #H2SeO3 545 - SeO3-2 + 2H+ = H2SeO3 - log_k 11.25 + SeO3-2 + 2 H+ = H2SeO3 + log_k 11.25 #HSeO3- 546 SeO3-2 + H+ = HSeO3- - log_k 8.5 + log_k 8.5 #HSeO4- 547 SeO4-2 + H+ = HSeO4- - log_k 1.66 + log_k 1.66 delta_h 4.91 kcal #Se4/Se6 548 -# SeO3-2 + H2O = SeO4-2 + 2H+ + 2e- +# SeO3-2 + H2O = SeO4-2 + 2H+ + 2e- # -30.256 0.0 #Se4/Se-2 549 -# SeO3-2 + 7H+ + 6e- = HSe- + 3H2O +# SeO3-2 + 7H+ + 6e- = HSe- + 3H2O # 42.514 0.0 #As3/As 557 -# H3AsO3 + 3H+ + 3e- = As + 3H2O +# H3AsO3 + 3H+ + 3e- = As + 3H2O # 12.170 0.0 #FeHCO3+ 558 Fe+2 + HCO3- = FeHCO3+ - log_k 2.0 + log_k 2 #FeCO3 559 - Fe+2 + CO3-2 = FeCO3 - log_k 4.38 + Fe+2 + CO3-2 = FeCO3 + log_k 4.38 #MnCO3 560 - Mn+2 + CO3-2 = MnCO3 - log_k 4.9 + Mn+2 + CO3-2 = MnCO3 + log_k 4.9 #BaHCO3+ 561 Ba+2 + HCO3- = BaHCO3+ - log_k 0.982 + log_k 0.982 delta_h 5.56 kcal - -analytical -3.0938 0.013669 0.0 0.0 0.0 + -analytical -3.0938 0.013669 0 0 0 #BaCO3 562 - Ba+2 + CO3-2 = BaCO3 - log_k 2.71 + Ba+2 + CO3-2 = BaCO3 + log_k 2.71 delta_h 3.55 kcal - -analytical 0.113 0.008721 0.0 0.0 0.0 + -analytical 0.113 0.008721 0 0 0 #SrSO4 563 - Sr+2 + SO4-2 = SrSO4 - log_k 2.29 + Sr+2 + SO4-2 = SrSO4 + log_k 2.29 delta_h 2.08 kcal #U+4 secondary master species 565 - UO2+2 + 4H+ + 2e- = U+4 + 2H2O - log_k 9.04 + UO2+2 + 4 H+ + 2 e- = U+4 + 2 H2O + log_k 9.04 delta_h -34.43 kcal #U+3 secondary master species 566 - U+4 + e- = U+3 - log_k -8.796 + U+4 + e- = U+3 + log_k -8.796 delta_h 24.4 kcal #UOH+3 567 - U+4 + H2O = UOH+3 + H+ - log_k -0.54 + U+4 + H2O = UOH+3 + H+ + log_k -0.54 delta_h 11.21 kcal #U(OH)2+2 568 - U+4 + 2H2O = U(OH)2+2 + 2H+ - log_k -2.27 + U+4 + 2 H2O = U(OH)2+2 + 2 H+ + log_k -2.27 delta_h 17.73 kcal #U(OH)3+ 569 - U+4 + 3H2O = U(OH)3+ + 3H+ - log_k -4.935 + U+4 + 3 H2O = U(OH)3+ + 3 H+ + log_k -4.935 delta_h 22.645 kcal #U(OH)4 570 - U+4 + 4H2O = U(OH)4 + 4H+ - log_k -8.498 + U+4 + 4 H2O = U(OH)4 + 4 H+ + log_k -8.498 delta_h 24.76 kcal #U6(OH)15+9 572 - 6U+4 + 15H2O = U6(OH)15+9 + 15H+ - log_k -17.2 + 6 U+4 + 15 H2O = U6(OH)15+9 + 15 H+ + log_k -17.2 #UF+3 578 - U+4 + F- = UF+3 - log_k 9.3 + U+4 + F- = UF+3 + log_k 9.3 delta_h -1.3 kcal #UF2+2 579 - U+4 + 2F- = UF2+2 - log_k 16.22 + U+4 + 2 F- = UF2+2 + log_k 16.22 delta_h -0.8 kcal #UF3+ 580 - U+4 + 3F- = UF3+ - log_k 21.6 + U+4 + 3 F- = UF3+ + log_k 21.6 delta_h 0.1 kcal #UF4 581 - U+4 + 4F- = UF4 - log_k 25.5 + U+4 + 4 F- = UF4 + log_k 25.5 delta_h -0.87 kcal #UF5- 582 - U+4 + 5F- = UF5- - log_k 27.01 + U+4 + 5 F- = UF5- + log_k 27.01 delta_h 4.85 kcal #UF6-2 583 - U+4 + 6F- = UF6-2 - log_k 29.1 + U+4 + 6 F- = UF6-2 + log_k 29.1 delta_h 3.3 kcal #UCl+3 586 - U+4 + Cl- = UCl+3 - log_k 1.72 + U+4 + Cl- = UCl+3 + log_k 1.72 delta_h -4.54 kcal #USO4+2 587 - U+4 + SO4-2 = USO4+2 - log_k 6.58 + U+4 + SO4-2 = USO4+2 + log_k 6.58 delta_h 1.9 kcal #U(SO4)2 588 - U+4 + 2SO4-2 = U(SO4)2 - log_k 10.5 + U+4 + 2 SO4-2 = U(SO4)2 + log_k 10.5 delta_h 7.8 kcal #U(CO3)4-4 589 - U+4 + 4CO3-2 = U(CO3)4-4 - log_k 32.9 + U+4 + 4 CO3-2 = U(CO3)4-4 + log_k 32.9 #U(CO3)5-6 590 - U+4 + 5CO3-2 = U(CO3)5-6 - log_k 34.0 - delta_h 20.0 kcal + U+4 + 5 CO3-2 = U(CO3)5-6 + log_k 34 + delta_h 20 kcal #UO2+ secondary master species 595 - UO2+2 + e- = UO2+ - log_k 1.49 + UO2+2 + e- = UO2+ + log_k 1.49 delta_h -3.3 kcal #UO2OH+ 596 - UO2+2 + H2O = UO2OH+ + H+ - log_k -5.2 + UO2+2 + H2O = UO2OH+ + H+ + log_k -5.2 delta_h 11.015 kcal #(UO2)2(OH)2+2 597 - 2UO2+2 + 2H2O = (UO2)2(OH)2+2 + 2H+ - log_k -5.62 + 2 UO2+2 + 2 H2O = (UO2)2(OH)2+2 + 2 H+ + log_k -5.62 delta_h 10.23 kcal #(UO2)3(OH)5+ 598 - 3UO2+2 + 5H2O = (UO2)3(OH)5+ + 5H+ - log_k -15.55 + 3 UO2+2 + 5 H2O = (UO2)3(OH)5+ + 5 H+ + log_k -15.55 delta_h 25.075 kcal #UO2CO3 603 - UO2+2 + CO3-2 = UO2CO3 - log_k 9.63 + UO2+2 + CO3-2 = UO2CO3 + log_k 9.63 delta_h 1.2 kcal #UO2(CO3)2-2 604 - UO2+2 + 2CO3-2 = UO2(CO3)2-2 - log_k 17.0 + UO2+2 + 2 CO3-2 = UO2(CO3)2-2 + log_k 17 delta_h 4.42 kcal #UO2(CO3)3-4 605 - UO2+2 + 3CO3-2 = UO2(CO3)3-4 - log_k 21.63 + UO2+2 + 3 CO3-2 = UO2(CO3)3-4 + log_k 21.63 delta_h -9.13 kcal #UO2F+ 607 - UO2+2 + F- = UO2F+ - log_k 5.09 + UO2+2 + F- = UO2F+ + log_k 5.09 delta_h 0.41 kcal #UO2F2 608 - UO2+2 + 2F- = UO2F2 - log_k 8.62 + UO2+2 + 2 F- = UO2F2 + log_k 8.62 delta_h 0.5 kcal #UO2F3- 609 - UO2+2 + 3F- = UO2F3- - log_k 10.9 + UO2+2 + 3 F- = UO2F3- + log_k 10.9 delta_h 0.56 kcal #UO2F4-2 610 - UO2+2 + 4F- = UO2F4-2 - log_k 11.7 + UO2+2 + 4 F- = UO2F4-2 + log_k 11.7 delta_h 0.07 kcal #UO2Cl+ 611 - UO2+2 + Cl- = UO2Cl+ - log_k 0.17 + UO2+2 + Cl- = UO2Cl+ + log_k 0.17 delta_h 1.9 kcal #UO2SO4 612 - UO2+2 + SO4-2 = UO2SO4 - log_k 3.15 + UO2+2 + SO4-2 = UO2SO4 + log_k 3.15 delta_h 4.7 kcal #UO2(SO4)2-2 613 - UO2+2 + 2SO4-2 = UO2(SO4)2-2 - log_k 4.14 + UO2+2 + 2 SO4-2 = UO2(SO4)2-2 + log_k 4.14 delta_h 8.4 kcal #UO2HPO4 614 - UO2+2 + PO4-3 + H+ = UO2HPO4 - log_k 20.21 + UO2+2 + PO4-3 + H+ = UO2HPO4 + log_k 20.21 delta_h -2.1 kcal #UO2(HPO4)2-2 615 - UO2+2 + 2PO4-3 + 2H+ = UO2(HPO4)2-2 - log_k 43.441 + UO2+2 + 2 PO4-3 + 2 H+ = UO2(HPO4)2-2 + log_k 43.441 delta_h -11.8 kcal #UO2H2PO4+ 616 - UO2+2 + PO4-3 + 2H+ = UO2H2PO4+ - log_k 22.87 + UO2+2 + PO4-3 + 2 H+ = UO2H2PO4+ + log_k 22.87 delta_h -3.7 kcal #UO2H2PO4)2 617 - UO2+2 + 2PO4-3 + 4H+ = UO2(H2PO4)2 - log_k 44.38 + UO2+2 + 2 PO4-3 + 4 H+ = UO2(H2PO4)2 + log_k 44.38 delta_h -16.5 kcal #UO2H2PO4)3- 618 - UO2+2 + 3PO4-3 + 6H+ = UO2(H2PO4)3- - log_k 66.245 + UO2+2 + 3 PO4-3 + 6 H+ = UO2(H2PO4)3- + log_k 66.245 delta_h -28.6 kcal #UBr+3 633 - U+4 + Br- = UBr+3 - log_k 1.5 + U+4 + Br- = UBr+3 + log_k 1.5 #UI+3 634 - U+4 + I- = UI+3 - log_k 1.3 + U+4 + I- = UI+3 + log_k 1.3 #UNO3+3 635 - U+4 + NO3- = UNO3+3 - log_k 1.47 + U+4 + NO3- = UNO3+3 + log_k 1.47 #U(NO3)2+2 636 - U+4 + 2NO3- = U(NO3)2+2 - log_k 2.3 + U+4 + 2 NO3- = U(NO3)2+2 + log_k 2.3 #UO2(OH)3- 638 - UO2+2 + 3H2O = UO2(OH)3- + 3H+ - log_k -19.2 + UO2+2 + 3 H2O = UO2(OH)3- + 3 H+ + log_k -19.2 #UO2(OH)4-2 639 - UO2+2 + 4H2O = UO2(OH)4-2 + 4H+ - log_k -33.0 + UO2+2 + 4 H2O = UO2(OH)4-2 + 4 H+ + log_k -33 #(UO2)2OH+3 640 - 2UO2+2 + H2O = (UO2)2OH+3 + H+ - log_k -2.7 + 2 UO2+2 + H2O = (UO2)2OH+3 + H+ + log_k -2.7 #(UO2)3(OH)4+2 641 - 3UO2+2 + 4H2O = (UO2)3(OH)4+2 + 4H+ - log_k -11.9 + 3 UO2+2 + 4 H2O = (UO2)3(OH)4+2 + 4 H+ + log_k -11.9 #(UO2)3(OH)7- 642 - 3UO2+2 + 7H2O = (UO2)3(OH)7- + 7H+ - log_k -31.0 + 3 UO2+2 + 7 H2O = (UO2)3(OH)7- + 7 H+ + log_k -31 #(UO2)4(OH)7+ 643 - 4UO2+2 + 7H2O = (UO2)4(OH)7+ + 7H+ - log_k -21.9 + 4 UO2+2 + 7 H2O = (UO2)4(OH)7+ + 7 H+ + log_k -21.9 #UO2Cl2 644 - UO2+2 + 2Cl- = UO2Cl2 - log_k -1.1 + UO2+2 + 2 Cl- = UO2Cl2 + log_k -1.1 delta_h 3.6 kcal #UO2Br+ 645 - UO2+2 + Br- = UO2Br+ - log_k 0.22 + UO2+2 + Br- = UO2Br+ + log_k 0.22 #UO2NO3+ 646 - UO2+2 + NO3- = UO2NO3+ - log_k 0.3 + UO2+2 + NO3- = UO2NO3+ + log_k 0.3 #UO2H3PO4+2 647 - UO2+2 + PO4-3 + 3H+ = UO2H3PO4+2 - log_k 22.813 + UO2+2 + PO4-3 + 3 H+ = UO2H3PO4+2 + log_k 22.813 #(UO2)3(CO3)6-6 648 - 3UO2+2 + 6CO3-2 = (UO2)3(CO3)6-6 - log_k 54.0 + 3 UO2+2 + 6 CO3-2 = (UO2)3(CO3)6-6 + log_k 54 #UO2PO4- 649 UO2+2 + PO4-3 = UO2PO4- - log_k 13.69 + log_k 13.69 #UO2(CO3)3-5 650 -# UO2+2 + 3CO3-2 + e- = UO2(CO3)3-5 +# UO2+2 + 3CO3-2 + e- = UO2(CO3)3-5 # log_k 8.920 - UO2+ + 3CO3-2 = UO2(CO3)3-5 - log_k 7.43 + UO2+ + 3 CO3-2 = UO2(CO3)3-5 + log_k 7.43 delta_h 3.33 kcal PHASES H2O(g) H2O = H2O - log_k 1.51 - delta_h -44.03 kJ + log_k 1.51 + delta_h -44.03 kJ # Stumm and Morgan, from NBS and Robie, Hemmingway, and Fischer (1978) -Siderite(d)(3) 9 - FeCO3 = Fe+2 + CO3-2 - log_k -10.45 +Siderite(d)(3) 9 + FeCO3 = Fe+2 + CO3-2 + log_k -10.45 -Magnesite 10 - MgCO3 = Mg+2 + CO3-2 - log_k -8.029 +Magnesite 10 + MgCO3 = Mg+2 + CO3-2 + log_k -8.029 delta_h -6.169 kcal -Dolomite(d) 11 - CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2 - log_k -16.54 +Dolomite(d) 11 + CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 + log_k -16.54 delta_h -11.09 kcal -Calcite 12 - CaCO3 = Ca+2 + CO3-2 - log_k -8.48 +Calcite 12 + CaCO3 = Ca+2 + CO3-2 + log_k -8.48 delta_h -2.297 kcal - -analytical -171.9065 -0.077993 2839.319 71.595 0.0 + -analytical -171.9065 -0.077993 2839.319 71.595 0 -Anhydrite 17 - CaSO4 = Ca+2 + SO4-2 - log_k -4.36 +Anhydrite 17 + CaSO4 = Ca+2 + SO4-2 + log_k -4.36 delta_h -1.71 kcal - -analytical 197.52 0.0 -8669.8 -69.835 0.0 + -analytical 197.52 0 -8669.8 -69.835 0 -Gypsum 18 - CaSO4:2H2O = Ca+2 + SO4-2 + 2H2O - log_k -4.58 +Gypsum 18 + CaSO4:2H2O = Ca+2 + SO4-2 + 2 H2O + log_k -4.58 delta_h -0.109 kcal - -analytical 68.2401 0.0 -3221.51 -25.0627 0.0 + -analytical 68.2401 0 -3221.51 -25.0627 0 -Brucite 19 - Mg(OH)2 + 2H+ = Mg+2 + 2H2O - log_k 16.84 +Brucite 19 + Mg(OH)2 + 2 H+ = Mg+2 + 2 H2O + log_k 16.84 delta_h -27.1 kcal -Chrysotile 20 - Mg3Si2O5(OH)4 + 6H+ = 3Mg+2 + 2H4SiO4 + H2O - log_k 32.2 +Chrysotile 20 + Mg3Si2O5(OH)4 + 6 H+ = 3 Mg+2 + 2 H4SiO4 + H2O + log_k 32.2 delta_h -46.8 kcal - -analytical 13.248 0.0 10217.1 -6.1894 0.0 + -analytical 13.248 0 10217.1 -6.1894 0 -Aragonite 21 - CaCO3 = Ca+2 + CO3-2 - log_k -8.336 +Aragonite 21 + CaCO3 = Ca+2 + CO3-2 + log_k -8.336 delta_h -2.589 kcal - -analytical -171.9773 -0.077993 2903.293 71.595 0.0 + -analytical -171.9773 -0.077993 2903.293 71.595 0 -Forsterite 27 - Mg2SiO4 + 4H+ = 2Mg+2 + H4SiO4 - log_k 28.306 +Forsterite 27 + Mg2SiO4 + 4 H+ = 2 Mg+2 + H4SiO4 + log_k 28.306 delta_h -48.578 kcal -Diopside 28 - CaMgSi2O6 + 4H+ + 2H2O = Ca+2 + Mg+2 + 2H4SiO4 - log_k 19.894 +Diopside 28 + CaMgSi2O6 + 4 H+ + 2 H2O = Ca+2 + Mg+2 + 2 H4SiO4 + log_k 19.894 delta_h -32.348 kcal -Clinoenstatite 29 - MgSiO3 + 2H+ + H2O = Mg+2 + H4SiO4 - log_k 11.342 +Clinoenstatite 29 + MgSiO3 + 2 H+ + H2O = Mg+2 + H4SiO4 + log_k 11.342 delta_h -20.049 kcal -Tremolite 31 - Ca2Mg5Si8O22(OH)2+14H+ +8H2O = 2Ca+2 +5Mg+2 +8H4SiO4 - log_k 56.574 +Tremolite 31 + Ca2Mg5Si8O22(OH)2 + 14 H+ + 8 H2O = 2 Ca+2 + 5 Mg+2 + 8 H4SiO4 + log_k 56.574 delta_h -96.853 kcal -Sepiolite 36 - Mg2Si3O7.5OH:3H2O+0.5H2O+4H+ = 2Mg+2 +3H4SiO4 - log_k 15.76 +Sepiolite 36 + Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4 + log_k 15.76 delta_h -10.7 kcal -Talc 37 - Mg3Si4O10(OH)2+4H2O+6H+=3Mg+2 +4H4SiO4 - log_k 21.399 +Talc 37 + Mg3Si4O10(OH)2 + 4 H2O + 6 H+ = 3 Mg+2 + 4 H4SiO4 + log_k 21.399 delta_h -46.352 kcal -Hydromagnesite 38 - Mg5(CO3)4(OH)2:4H2O + 2H+ = 5Mg+2 + 4CO3-2 + 6H2O - log_k -8.762 +Hydromagnesite 38 + Mg5(CO3)4(OH)2:4H2O + 2 H+ = 5 Mg+2 + 4 CO3-2 + 6 H2O + log_k -8.762 delta_h -52.244 kcal -Adularia 39 - KAlSi3O8 + 8H2O = K+ + Al(OH)4- + 3H4SiO4 - log_k -20.573 +Adularia 39 + KAlSi3O8 + 8 H2O = K+ + Al(OH)4- + 3 H4SiO4 + log_k -20.573 delta_h 30.82 kcal -Albite 40 - NaAlSi3O8 + 8H2O = Na+ + Al(OH)4- + 3H4SiO4 - log_k -18.002 +Albite 40 + NaAlSi3O8 + 8 H2O = Na+ + Al(OH)4- + 3 H4SiO4 + log_k -18.002 delta_h 25.896 kcal -Anorthite 41 - CaAl2Si2O8 + 8H2O = Ca+2 + 2Al(OH)4- + 2H4SiO4 - log_k -19.714 +Anorthite 41 + CaAl2Si2O8 + 8 H2O = Ca+2 + 2 Al(OH)4- + 2 H4SiO4 + log_k -19.714 delta_h 11.58 kcal -Analcime 42 - NaAlSi2O6:H2O + 5H2O = Na+ + Al(OH)4- + 2H4SiO4 - log_k -12.701 +Analcime 42 + NaAlSi2O6:H2O + 5 H2O = Na+ + Al(OH)4- + 2 H4SiO4 + log_k -12.701 delta_h 18.206 kcal -Kmica 43 - KAl3Si3O10(OH)2+10H+=K+ +3Al+3 +3H4SiO4 - log_k 12.703 +Kmica 43 + KAl3Si3O10(OH)2 + 10 H+ = K+ + 3 Al+3 + 3 H4SiO4 + log_k 12.703 delta_h -59.376 kcal -Phlogopite 44 - KMg3AlSi3O10(OH)2 + 10H+ = K+ + 3Mg+2 + Al+3 + 3H4SiO4 - log_k 43.3 - delta_h -42.30 kcal +Phlogopite 44 + KMg3AlSi3O10(OH)2 + 10 H+ = K+ + 3 Mg+2 + Al+3 + 3 H4SiO4 + log_k 43.3 + delta_h -42.3 kcal -Illite 45 - K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2H2O = 0.6K+ +0.25Mg+2 + 2.3Al(OH)4- + 3.5H4SiO4 + 1.2H+ - log_k -40.267 +Illite 45 + K0.6Mg0.25Al2.3Si3.5O10(OH)2 + 11.2 H2O = 0.6 K+ + 0.25 Mg+2 + 2.3 Al(OH)4- + 3.5 H4SiO4 + 1.2 H+ + log_k -40.267 delta_h 54.684 kcal -Kaolinite 46 - Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O - log_k 7.435 +Kaolinite 46 + Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O + log_k 7.435 delta_h -35.3 kcal -Halloysite 47 - Al2Si2O5(OH)4 + 6H+ = 2Al+3 + 2H4SiO4 + H2O - log_k 12.498 - delta_h -39.920 kcal +Halloysite 47 + Al2Si2O5(OH)4 + 6 H+ = 2 Al+3 + 2 H4SiO4 + H2O + log_k 12.498 + delta_h -39.92 kcal -Beidellite 48 - (NaKMg0.5)0.11Al2.33Si3.67O10(OH)2 + 12H2O = 0.11Na+ + 0.11K+ + 0.055Mg+2 + 2.33Al(OH)4- + 3.67H4SiO4 + 2H+ - log_k -45.272 +Beidellite 48 + (NaKMg0.5)0.11Al2.33Si3.67O10(OH)2 + 12 H2O = 0.11 Na+ + 0.11 K+ + 0.055 Mg+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+ + log_k -45.272 delta_h 60.355 kcal -Chlorite14A 49 - Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 + 3H4SiO4 + 6H2O - log_k 68.38 +Chlorite14A 49 + Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O + log_k 68.38 delta_h -151.494 kcal -Alunite 50 - KAl3(SO4)2(OH)6 + 6H+ = K+ + 3Al+3 + 2SO4-2 + 6H2O - log_k -1.4 +Alunite 50 + KAl3(SO4)2(OH)6 + 6 H+ = K+ + 3 Al+3 + 2 SO4-2 + 6 H2O + log_k -1.4 delta_h -50.25 kcal -Gibbsite 51 - Al(OH)3 + 3H+ = Al+3 + 3H2O - log_k 8.11 +Gibbsite 51 + Al(OH)3 + 3 H+ = Al+3 + 3 H2O + log_k 8.11 delta_h -22.8 kcal -Boehmite 52 - AlOOH + 3H+ = Al+3 + 2H2O - log_k 8.584 +Boehmite 52 + AlOOH + 3 H+ = Al+3 + 2 H2O + log_k 8.584 delta_h -28.181 kcal -Pyrophyllite 53 - Al2Si4O10(OH)2 + 12H2O = 2Al(OH)4- + 4H4SiO4 + 2H+ - log_k -48.314 +Pyrophyllite 53 + Al2Si4O10(OH)2 + 12 H2O = 2 Al(OH)4- + 4 H4SiO4 + 2 H+ + log_k -48.314 -Phillipsite 54 - Na0.5K0.5AlSi3O8:H2O + 7H2O = 0.5Na+ +0.5K+ + Al(OH)4- + 3H4SiO4 - log_k -19.874 +Phillipsite 54 + Na0.5K0.5AlSi3O8:H2O + 7 H2O = 0.5 Na+ + 0.5 K+ + Al(OH)4- + 3 H4SiO4 + log_k -19.874 -Nahcolite 58 +Nahcolite 58 NaHCO3 = Na+ + HCO3- - log_k -0.548 - delta_h 3.720 kcal + log_k -0.548 + delta_h 3.72 kcal -Trona 59 - NaHCO3:Na2CO3:2H2O = 2H2O + 3Na+ + CO3-2 + HCO3- - log_k -0.795 - delta_h -18.0 kcal +Trona 59 + NaHCO3:Na2CO3:2H2O = 2 H2O + 3 Na+ + CO3-2 + HCO3- + log_k -0.795 + delta_h -18 kcal -Natron 60 - Na2CO3:10H2O = 2Na+ + CO3-2 + 10H2O - log_k -1.311 +Natron 60 + Na2CO3:10H2O = 2 Na+ + CO3-2 + 10 H2O + log_k -1.311 delta_h 15.745 kcal -Thermonatrite 61 - Na2CO3:H2O = 2Na+ + CO3-2 + H2O - log_k 0.125 +Thermonatrite 61 + Na2CO3:H2O = 2 Na+ + CO3-2 + H2O + log_k 0.125 delta_h -2.802 kcal -Fluorite 62 - CaF2 = Ca+2 + 2F- - log_k -10.6 +Fluorite 62 + CaF2 = Ca+2 + 2 F- + log_k -10.6 delta_h 4.69 kcal - -analytical 66.348 0.0 -4298.2 -25.271 0.0 + -analytical 66.348 0 -4298.2 -25.271 0 -Montmorillonite-Ca 63 - Ca0.165Al2.33Si3.67O10(OH)2 + 12H2O = 0.165Ca+2 + 2.33Al(OH)4- + 3.67H4SiO4 + 2H+ - log_k -45.027 +Montmorillonite-Ca 63 + Ca0.165Al2.33Si3.67O10(OH)2 + 12 H2O = 0.165 Ca+2 + 2.33 Al(OH)4- + 3.67 H4SiO4 + 2 H+ + log_k -45.027 delta_h 58.373 kcal -Halite 64 - NaCl = Na+ + Cl- - log_k 1.582 +Halite 64 + NaCl = Na+ + Cl- + log_k 1.582 delta_h 0.918 kcal -Thenardite 65 - Na2SO4 = 2Na+ + SO4-2 - log_k -0.179 +Thenardite 65 + Na2SO4 = 2 Na+ + SO4-2 + log_k -0.179 delta_h -0.572 kcal -Mirabilite 66 - Na2SO4:10H2O = 2Na+ + SO4-2 + 10H2O - log_k -1.114 +Mirabilite 66 + Na2SO4:10H2O = 2 Na+ + SO4-2 + 10 H2O + log_k -1.114 delta_h 18.987 kcal -Mackinawite 67 - FeS + H+ = Fe+2 + HS- - log_k -4.648 +Mackinawite 67 + FeS + H+ = Fe+2 + HS- + log_k -4.648 -Siderite 94 - FeCO3 = Fe+2 + CO3-2 - log_k -10.89 +Siderite 94 + FeCO3 = Fe+2 + CO3-2 + log_k -10.89 delta_h -2.48 kcal -Hydroxyapatite 95 - Ca5(PO4)3OH + 4H+ = 5Ca+2 + 3HPO4-2 + H2O - log_k -3.421 +Hydroxyapatite 95 + Ca5(PO4)3OH + 4 H+ = 5 Ca+2 + 3 HPO4-2 + H2O + log_k -3.421 delta_h -36.155 kcal -Fluorapatite 96 - Ca5(PO4)3F + 3H+ = 5Ca+2 + 3HPO4-2 + F- - log_k -17.6 - delta_h -20.070 kcal +Fluorapatite 96 + Ca5(PO4)3F + 3 H+ = 5 Ca+2 + 3 HPO4-2 + F- + log_k -17.6 + delta_h -20.07 kcal -Chalcedony 97 - SiO2 + 2H2O = H4SiO4 - log_k -3.55 +Chalcedony 97 + SiO2 + 2 H2O = H4SiO4 + log_k -3.55 delta_h 4.72 kcal - -analytical -0.09 0.0 -1032.0 0.0 0.0 + -analytical -0.09 0 -1032 0 0 -Magadiite 98 - NaSi7O13(OH)3:3H2O + H+ + 9H2O = Na+ + 7H4SiO4 - log_k -14.3 +Magadiite 98 + NaSi7O13(OH)3:3H2O + H+ + 9 H2O = Na+ + 7 H4SiO4 + log_k -14.3 -Cristobalite 99 - SiO2 + 2H2O = H4SiO4 - log_k -3.587 +Cristobalite 99 + SiO2 + 2 H2O = H4SiO4 + log_k -3.587 delta_h 5.5 kcal -Silicagel 100 - SiO2 + 2H2O = H4SiO4 - log_k -3.018 - delta_h 4.440 kcal +Silicagel 100 + SiO2 + 2 H2O = H4SiO4 + log_k -3.018 + delta_h 4.44 kcal -Quartz 101 - SiO2 + 2H2O = H4SiO4 - log_k -3.98 +Quartz 101 + SiO2 + 2 H2O = H4SiO4 + log_k -3.98 delta_h 5.99 kcal - -analytical 0.41 0.0 -1309.0 0.0 0.0 + -analytical 0.41 0 -1309 0 0 -Vivianite 106 - Fe3(PO4)2:8H2O = 3Fe+2 + 2PO4-3 + 8H2O - log_k -36.0 +Vivianite 106 + Fe3(PO4)2:8H2O = 3 Fe+2 + 2 PO4-3 + 8 H2O + log_k -36 -Magnetite 107 - Fe3O4 + 8H+ = 2Fe+3 + Fe+2 + 4H2O - log_k 3.737 - delta_h -50.460 kcal +Magnetite 107 + Fe3O4 + 8 H+ = 2 Fe+3 + Fe+2 + 4 H2O + log_k 3.737 + delta_h -50.46 kcal -Hematite 108 - Fe2O3 + 6H+ = 2Fe+3 + 3H2O - log_k -4.008 +Hematite 108 + Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O + log_k -4.008 delta_h -30.845 kcal -Maghemite 109 - Fe2O3 + 6H+ = 2Fe+3 + 3H2O - log_k 6.386 +Maghemite 109 + Fe2O3 + 6 H+ = 2 Fe+3 + 3 H2O + log_k 6.386 -Goethite 110 - FeOOH + 3H+ = Fe+3 + 2H2O - log_k -1.0 - delta_h -14.48 kcal +Goethite 110 + FeOOH + 3 H+ = Fe+3 + 2 H2O + log_k -1 + delta_h -14.48 kcal -Greenalite 111 - Fe3Si2O5(OH)4 + 6H+ = 3Fe+2 + 2 H4SiO4 + H2O - log_k 20.810 +Greenalite 111 + Fe3Si2O5(OH)4 + 6 H+ = 3 Fe+2 + 2 H4SiO4 + H2O + log_k 20.81 -Fe(OH)3(a) 112 - Fe(OH)3 + 3H+ = Fe+3 + 3H2O - log_k 4.891 +Fe(OH)3(a) 112 + Fe(OH)3 + 3 H+ = Fe+3 + 3 H2O + log_k 4.891 -Annite 113 - KFe3AlSi3O10(OH)2 + 10H2O = K+ + 3Fe+2 + Al(OH)4- + 3H4SiO4 + 6OH- - log_k -85.645 - delta_h 62.480 kcal +Annite 113 + KFe3AlSi3O10(OH)2 + 10 H2O = K+ + 3 Fe+2 + Al(OH)4- + 3 H4SiO4 + 6 OH- + log_k -85.645 + delta_h 62.48 kcal -Pyrite 114 - FeS2 + 2H+ + 2e- = Fe+2 + 2HS- - log_k -18.479 +Pyrite 114 + FeS2 + 2 H+ + 2 e- = Fe+2 + 2 HS- + log_k -18.479 delta_h 11.3 kcal -Montmorillonite-BelleFourche 115 - (HNaK)0.09Mg0.29Fe0.24Al1.57Si3.93O10(OH)2 + 10H2O = 0.09H+ + 0.09Na+ + 0.09K+ + 0.29Mg+2 + 0.24Fe+3 + 1.57Al(OH)4- + 3.93H4SiO4 - log_k -34.913 +Montmorillonite-BelleFourche 115 + (HNaK)0.09Mg0.29Fe0.24Al1.57Si3.93O10(OH)2 + 10 H2O = 0.09 H+ + 0.09 Na+ + 0.09 K+ + 0.29 Mg+2 + 0.24 Fe+3 + 1.57 Al(OH)4- + 3.93 H4SiO4 + log_k -34.913 -Montmorillonite-Aberdeen 116 - (HNaK)0.14Mg0.45Fe0.33Al1.47Si3.82O10(OH)2 + 9.16H2O + 0.84H+ = 0.14H+ + 0.14Na+ + 0.14K+ + 0.45Mg+2 + 0.33Fe+3 + 1.47Al(OH)4- + 3.82H4SiO4 - log_k -29.688 +Montmorillonite-Aberdeen 116 + (HNaK)0.14Mg0.45Fe0.33Al1.47Si3.82O10(OH)2 + 9.16 H2O + 0.84 H+ = 0.14 H+ + 0.14 Na+ + 0.14 K+ + 0.45 Mg+2 + 0.33 Fe+3 + 1.47 Al(OH)4- + 3.82 H4SiO4 + log_k -29.688 -Huntite 117 - CaMg3(CO3)4 = 3Mg+2 + Ca+2 + 4CO3-2 - log_k -29.968 - delta_h -25.760 kcal +Huntite 117 + CaMg3(CO3)4 = 3 Mg+2 + Ca+2 + 4 CO3-2 + log_k -29.968 + delta_h -25.76 kcal -Greigite 118 - Fe3S4 + 4H+ = 2Fe+3 + Fe+2 + 4HS- - log_k -45.035 +Greigite 118 + Fe3S4 + 4 H+ = 2 Fe+3 + Fe+2 + 4 HS- + log_k -45.035 -FeS(ppt) 119 - FeS + H+ = Fe+2 + HS- - log_k -3.915 +FeS(ppt) 119 + FeS + H+ = Fe+2 + HS- + log_k -3.915 -Chlorite7A 125 - Mg5Al2Si3O10(OH)8 + 16H+ = 5Mg+2 + 2Al+3 +3H4SiO4 + 6H2O - log_k 71.752 +Chlorite7A 125 + Mg5Al2Si3O10(OH)8 + 16 H+ = 5 Mg+2 + 2 Al+3 + 3 H4SiO4 + 6 H2O + log_k 71.752 delta_h -155.261 kcal -Laumontite 128 - CaAl2Si4O12:4H2O + 8H2O = Ca+2 + 2Al(OH)4- + 4H4SiO4 - log_k -30.960 - delta_h 39.610 kcal +Laumontite 128 + CaAl2Si4O12:4H2O + 8 H2O = Ca+2 + 2 Al(OH)4- + 4 H4SiO4 + log_k -30.96 + delta_h 39.61 kcal -Jarosite(ss) 133 - (K0.77Na0.03H0.2)Fe3(SO4)2(OH)6 + 5.8H+ = 0.77K+ + 0.03Na+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -9.83 # WATEQ4F, Alpers and others, 1989 +Jarosite(ss) 133 + (K0.77Na0.03H0.2)Fe3(SO4)2(OH)6 + 5.8 H+ = 0.77 K+ + 0.03 Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -9.83 # WATEQ4F, Alpers and others, 1989 -Mn2(SO4)3 134 - Mn2(SO4)3 = 2Mn+3 + 3SO4-2 - log_k -5.711 - delta_h -39.060 kcal +Mn2(SO4)3 134 + Mn2(SO4)3 = 2 Mn+3 + 3 SO4-2 + log_k -5.711 + delta_h -39.06 kcal -Al(OH)3(a) 140 - Al(OH)3 + 3H+ = Al+3 + 3H2O - log_k 10.8 +Al(OH)3(a) 140 + Al(OH)3 + 3 H+ = Al+3 + 3 H2O + log_k 10.8 delta_h -26.5 kcal -Prehnite 141 - Ca2Al2Si3O10(OH)2 + 8H2O + 2H+ = 2Ca+2 + 2Al(OH)4- + 3H4SiO4 - log_k -11.695 - delta_h 10.390 kcal +Prehnite 141 + Ca2Al2Si3O10(OH)2 + 8 H2O + 2 H+ = 2 Ca+2 + 2 Al(OH)4- + 3 H4SiO4 + log_k -11.695 + delta_h 10.39 kcal -Strontianite 142 - SrCO3 = Sr+2 + CO3-2 - log_k -9.271 +Strontianite 142 + SrCO3 = Sr+2 + CO3-2 + log_k -9.271 delta_h -0.4 kcal - -analytical 155.0305 0.0 -7239.594 -56.58638 0.0 + -analytical 155.0305 0 -7239.594 -56.58638 0 -Celestite 143 - SrSO4 = Sr+2 + SO4-2 - log_k -6.63 +Celestite 143 + SrSO4 = Sr+2 + SO4-2 + log_k -6.63 delta_h -1.037 kcal - -analytical -14805.9622 -2.4660924 756968.533 5436.3588 -40553604. + -analytical -14805.9622 -2.4660924 756968.533 5436.3588 -40553604 -Barite 144 - BaSO4 = Ba+2 + SO4-2 - log_k -9.97 +Barite 144 + BaSO4 = Ba+2 + SO4-2 + log_k -9.97 delta_h 6.35 kcal - -analytical 136.035 0.0 -7680.41 -48.595 0.0 + -analytical 136.035 0 -7680.41 -48.595 0 -Witherite 145 - BaCO3 = Ba+2 + CO3-2 - log_k -8.562 +Witherite 145 + BaCO3 = Ba+2 + CO3-2 + log_k -8.562 delta_h 0.703 kcal - -analytical 607.642 0.121098 -20011.25 -236.4948 0.0 + -analytical 607.642 0.121098 -20011.25 -236.4948 0 -Strengite 146 - FePO4:2H2O = Fe+3 + PO4-3 + 2H2O - log_k -26.4 - delta_h -2.030 kcal +Strengite 146 + FePO4:2H2O = Fe+3 + PO4-3 + 2 H2O + log_k -26.4 + delta_h -2.03 kcal -Leonhardite 147 - Ca2Al4Si8O24:7H2O + 17H2O = 2Ca+2 + 4Al(OH)4- + 8H4SiO4 - log_k -69.756 - delta_h 90.070 kcal +Leonhardite 147 + Ca2Al4Si8O24:7H2O + 17 H2O = 2 Ca+2 + 4 Al(OH)4- + 8 H4SiO4 + log_k -69.756 + delta_h 90.07 kcal -Nesquehonite 149 - MgCO3:3H2O = Mg+2 + CO3-2 + 3H2O - log_k -5.621 +Nesquehonite 149 + MgCO3:3H2O = Mg+2 + CO3-2 + 3 H2O + log_k -5.621 delta_h -5.789 kcal -Artinite 150 - MgCO3:Mg(OH)2:3H2O + 2H+ = 2Mg+2 + CO3-2 + 5H2O - log_k 9.6 +Artinite 150 + MgCO3:Mg(OH)2:3H2O + 2 H+ = 2 Mg+2 + CO3-2 + 5 H2O + log_k 9.6 delta_h -28.742 kcal -Sepiolite(d) 153 - Mg2Si3O7.5OH:3H2O+0.5H2O+4H+=2Mg+2 +3H4SiO4 - log_k 18.66 +Sepiolite(d) 153 + Mg2Si3O7.5OH:3H2O + 0.5 H2O + 4 H+ = 2 Mg+2 + 3 H4SiO4 + log_k 18.66 -Diaspore 154 - AlOOH + 3H+ = Al+3 + 2H2O - log_k 6.879 +Diaspore 154 + AlOOH + 3 H+ = Al+3 + 2 H2O + log_k 6.879 delta_h -24.681 kcal -Wairakite 155 - CaAl2Si4O12:2H2O + 10H2O = Ca+2 + 2Al(OH)4- + 4H4SiO4 - log_k -26.708 - delta_h 26.140 kcal +Wairakite 155 + CaAl2Si4O12:2H2O + 10 H2O = Ca+2 + 2 Al(OH)4- + 4 H4SiO4 + log_k -26.708 + delta_h 26.14 kcal -Fe(OH)2.7Cl.3 181 - Fe(OH)2.7Cl0.3 + 2.7H+ = Fe+3 + 2.7H2O + 0.3 Cl- - log_k -3.040 +Fe(OH)2.7Cl.3 181 + Fe(OH)2.7Cl0.3 + 2.7 H+ = Fe+3 + 2.7 H2O + 0.3 Cl- + log_k -3.04 -MnSO4 182 - MnSO4 = Mn+2 + SO4-2 - log_k 2.669 - delta_h -15.480 kcal +MnSO4 182 + MnSO4 = Mn+2 + SO4-2 + log_k 2.669 + delta_h -15.48 kcal -Pyrolusite 183 - MnO2 + 4H+ + 2e- = Mn+2 + 2H2O - log_k 41.38 +Pyrolusite 183 + MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O + log_k 41.38 delta_h -65.11 kcal -Birnessite 184 - MnO2 + 4H+ + 2e- = Mn+2 + 2H2O - log_k 43.601 +Birnessite 184 + MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O + log_k 43.601 -Nsutite 185 - MnO2 + 4H+ + 2e- = Mn+2 + 2H2O - log_k 42.564 +Nsutite 185 + MnO2 + 4 H+ + 2 e- = Mn+2 + 2 H2O + log_k 42.564 -Bixbyite 186 - Mn2O3 + 6H+ = 2Mn+3 + 3H2O - log_k -0.611 +Bixbyite 186 + Mn2O3 + 6 H+ = 2 Mn+3 + 3 H2O + log_k -0.611 delta_h -15.245 kcal -Hausmannite 187 - Mn3O4 + 8H+ + 2e- = 3Mn+2 + 4H2O - log_k 61.03 +Hausmannite 187 + Mn3O4 + 8 H+ + 2 e- = 3 Mn+2 + 4 H2O + log_k 61.03 delta_h -100.64 kcal -Pyrochroite 188 - Mn(OH)2 + 2H+ = Mn+2 + 2H2O - log_k 15.2 - -Manganite 189 - MnOOH + 3H+ + e- = Mn+2 + 2H2O - log_k 25.340 - -Rhodochrosite(d) 190 - MnCO3 = Mn+2 + CO3-2 - log_k -10.390 - -MnCl2:4H2O 191 - MnCl2:4H2O = Mn+2 + 2Cl- + 4H2O - log_k 2.710 - delta_h 17.380 kcal - -MnS(Green) 192 - MnS + H+ = Mn+2 + HS- - log_k 3.8 - delta_h -5.790 kcal - -Mn3(PO4)2 193 - Mn3(PO4)2 = 3Mn+2 + 2PO4-3 - log_k -23.827 - delta_h 2.120 kcal - -MnHPO4 194 - MnHPO4 = Mn+2 + HPO4-2 - log_k -12.947 - -Jarosite-Na 204 - NaFe3(SO4)2(OH)6 + 6H+ = Na+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -5.280 - delta_h -36.180 kcal - -Jarosite-K 205 - KFe3(SO4)2(OH)6 + 6H+ = K+ + 3Fe+3 + 2SO4-2 + 6H2O - log_k -9.21 +Pyrochroite 188 + Mn(OH)2 + 2 H+ = Mn+2 + 2 H2O + log_k 15.2 + +Manganite 189 + MnOOH + 3 H+ + e- = Mn+2 + 2 H2O + log_k 25.34 + +Rhodochrosite(d) 190 + MnCO3 = Mn+2 + CO3-2 + log_k -10.39 + +MnCl2:4H2O 191 + MnCl2:4H2O = Mn+2 + 2 Cl- + 4 H2O + log_k 2.71 + delta_h 17.38 kcal + +MnS(Green) 192 + MnS + H+ = Mn+2 + HS- + log_k 3.8 + delta_h -5.79 kcal + +Mn3(PO4)2 193 + Mn3(PO4)2 = 3 Mn+2 + 2 PO4-3 + log_k -23.827 + delta_h 2.12 kcal + +MnHPO4 194 + MnHPO4 = Mn+2 + HPO4-2 + log_k -12.947 + +Jarosite-Na 204 + NaFe3(SO4)2(OH)6 + 6 H+ = Na+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -5.28 + delta_h -36.18 kcal + +Jarosite-K 205 + KFe3(SO4)2(OH)6 + 6 H+ = K+ + 3 Fe+3 + 2 SO4-2 + 6 H2O + log_k -9.21 delta_h -31.28 kcal -CuMetal 223 - Cu = Cu+ + e- - log_k -8.760 - delta_h 17.130 kcal +CuMetal 223 + Cu = Cu+ + e- + log_k -8.76 + delta_h 17.13 kcal -Nantokite 224 - CuCl = Cu+ + Cl- - log_k -6.760 - delta_h 9.980 kcal +Nantokite 224 + CuCl = Cu+ + Cl- + log_k -6.76 + delta_h 9.98 kcal -CuF 225 - CuF = Cu+ + F- - log_k 7.080 - delta_h -12.370 kcal +CuF 225 + CuF = Cu+ + F- + log_k 7.08 + delta_h -12.37 kcal -Cuprite 226 - Cu2O + 2H+ = 2Cu+ + H2O - log_k -1.550 +Cuprite 226 + Cu2O + 2 H+ = 2 Cu+ + H2O + log_k -1.55 delta_h 6.245 kcal -Chalcocite 227 - Cu2S + H+ = 2Cu+ + HS- - log_k -34.619 - delta_h 49.350 kcal +Chalcocite 227 + Cu2S + H+ = 2 Cu+ + HS- + log_k -34.619 + delta_h 49.35 kcal -Cu2SO4 228 - Cu2SO4 = 2Cu+ + SO4-2 - log_k -1.950 - delta_h -4.560 kcal +Cu2SO4 228 + Cu2SO4 = 2 Cu+ + SO4-2 + log_k -1.95 + delta_h -4.56 kcal -CuprousFerrite 229 - CuFeO2 + 4H+ = Cu+ + Fe+3 + 2H2O - log_k -8.920 +CuprousFerrite 229 + CuFeO2 + 4 H+ = Cu+ + Fe+3 + 2 H2O + log_k -8.92 delta_h -3.8 kcal -Melanothallite 230 - CuCl2 = Cu+2 + 2Cl- - log_k 3.730 - delta_h -12.320 kcal - -CuCO3 231 - CuCO3 = Cu+2 + CO3-2 - log_k -9.630 - -CuF2 232 - CuF2 = Cu+2 + 2F- - log_k -0.620 - delta_h -13.320 kcal - -CuF2:2H2O 233 - CuF2:2H2O = Cu+2 + 2F- + 2H2O - log_k -4.550 - delta_h -3.650 kcal - -Cu(OH)2 234 - Cu(OH)2 + 2H+ = Cu+2 + 2H2O - log_k 8.640 - delta_h -15.250 kcal - -Malachite 235 - Cu2(OH)2CO3 + 3H+ = 2Cu+2 + 2H2O + HCO3- - log_k 5.150 - delta_h -19.760 kcal - -Azurite 236 - Cu3(OH)2(CO3)2 + 4H+ = 3Cu+2 + 2H2O + 2HCO3- - log_k 3.750 - delta_h -30.870 kcal - -Atacamite 237 - Cu2(OH)3Cl + 3H+ = 2Cu+2 + 3H2O + Cl- - log_k 7.340 - delta_h -18.690 kcal - -Cu2(OH)3NO3 238 - Cu2(OH)3NO3 + 3H+ = 2Cu+2 + 3H2O + NO3- - log_k 9.240 - delta_h -17.350 kcal - -Antlerite 239 - Cu3(OH)4SO4 + 4H+ = 3Cu+2 + 4H2O + SO4-2 - log_k 8.290 - -Brochantite 240 - Cu4(OH)6SO4 + 6H+ = 4Cu+2 + 6H2O + SO4-2 - log_k 15.340 - -Langite 241 - Cu4(OH)6SO4:H2O + 6H+ = 4Cu+2 + 7H2O + SO4-2 - log_k 16.790 - delta_h -39.610 kcal - -Tenorite 242 - CuO + 2H+ = Cu+2 + H2O - log_k 7.620 - delta_h -15.240 kcal - -CuOCuSO4 243 - CuO:CuSO4 + 2H+ = 2Cu+2 + H2O + SO4-2 - log_k 11.530 +Melanothallite 230 + CuCl2 = Cu+2 + 2 Cl- + log_k 3.73 + delta_h -12.32 kcal + +CuCO3 231 + CuCO3 = Cu+2 + CO3-2 + log_k -9.63 + +CuF2 232 + CuF2 = Cu+2 + 2 F- + log_k -0.62 + delta_h -13.32 kcal + +CuF2:2H2O 233 + CuF2:2H2O = Cu+2 + 2 F- + 2 H2O + log_k -4.55 + delta_h -3.65 kcal + +Cu(OH)2 234 + Cu(OH)2 + 2 H+ = Cu+2 + 2 H2O + log_k 8.64 + delta_h -15.25 kcal + +Malachite 235 + Cu2(OH)2CO3 + 3 H+ = 2 Cu+2 + 2 H2O + HCO3- + log_k 5.15 + delta_h -19.76 kcal + +Azurite 236 + Cu3(OH)2(CO3)2 + 4 H+ = 3 Cu+2 + 2 H2O + 2 HCO3- + log_k 3.75 + delta_h -30.87 kcal + +Atacamite 237 + Cu2(OH)3Cl + 3 H+ = 2 Cu+2 + 3 H2O + Cl- + log_k 7.34 + delta_h -18.69 kcal + +Cu2(OH)3NO3 238 + Cu2(OH)3NO3 + 3 H+ = 2 Cu+2 + 3 H2O + NO3- + log_k 9.24 + delta_h -17.35 kcal + +Antlerite 239 + Cu3(OH)4SO4 + 4 H+ = 3 Cu+2 + 4 H2O + SO4-2 + log_k 8.29 + +Brochantite 240 + Cu4(OH)6SO4 + 6 H+ = 4 Cu+2 + 6 H2O + SO4-2 + log_k 15.34 + +Langite 241 + Cu4(OH)6SO4:H2O + 6 H+ = 4 Cu+2 + 7 H2O + SO4-2 + log_k 16.79 + delta_h -39.61 kcal + +Tenorite 242 + CuO + 2 H+ = Cu+2 + H2O + log_k 7.62 + delta_h -15.24 kcal + +CuOCuSO4 243 + CuO:CuSO4 + 2 H+ = 2 Cu+2 + H2O + SO4-2 + log_k 11.53 delta_h -35.575 kcal -Cu3(PO4)2 244 - Cu3(PO4)2 = 3Cu+2 + 2PO4-3 - log_k -36.850 - -Cu3(PO4)2:3H2O 245 - Cu3(PO4)2:3H2O = 3Cu+2 + 2PO4-3 + 3H2O - log_k -35.120 - -Covellite 246 - CuS + H+ = Cu+2 + HS- - log_k -22.270 - delta_h 24.010 kcal - -CuSO4 247 - CuSO4 = Cu+2 + SO4-2 - log_k 3.010 - delta_h -18.140 kcal - -Chalcanthite 248 - CuSO4:5H2O = Cu+2 + SO4-2 + 5H2O - log_k -2.640 - delta_h 1.440 kcal - -CupricFerrite 249 - CuFe2O4 + 8H+ = Cu+2 + 2Fe+3 + 4H2O - log_k 5.880 - delta_h -38.690 kcal - -Chalcopyrite 250 - CuFeS2 + 2H+ = Cu+2 + Fe+2 + 2HS- - log_k -35.270 - delta_h 35.480 kcal - -ZnMetal 265 - Zn = Zn+2 + 2e- - log_k 25.757 - delta_h -36.780 kcal - -Zn(BO2)2 266 - Zn(BO2)2 + 2H2O + 2H+ = Zn+2 + 2H3BO3 - log_k 8.290 - -ZnCl2 267 - ZnCl2 = Zn+2 + 2Cl- - log_k 7.030 - delta_h -17.480 kcal - -Smithsonite 268 - ZnCO3 = Zn+2 + CO3-2 - log_k -10.0 +Cu3(PO4)2 244 + Cu3(PO4)2 = 3 Cu+2 + 2 PO4-3 + log_k -36.85 + +Cu3(PO4)2:3H2O 245 + Cu3(PO4)2:3H2O = 3 Cu+2 + 2 PO4-3 + 3 H2O + log_k -35.12 + +Covellite 246 + CuS + H+ = Cu+2 + HS- + log_k -22.27 + delta_h 24.01 kcal + +CuSO4 247 + CuSO4 = Cu+2 + SO4-2 + log_k 3.01 + delta_h -18.14 kcal + +Chalcanthite 248 + CuSO4:5H2O = Cu+2 + SO4-2 + 5 H2O + log_k -2.64 + delta_h 1.44 kcal + +CupricFerrite 249 + CuFe2O4 + 8 H+ = Cu+2 + 2 Fe+3 + 4 H2O + log_k 5.88 + delta_h -38.69 kcal + +Chalcopyrite 250 + CuFeS2 + 2 H+ = Cu+2 + Fe+2 + 2 HS- + log_k -35.27 + delta_h 35.48 kcal + +ZnMetal 265 + Zn = Zn+2 + 2 e- + log_k 25.757 + delta_h -36.78 kcal + +Zn(BO2)2 266 + Zn(BO2)2 + 2 H2O + 2 H+ = Zn+2 + 2 H3BO3 + log_k 8.29 + +ZnCl2 267 + ZnCl2 = Zn+2 + 2 Cl- + log_k 7.03 + delta_h -17.48 kcal + +Smithsonite 268 + ZnCO3 = Zn+2 + CO3-2 + log_k -10 delta_h -4.36 kcal -ZnCO3:H2O 269 - ZnCO3:H2O = Zn+2 + CO3-2 + H2O - log_k -10.260 - -ZnF2 270 - ZnF2 = Zn+2 + 2F- - log_k -1.520 - delta_h -13.080 kcal - -Zn(OH)2-a 271 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 12.450 - -Zn(OH)2-c 272 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 12.2 - -Zn(OH)2-b 273 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.750 - -Zn(OH)2-g 274 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.710 - -Zn(OH)2-e 275 - Zn(OH)2 + 2H+ = Zn+2 + 2H2O - log_k 11.5 - -Zn2(OH)3Cl 276 - Zn2(OH)3Cl + 3H+= 2Zn+2 + 3H2O + Cl- - log_k 15.2 - -Zn5(OH)8Cl2 277 - Zn5(OH)8Cl2 + 8H+ = 5Zn+2 + 8H2O + 2Cl- - log_k 38.5 - -Zn2(OH)2SO4 278 - Zn2(OH)2SO4 + 2H+ = 2Zn+2 + 2H2O + SO4-2 - log_k 7.5 - -Zn4(OH)6SO4 279 - Zn4(OH)6SO4 + 6H+ = 4Zn+2 + 6H2O + SO4-2 - log_k 28.4 - -Zn(NO3)2:6H2O 280 - Zn(NO3)2:6H2O = Zn+2 + 2NO3- + 6H2O - log_k 3.440 - delta_h 5.510 kcal - -ZnO(a) 281 - ZnO + 2H+ = Zn+2 + H2O - log_k 11.310 - -Zincite(c) 282 - ZnO + 2H+ = Zn+2 + H2O - log_k 11.140 - delta_h -21.860 kcal - -Zn3O(SO4)2 283 - ZnO:2ZnSO4 + 2H+ = 3Zn+2 + 2SO4-2 + H2O - log_k 19.020 - delta_h -62.0 kcal - -Zn3(PO4)2:4w 284 - Zn3(PO4)2:4H2O = 3Zn+2 + 2PO4-3 + 4H2O - log_k -32.040 - -ZnS(a) 285 - ZnS + H+ = Zn+2 + HS- - log_k -9.052 - delta_h 3.670 kcal - -Sphalerite 286 - ZnS + H+ = Zn+2 + HS- - log_k -11.618 +ZnCO3:H2O 269 + ZnCO3:H2O = Zn+2 + CO3-2 + H2O + log_k -10.26 + +ZnF2 270 + ZnF2 = Zn+2 + 2 F- + log_k -1.52 + delta_h -13.08 kcal + +Zn(OH)2-a 271 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 12.45 + +Zn(OH)2-c 272 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 12.2 + +Zn(OH)2-b 273 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.75 + +Zn(OH)2-g 274 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.71 + +Zn(OH)2-e 275 + Zn(OH)2 + 2 H+ = Zn+2 + 2 H2O + log_k 11.5 + +Zn2(OH)3Cl 276 + Zn2(OH)3Cl + 3 H+ = 2 Zn+2 + 3 H2O + Cl- + log_k 15.2 + +Zn5(OH)8Cl2 277 + Zn5(OH)8Cl2 + 8 H+ = 5 Zn+2 + 8 H2O + 2 Cl- + log_k 38.5 + +Zn2(OH)2SO4 278 + Zn2(OH)2SO4 + 2 H+ = 2 Zn+2 + 2 H2O + SO4-2 + log_k 7.5 + +Zn4(OH)6SO4 279 + Zn4(OH)6SO4 + 6 H+ = 4 Zn+2 + 6 H2O + SO4-2 + log_k 28.4 + +Zn(NO3)2:6H2O 280 + Zn(NO3)2:6H2O = Zn+2 + 2 NO3- + 6 H2O + log_k 3.44 + delta_h 5.51 kcal + +ZnO(a) 281 + ZnO + 2 H+ = Zn+2 + H2O + log_k 11.31 + +Zincite(c) 282 + ZnO + 2 H+ = Zn+2 + H2O + log_k 11.14 + delta_h -21.86 kcal + +Zn3O(SO4)2 283 + ZnO:2ZnSO4 + 2 H+ = 3 Zn+2 + 2 SO4-2 + H2O + log_k 19.02 + delta_h -62 kcal + +Zn3(PO4)2:4w 284 + Zn3(PO4)2:4H2O = 3 Zn+2 + 2 PO4-3 + 4 H2O + log_k -32.04 + +ZnS(a) 285 + ZnS + H+ = Zn+2 + HS- + log_k -9.052 + delta_h 3.67 kcal + +Sphalerite 286 + ZnS + H+ = Zn+2 + HS- + log_k -11.618 delta_h 8.25 kcal -Wurtzite 287 - ZnS + H+ = Zn+2 + HS- - log_k -9.682 - delta_h 5.060 kcal +Wurtzite 287 + ZnS + H+ = Zn+2 + HS- + log_k -9.682 + delta_h 5.06 kcal -ZnSiO3 288 - ZnSiO3 + 2H+ + H2O = Zn+2 + H4SiO4 - log_k 2.930 - delta_h -18.270 kcal +ZnSiO3 288 + ZnSiO3 + 2 H+ + H2O = Zn+2 + H4SiO4 + log_k 2.93 + delta_h -18.27 kcal -Willemite 289 - Zn2SiO4 + 4H+ = 2Zn+2 + H4SiO4 - log_k 15.33 +Willemite 289 + Zn2SiO4 + 4 H+ = 2 Zn+2 + H4SiO4 + log_k 15.33 delta_h -33.37 kcal -Zincosite 290 - ZnSO4 = Zn+2 + SO4-2 - log_k 3.010 +Zincosite 290 + ZnSO4 = Zn+2 + SO4-2 + log_k 3.01 delta_h -19.2 kcal -ZnSO4:H2O 291 - ZnSO4:H2O = Zn+2 + SO4-2 + H2O - log_k -0.570 - delta_h -10.640 kcal +ZnSO4:H2O 291 + ZnSO4:H2O = Zn+2 + SO4-2 + H2O + log_k -0.57 + delta_h -10.64 kcal -Bianchite 292 - ZnSO4:6H2O = Zn+2 + SO4-2 + 6H2O - log_k -1.765 - delta_h -0.160 kcal +Bianchite 292 + ZnSO4:6H2O = Zn+2 + SO4-2 + 6 H2O + log_k -1.765 + delta_h -0.16 kcal -Goslarite 293 - ZnSO4:7H2O = Zn+2 + SO4-2 + 7H2O - log_k -1.960 +Goslarite 293 + ZnSO4:7H2O = Zn+2 + SO4-2 + 7 H2O + log_k -1.96 delta_h 3.3 kcal -CdMetal 312 - Cd = Cd+2 + 2e- - log_k 13.490 - delta_h -18.0 kcal +CdMetal 312 + Cd = Cd+2 + 2 e- + log_k 13.49 + delta_h -18 kcal -Cd(gamma) 313 - Cd = Cd+2 + 2e- - log_k 13.590 - delta_h -18.140 kcal +Cd(gamma) 313 + Cd = Cd+2 + 2 e- + log_k 13.59 + delta_h -18.14 kcal -Cd(BO2)2 314 - Cd(BO2)2 + 2H2O + 2H+ = Cd+2 + 2H3BO3 - log_k 9.840 +Cd(BO2)2 314 + Cd(BO2)2 + 2 H2O + 2 H+ = Cd+2 + 2 H3BO3 + log_k 9.84 -Otavite 315 - CdCO3 = Cd+2 + CO3-2 - log_k -12.1 +Otavite 315 + CdCO3 = Cd+2 + CO3-2 + log_k -12.1 delta_h -0.019 kcal -CdCl2 316 - CdCl2 = Cd+2 + 2Cl- - log_k -0.68 +CdCl2 316 + CdCl2 = Cd+2 + 2 Cl- + log_k -0.68 delta_h -4.47 kcal -CdCl2:H2O 317 - CdCl2:H2O = Cd+2 + 2Cl- + H2O - log_k -1.71 +CdCl2:H2O 317 + CdCl2:H2O = Cd+2 + 2 Cl- + H2O + log_k -1.71 delta_h -1.82 kcal -CdCl2:2.5H2O 318 - CdCl2:2.5H2O = Cd+2 + 2Cl- + 2.5H2O - log_k -1.940 - delta_h 1.710 kcal +CdCl2:2.5H2O 318 + CdCl2:2.5H2O = Cd+2 + 2 Cl- + 2.5 H2O + log_k -1.94 + delta_h 1.71 kcal -CdF2 319 - CdF2 = Cd+2 + 2F- - log_k -2.980 - delta_h -9.720 kcal +CdF2 319 + CdF2 = Cd+2 + 2 F- + log_k -2.98 + delta_h -9.72 kcal -Cd(OH)2(a) 320 - Cd(OH)2 + 2H+ = Cd+2 + 2H2O - log_k 13.730 - delta_h -20.770 kcal +Cd(OH)2(a) 320 + Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O + log_k 13.73 + delta_h -20.77 kcal -Cd(OH)2 321 - Cd(OH)2 + 2H+ = Cd+2 + 2H2O - log_k 13.65 +Cd(OH)2 321 + Cd(OH)2 + 2 H+ = Cd+2 + 2 H2O + log_k 13.65 -CdOHCl 322 - CdOHCl + H+ = Cd+2 + H2O + Cl- - log_k 3.520 +CdOHCl 322 + CdOHCl + H+ = Cd+2 + H2O + Cl- + log_k 3.52 delta_h -7.407 kcal -Cd3(OH)4SO4 323 - Cd3(OH)4SO4 + 4H+ = 3Cd+2 + 4H2O + SO4-2 - log_k 22.560 +Cd3(OH)4SO4 323 + Cd3(OH)4SO4 + 4 H+ = 3 Cd+2 + 4 H2O + SO4-2 + log_k 22.56 -Cd3(OH)2(SO4)2 324 - Cd3(OH)2(SO4)2 + 2H+ = 3Cd+2 + 2H2O + 2SO4-2 - log_k 6.710 +Cd3(OH)2(SO4)2 324 + Cd3(OH)2(SO4)2 + 2 H+ = 3 Cd+2 + 2 H2O + 2 SO4-2 + log_k 6.71 -Cd4(OH)6SO4 325 - Cd4(OH)6SO4 + 6H+ = 4Cd+2 + 6H2O + SO4-2 - log_k 28.4 +Cd4(OH)6SO4 325 + Cd4(OH)6SO4 + 6 H+ = 4 Cd+2 + 6 H2O + SO4-2 + log_k 28.4 -Monteponite 326 - CdO + 2H+ = Cd+2 + H2O - log_k 13.770 - delta_h -24.760 kcal +Monteponite 326 + CdO + 2 H+ = Cd+2 + H2O + log_k 13.77 + delta_h -24.76 kcal -Cd3(PO4)2 327 - Cd3(PO4)2 = 3Cd+2 + 2PO4-3 - log_k -32.6 +Cd3(PO4)2 327 + Cd3(PO4)2 = 3 Cd+2 + 2 PO4-3 + log_k -32.6 -CdSiO3 328 - CdSiO3 + H2O + 2H+ = Cd+2 + H4SiO4 - log_k 9.06 +CdSiO3 328 + CdSiO3 + H2O + 2 H+ = Cd+2 + H4SiO4 + log_k 9.06 delta_h -16.63 kcal -CdSO4 329 - CdSO4 = Cd+2 + SO4-2 - log_k -0.1 +CdSO4 329 + CdSO4 = Cd+2 + SO4-2 + log_k -0.1 delta_h -14.74 kcal -CdSO4:H2O 330 - CdSO4:H2O = Cd+2 + SO4-2 + H2O - log_k -1.657 - delta_h -7.520 kcal +CdSO4:H2O 330 + CdSO4:H2O = Cd+2 + SO4-2 + H2O + log_k -1.657 + delta_h -7.52 kcal -CdSO4:2.7H2O 331 - CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67H2O - log_k -1.873 +CdSO4:2.7H2O 331 + CdSO4:2.67H2O = Cd+2 + SO4-2 + 2.67 H2O + log_k -1.873 delta_h -4.3 kcal -Greenockite 332 - CdS + H+ = Cd+2 + HS- - log_k -15.930 - delta_h 16.360 kcal +Greenockite 332 + CdS + H+ = Cd+2 + HS- + log_k -15.93 + delta_h 16.36 kcal -JarositeH 337 - (H3O)Fe3(SO4)2(OH)6 + 5H+ = 3Fe+3 + 2SO4-2 + 7H2O - log_k -5.390 - delta_h -55.150 kcal +JarositeH 337 + (H3O)Fe3(SO4)2(OH)6 + 5 H+ = 3 Fe+3 + 2 SO4-2 + 7 H2O + log_k -5.39 + delta_h -55.15 kcal -AlumK 338 - KAl(SO4)2:12H2O = K+ + Al+3 + 2SO4-2 + 12H2O - log_k -5.170 - delta_h 7.220 kcal +AlumK 338 + KAl(SO4)2:12H2O = K+ + Al+3 + 2 SO4-2 + 12 H2O + log_k -5.17 + delta_h 7.22 kcal -Melanterite 339 - FeSO4:7H2O = Fe+2 + SO4-2 + 7H2O - log_k -2.209 +Melanterite 339 + FeSO4:7H2O = Fe+2 + SO4-2 + 7 H2O + log_k -2.209 delta_h 4.91 kcal - -analytical 1.447 -0.004153 0.0 0.0 -214949.0 + -analytical 1.447 -0.004153 0 0 -214949 -Epsomite 340 - MgSO4:7H2O = Mg+2 + SO4-2 + 7H2O - log_k -2.140 - delta_h 2.820 kcal +Epsomite 340 + MgSO4:7H2O = Mg+2 + SO4-2 + 7 H2O + log_k -2.14 + delta_h 2.82 kcal -PbMetal 360 - Pb = Pb+2 + 2e- - log_k 4.270 +PbMetal 360 + Pb = Pb+2 + 2 e- + log_k 4.27 delta_h 0.4 kcal -Pb(BO2)2 361 - Pb(BO2)2 + 2H2O + 2H+ = Pb+2 + 2H3BO3 - log_k 7.610 +Pb(BO2)2 361 + Pb(BO2)2 + 2 H2O + 2 H+ = Pb+2 + 2 H3BO3 + log_k 7.61 delta_h -5.8 kcal -Cotunnite 362 - PbCl2 = Pb+2 + 2Cl- - log_k -4.770 +Cotunnite 362 + PbCl2 = Pb+2 + 2 Cl- + log_k -4.77 delta_h 5.6 kcal -Matlockite 363 - PbClF = Pb+2 + Cl- + F- - log_k -9.430 - delta_h 7.950 kcal +Matlockite 363 + PbClF = Pb+2 + Cl- + F- + log_k -9.43 + delta_h 7.95 kcal -Phosgenite 364 - PbCl2:PbCO3 = 2Pb+2 + 2Cl- + CO3-2 - log_k -19.810 +Phosgenite 364 + PbCl2:PbCO3 = 2 Pb+2 + 2 Cl- + CO3-2 + log_k -19.81 -Cerussite 365 - PbCO3 = Pb+2 + CO3-2 - log_k -13.13 +Cerussite 365 + PbCO3 = Pb+2 + CO3-2 + log_k -13.13 delta_h 4.86 kcal -PbF2 366 - PbF2 = Pb+2 + 2F- - log_k -7.440 +PbF2 366 + PbF2 = Pb+2 + 2 F- + log_k -7.44 delta_h -0.7 kcal -Massicot 367 - PbO + 2H+ = Pb+2 + H2O - log_k 12.910 - delta_h -16.780 kcal - -Litharge 368 - PbO + 2H+ = Pb+2 + H2O - log_k 12.720 - delta_h -16.380 kcal - -PbO:0.3H2O 369 - PbO:0.33H2O + 2H+ = Pb+2 + 1.33H2O - log_k 12.980 - -Pb2OCO3 370 - PbO:PbCO3 + 2H+ = 2Pb+2 + CO3-2 + H2O - log_k -0.5 - delta_h -11.460 kcal - -Larnakite 371 - PbO:PbSO4 + 2H+ = 2Pb+2 + SO4-2 + H2O - log_k -0.280 - delta_h -6.440 kcal - -Pb3O2SO4 372 - PbSO4:2PbO + 4H+ = 3Pb+2 + SO4-2 + 2H2O - log_k 10.4 - delta_h -20.750 kcal - -Pb4O3SO4 373 - PbSO4:3PbO + 6H+ = 4Pb+2 + SO4-2 + 3H2O - log_k 22.1 - delta_h -35.070 kcal - -PbHPO4 374 - PbHPO4 = Pb+2 + HPO4-2 - log_k -11.460 - delta_h 7.040 kcal - -Pb3(PO4)2 375 - Pb3(PO4)2 + 2H+ = 3Pb+2 + 2HPO4-2 - log_k -19.670 - delta_h -1.670 kcal - -Clpyromorphite 376 - Pb5(PO4)3Cl = 5Pb+2 + 3PO4-3 + Cl- - log_k -84.430 - -Hxypyromorphite 377 - Pb5(PO4)3OH + H+ = 5Pb+2 + 3PO4-3 + H2O - log_k -62.790 - -Pb3O2CO3 378 - PbCO3:2PbO + 4H+ = 3Pb+2 + CO3-2 + 2H2O - log_k 11.020 - delta_h -26.430 kcal - -Plumbogummite 379 - PbAl3(PO4)2(OH)5:H2O + 5H+ = Pb+2 + 3Al+3 + 2PO4-3 + 6H2O - log_k -32.790 - -Hinsdalite 380 - PbAl3PO4SO4(OH)6 + 6H+ = Pb+2 + 3Al+3 + PO4-3 + SO4-2 + 6H2O - log_k -2.5 - -Tsumebite 381 - Pb2CuPO4(OH)3:3H2O + 3H+ = 2Pb+2 + Cu+2 + PO4-3 + 6H2O - log_k -9.790 - -PbSiO3 382 - PbSiO3 + H2O + 2H+ = Pb+2 + H4SiO4 - log_k 7.320 - delta_h -9.260 kcal - -Pb2SiO4 383 - Pb2SiO4 + 4H+ = 2Pb+2 + H4SiO4 - log_k 19.760 - delta_h -26.0 kcal - -Anglesite 384 - PbSO4 = Pb+2 + SO4-2 - log_k -7.79 +Massicot 367 + PbO + 2 H+ = Pb+2 + H2O + log_k 12.91 + delta_h -16.78 kcal + +Litharge 368 + PbO + 2 H+ = Pb+2 + H2O + log_k 12.72 + delta_h -16.38 kcal + +PbO:0.3H2O 369 + PbO:0.33H2O + 2 H+ = Pb+2 + 1.33 H2O + log_k 12.98 + +Pb2OCO3 370 + PbO:PbCO3 + 2 H+ = 2 Pb+2 + CO3-2 + H2O + log_k -0.5 + delta_h -11.46 kcal + +Larnakite 371 + PbO:PbSO4 + 2 H+ = 2 Pb+2 + SO4-2 + H2O + log_k -0.28 + delta_h -6.44 kcal + +Pb3O2SO4 372 + PbSO4:2PbO + 4 H+ = 3 Pb+2 + SO4-2 + 2 H2O + log_k 10.4 + delta_h -20.75 kcal + +Pb4O3SO4 373 + PbSO4:3PbO + 6 H+ = 4 Pb+2 + SO4-2 + 3 H2O + log_k 22.1 + delta_h -35.07 kcal + +PbHPO4 374 + PbHPO4 = Pb+2 + HPO4-2 + log_k -11.46 + delta_h 7.04 kcal + +Pb3(PO4)2 375 + Pb3(PO4)2 + 2 H+ = 3 Pb+2 + 2 HPO4-2 + log_k -19.67 + delta_h -1.67 kcal + +Clpyromorphite 376 + Pb5(PO4)3Cl = 5 Pb+2 + 3 PO4-3 + Cl- + log_k -84.43 + +Hxypyromorphite 377 + Pb5(PO4)3OH + H+ = 5 Pb+2 + 3 PO4-3 + H2O + log_k -62.79 + +Pb3O2CO3 378 + PbCO3:2PbO + 4 H+ = 3 Pb+2 + CO3-2 + 2 H2O + log_k 11.02 + delta_h -26.43 kcal + +Plumbogummite 379 + PbAl3(PO4)2(OH)5:H2O + 5 H+ = Pb+2 + 3 Al+3 + 2 PO4-3 + 6 H2O + log_k -32.79 + +Hinsdalite 380 + PbAl3PO4SO4(OH)6 + 6 H+ = Pb+2 + 3 Al+3 + PO4-3 + SO4-2 + 6 H2O + log_k -2.5 + +Tsumebite 381 + Pb2CuPO4(OH)3:3H2O + 3 H+ = 2 Pb+2 + Cu+2 + PO4-3 + 6 H2O + log_k -9.79 + +PbSiO3 382 + PbSiO3 + H2O + 2 H+ = Pb+2 + H4SiO4 + log_k 7.32 + delta_h -9.26 kcal + +Pb2SiO4 383 + Pb2SiO4 + 4 H+ = 2 Pb+2 + H4SiO4 + log_k 19.76 + delta_h -26 kcal + +Anglesite 384 + PbSO4 = Pb+2 + SO4-2 + log_k -7.79 delta_h 2.15 kcal -Galena 385 - PbS + H+ = Pb+2 + HS- - log_k -12.780 +Galena 385 + PbS + H+ = Pb+2 + HS- + log_k -12.78 delta_h 19.4 kcal -Plattnerite 386 - PbO2 + 4H+ + 2e- = Pb+2 + 2H2O - log_k 49.3 - delta_h -70.730 kcal +Plattnerite 386 + PbO2 + 4 H+ + 2 e- = Pb+2 + 2 H2O + log_k 49.3 + delta_h -70.73 kcal -Pb2O3 387 - Pb2O3 + 6H+ + 2e- = 2Pb+2 + 3H2O - log_k 61.040 +Pb2O3 387 + Pb2O3 + 6 H+ + 2 e- = 2 Pb+2 + 3 H2O + log_k 61.04 -Minium 388 - Pb3O4 + 8H+ + 2e- = 3Pb+2 + 4H2O - log_k 73.690 - delta_h -102.760 kcal +Minium 388 + Pb3O4 + 8 H+ + 2 e- = 3 Pb+2 + 4 H2O + log_k 73.69 + delta_h -102.76 kcal -Pb(OH)2 389 - Pb(OH)2 + 2H+ = Pb+2 + 2H2O - log_k 8.15 +Pb(OH)2 389 + Pb(OH)2 + 2 H+ = Pb+2 + 2 H2O + log_k 8.15 delta_h -13.99 kcal -Laurionite 390 - PbOHCl + H+ = Pb+2 + Cl- + H2O - log_k 0.623 +Laurionite 390 + PbOHCl + H+ = Pb+2 + Cl- + H2O + log_k 0.623 -Pb2(OH)3Cl 391 - Pb2(OH)3Cl + 3H+ = 2Pb+2 + 3H2O + Cl- - log_k 8.793 +Pb2(OH)3Cl 391 + Pb2(OH)3Cl + 3 H+ = 2 Pb+2 + 3 H2O + Cl- + log_k 8.793 -Hydrocerussite 392 - Pb(OH)2:2PbCO3 + 2H+ = 3Pb+2 + 2CO3-2 + 2H2O - log_k -17.460 +Hydrocerussite 392 + Pb(OH)2:2PbCO3 + 2 H+ = 3 Pb+2 + 2 CO3-2 + 2 H2O + log_k -17.46 -Pb2O(OH)2 393 - PbO:Pb(OH)2 + 4H+ = 2Pb+2 + 3H2O - log_k 26.2 +Pb2O(OH)2 393 + PbO:Pb(OH)2 + 4 H+ = 2 Pb+2 + 3 H2O + log_k 26.2 -Pb4(OH)6SO4 394 - Pb4(OH)6SO4 + 6H+ = 4Pb+2 + SO4-2 + 6H2O - log_k 21.1 +Pb4(OH)6SO4 394 + Pb4(OH)6SO4 + 6 H+ = 4 Pb+2 + SO4-2 + 6 H2O + log_k 21.1 -SiO2(a) 395 - SiO2 + 2H2O = H4SiO4 - log_k -2.71 +SiO2(a) 395 + SiO2 + 2 H2O = H4SiO4 + log_k -2.71 delta_h 3.34 kcal - -analytical -0.26 0.0 -731.0 0.0 0.0 - -FCO3Apatite 396 - Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316Ca+2 + 0.36Na+ + 0.144Mg+2 + 4.8PO4-3 + 1.2CO3-2 + 2.48F- - log_k -114.4 - delta_h 39.390 kcal - -BaF2 398 - BaF2 = Ba+2 + 2F- - log_k -5.760 - delta_h 1.0 kcal - -SrF2 399 - SrF2 = Sr+2 + 2F- - log_k -8.540 - delta_h 1.250 kcal - -Dolomite 401 - CaMg(CO3)2 = Ca+2 + Mg+2 + 2CO3-2 - log_k -17.09 + -analytical -0.26 0 -731 0 0 + +FCO3Apatite 396 + Ca9.316Na0.36Mg0.144(PO4)4.8(CO3)1.2F2.48 = 9.316 Ca+2 + 0.36 Na+ + 0.144 Mg+2 + 4.8 PO4-3 + 1.2 CO3-2 + 2.48 F- + log_k -114.4 + delta_h 39.39 kcal + +BaF2 398 + BaF2 = Ba+2 + 2 F- + log_k -5.76 + delta_h 1 kcal + +SrF2 399 + SrF2 = Sr+2 + 2 F- + log_k -8.54 + delta_h 1.25 kcal + +Dolomite 401 + CaMg(CO3)2 = Ca+2 + Mg+2 + 2 CO3-2 + log_k -17.09 delta_h -9.436 kcal -Sulfur 402 - S + 2e- = S-2 - log_k -15.026 +Sulfur 402 + S + 2 e- = S-2 + log_k -15.026 delta_h 7.9 kcal -NiCO3 410 - NiCO3 = Ni+2 + CO3-2 - log_k -6.840 - delta_h -9.940 kcal +NiCO3 410 + NiCO3 = Ni+2 + CO3-2 + log_k -6.84 + delta_h -9.94 kcal -Ni(OH)2 411 - Ni(OH)2 + 2H+ = Ni+2 + 2H2O - log_k 10.8 - delta_h 30.450 kcal +Ni(OH)2 411 + Ni(OH)2 + 2 H+ = Ni+2 + 2 H2O + log_k 10.8 + delta_h 30.45 kcal -Ni4(OH)6SO4 412 - Ni4(OH)6SO4 + 6H+ = 4Ni+2 + SO4-2 + 6H2O - log_k 32.0 +Ni4(OH)6SO4 412 + Ni4(OH)6SO4 + 6 H+ = 4 Ni+2 + SO4-2 + 6 H2O + log_k 32 -Bunsenite 413 - NiO + 2H+ = Ni+2 + H2O - log_k 12.450 - delta_h -23.920 kcal +Bunsenite 413 + NiO + 2 H+ = Ni+2 + H2O + log_k 12.45 + delta_h -23.92 kcal -Ni3(PO4)2 414 - Ni3(PO4)2 = 3Ni+2 + 2PO4-3 - log_k -31.3 +Ni3(PO4)2 414 + Ni3(PO4)2 = 3 Ni+2 + 2 PO4-3 + log_k -31.3 -Millerite 415 - NiS + H+ = Ni+2 + HS- - log_k -8.042 +Millerite 415 + NiS + H+ = Ni+2 + HS- + log_k -8.042 delta_h 2.5 kcal -Retgersite 416 - NiSO4:6H2O = Ni+2 + SO4-2 + 6H2O - log_k -2.040 +Retgersite 416 + NiSO4:6H2O = Ni+2 + SO4-2 + 6 H2O + log_k -2.04 delta_h 1.1 kcal -Morenosite 417 - NiSO4:7H2O = Ni+2 + SO4-2 + 7H2O - log_k -2.360 - delta_h 2.940 kcal +Morenosite 417 + NiSO4:7H2O = Ni+2 + SO4-2 + 7 H2O + log_k -2.36 + delta_h 2.94 kcal -Ni2SiO4 418 - Ni2SiO4 + 4H+ = 2Ni+2 + H4SiO4 - log_k 14.540 - delta_h -33.360 kcal +Ni2SiO4 418 + Ni2SiO4 + 4 H+ = 2 Ni+2 + H4SiO4 + log_k 14.54 + delta_h -33.36 kcal -Fe3(OH)8 419 - Fe3(OH)8 + 8H+ = 2Fe+3 + Fe+2 + 8H2O - log_k 20.222 +Fe3(OH)8 419 + Fe3(OH)8 + 8 H+ = 2 Fe+3 + Fe+2 + 8 H2O + log_k 20.222 -Dioptase 420 - CuSiO3:H2O + 2H+ = Cu+2 + H4SiO4 - log_k 6.5 - delta_h -8.960 kcal +Dioptase 420 + CuSiO3:H2O + 2 H+ = Cu+2 + H4SiO4 + log_k 6.5 + delta_h -8.96 kcal -AgMetal 437 - Ag = Ag+ + e- - log_k -13.510 +AgMetal 437 + Ag = Ag+ + e- + log_k -13.51 delta_h 25.234 kcal -Bromyrite 438 - AgBr = Ag+ + Br- - log_k -12.270 - delta_h 20.170 kcal +Bromyrite 438 + AgBr = Ag+ + Br- + log_k -12.27 + delta_h 20.17 kcal -Cerargyrite 439 - AgCl = Ag+ + Cl- - log_k -9.750 +Cerargyrite 439 + AgCl = Ag+ + Cl- + log_k -9.75 delta_h 15.652 kcal -Ag2CO3 440 - Ag2CO3 = 2Ag+ + CO3-2 - log_k -11.070 - delta_h 9.530 kcal - -AgF:4H2O 441 - AgF:4H2O = Ag+ + F- + 4H2O - log_k 0.550 - delta_h 4.270 kcal - -Iodyrite 442 - AgI = Ag+ + I- - log_k -16.070 - delta_h 26.820 kcal - -Ag2O 443 - Ag2O + 2H+ = 2Ag+ + H2O - log_k 12.580 - delta_h -10.430 kcal - -Ag3PO4 444 - Ag3PO4 = 3Ag+ + PO4-3 - log_k -17.550 - -Acanthite 445 - Ag2S + H+ = 2Ag+ + HS- - log_k -36.050 +Ag2CO3 440 + Ag2CO3 = 2 Ag+ + CO3-2 + log_k -11.07 + delta_h 9.53 kcal + +AgF:4H2O 441 + AgF:4H2O = Ag+ + F- + 4 H2O + log_k 0.55 + delta_h 4.27 kcal + +Iodyrite 442 + AgI = Ag+ + I- + log_k -16.07 + delta_h 26.82 kcal + +Ag2O 443 + Ag2O + 2 H+ = 2 Ag+ + H2O + log_k 12.58 + delta_h -10.43 kcal + +Ag3PO4 444 + Ag3PO4 = 3 Ag+ + PO4-3 + log_k -17.55 + +Acanthite 445 + Ag2S + H+ = 2 Ag+ + HS- + log_k -36.05 delta_h 53.3 kcal -Ag2SO4 446 - Ag2SO4 = 2Ag+ + SO4-2 - log_k -4.920 - delta_h 4.250 kcal - -CuBr 459 - CuBr = Cu+ + Br- - log_k -8.210 - delta_h 13.080 kcal - -CuI 460 - CuI = Cu+ + I- - log_k -11.890 - delta_h 20.140 kcal - -ZnBr2:2H2O 461 - ZnBr2:2H2O = Zn+2 + 2Br- + 2H2O - log_k 5.210 - delta_h -7.510 kcal - -ZnI2 462 - ZnI2 = Zn+2 + 2I- - log_k 7.230 - delta_h -13.440 kcal - -CdBr2:4H2O 463 - CdBr2:4H2O = Cd+2 + 2Br- + 4H2O - log_k -2.420 - delta_h 7.230 kcal - -CdI2 464 - CdI2 = Cd+2 + 2I- - log_k -3.610 - delta_h 4.080 kcal - -PbBr2 465 - PbBr2 = Pb+2 + 2Br- - log_k -5.180 +Ag2SO4 446 + Ag2SO4 = 2 Ag+ + SO4-2 + log_k -4.92 + delta_h 4.25 kcal + +CuBr 459 + CuBr = Cu+ + Br- + log_k -8.21 + delta_h 13.08 kcal + +CuI 460 + CuI = Cu+ + I- + log_k -11.89 + delta_h 20.14 kcal + +ZnBr2:2H2O 461 + ZnBr2:2H2O = Zn+2 + 2 Br- + 2 H2O + log_k 5.21 + delta_h -7.51 kcal + +ZnI2 462 + ZnI2 = Zn+2 + 2 I- + log_k 7.23 + delta_h -13.44 kcal + +CdBr2:4H2O 463 + CdBr2:4H2O = Cd+2 + 2 Br- + 4 H2O + log_k -2.42 + delta_h 7.23 kcal + +CdI2 464 + CdI2 = Cd+2 + 2 I- + log_k -3.61 + delta_h 4.08 kcal + +PbBr2 465 + PbBr2 = Pb+2 + 2 Br- + log_k -5.18 delta_h 8.1 kcal -PbBrF 466 - PbBrF = Pb+2 + Br- + F- - log_k -8.490 +PbBrF 466 + PbBrF = Pb+2 + Br- + F- + log_k -8.49 -PbI2 467 - PbI2 = Pb+2 + 2I- - log_k -8.070 - delta_h 15.160 kcal +PbI2 467 + PbI2 = Pb+2 + 2 I- + log_k -8.07 + delta_h 15.16 kcal -Jurbanite 471 - AlOHSO4 + H+ = Al+3 + SO4-2 + H2O - log_k -3.230 +Jurbanite 471 + AlOHSO4 + H+ = Al+3 + SO4-2 + H2O + log_k -3.23 -Basaluminite 472 - Al4(OH)10SO4 + 10H+ = 4Al+3 + SO4-2 + 10H2O - log_k 22.7 +Basaluminite 472 + Al4(OH)10SO4 + 10 H+ = 4 Al+3 + SO4-2 + 10 H2O + log_k 22.7 -As_native 557 - As + 3H2O = H3AsO3 + 3H+ + 3e- - log_k -12.532 - delta_h 115.131 kJ +As_native 557 + As + 3 H2O = H3AsO3 + 3 H+ + 3 e- + log_k -12.532 + delta_h 115.131 kJ -As2O5(cr) 488 - As2O5 + 3H2O = 2H3AsO4 - log_k 8.228 - delta_h -31.619 kJ +As2O5(cr) 488 + As2O5 + 3 H2O = 2 H3AsO4 + log_k 8.228 + delta_h -31.619 kJ -AlAsO4:2H2O 489 - AlAsO4:2H2O = Al+3 + AsO4-3 + 2H2O - log_k -15.837 +AlAsO4:2H2O 489 + AlAsO4:2H2O = Al+3 + AsO4-3 + 2 H2O + log_k -15.837 -Ca3(AsO4)2:4w 490 - Ca3(AsO4)2:4H2O = 3Ca+2 + 2AsO4-3 + 4H2O - log_k -18.905 +Ca3(AsO4)2:4w 490 + Ca3(AsO4)2:4H2O = 3 Ca+2 + 2 AsO4-3 + 4 H2O + log_k -18.905 -Cu3(AsO4)2:6w 491 - Cu3(AsO4)2:6H2O = 3Cu+2 + 2AsO4-3 + 6H2O - log_k -35.123 +Cu3(AsO4)2:6w 491 + Cu3(AsO4)2:6H2O = 3 Cu+2 + 2 AsO4-3 + 6 H2O + log_k -35.123 -Scorodite 492 - FeAsO4:2H2O = Fe+3 + AsO4-3 + 2H2O - log_k -20.249 +Scorodite 492 + FeAsO4:2H2O = Fe+3 + AsO4-3 + 2 H2O + log_k -20.249 -Mn3(AsO4)2:8H2O 493 - Mn3(AsO4)2:8H2O = 3Mn+2 + 2AsO4-3 + 8H2O - log_k -28.707 +Mn3(AsO4)2:8H2O 493 + Mn3(AsO4)2:8H2O = 3 Mn+2 + 2 AsO4-3 + 8 H2O + log_k -28.707 -Ni3(AsO4)2:8H2O 494 - Ni3(AsO4)2:8H2O = 3Ni+2 + 2AsO4-3 + 8H2O - log_k -25.511 +Ni3(AsO4)2:8H2O 494 + Ni3(AsO4)2:8H2O = 3 Ni+2 + 2 AsO4-3 + 8 H2O + log_k -25.511 -Pb3(AsO4)2 495 - Pb3(AsO4)2 = 3Pb+2 + 2AsO4-3 - log_k -35.403 +Pb3(AsO4)2 495 + Pb3(AsO4)2 = 3 Pb+2 + 2 AsO4-3 + log_k -35.403 -Zn3(AsO4)2:2.5w 496 - Zn3(AsO4)2:2.5H2O = 3Zn+2 + 2AsO4-3 + 2.5H2O - log_k -27.546 +Zn3(AsO4)2:2.5w 496 + Zn3(AsO4)2:2.5H2O = 3 Zn+2 + 2 AsO4-3 + 2.5 H2O + log_k -27.546 -Arsenolite 497 -# As4O6 + 6H2O = 4H3AsO3 +Arsenolite 497 +# As4O6 + 6H2O = 4H3AsO3 # log_k -2.801 # delta_h 14.330 kcal - As2O3 + 3H2O = 2H3AsO3 - log_k -1.38 - delta_h 30.041 kJ + As2O3 + 3 H2O = 2 H3AsO3 + log_k -1.38 + delta_h 30.041 kJ -Claudetite 498 -# As4O6 + 6H2O = 4H3AsO3 +Claudetite 498 +# As4O6 + 6H2O = 4H3AsO3 # log_k -3.065 # delta_h 13.290 kcal - As2O3 + 3H2O = 2H3AsO3 - log_k -1.34 - delta_h 28.443 kJ + As2O3 + 3 H2O = 2 H3AsO3 + log_k -1.34 + delta_h 28.443 kJ -AsI3 499 - AsI3 + 3H2O = H3AsO3 + 3I- + 3H+ - log_k 4.155 +AsI3 499 + AsI3 + 3 H2O = H3AsO3 + 3 I- + 3 H+ + log_k 4.155 delta_h 1.875 kcal -Orpiment 500 - As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+ +Orpiment 500 + As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+ # log_k -60.971 # delta_h 82.890 kcal - log_k -46.3 - delta_h 263.1 kJ + log_k -46.3 + delta_h 263.1 kJ -As2S3(am) 132 - As2S3 + 6H2O = 2H3AsO3 + 3HS- + 3H+ - log_k -44.9 - delta_h 244.2 kJ +As2S3(am) 132 + As2S3 + 6 H2O = 2 H3AsO3 + 3 HS- + 3 H+ + log_k -44.9 + delta_h 244.2 kJ -Realgar 501 - AsS + 3H2O = H3AsO3 + HS- + 2H+ + e- +Realgar 501 + AsS + 3 H2O = H3AsO3 + HS- + 2 H+ + e- # log_k -19.747 # delta_h 30.545 kcal - log_k -19.944 - delta_h 129.2625 kJ + log_k -19.944 + delta_h 129.2625 kJ -BlaubleiI 533 - Cu0.9Cu0.2S + H+ = 0.9Cu+2 + 0.2Cu+ + HS- - log_k -24.162 +BlaubleiI 533 + Cu0.9Cu0.2S + H+ = 0.9 Cu+2 + 0.2 Cu+ + HS- + log_k -24.162 -BlaubleiII 534 - Cu0.6Cu0.8S + H+ = 0.6Cu+2 + 0.8Cu+ + HS- - log_k -27.279 +BlaubleiII 534 + Cu0.6Cu0.8S + H+ = 0.6 Cu+2 + 0.8 Cu+ + HS- + log_k -27.279 -Anilite 535 - Cu0.25Cu1.5S + H+ = 0.25Cu+2 + 1.5Cu+ + HS- - log_k -31.878 +Anilite 535 + Cu0.25Cu1.5S + H+ = 0.25 Cu+2 + 1.5 Cu+ + HS- + log_k -31.878 delta_h 43.535 kcal -Djurleite 536 - Cu0.066Cu1.868S + H+ = 0.066Cu+2 + 1.868Cu+ + HS- - log_k -33.920 +Djurleite 536 + Cu0.066Cu1.868S + H+ = 0.066 Cu+2 + 1.868 Cu+ + HS- + log_k -33.92 delta_h 47.881 kcal -Portlandite 539 - Ca(OH)2 + 2H+ = Ca+2 + 2H2O - log_k 22.8 - delta_h -31.0 kcal +Portlandite 539 + Ca(OH)2 + 2 H+ = Ca+2 + 2 H2O + log_k 22.8 + delta_h -31 kcal -Ba3(AsO4)2 541 - Ba3(AsO4)2 = 3Ba+2 + 2AsO4-3 - log_k -50.110 +Ba3(AsO4)2 541 + Ba3(AsO4)2 = 3 Ba+2 + 2 AsO4-3 + log_k -50.11 delta_h 9.5 kcal -Se(s) 550 - Se + H+ + 2e- = HSe- - log_k -17.322 +Se(s) 550 + Se + H+ + 2 e- = HSe- + log_k -17.322 #SemetalSe4 551 -# Se + 3H2O = SeO3-2 + 6H+ + 4e- +# Se + 3H2O = SeO3-2 + 6H+ + 4e- # log_k -59.836 -FeSe2 552 - FeSe2 + 2H+ + 2e- = Fe+2 + 2HSe- - log_k -18.580 +FeSe2 552 + FeSe2 + 2 H+ + 2 e- = Fe+2 + 2 HSe- + log_k -18.58 -SeO2 553 - SeO2 + H2O = SeO3-2 + 2H+ - log_k -8.380 +SeO2 553 + SeO2 + H2O = SeO3-2 + 2 H+ + log_k -8.38 -CaSeO3 554 - CaSeO3 = Ca+2 + SeO3-2 - log_k -5.6 +CaSeO3 554 + CaSeO3 = Ca+2 + SeO3-2 + log_k -5.6 -BaSeO3 555 - BaSeO3 = Ba+2 + SeO3-2 - log_k -6.390 +BaSeO3 555 + BaSeO3 = Ba+2 + SeO3-2 + log_k -6.39 -Fe2(SeO3)3 556 - Fe2(SeO3)3 = 2Fe+3 + 3SeO3-2 - log_k -35.430 +Fe2(SeO3)3 556 + Fe2(SeO3)3 = 2 Fe+3 + 3 SeO3-2 + log_k -35.43 -Rhodochrosite 564 - MnCO3 = Mn+2 + CO3-2 - log_k -11.13 +Rhodochrosite 564 + MnCO3 = Mn+2 + CO3-2 + log_k -11.13 delta_h -1.43 kcal -Na4UO2(CO3)3 571 - Na4UO2(CO3)3 = 4Na+ + UO2+2 + 3CO3-2 - log_k -16.290 +Na4UO2(CO3)3 571 + Na4UO2(CO3)3 = 4 Na+ + UO2+2 + 3 CO3-2 + log_k -16.29 -Uraninite(c) 573 - UO2 + 4H+ = U+4 + 2H2O - log_k -4.8 - delta_h -18.610 kcal +Uraninite(c) 573 + UO2 + 4 H+ = U+4 + 2 H2O + log_k -4.8 + delta_h -18.61 kcal -UO2(a) 574 - UO2 + 4H+ = U+4 + 2H2O - log_k 0.1 +UO2(a) 574 + UO2 + 4 H+ = U+4 + 2 H2O + log_k 0.1 -U4O9(c) 575 - U4O9 + 18H+ + 2e- = 4U+4 + 9H2O - log_k -3.384 +U4O9(c) 575 + U4O9 + 18 H+ + 2 e- = 4 U+4 + 9 H2O + log_k -3.384 delta_h -101.235 kcal -U3O8(c) 576 - U3O8 + 16H+ + 4e- = 3U+4 + 8H2O - log_k 20.530 - delta_h -116.0 kcal +U3O8(c) 576 + U3O8 + 16 H+ + 4 e- = 3 U+4 + 8 H2O + log_k 20.53 + delta_h -116 kcal -Coffinite 577 - USiO4 + 4H+ = U+4 + H4SiO4 - log_k -7.670 +Coffinite 577 + USiO4 + 4 H+ = U+4 + H4SiO4 + log_k -7.67 delta_h -11.6 kcal -UF4(c) 584 - UF4 = U+4 + 4F- - log_k -18.606 +UF4(c) 584 + UF4 = U+4 + 4 F- + log_k -18.606 delta_h -18.9 kcal -UF4:2.5H2O 585 - UF4:2.5H2O = U+4 + 4F- + 2.5H2O - log_k -27.570 +UF4:2.5H2O 585 + UF4:2.5H2O = U+4 + 4 F- + 2.5 H2O + log_k -27.57 delta_h -0.588 kcal -U(OH)2SO4 591 - U(OH)2SO4 + 2H+ = U+4 + SO4-2 + 2H2O - log_k -3.2 +U(OH)2SO4 591 + U(OH)2SO4 + 2 H+ = U+4 + SO4-2 + 2 H2O + log_k -3.2 -UO2HPO4:4H2O 592 - UO2HPO4:4H2O = UO2+2 + HPO4-2 + 4H2O - log_k -11.850 +UO2HPO4:4H2O 592 + UO2HPO4:4H2O = UO2+2 + HPO4-2 + 4 H2O + log_k -11.85 -U(HPO4)2:4H2O 593 - U(HPO4)2:4H2O = U+4 + 2PO4-3 + 2H+ + 4H2O - log_k -55.3 - delta_h 3.840 kcal +U(HPO4)2:4H2O 593 + U(HPO4)2:4H2O = U+4 + 2 PO4-3 + 2 H+ + 4 H2O + log_k -55.3 + delta_h 3.84 kcal -Ningyoite 594 - CaU(PO4)2:2H2O = U+4 + Ca+2 + 2PO4-3 + 2H2O - log_k -53.906 - delta_h -2.270 kcal +Ningyoite 594 + CaU(PO4)2:2H2O = U+4 + Ca+2 + 2 PO4-3 + 2 H2O + log_k -53.906 + delta_h -2.27 kcal -UO3(gamma) 599 - UO3 + 2H+ = UO2+2 + H2O - log_k 7.719 +UO3(gamma) 599 + UO3 + 2 H+ = UO2+2 + H2O + log_k 7.719 delta_h -19.315 kcal -Gummite 600 - UO3 + 2H+ = UO2+2 + H2O - log_k 10.403 +Gummite 600 + UO3 + 2 H+ = UO2+2 + H2O + log_k 10.403 delta_h -23.015 kcal -B-UO2(OH)2 601 - UO2(OH)2 + 2H+ = UO2+2 + 2H2O - log_k 5.544 - delta_h -13.730 kcal +B-UO2(OH)2 601 + UO2(OH)2 + 2 H+ = UO2+2 + 2 H2O + log_k 5.544 + delta_h -13.73 kcal -Schoepite 602 - UO2(OH)2:H2O + 2H+ = UO2+2 + 3H2O - log_k 5.404 +Schoepite 602 + UO2(OH)2:H2O + 2 H+ = UO2+2 + 3 H2O + log_k 5.404 delta_h -12.045 kcal -Rutherfordine 606 - UO2CO3 = UO2+2 + CO3-2 - log_k -14.450 - delta_h -1.440 kcal +Rutherfordine 606 + UO2CO3 = UO2+2 + CO3-2 + log_k -14.45 + delta_h -1.44 kcal -(UO2)3(PO4)2:4w 619 - (UO2)3(PO4)2:4H2O = 3UO2+2 + 2PO4-3 + 4H2O - log_k -37.4 +(UO2)3(PO4)2:4w 619 + (UO2)3(PO4)2:4H2O = 3 UO2+2 + 2 PO4-3 + 4 H2O + log_k -37.4 delta_h 41.5 kcal -H-Autunite 620 - H2(UO2)2(PO4)2 = 2H+ + 2UO2+2 + 2PO4-3 - log_k -47.931 +H-Autunite 620 + H2(UO2)2(PO4)2 = 2 H+ + 2 UO2+2 + 2 PO4-3 + log_k -47.931 delta_h -3.6 kcal -Na-Autunite 621 - Na2(UO2)2(PO4)2 = 2Na+ + 2UO2+2 + 2PO4-3 - log_k -47.409 - delta_h -0.460 kcal +Na-Autunite 621 + Na2(UO2)2(PO4)2 = 2 Na+ + 2 UO2+2 + 2 PO4-3 + log_k -47.409 + delta_h -0.46 kcal -K-Autunite 622 - K2(UO2)2(PO4)2 = 2K+ + 2UO2+2 + 2PO4-3 - log_k -48.244 - delta_h 5.860 kcal +K-Autunite 622 + K2(UO2)2(PO4)2 = 2 K+ + 2 UO2+2 + 2 PO4-3 + log_k -48.244 + delta_h 5.86 kcal -Uramphite 623 - (NH4)2(UO2)2(PO4)2 = 2NH4+ + 2UO2+2 + 2PO4-3 - log_k -51.749 +Uramphite 623 + (NH4)2(UO2)2(PO4)2 = 2 NH4+ + 2 UO2+2 + 2 PO4-3 + log_k -51.749 delta_h 9.7 kcal -Saleeite 624 - Mg(UO2)2(PO4)2 = Mg+2 + 2UO2+2 + 2PO4-3 - log_k -43.646 - delta_h -20.180 kcal +Saleeite 624 + Mg(UO2)2(PO4)2 = Mg+2 + 2 UO2+2 + 2 PO4-3 + log_k -43.646 + delta_h -20.18 kcal -Autunite 625 - Ca(UO2)2(PO4)2 = Ca+2 + 2UO2+2 + 2PO4-3 - log_k -43.927 - delta_h -14.340 kcal +Autunite 625 + Ca(UO2)2(PO4)2 = Ca+2 + 2 UO2+2 + 2 PO4-3 + log_k -43.927 + delta_h -14.34 kcal -Sr-Autunite 626 - Sr(UO2)2(PO4)2 = Sr+2 + 2UO2+2 + 2PO4-3 - log_k -44.457 - delta_h -13.050 kcal +Sr-Autunite 626 + Sr(UO2)2(PO4)2 = Sr+2 + 2 UO2+2 + 2 PO4-3 + log_k -44.457 + delta_h -13.05 kcal -Uranocircite 627 - Ba(UO2)2(PO4)2 = Ba+2 + 2UO2+2 + 2PO4-3 - log_k -44.631 +Uranocircite 627 + Ba(UO2)2(PO4)2 = Ba+2 + 2 UO2+2 + 2 PO4-3 + log_k -44.631 delta_h -10.1 kcal -Bassetite 628 - Fe(UO2)2(PO4)2 = Fe+2 + 2UO2+2 + 2PO4-3 - log_k -44.485 +Bassetite 628 + Fe(UO2)2(PO4)2 = Fe+2 + 2 UO2+2 + 2 PO4-3 + log_k -44.485 delta_h -19.9 kcal -Torbernite 629 - Cu(UO2)2(PO4)2 = Cu+2 + 2UO2+2 + 2PO4-3 - log_k -45.279 +Torbernite 629 + Cu(UO2)2(PO4)2 = Cu+2 + 2 UO2+2 + 2 PO4-3 + log_k -45.279 delta_h -15.9 kcal -Przhevalskite 630 - Pb(UO2)2(PO4)2 = Pb+2 + 2UO2+2 + 2PO4-3 - log_k -44.365 - delta_h -11.0 kcal +Przhevalskite 630 + Pb(UO2)2(PO4)2 = Pb+2 + 2 UO2+2 + 2 PO4-3 + log_k -44.365 + delta_h -11 kcal -Uranophane 632 - Ca(UO2)2(SiO3OH)2 + 6H+ = Ca+2 + 2UO2+2 + 2H4SiO4 - log_k 17.489 +Uranophane 632 + Ca(UO2)2(SiO3OH)2 + 6 H+ = Ca+2 + 2 UO2+2 + 2 H4SiO4 + log_k 17.489 -CO2(g) - CO2 = CO2 - log_k -1.468 +CO2(g) + CO2 = CO2 + log_k -1.468 delta_h -4.776 kcal - -analytical 108.3865 0.01985076 -6919.53 -40.45154 669365.0 + -analytical 108.3865 0.01985076 -6919.53 -40.45154 669365 O2(g) - O2 = O2 + O2 = O2 # log_k -2.960 # delta_h -1.844 kcal # log K from llnl.dat Aug 23, 2005 - log_k -2.8983 - -analytic -7.5001e+000 7.8981e-003 0.0000e+000 0.0000e+000 2.0027e+005 + log_k -2.8983 + -analytic -7.5001e+0 7.8981e-3 0e+0 0e+0 2.0027e+5 H2(g) - H2 = H2 - log_k -3.150 + H2 = H2 + log_k -3.15 delta_h -1.759 kcal N2(g) - N2 = N2 - log_k -3.260 + N2 = N2 + log_k -3.26 delta_h -1.358 kcal H2S(g) - H2S = H2S - log_k -0.997 - delta_h -4.570 kcal + H2S = H2S + log_k -0.997 + delta_h -4.57 kcal CH4(g) - CH4 = CH4 - log_k -2.860 + CH4 = CH4 + log_k -2.86 delta_h -3.373 kcal NH3(g) - NH3 = NH3 - log_k 1.770 - delta_h -8.170 kcal + NH3 = NH3 + log_k 1.77 + delta_h -8.17 kcal EXCHANGE_MASTER_SPECIES - X X- + X X- EXCHANGE_SPECIES X- = X- - log_k 0.0 + log_k 0 Na+ + X- = NaX - log_k 0.0 + log_k 0 K+ + X- = KX - log_k 0.7 + log_k 0.7 Li+ + X- = LiX - log_k -0.08 + log_k -0.08 H+ + X- = HX - log_k 1.0 + log_k 1 NH4+ + X- = NH4X - log_k 0.6 + log_k 0.6 - Ca+2 + 2X- = CaX2 - log_k 0.8 + Ca+2 + 2 X- = CaX2 + log_k 0.8 - Mg+2 + 2X- = MgX2 - log_k 0.6 + Mg+2 + 2 X- = MgX2 + log_k 0.6 - Sr+2 + 2X- = SrX2 - log_k 0.91 + Sr+2 + 2 X- = SrX2 + log_k 0.91 - Ba+2 + 2X- = BaX2 - log_k 0.91 + Ba+2 + 2 X- = BaX2 + log_k 0.91 - Mn+2 + 2X- = MnX2 - log_k 0.52 + Mn+2 + 2 X- = MnX2 + log_k 0.52 - Fe+2 + 2X- = FeX2 - log_k 0.44 + Fe+2 + 2 X- = FeX2 + log_k 0.44 - Cu+2 + 2X- = CuX2 - log_k 0.6 + Cu+2 + 2 X- = CuX2 + log_k 0.6 - Zn+2 + 2X- = ZnX2 - log_k 0.8 + Zn+2 + 2 X- = ZnX2 + log_k 0.8 - Cd+2 + 2X- = CdX2 - log_k 0.8 + Cd+2 + 2 X- = CdX2 + log_k 0.8 - Pb+2 + 2X- = PbX2 - log_k 1.05 + Pb+2 + 2 X- = PbX2 + log_k 1.05 - Al+3 + 3X- = AlX3 - log_k 0.67 + Al+3 + 3 X- = AlX3 + log_k 0.67 SURFACE_MASTER_SPECIES - Hfo_s Hfo_sOH - Hfo_w Hfo_wOH + Hfo_s Hfo_sOH + Hfo_w Hfo_wOH SURFACE_SPECIES -# All surface data from +# All surface data from # Dzombak and Morel, 1990 # # # Acid-base data from table 5.7 # -# strong binding site--Hfo_s, +# strong binding site--Hfo_s, Hfo_sOH = Hfo_sOH - log_k 0.0 + log_k 0 - Hfo_sOH + H+ = Hfo_sOH2+ - log_k 7.29 # = pKa1,int + Hfo_sOH + H+ = Hfo_sOH2+ + log_k 7.29 # = pKa1,int Hfo_sOH = Hfo_sO- + H+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int # weak binding site--Hfo_w Hfo_wOH = Hfo_wOH - log_k 0.0 + log_k 0 - Hfo_wOH + H+ = Hfo_wOH2+ - log_k 7.29 # = pKa1,int + Hfo_wOH + H+ = Hfo_wOH2+ + log_k 7.29 # = pKa1,int Hfo_wOH = Hfo_wO- + H+ - log_k -8.93 # = -pKa2,int + log_k -8.93 # = -pKa2,int ############################################### # CATIONS # @@ -3552,64 +3556,64 @@ SURFACE_SPECIES # # Calcium Hfo_sOH + Ca+2 = Hfo_sOHCa+2 - log_k 4.97 + log_k 4.97 Hfo_wOH + Ca+2 = Hfo_wOCa+ + H+ log_k -5.85 # Strontium Hfo_sOH + Sr+2 = Hfo_sOHSr+2 - log_k 5.01 + log_k 5.01 Hfo_wOH + Sr+2 = Hfo_wOSr+ + H+ log_k -6.58 - Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2H+ - log_k -17.60 + Hfo_wOH + Sr+2 + H2O = Hfo_wOSrOH + 2 H+ + log_k -17.6 # Barium Hfo_sOH + Ba+2 = Hfo_sOHBa+2 - log_k 5.46 + log_k 5.46 Hfo_wOH + Ba+2 = Hfo_wOBa+ + H+ - log_k -7.2 # table 10.5 + log_k -7.2 # table 10.5 # # Cations from table 10.2 # # Silver Hfo_sOH + Ag+ = Hfo_sOAg + H+ - log_k -1.72 + log_k -1.72 Hfo_wOH + Ag+ = Hfo_wOAg + H+ - log_k -5.3 # table 10.5 + log_k -5.3 # table 10.5 # Nickel Hfo_sOH + Ni+2 = Hfo_sONi+ + H+ - log_k 0.37 + log_k 0.37 Hfo_wOH + Ni+2 = Hfo_wONi+ + H+ - log_k -2.5 # table 10.5 + log_k -2.5 # table 10.5 # Cadmium Hfo_sOH + Cd+2 = Hfo_sOCd+ + H+ - log_k 0.47 + log_k 0.47 Hfo_wOH + Cd+2 = Hfo_wOCd+ + H+ - log_k -2.91 + log_k -2.91 # Zinc Hfo_sOH + Zn+2 = Hfo_sOZn+ + H+ - log_k 0.99 + log_k 0.99 Hfo_wOH + Zn+2 = Hfo_wOZn+ + H+ - log_k -1.99 + log_k -1.99 # Copper Hfo_sOH + Cu+2 = Hfo_sOCu+ + H+ - log_k 2.89 + log_k 2.89 Hfo_wOH + Cu+2 = Hfo_wOCu+ + H+ - log_k 0.6 # table 10.5 + log_k 0.6 # table 10.5 # Lead Hfo_sOH + Pb+2 = Hfo_sOPb+ + H+ - log_k 4.65 + log_k 4.65 Hfo_wOH + Pb+2 = Hfo_wOPb+ + H+ - log_k 0.3 # table 10.5 + log_k 0.3 # table 10.5 # # Derived constants table 10.5 # @@ -3619,17 +3623,17 @@ SURFACE_SPECIES # Manganese Hfo_sOH + Mn+2 = Hfo_sOMn+ + H+ - log_k -0.4 # table 10.5 + log_k -0.4 # table 10.5 Hfo_wOH + Mn+2 = Hfo_wOMn+ + H+ - log_k -3.5 # table 10.5 + log_k -3.5 # table 10.5 # Uranyl Hfo_sOH + UO2+2 = Hfo_sOUO2+ + H+ - log_k 5.2 # table 10.5 + log_k 5.2 # table 10.5 Hfo_wOH + UO2+2 = Hfo_wOUO2+ + H+ - log_k 2.8 # table 10.5 + log_k 2.8 # table 10.5 # Iron # Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ @@ -3641,91 +3645,91 @@ SURFACE_SPECIES # Iron, strong site: Appelo, Van der Weiden, Tournassat & Charlet, subm. Hfo_sOH + Fe+2 = Hfo_sOFe+ + H+ - log_k -0.95 + log_k -0.95 # Iron, weak site: Liger et al., GCA 63, 2939, re-optimized for D&M Hfo_wOH + Fe+2 = Hfo_wOFe+ + H+ log_k -2.98 - Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2H+ + Hfo_wOH + Fe+2 + H2O = Hfo_wOFeOH + 2 H+ log_k -11.55 ############################################### # ANIONS # ############################################### # -# Anions from table 10.6 +# Anions from table 10.6 # # Phosphate - Hfo_wOH + PO4-3 + 3H+ = Hfo_wH2PO4 + H2O - log_k 31.29 + Hfo_wOH + PO4-3 + 3 H+ = Hfo_wH2PO4 + H2O + log_k 