diff --git a/database/phreeqc_rates.dat b/database/phreeqc_rates.dat index 3909b9257..d5e2fbe5b 100644 --- a/database/phreeqc_rates.dat +++ b/database/phreeqc_rates.dat @@ -2506,113 +2506,113 @@ RATE_PARAMETERS_PK # Acid Neutral Base # log K E n(H+) log K E log K E n(OH-) # ================================================================ -Quartz -30 0 0 -13.4 90.9 -30 0 0 # Table 4 -# -SiO2(a) -30 0 0 -12.31 76 -30 0 0 # Table 6 -Cristobalite -30 0 0 -12.31 65 -30 0 0 -# -Albite -10.16 65 0.317 -12.56 65 -15.6 66.5 -0.471 # Table 1 -Oligoclase -9.67 65 0.457 -11.84 69.8 -30 0 0 # Table 13 -Andesine -8.88 53.5 0.541 -11.47 57.4 -30 0 0 -Labradorite -7.87 42.1 0.626 -10.91 45.2 -30 0 0 -Bytownite -5.85 29.3 1.018 -9.82 31.5 -30 0 0 -Anorthite -3.5 16.6 1.411 -9.12 17.8 -30 0 0 -# -K-feldspar -10.06 51.7 0.5 -12.41 38 -21.2 94.1 -0.823 # Table 15 -# -Nepheline -2.73 62.9 1.13 -8.56 65.4 -10.76 37.8 -0.2 # Table 18 -Leucite -6 132.2 0.7 -9.2 75.5 -10.66 56.6 -0.2 -# -Forsterite -6.85 67.2 0.47 -10.64 79 -30 0 0 # Table 23 -Fayalite -4.8 94.4 0 -12.8 94.4 -30 0 0 -Almandine -5.2 94.4 1 -10.7 103.8 -13.71 37.8 -0.35 -Grossular -5.1 85 1 -10.7 103.8 -30 0 0 -Andradite -5.2 94.4 1 -10.7 103.8 -30 0 0 -Kyanite -10.17 -53.9 1.268 -17.44 53.9 -30 0 0 -Staurolite -6.9 18.9 1 -12.2 56.6 -14.9 47.2 -0.3 -Epidote -10.6 71.1 0.338 -11.99 70.7 -17.33 79.1 -0.556 -Zoisite -7.5 66.1 0.5 -11.2 66.1 -30 0 0 -# -Cordierite -3.8 113.3 1 -11.2 28.3 -30 0 0 # Table 25 -Tourmaline -6.5 75.5 1 -11.2 85 -30 0 0 -# -augite -6.82 78 0.7 -11.97 78 -30 0 0 # Table 26 -bronzite -8.3 47.2 0.65 -11.7 66.1 -30 0 0 -diopside -6.36 96.1 0.71 -11.11 40.6 -30 0 0 -enstatite -9.02 80 0.6 -12.72 80 -30 0 0 -jadeite -6 132.2 0.7 -9.5 94.4 -30 0 0 -spodumene -4.6 94.4 0.7 -9.3 66.1 -30 0 0 -wollastonite -5.37 54.7 0.4 -8.88 54.7 -30 0 0 -# -anthophyllite -11.94 51 0.44 -14.24 51 -30 0 0 # Table 27 -glaucophane -5.6 85 0.7 -10.1 94.4 -30 0 0 -hornblende -7 75.5 0.6 -10.3 94.4 -30 0 0 -riebeckite -7.7 56.6 0.7 -12.2 47.2 -30 0 0 -tremolite -8.4 18.9 0.7 -10.6 94.4 -30 0 0 -# -biotite -9.84 22 0.525 -12.55 22 -30 0 0 # Table 28 -glauconite -4.8 85 0.7 -9.1 85 -30 0 0 -muscovite -11.85 22 0.37 -13.55 22 -14.55 22 -0.22 -muscovite -30 0 0 -13 22 -30 0 0 -paragonite -30 0 0 -13 22 -30 0 0 -phlogopite -30 0 0 -12.4 29 -30 0 0 -pyrophyllite -30 0 0 -12.4 29 -30 0 0 -# -kaolinite -11.31 65.9 0.777 -13.18 22.2 -17.05 17.9 -0.472 # Table 