diff --git a/CMakeLists.txt b/CMakeLists.txt index 45be2435d..2205f28ba 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -2,7 +2,7 @@ cmake_minimum_required(VERSION 3.3) project(phreeqc) -# overide docdir on windows +# override docdir on windows if(WIN32 AND NOT CMAKE_INSTALL_DOCDIR) set(CMAKE_INSTALL_DOCDIR "" CACHE PATH "documentation root (doc)") set(CMAKE_INSTALL_DOCDIR "doc") diff --git a/Clara-PEST/beopest_1Dmodel.bat b/Clara-PEST/beopest_1Dmodel.bat index 9bfea0a11..bf47302a4 100644 --- a/Clara-PEST/beopest_1Dmodel.bat +++ b/Clara-PEST/beopest_1Dmodel.bat @@ -1,7 +1,7 @@ @echo off SETLOCAL -REM Sychronize latest WEBMOD executable, create the tsproc and PEST command files, and start beopest as master +REM Synchronize latest WEBMOD executable, create the tsproc and PEST command files, and start beopest as master REM Help printed if command entered with no arguments IF %1.==. GOTO :USAGE diff --git a/HTMLversion/HTML/fixup_html.bash b/HTMLversion/HTML/fixup_html.bash index 07b7c411f..ff63edc1e 100644 --- a/HTMLversion/HTML/fixup_html.bash +++ b/HTMLversion/HTML/fixup_html.bash @@ -58,7 +58,7 @@ echo Done Example 19 egrep '' -v > temp3; mv temp3 phreeqc3.htm #echo -#echo "(1) Need to mannually delete extra table of contents in phreeqc3.htm" +#echo "(1) Need to manually delete extra table of contents in phreeqc3.htm" echo echo "(1) Compile HTML, double click on phreeqc3.hhp and hit compile button" diff --git a/Mueller/python_source/advect_only.py b/Mueller/python_source/advect_only.py index 289174df0..537567e4d 100644 --- a/Mueller/python_source/advect_only.py +++ b/Mueller/python_source/advect_only.py @@ -1,6 +1,6 @@ """Advection with COM server. -Using MODFIY we update the concentration on every +Using MODIFY we update the concentration on every time step. We shift by one cell per step. """ @@ -184,14 +184,14 @@ def main(ncells, shifts): """ def measure_time(func, *args, **kwargs): - """Convinience function to measure run times. + """Convenience function to measure run times. """ import sys if sys.platform == 'win32': # time.clock is more accurate on Windows timer_func = time.clock else: - # but behaves differently on other platfroms + # but behaves differently on other platforms timer_func = time.time start = timer_func() result = func(*args, **kwargs) diff --git a/Version3/Review/ex/ex12 b/Version3/Review/ex/ex12 index 448a7bb69..2b17ae806 100644 --- a/Version3/Review/ex/ex12 +++ b/Version3/Review/ex/ex12 @@ -79,7 +79,7 @@ TRANSPORT # Diffuse 24C, NaCl solution from column end USER_GRAPH Example 12 -headings Na Cl Temp Analytical -chart_title "Diffusion of Solutes and Heat" - -axis_titles "DISTANCE, IN METERS" "MILLIMOLES PER KILOGRAM WATER", "DEGREES CELCIUS" + -axis_titles "DISTANCE, IN METERS" "MILLIMOLES PER KILOGRAM WATER", "DEGREES CELSIUS" -axis_scale x_axis 0 20 -axis_scale y_axis 0 25 -axis_scale sy_axis 0 25 diff --git a/Version3/ex/ex12 b/Version3/ex/ex12 index 448a7bb69..2b17ae806 100644 --- a/Version3/ex/ex12 +++ b/Version3/ex/ex12 @@ -79,7 +79,7 @@ TRANSPORT # Diffuse 24C, NaCl solution from column end USER_GRAPH Example 12 -headings Na Cl Temp Analytical -chart_title "Diffusion of Solutes and Heat" - -axis_titles "DISTANCE, IN METERS" "MILLIMOLES PER KILOGRAM WATER", "DEGREES CELCIUS" + -axis_titles "DISTANCE, IN METERS" "MILLIMOLES PER KILOGRAM WATER", "DEGREES CELSIUS" -axis_scale x_axis 0 20 -axis_scale y_axis 0 25 -axis_scale sy_axis 0 25 diff --git a/build/dist.sh b/build/dist.sh index 59c04f2ed..751e45b22 100644 --- a/build/dist.sh +++ b/build/dist.sh @@ -17,7 +17,7 @@ # from the top-level of a branches/0.24.2 working copy will create # the 0.24.2 release tarball. # -# When building a alpha, beta or rc tarballs pass the apppropriate flag +# When building a alpha, beta or rc tarballs pass the appropriate flag # followed by the number for that release. For example you'd do # the following for a Beta 1 release: # ./dist.sh -v 1.1.0 -r 10277 -pr branches/1.1.x -beta 1 diff --git a/database/Kinec.v2.dat b/database/Kinec.v2.dat index 3b7166ba3..e4c1339b9 100644 --- a/database/Kinec.v2.dat +++ b/database/Kinec.v2.dat @@ -7407,7 +7407,7 @@ Si1.00Al0.23O2(OH)0.69 + 0.23 OH- = 0.23 Al(OH)4- + SiO2 # Additional phases ##Non-silicate minerals including carbonate, sulfide, phosphate, halide, and oxy-hydroxide minerals#### # 16 added solids -# The thermodynmaic propeties are from the llnl.data database expet for Gaspite +# The thermodynmaic properties are from the llnl.data