31.29 - Hfo_wOH + PO4-3 + 2H+ = Hfo_wHPO4- + H2O - log_k 25.39 + Hfo_wOH + PO4-3 + 2 H+ = Hfo_wHPO4- + H2O + log_k 25.39 Hfo_wOH + PO4-3 + H+ = Hfo_wPO4-2 + H2O - log_k 17.72 + log_k 17.72 # Arsenate - Hfo_wOH + AsO4-3 + 3H+ = Hfo_wH2AsO4 + H2O - log_k 29.31 + Hfo_wOH + AsO4-3 + 3 H+ = Hfo_wH2AsO4 + H2O + log_k 29.31 - Hfo_wOH + AsO4-3 + 2H+ = Hfo_wHAsO4- + H2O - log_k 23.51 + Hfo_wOH + AsO4-3 + 2 H+ = Hfo_wHAsO4- + H2O + log_k 23.51 Hfo_wOH + AsO4-3 = Hfo_wOHAsO4-3 - log_k 10.58 + log_k 10.58 # # Anions from table 10.7 # # Arsenite Hfo_wOH + H3AsO3 = Hfo_wH2AsO3 + H2O - log_k 5.41 + log_k 5.41 # Borate Hfo_wOH + H3BO3 = Hfo_wH2BO3 + H2O - log_k 0.62 + log_k 0.62 # # Anions from table 10.8 # # Sulfate Hfo_wOH + SO4-2 + H+ = Hfo_wSO4- + H2O - log_k 7.78 + log_k 7.78 Hfo_wOH + SO4-2 = Hfo_wOHSO4-2 - log_k 0.79 + log_k 0.79 # Selenate Hfo_wOH + SeO4-2 + H+ = Hfo_wSeO4- + H2O - log_k 7.73 + log_k 7.73 Hfo_wOH + SeO4-2 = Hfo_wOHSeO4-2 - log_k 0.80 + log_k 0.8 # Selenite Hfo_wOH + SeO3-2 + H+ = Hfo_wSeO3- + H2O - log_k 12.69 + log_k 12.69 Hfo_wOH + SeO3-2 = Hfo_wOHSeO3-2 - log_k 5.17 + log_k 5.17 # # Derived constants table 10.10 # Hfo_wOH + F- + H+ = Hfo_wF + H2O - log_k 8.7 + log_k 8.7 Hfo_wOH + F- = Hfo_wOHF- - log_k 1.6 + log_k 1.6 # # Carbonate: Van Geen et al., 1994 reoptimized for HFO # 0.15 g HFO/L has 0.344 mM sites == 2 g of Van Geen's Goethite/L # Hfo_wOH + CO3-2 + H+ = Hfo_wCO3- + H2O - log_k 12.56 + log_k 12.56 - Hfo_wOH + CO3-2 + 2H+= Hfo_wHCO3 + H2O - log_k 20.62 + Hfo_wOH + CO3-2 + 2 H+ = Hfo_wHCO3 + H2O + log_k 20.62 # # Silicate: Swedlund, P.J. and Webster, J.G., 1999. Water Research, 33, 3413-3422. # - Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O ; log_K 4.28 - Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O ; log_K -3.22 - Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2H+ + H2O ; log_K -11.69 + Hfo_wOH + H4SiO4 = Hfo_wH3SiO4 + H2O; log_K 4.28 + Hfo_wOH + H4SiO4 = Hfo_wH2SiO4- + H+ + H2O; log_K -3.22 + Hfo_wOH + H4SiO4 = Hfo_wHSiO4-2 + 2 H+ + H2O; log_K -11.69 RATES ########### @@ -3743,15 +3747,15 @@ RATES Quartz -start -1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683 -2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol -3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259) -4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz -5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35 +1 REM Specific rate k from Rimstidt and Barnes, 1980, GCA 44,1683 +2 REM k = 10^-13.7 mol/m2/s (25 C), Ea = 90 kJ/mol +3 REM sp. rate * parm(2) due to salts (Dove and Rimstidt, MSA Rev. 29, 259) +4 REM PARM(1) = Specific area of Quartz, m^2/mol Quartz +5 REM PARM(2) = salt correction: (1 + 1.5 * c_Na (mM)), < 35 10 dif_temp = 1/TK - 1/298 20 pk_w = 13.7 + 4700.4 * dif_temp -40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz")) +40 moles = PARM(1) * M0 * PARM(2) * (M/M0)^0.67 * 10^-pk_w * (1 - SR("Quartz")) # Integrate... 50 SAVE moles * TIME -end @@ -3796,38 +3800,38 @@ Quartz K-feldspar -start -1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 -2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar -3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) -5 REM K-Feldspar parameters -10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 -20 RESTORE 10 -30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH -40 DATA 3500, 2000, 2500, 2000 -50 RESTORE 40 -60 READ e_H, e_H2O, e_OH, e_CO2 -70 pk_CO2 = 13 -80 n_CO2 = 0.6 +1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 +2 REM PARM(1) = Specific area of Kspar m^2/mol Kspar +3 REM PARM(2) = Adjusts lab rate to field rate +4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +5 REM K-Feldspar parameters +10 DATA 11.7, 0.5, 4e-6, 0.4, 500e-6, 0.15, 14.5, 0.14, 0.15, 13.1, 0.3 +20 RESTORE 10 +30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH +40 DATA 3500, 2000, 2500, 2000 +50 RESTORE 40 +60 READ e_H, e_H2O, e_OH, e_CO2 +70 pk_CO2 = 13 +80 n_CO2 = 0.6 100 REM Generic rate follows 110 dif_temp = 1/TK - 1/281 -120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") +120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") 130 REM rate by H+ -140 pk_H = pk_H + e_H * dif_temp -150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) +140 pk_H = pk_H + e_H * dif_temp +150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) 160 REM rate by hydrolysis -170 pk_H2O = pk_H2O + e_H2O * dif_temp +170 pk_H2O = pk_H2O + e_H2O * dif_temp 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC) 190 REM rate by OH- -200 pk_OH = pk_OH + e_OH * dif_temp -210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH +200 pk_OH = pk_OH + e_OH * dif_temp +210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH 220 REM rate by CO2 -230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp +230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2 -250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 -260 area = PARM(1) * M0 *(M/M0)^0.67 -270 rate = PARM(2) * area * rate * (1-SR("K-feldspar")) -280 moles = rate * TIME +250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 +260 area = PARM(1) * M0 *(M/M0)^0.67 +270 rate = PARM(2) * area * rate * (1-SR("K-feldspar")) +280 moles = rate * TIME 290 SAVE moles -end @@ -3871,38 +3875,38 @@ K-feldspar Albite -start -1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 -2 REM PARM(1) = Specific area of Albite m^2/mol Albite -3 REM PARM(2) = Adjusts lab rate to field rate -4 REM temp corr: from A&P, p. 162. E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) -5 REM Albite parameters -10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3 -20 RESTORE 10 -30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH -40 DATA 3500, 2000, 2500, 2000 -50 RESTORE 40 -60 READ e_H, e_H2O, e_OH, e_CO2 -70 pk_CO2 = 13 -80 n_CO2 = 0.6 +1 REM Sverdrup and Warfvinge, 1995, mol m^-2 s^-1 +2 REM PARM(1) = Specific area of Albite m^2/mol Albite +3 REM PARM(2) = Adjusts lab rate to field rate +4 REM temp corr: from A&P, p. 162 E (kJ/mol) / R / 2.303 = H in H*(1/T-1/281) +5 REM Albite parameters +10 DATA 11.5, 0.5, 4e-6, 0.4, 500e-6, 0.2, 13.7, 0.14, 0.15, 11.8, 0.3 +20 RESTORE 10 +30 READ pK_H, n_H, lim_Al, x_Al, lim_BC, x_BC, pK_H2O, z_Al, z_BC, pK_OH, o_OH +40 DATA 3500, 2000, 2500, 2000 +50 RESTORE 40 +60 READ e_H, e_H2O, e_OH, e_CO2 +70 pk_CO2 = 13 +80 n_CO2 = 0.6 100 REM Generic rate follows 110 dif_temp = 1/TK - 1/281 -120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") +120 BC = ACT("Na+") + ACT("K+") + ACT("Mg+2") + ACT("Ca+2") 130 REM rate by H+ -140 pk_H = pk_H + e_H * dif_temp -150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) +140 pk_H = pk_H + e_H * dif_temp +150 rate_H = 10^-pk_H * ACT("H+")^n_H / ((1 + ACT("Al+3") / lim_Al)^x_Al * (1 + BC / lim_BC)^x_BC) 160 REM rate by hydrolysis -170 pk_H2O = pk_H2O + e_H2O * dif_temp +170 pk_H2O = pk_H2O + e_H2O * dif_temp 180 rate_H2O = 10^-pk_H2O / ((1 + ACT("Al+3") / lim_Al)^z_Al * (1 + BC / lim_BC)^z_BC) 190 REM rate by OH- -200 pk_OH = pk_OH + e_OH * dif_temp -210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH +200 pk_OH = pk_OH + e_OH * dif_temp +210 rate_OH = 10^-pk_OH * ACT("OH-")^o_OH 220 REM rate by CO2 -230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp +230 pk_CO2 = pk_CO2 + e_CO2 * dif_temp 240 rate_CO2 = 10^-pk_CO2 * (SR("CO2(g)"))^n_CO2 -250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 -260 area = PARM(1) * M0 *(M/M0)^0.67 -270 rate = PARM(2) * area * rate * (1-SR("Albite")) -280 moles = rate * TIME +250 rate = rate_H + rate_H2O + rate_OH + rate_CO2 +260 area = PARM(1) * M0 *(M/M0)^0.67 +270 rate = PARM(2) * area * rate * (1-SR("Albite")) +280 moles = rate * TIME 290 SAVE moles -end @@ -3910,7 +3914,7 @@ Albite #Calcite ######## # Example of KINETICS data block for calcite rate, -# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257. +# in mmol/cm2/s, Plummer et al., 1978, AJS 278, 179; Appelo et al., AG 13, 257 # KINETICS 1 # Calcite # -tol 1e-8 @@ -3921,16 +3925,16 @@ Albite Calcite -start -1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite -2 REM PARM(2) = exponent for M/M0 - -10 si_cc = SI("Calcite") -20 IF (M <= 0 and si_cc < 0) THEN GOTO 200 -30 k1 = 10^(0.198 - 444.0 / TK ) -40 k2 = 10^(2.84 - 2177.0 /TK ) -50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317.0 / TK) -60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737.0 / TK ) -80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M +1 REM PARM(1) = specific surface area of calcite, cm^2/mol calcite +2 REM PARM(2) = exponent for M/M0 + +10 si_cc = SI("Calcite") +20 IF (M <= 0 and si_cc < 0) THEN GOTO 200 +30 k1 = 10^(0.198 - 444 / TK ) +40 k2 = 10^(2.84 - 2177 /TK ) +50 IF TC <= 25 THEN k3 = 10^(-5.86 - 317 / TK) +60 IF TC > 25 THEN k3 = 10^(-1.1 - 1737 / TK ) +80 IF M0 > 0 THEN area = PARM(1)*M0*(M/M0)^PARM(2) ELSE area = PARM(1)*M 110 rate = area * (k1 * ACT("H+") + k2 * ACT("CO2") + k3 * ACT("H2O")) 120 rate = rate * (1 - 10^(2/3*si_cc)) 130 moles = rate * 0.001 * TIME # convert from mmol to mol @@ -3955,18 +3959,18 @@ Calcite # -time 1 day in 10 Pyrite -start -1 REM Williamson and Rimstidt, 1994 -2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite) -3 REM PARM(2) = exp for (M/M0) -4 REM PARM(3) = exp for O2 -5 REM PARM(4) = exp for H+ - -10 REM Dissolution in presence of DO -20 if (M <= 0) THEN GOTO 200 -30 if (SI("Pyrite") >= 0) THEN GOTO 200 -40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+") -50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0) -60 moles = 10^(log_area + log_rate) * TIME +1 REM Williamson and Rimstidt, 1994 +2 REM PARM(1) = log10(specific area), log10(m^2 per mole pyrite) +3 REM PARM(2) = exp for (M/M0) +4 REM PARM(3) = exp for O2 +5 REM PARM(4) = exp for H+ + +10 REM Dissolution in presence of DO +20 if (M <= 0) THEN GOTO 200 +30 if (SI("Pyrite") >= 0) THEN GOTO 200 +40 log_rate = -8.19 + PARM(3)*LM("O2") + PARM(4)*LM("H+") +50 log_area = PARM(1) + LOG10(M0) + PARM(2)*LOG10(M/M0) +60 moles = 10^(log_area + log_rate) * TIME 200 SAVE moles -end @@ -3983,19 +3987,19 @@ Pyrite # -time 30 year in 15 Organic_C -start -1 REM Additive Monod kinetics for SOC (sediment organic carbon) -2 REM Electron acceptors: O2, NO3, and SO4 - -10 if (M <= 0) THEN GOTO 200 -20 mO2 = MOL("O2") -30 mNO3 = TOT("N(5)") -40 mSO4 = TOT("S(6)") -50 k_O2 = 1.57e-9 # 1/sec -60 k_NO3 = 1.67e-11 # 1/sec -70 k_SO4 = 1.e-13 # 1/sec -80 rate = k_O2 * mO2/(2.94e-4 + mO2) -90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3) -100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4) +1 REM Additive Monod kinetics for SOC (sediment organic carbon) +2 REM Electron