29 -montmorillonite -12.71 48 0.22 -14.41 48 -14.41 48 -0.13 # Montmorillonite, K0.318(Si3.975Al0.025)(Al1.509Fe0.205Mg0.283)(OH)2. -smectite -10.98 23.6 0.34 -12.78 35 -16.52 58.9 -0.4 # Smectite, K0.04Ca0.5(Al2.8Fe0.53Mg0.7)(Si7.65Al0.35)O20(OH)4. -# -lizardite -5.7 75.5 0.8 -12.4 56.6 -30 0 0 # Table 30 -chrysotile -30 0 0 -12 73.5 -13.58 73.5 -0.23 -chlorite(14A) -11.11 88 0.5 -12.52 88 -30 0 0 -talc -30 0 0 -12 42 -30 0 0 -prehnite -10.66 80.5 0.256 -13.16 93.4 -14.86 93.4 -0.2 -# -goethite -30 0 0 -7.94 86.5 -30 0 0 # Table 31 -hematite -9.39 66.2 1 -14.6 66.2 -30 0 0 -magnetite -8.59 18.6 0.279 -10.78 18.6 -30 0 0 -ilmenite -8.35 37.9 0.421 -11.16 37.9 -30 0 0 -uraninite -30 0 0 -7.98 32 -30 0 0 -# -brucite -4.73 59 0.5 -8.24 42 -30 0 0 # Table 32 -gibbsite -7.65 47.5 0.992 -11.5 61.2 -16.65 80.1 -0.784 -diaspore -30 0 0 -13.33 47.5 -23.6 47.5 -1.503 -# -anglesite -5.58 31.3 0.298 -6.5 31.3 -30 0 0 # Table 34 -anhydrite -30 0 0 -3.19 14.3 -30 0 0 -gypsum -30 0 0 -2.79 0 -30 0 0 -barite -6.9 30.8 0.22 -7.9 30.8 -30 0 0 -celestite -5.66 23.8 0.109 -30 0 -30 0 0 -# -hydroxyapatite -4.29 250 0.171 -6 250 -30 0 0 # Table 36 -fluorapatite -3.73 250 0.613 -8 250 -30 0 0 -# -halite -30 0 0 -0.21 7.4 -30 0 0 # Table 37 -fluorite -7.14 73 1 -13.79 73 -30 0 0 +Quartz -30 0 0 -13.4 90.9 -30 0 0 # Table 4 +# +SiO2(a) -30 0 0 -12.31 76 -30 0 0 # Table 6 +Cristobalite -30 0 0 -12.31 65 -30 0 0 +# +Albite -10.16 65 0.317 -12.56 65 -15.6 66.5 -0.471 # Table 1 +Oligoclase -9.67 65 0.457 -11.84 69.8 -30 0 0 # Table 13 +Andesine -8.88 53.5 0.541 -11.47 57.4 -30 0 0 +Labradorite -7.87 42.1 0.626 -10.91 45.2 -30 0 0 +Bytownite -5.85 29.3 1.018 -9.82 31.5 -30 0 0 +Anorthite -3.5 16.6 1.411 -9.12 17.8 -30 0 0 +# +K-feldspar -10.06 51.7 0.5 -12.41 38 -21.2 94.1 -0.823 # Table 15 +# +Nepheline -2.73 62.9 1.13 -8.56 65.4 -10.76 37.8 -0.2 # Table 18 +Leucite -6 132.2 0.7 -9.2 75.5 -10.66 56.6 -0.2 +# +Forsterite -6.85 67.2 0.47 -10.64 79 -30 0 0 # Table 23 +Fayalite -4.8 94.4 0 -12.8 94.4 -30 0 0 +Almandine -5.2 94.4 1 -10.7 103.8 -13.71 37.8 -0.35 +Grossular -5.1 85 1 -10.7 103.8 -30 0 0 +Andradite -5.2 94.4 1 -10.7 103.8 -30 0 0 +Kyanite -10.17 -53.9 1.268 -17.44 53.9 -30 0 0 +Staurolite -6.9 18.9 1 -12.2 56.6 -14.9 47.2 -0.3 +Epidote -10.6 71.1 0.338 -11.99 70.7 -17.33 79.1 -0.556 +Zoisite -7.5 66.1 0.5 -11.2 66.1 -30 0 0 +# +Cordierite -3.8 113.3 1 -11.2 28.3 -30 0 0 # Table 25 +Tourmaline -6.5 75.5 1 -11.2 85 -30 0 0 +# +augite -6.82 78 0.7 -11.97 78 -30 0 0 # Table 26 +bronzite -8.3 47.2 0.65 -11.7 66.1 -30 0 0 +diopside -6.36 96.1 0.71 -11.11 40.6 -30 0 0 +enstatite -9.02 80 0.6 -12.72 80 -30 0 0 +jadeite -6 132.2 0.7 -9.5 94.4 -30 0 0 +spodumene -4.6 94.4 0.7 -9.3 66.1 -30 0 0 +wollastonite -5.37 54.7 0.4 -8.88 54.7 -30 0 0 +# +anthophyllite -11.94 51 0.44 -14.24 51 -30 0 0 # Table 27 +glaucophane -5.6 85 0.7 -10.1 94.4 -30 0 0 +hornblende -7 75.5 0.6 -10.3 94.4 -30 0 0 +riebeckite -7.7 56.6 0.7 -12.2 47.2 -30 0 0 +tremolite -8.4 18.9 0.7 -10.6 94.4 -30 0 0 +# +biotite -9.84 22 0.525 -12.55 22 -30 0 0 # Table 28 +glauconite -4.8 85 0.7 -9.1 85 -30 0 0 +muscovite -11.85 22 0.37 -13.55 22 -14.55 22 -0.22 +muscovite -30 0 0 -13 22 -30 0 0 +paragonite -30 0 0 -13 22 -30 0 0 +phlogopite -30 0 0 -12.4 29 -30 0 0 +pyrophyllite -30 0 0 -12.4 29 -30 0 0 +# +kaolinite -11.31 65.9 0.777 -13.18 22.2 -17.05 17.9 -0.472 # Table 29 +montmorillonite -12.71 48 0.22 -14.41 48 -14.41 48 -0.13 # Montmorillonite, K0.318(Si3.975Al0.025)(Al1.509Fe0.205Mg0.283)(OH)2. +smectite -10.98 23.6 0.34 -12.78 35 -16.52 58.9 -0.4 # Smectite, K0.04Ca0.5(Al2.8Fe0.53Mg0.7)(Si7.65Al0.35)O20(OH)4. +# +lizardite -5.7 75.5 0.8 -12.4 56.6 -30 0 0 # Table 30 +chrysotile -30 0 0 -12 73.5 -13.58 73.5 -0.23 +chlorite(14A) -11.11 88 0.5 -12.52 88 -30 0 0 +talc -30 0 0 -12 42 -30 0 0 +prehnite -10.66 80.5 0.256 -13.16 93.4 -14.86 93.4 -0.2 +# +goethite -30 0 0 -7.94 86.5 -30 0 0 # Table 31 +hematite -9.39 66.2 1 -14.6 66.2 -30 0 0 +magnetite -8.59 18.6 0.279 -10.78 18.6 -30 0 0 +ilmenite -8.35 37.9 0.421 -11.16 37.9 -30 0 0 +uraninite -30 0 0 -7.98 32 -30 0 0 +# +brucite -4.73 59 0.5 -8.24 42 -30 0 0 # Table 32 +gibbsite -7.65 47.5 0.992 -11.5 61.2 -16.65 80.1 -0.784 +diaspore -30 0 0 -13.33 47.5 -23.6 47.5 -1.503 +# +anglesite -5.58 31.3 0.298 -6.5 31.3 -30 0 0 # Table 34 +anhydrite -30 0 0 -3.19 14.3 -30 0 0 +gypsum -30 0 0 -2.79 0 -30 0 0 +barite -6.9 30.8 0.22 -7.9 30.8 -30 0 0 +celestite -5.66 23.8 0.109 -30 0 -30 0 0 +# +hydroxyapatite -4.29 250 0.171 -6 250 -30 0 0 # Table 36 +fluorapatite -3.73 250 0.613 -8 250 -30 0 0 +# +halite -30 0 0 -0.21 7.4 -30 0 0 # Table 37 +fluorite -7.14 73 1 -13.79 73 -30 0 0 # # Acid Neutral P_CO2 # log K E n(H+) log K E log K E n(P_CO2) Table # ================================================================================ -calcite -0.3 14.4 1 -5.81 23.5 -3.48 35.4 1 33 # specify Table