acceptors: O2, NO3, and SO4 + +10 if (M <= 0) THEN GOTO 200 +20 mO2 = MOL("O2") +30 mNO3 = TOT("N(5)") +40 mSO4 = TOT("S(6)") +50 k_O2 = 1.57e-9 # 1/sec +60 k_NO3 = 1.67e-11 # 1/sec +70 k_SO4 = 1.e-13 # 1/sec +80 rate = k_O2 * mO2/(2.94e-4 + mO2) +90 rate = rate + k_NO3 * mNO3/(1.55e-4 + mNO3) +100 rate = rate + k_SO4 * mSO4/(1.e-4 + mSO4) 110 moles = rate * M * (M/M0) * TIME 200 SAVE moles -end @@ -4016,14 +4020,14 @@ Organic_C # -time 0.5 day in 10 Pyrolusite -start -10 if (M <= 0) THEN GOTO 200 -20 sr_pl = SR("Pyrolusite") -30 if (sr_pl > 1) THEN GOTO 100 -40 REM sr_pl <= 1, undersaturated -50 Fe_t = TOT("Fe(2)") -60 if Fe_t < 1e-8 then goto 200 -70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl) -80 GOTO 200 +10 if (M <= 0) THEN GOTO 200 +20 sr_pl = SR("Pyrolusite") +30 if (sr_pl > 1) THEN GOTO 100 +40 REM sr_pl <= 1, undersaturated +50 Fe_t = TOT("Fe(2)") +60 if Fe_t < 1e-8 then goto 200 +70 moles = 6.98e-5 * Fe_t * (M/M0)^0.67 * TIME * (1 - sr_pl) +80 GOTO 200 100 REM sr_pl > 1, supersaturated 110 moles = 2e-3 * 6.98e-5 * (1 - sr_pl) * TIME 200 SAVE moles * SOLN_VOL diff --git a/doc/RELEASE.TXT b/doc/RELEASE.TXT index 92a3d4aa6..3d5ca8e4b 100644 --- a/doc/RELEASE.TXT +++ b/doc/RELEASE.TXT @@ -1,4 +1,15 @@ Version @PHREEQC_VER@: @PHREEQC_DATE@ + + ----------------- + May 18, 2024 + ----------------- + DATABASES: + sit.dat was updated to version 12a (Aug 22, 2023) from www.thermochimie-tdb.com. + + Amm.dat, iso.dat, llnl.dat, minteq.dat, minteq.v4.dat, phreeqc.dat, + phreeqc_rates.dat, pitzer.dat. Tipping_Hurley.dat, and wateq4f.dat were + reformatted by using the lsp utility by David Kinniburgh from phreeplot.org. + ----------------- May 3, 2024 ----------------- diff --git a/mytest/CMakeLists.txt b/mytest/CMakeLists.txt index 851ae6959..c31c88c6e 100644 --- a/mytest/CMakeLists.txt +++ b/mytest/CMakeLists.txt @@ -7,7 +7,6 @@ set(TESTS adapted_minteq advect_ranges aj1 - albite_rates alkalinity all_llnl andra_kin_ss diff --git a/mytest/count_database_species.out b/mytest/count_database_species.out index 37352e689..960a13e59 100644 --- a/mytest/count_database_species.out +++ b/mytest/count_database_species.out @@ -6,6 +6,7 @@ Database file: ../database/sit.dat Reading data base. ------------------ + SOLUTION_SPECIES SOLUTION_MASTER_SPECIES SIT SOLUTION_SPECIES @@ -290,7 +291,7 @@ Initial solution 1. Summary of inorganic species (elements) number of primary master species = 55 -number of secondary master species = 57 +number of secondary master species = 71 number of minerals = 896 number of gases = 13 number of aqueous species = 1099 @@ -584,6 +585,8 @@ C(-4) 0.000e+00 CH3HgSH 0.000e+00 0.000e+00 -126.613 -126.613 0.000 (0) CH3HgS- 0.000e+00 0.000e+00 -130.028 -130.113 -0.085 (0) (CH3Hg)2OH+ 0.000e+00 0.000e+00 -147.286 -147.371 -0.085 (0) +C(2) 4.486e-33 + CO 4.486e-33 4.486e-33 -32.348 -32.348 0.000 (0) C(4) 1.000e-03 (UO2)2(CO3)(OH)3- 2.962e-04 2.435e-04 -3.528 -3.614 -0.085 (0) Fe(OH)CO3 1.326e-04 1.326e-04 -3.877 -3.877 0.000 (0) @@ -717,7 +720,6 @@ C(4) 1.000e-03 Np(CO3)2- 4.055e-29 3.333e-29 -28.392 -28.477 -0.085 (0) AmO2(CO3)- 5.655e-30 4.647e-30 -29.248 -29.333 -0.085 (0) U(CO3)4-4 6.682e-31 2.910e-32 -30.175 -31.536 -1.361 (0) - CO 4.486e-33 4.486e-33 -32.348 -32.348 0.000 (0) Np(CO3)3-3 2.511e-33 4.307e-34 -32.600 -33.366 -0.766 (0) AmO2(CO3)2-3 1.214e-35 2.082e-36 -34.916 -35.681 -0.766 (0) U(CO3)5-6 2.868e-38 0.000e+00 -37.542 -40.605 -3.062 (0) @@ -808,7 +810,7 @@ Cd 1.000e-03 CdHS+ 0.000e+00 0.000e+00 -60.921 -61.006 -0.085 (0) Cd(S2O3) 0.000e+00 0.000e+00 -71.740 -71.740 0.000 (0) Cd(HS)2 0.000e+00 0.000e+00 -118.959 -118.959 0.000 (0) -Cl 1.000e-03 +Cl(-1) 1.000e-03 Cl- 9.108e-04 7.527e-04 -3.041 -3.123 -0.083 (0) CdCl+ 3.536e-05 2.907e-05 -4.452 -4.536 -0.085 (0) AgCl 2.655e-05 2.655e-05 -4.576 -4.576 0.000 (0) @@ -897,8 +899,10 @@ Cl 1.000e-03 SnCl2 2.245e-38 2.245e-38 -37.649 -37.649 0.000 (0) SnCl3- 0.000e+00 0.000e+00 -40.727 -40.812 -0.085 (0) SnCl4-2 0.000e+00 0.000e+00 -43.695 -44.036 -0.340 (0) - Cl2 0.000e+00 0.000e+00 -45.457 -45.457 0.000 (0) CH3HgCl 0.000e+00 0.000e+00 -73.784 -73.784 0.000 (0) +Cl(0) 0.000e+00 + Cl2 0.000e+00 0.000e+00 -45.457 -45.457 0.000 (0) +Cl(7) 0.000e+00 ClO4- 0.000e+00 0.000e+00 -102.834 -102.915 -0.081 (0) Cm 1.000e-03 Cm+3 4.463e-04 7.661e-05 -3.350 -4.116 -0.765 (0) @@ -1329,15 +1333,15 @@ I(-1) 1.000e-03 HfI+3 4.974e-25 8.535e-26 -24.303 -25.069 -0.766 (0) PuI+3 3.340e-26 5.732e-27 -25.476 -26.242 -0.765 (0) I3- 1.143e-26 9.397e-27 -25.942 -26.027 -0.085 (0) - IO- 6.297e-28 5.177e-28 -27.201 -27.286 -0.085 (0) NpI+3 1.259e-28 2.160e-29 -27.900 -28.666 -0.766 (0) ICl2- 5.657e-31 4.651e-31 -30.247 -30.332 -0.085 (0) SnI+ 9.277e-38 7.627e-38 -37.033 -37.118 -0.085 (0) UI+3 7.386e-39 1.267e-39 -38.132 -38.897 -0.766 (0) SnI2 0.000e+00 0.000e+00 -41.453 -41.453 0.000 (0) UO2IO3+ 0.000e+00 0.000e+00 -56.663 -56.749 -0.085 (0) - IO4- 0.000e+00 0.000e+00 -82.182 -82.267 -0.085 (0) UO2(IO3)2 0.000e+00 0.000e+00 -106.015 -106.015 0.000 (0) +I(1) 6.297e-28 + IO- 6.297e-28 5.177e-28 -27.201 -27.286 -0.085 (0) I(5) 0.000e+00 IO3- 0.000e+00 0.000e+00 -50.761 -50.847 -0.085 (0) Mn(IO3)+ 0.000e+00 0.000e+00 -53.353 -53.438 -0.085 (0) @@ -1350,6 +1354,8 @@ I(5) 0.000e+00 Mn(IO3)2 0.000e+00 0.000e+00 -104.994 -104.994 0.000 (0) Sr(IO3)2 0.000e+00 0.000e+00 -105.592 -105.592 0.000 (0) Al(IO3)2+ 0.000e+00 0.000e+00 -105.827 -105.912 -0.085 (0) +I(7) 0.000e+00 + IO4- 0.000e+00 0.000e+00 -82.182 -82.267 -0.085 (0) K 1.000e-03 K+ 1.000e-03 8.221e-04 -3.000 -3.085 -0.085 (0) K(HPO4)- 4.644e-10 3.818e-10 -9.333 -9.418 -0.085 (0) @@ -1384,7 +1390,7 @@ Mg 1.000e-03 Mg(NH3)4+2 4.447e-28 2.032e-28 -27.352 -27.692 -0.340 (0) Mg(IO3)+ 0.000e+00 0.000e+00 -53.409 -53.494 -0.085 (0) Mg(S2O3) 0.000e+00 0.000e+00 -72.344 -72.344 0.000 (0) -Mn 1.000e-03 +Mn(2) 1.000e-03 Mn+2 8.104e-04 3.703e-04 -3.091 -3.431 -0.340 (0) MnF2 1.600e-04 1.600e-04 -3.796 -3.796 0.000 (0) Mn(SO4) 1.332e-05 1.332e-05 -4.875 -4.875 0.000 (0) @@ -1412,15 +1418,21 @@ Mn 1.000e-03 Mn(OH)3- 7.125e-18 5.858e-18 -17.147 -17.232 -0.085 (0) Mn(OH)4-2 4.052e-24 1.851e-24 -23.392 -23.733 -0.340 (0) Mn(NO3)+ 1.193e-24 9.809e-25 -23.923 -24.008 -0.085 (0) - Mn+3 6.670e-25 1.144e-25 -24.176 -24.941 -0.766 (0) Mn(NO3)2 0.000e+00 0.000e+00 -44.405 -44.405 0.000 (0) - MnO4-3 0.000e+00 0.000e+00 -47.667 -48.433 -0.766 (0) - MnO4-2 0.000e+00 0.000e+00 -49.522 -49.863 -0.340 (0) Mn(IO3)+ 0.000e+00 0.000e+00 -53.353 -53.438 -0.085 (0) - MnO4- 0.000e+00 0.000e+00 -55.158 -55.243 -0.085 (0) Mn(S2O3) 0.000e+00 0.000e+00 -72.348 -72.348 0.000 (0) Mn(IO3)2 0.000e+00 0.000e+00 -104.994 -104.994 0.000 (0) -Mo 1.000e-03 +Mn(3) 6.670e-25 + Mn+3 6.670e-25 1.144e-25 -24.176 -24.941 -0.766 (0) +Mn(5) 0.000e+00 + MnO4-3 0.000e+00 0.000e+00 -47.667 -48.433 -0.766 (0) +Mn(6) 0.000e+00 + MnO4-2 0.000e+00 0.000e+00 -49.522 -49.863 -0.340 (0) +Mn(7) 0.000e+00 + MnO4- 0.000e+00 0.000e+00 -55.158 -55.243 -0.085 (0) +Mo(3) 0.000e+00 + Mo+3 0.000e+00 0.000e+00 -48.814 -49.579 -0.766 (0) +Mo(6) 1.000e-03 MoO4-2 9.993e-04 4.566e-04 -3.000 -3.341 -0.340 (0) HMoO4- 7.156e-07 5.881e-07 -6.145 -6.231 -0.085 (0) H2MoO4 6.449e-10 6.449e-10 -9.191 -9.191 0.000 (0) @@ -1429,7 +1441,6 @@ Mo 1.000e-03 Mo7O23(OH)-5 9.019e-28 6.723e-30 -27.045 -29.172 -2.128 (0) Mo7O22(OH)2-4 4.896e-30 2.126e-31 -29.310 -30.672 -1.362 (0) Mo7O21(OH)3-3 7.320e-34 1.252e-34 -33.135 -33.902 -0.767 (0) - Mo+3 0.000e+00 0.000e+00 -48.814 -49.579 -0.766 (0) Mo19O59-4 0.000e+00 0.000e+00 -103.804 -105.165 -1.361 (0) N(-3) 1.000e-03 NH4+ 3.083e-04 2.534e-04 -3.511 -3.596 -0.085 (0) @@ -2006,9 +2017,10 @@ S(6) 1.000e-03 U(SO4)+2 2.315e-32 1.058e-32 -31.635 -31.975 -0.340 (0) U(SO4)2 1.822e-32 1.822e-32 -31.740 -31.740 0.000 (0) Sn(SO4) 1.459e-34 1.459e-34 -33.836 -33.836 0.000 (0) - HSO5- 0.000e+00 0.000e+00 -48.819 -48.904 -0.085 (0) S2O8-2 0.000e+00 0.000e+00 -64.428 -64.768 -0.340 (0) CH3HgSO4- 0.000e+00 0.000e+00 -77.079 -77.164 -0.085 (0) +S(8) 0.000e+00 + HSO5- 0.000e+00 0.000e+00 -48.819 -48.904 -0.085 (0) Sb(3) 2.376e-08 Sb(OH)3 2.375e-08 2.375e-08 -7.624 -7.624 0.000 (0) Sb(OH)4- 4.370e-13 3.593e-13 -12.359 -12.445 -0.085 (0) @@ -2419,8 +2431,8 @@ Zr 1.000e-03 Beidellite-K 9.48 14.08 4.60 K0.34Al2.34Si3.66O10(OH)2 Beidellite-Mg 9.33 14.56 5.23 Mg0.17Al2.34Si3.66O10(OH)2 Beidellite-Na 8.98 14.08 5.10 Na0.34Al2.34Si3.66O10(OH)2 - Beidellite_SBld-1 8.44 16.02 7.58 Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2 - Beidellite_SBld-1(4.576H2O) 11.76 16.02 4.26 Ca0.185K0.104Si3.574Al2.238Mg0.090Fe0.112O10(OH)2:4.576H2O + Beidellite_SBld-1 8.44 16.02 7.58 Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.09Fe0.112)O10(OH)2 + Beidellite_SBld-1(4.576H2O) 11.76 16.02 4.26 Ca0.185K0.104Si3.574Al2.238Mg0.09Fe0.112O10(OH)2:4.576H2O BeO(cr) 1.46 8.18 6.72 BeO Berlinite -0.88 -1.45 -0.57 Al(PO4) Berndtite -117.00 -154.56 -37.56 SnS2 @@ -2740,10 +2752,10 @@ Zr 1.000e-03 HSaponite-K -7.42 21.07 28.49 K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O HSaponite-Mg -6.93 21.55 28.48 Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O HSaponite-Na -6.96 21.07 28.03 Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O - HVermiculite-Ca -64.68 33.14 97.82 Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:4.45H2O - HVermiculite-K -55.74 31.94 87.68 K0.86Mg3.00Si3.14Al0.86O10(OH)2:1.96H2O - HVermiculite-Mg -35.03 33.15 68.18 Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:4.61H2O - HVermiculite-Na -64.59 31.93 96.52 Na0.86Mg3.00Si3.14Al0.86O10(OH)2:3.84H2O + HVermiculite-Ca -64.68 33.14 97.82 Ca0.43Mg3Si3.14Al0.86O10(OH)2:4.45H2O + HVermiculite-K -55.74 31.94 87.68 K0.86Mg3Si3.14Al0.86O10(OH)2:1.96H2O + HVermiculite-Mg -35.03 33.15 68.18 Mg0.43Mg3Si3.14Al0.86O10(OH)2:4.61H2O + HVermiculite-Na -64.59 31.93 96.52 Na0.86Mg3Si3.14Al0.86O10(OH)2:3.84H2O Hydrocerussite 4.15 -13.76 -17.91 Pb3(CO3)2(OH)2 Hydrophilite -21.38 -9.61 11.77 CaCl2 Hydrotalcite -6.17 67.57 73.74 Mg4Al2(OH)14:3H2O @@ -3201,9 +3213,9 @@ Zr 1.000e-03 Valentinite -6.77 -15.25 -8.48 Sb2O3 Vaterite -3.41 -11.31 -7.90 CaCO3 Vermiculite-Ca -6.41 33.14 39.55 Ca0.43Mg3Si3.14Al0.86O10(OH)2 - Vermiculite-K -5.50 31.94 37.44 K0.86Mg3.00Si3.14Al0.86O10(OH)2 + Vermiculite-K -5.50 31.94 37.44 K0.86Mg3Si3.14Al0.86O10(OH)2 Vermiculite-Mg -4.89 33.15 38.04 Mg0.43Mg3Si3.14Al0.86O10(OH)2 - Vermiculite-Na -6.45 31.94 38.39 Na0.86Mg3.00Si3.14Al0.86O10(OH)2 + Vermiculite-Na -6.45 31.94 38.39 Na0.86Mg3Si3.14Al0.86O10(OH)2 Vermiculite_SO -7.40 38.48 45.88 (Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2 Vivianite -2.72 0.40 3.12 Fe3(PO4)2:8H2O Wairakite 3.19 17.61 14.42 CaAl2Si4O12:2H2O