number for P_CO2^n(P_CO2) -dawsonite -30 0 0 -7 62.8 -30 0 0 33 -dolomite(d) -3.19 36.1 0.5 -7.53 52.2 -5.11 34.8 0.5 33 -dolomite -3.76 56.7 0.5 -8.6 95.3 -5.37 45.7 0.5 33 -magnesite -6.38 14.4 1 -9.34 23.5 -5.22 62.8 1 33 +calcite -0.3 14.4 1 -5.81 23.5 -3.48 35.4 1 33 # specify Table number for P_CO2^n(P_CO2) +dawsonite -30 0 0 -7 62.8 -30 0 0 33 +dolomite(d) -3.19 36.1 0.5 -7.53 52.2 -5.11 34.8 0.5 33 +dolomite -3.76 56.7 0.5 -8.6 95.3 -5.37 45.7 0.5 33 +magnesite -6.38 14.4 1 -9.34 23.5 -5.22 62.8 1 33 # # Acid and Fe+3 Neutral and O2 Base # log K E n(H+) n(Fe+3) log K E n(O2) log K E n(OH-) Table # ========================================================================================= -pyrite -7.52 56.9 -0.5 0.5 -4.55 56.9 0.5 -30 0 0 35 # specify Table number for Fe+3 and O2 -pyrrhotite(Mc) -8.04 50.8 -0.597 0.355 -30 0 0 -30 0 0 35 -pyrrhotite(Hx) -6.79 63 -0.09 0.356 -30 0 0 -30 0 0 35 -As2S3(a) -30 0 0 0 -9.83 8.7 0.18 -17.39 8.7 -1.208 35 +pyrite -7.52 56.9 -0.5 0.5 -4.55 56.9 0.5 -30 0 0 35 # specify Table number for Fe+3 and O2 +pyrrhotite(Mc) -8.04 50.8 -0.597 0.355 -30 0 0 -30 0 0 35 +pyrrhotite(Hx) -6.79 63 -0.09 0.356 -30 0 0 -30 0 0 35 +As2S3(a) -30 0 0 0 -9.83 8.7 0.18 -17.39 8.7 -1.208 35 RATE_PARAMETERS_SVD # Table 4: E's Table 3: H+-reaction H2O-reaction CO2-reaction Organic_acids OH--reaction Table 5 # H+ H2O CO2 Organic acids OH- pkH nH yAl CAl xBC CBC pkH2O yAl CAl xBC CBC zSi CSi pkCO2 nCO2 pkOrg nOrg COrg pkOH- wOH- yAl CAl xBC CBC zSi CSi # Num Mineral Formula # ================================================================================================================================================================================================================================================================================================= -Albite 3350 2500 1680 1200 3100 14.6 0.5 0.4 0.4 0.4 0.5 16.8 0.15 4 0.15 200 3 900 16.05 0.6 14.7 0.5 5 15.4 0.3 0.1 12 0.5 5 3 900 # 1.6 Albite NaAlSi3O8 -Quartz 3890 0 2200 2000 3320 18.4 0.3 0.3 5 0 500 17.8 0 5 0 5000 4 900 18 0.5 16.3 0.5 5 14.1 0.3 0.4 200 0 5000 1 900 # 8.3 Quartz SiO2 +Albite 3350 2500 1680 1200 3100 14.6 0.5 0.4 0.4 0.4 0.5 16.8 0.15 4 0.15 200 3 900 16.05 0.6 14.7 0.5 5 15.4 0.3 0.1 12 0.5 5 3 900 # 1.6 Albite NaAlSi3O8 +Quartz 3890 0 2200 2000 3320 18.4 0.3 0.3 5 0 500 17.8 0 5 0 5000 4 900 18 0.5 16.3 0.5 5 14.1 0.3 0.4 200 0 5000 1 900 # 8.3 Quartz SiO2 RATE_PARAMETERS_HERMANSKA