database export for Gaspite #------------ diff --git a/database/Kinec_v3.dat b/database/Kinec_v3.dat index d782d182b..fd613fd78 100644 --- a/database/Kinec_v3.dat +++ b/database/Kinec_v3.dat @@ -32,7 +32,7 @@ #KINETICS #Augite_ss # Name of the mineral -# -formula Mg0.45Fe0.275Ca0.275SiO3 1 # Mineral formula ! must be added to run solid soultions. +# -formula Mg0.45Fe0.275Ca0.275SiO3 1 # Mineral formula ! must be added to run solid solutions. # -m0 100 # Initial moles of mineral # -parms 0 0.0088183 0 2 # Four parameters as explained below @@ -57,7 +57,7 @@ # # and # -# Oelkers, E.H., Addassi, M. 2024. A comprehensive and internally consistent mineral dissolution rate database: Part III: Non-silicate minerals including carbonate, sulfide, phosphate, halide, and oxy-hydroxide minerals. (in preperation) +# Oelkers, E.H., Addassi, M. 2024. A comprehensive and internally consistent mineral dissolution rate database: Part III: Non-silicate minerals including carbonate, sulfide, phosphate, halide, and oxy-hydroxide minerals. (in preparation) # ********************************************************************* # # Thermodynamics from carbfix.dat (Voigt et al., 2018). @@ -89,7 +89,7 @@ # HOK+98: http://dx.doi.org/10.1016/S0016-7037(97)00219-6 (C2H6(g), C3H8(g)) # Hovis04: http://dx.doi.org/10.2138/am-2004-0111 (NH4-muscovite molar volume) # HSS95: http://dx.doi.org/10.1016/0016-7037(95)00314-P (55 solutes) -# Joh90: Johnson, J.W., 1990, Personal calculation, Parameters given provide smooth metastable extrapolation of one-bar steam properties predicted by the Haar et al. (1984) equation of state to temperatures < the saturation temperature (99.632 C): Earch Sci. Dept, LLNL, Livermore, CA. (H2O(g)) +# Joh90: Johnson, J.W., 1990, Personal calculation, Parameters given provide smooth metastable extrapolation of one-bar steam properties predicted by the Haar et al. (1984) equation of state to temperatures < the saturation temperature (99.632 C): Earth Sci. Dept, LLNL, Livermore, CA. (H2O(g)) # Kel60: http://www.worldcat.org/oclc/693388901 (8 gases) # M13: McColm I. J. (2013) Dictionary of Ceramic Science and Engineering, p.72. (CaUO4 molar volume) # Marion+03: http://dx.doi.org/10.1016/S0016-7037(03)00372-7 (FeOH+) @@ -7527,7 +7527,7 @@ Si1.00Al0.23O2(OH)0.69 + 0.23 OH- = 0.23 Al(OH)4- + SiO2 # Additional phases ##Non-silicate minerals including carbonate, sulfide, phosphate, halide, and oxy-hydroxide minerals#### # 16 added solids -# The thermodynmaic propeties are from the llnl.data database expet for Gaspite +# The thermodynmaic properties are from the llnl.data database export for Gaspite #------------ diff --git a/database/OtherDatabases/CEMDATA18-31-03-2022-phaseVol.dat b/database/OtherDatabases/CEMDATA18-31-03-2022-phaseVol.dat index 14c260118..1006f59b5 100644 --- a/database/OtherDatabases/CEMDATA18-31-03-2022-phaseVol.dat +++ b/database/OtherDatabases/CEMDATA18-31-03-2022-phaseVol.dat @@ -14,7 +14,7 @@ # update 03.12.2018 - added missing phases: zeoliteP_Ca, chabazite, M075SH, M15SH, zeoliteX, natrolite, zeoliteY # update 08.01.2019 - corrected INFCNA formula and reaction; 23.09.2019 fixed logK to 17.4787 # update 16.01.2019 - fixed a3 parameter from the logK analytical function (wrong converted from A[3]*ln(T) GEMS to -# phreeqc A[3]*log10(T); for phases aded in update update 03.12.2018) +# phreeqc A[3]*log10(T); for phases added in update 03.12.2018) # update 31.03.2022 - added missing C4FeCl2H10 (Fe Friedel's salt ideal composition) and reactions for Fe(OH)3(am) and Fe(OH)3(mic) with original source # Hummel et al. (2002) Nagra/PSI Chemical Thermodynamic Data Base 01/01. Nagra Technical Report NTB 02-16 # diff --git a/database/OtherDatabases/CEMDATA18.1-16-01-2019-phaseVol.dat b/database/OtherDatabases/CEMDATA18.1-16-01-2019-phaseVol.dat index 4bbf109d5..c27d0cd5f 100644 --- a/database/OtherDatabases/CEMDATA18.1-16-01-2019-phaseVol.dat +++ b/database/OtherDatabases/CEMDATA18.1-16-01-2019-phaseVol.dat @@ -14,7 +14,7 @@ # update 03.12.2018 - added missing phases: zeoliteP_Ca, chabazite, M075SH, M15SH, zeoliteX, natrolite, zeoliteY # update 08.01.2019 - corrected INFCNA formula and reaction # update 16.01.2019 - fixed a3 parameter from the logK analytical function (wrong converted from A[3]*ln(T) GEMS to -# phreeqc A[3]*log10(T); for phases aded in update update 03.12.2018) +# phreeqc A[3]*log10(T); for phases added in update 03.12.2018) # # for questions contact: Barbara Lothenbach (barbara.lothenbach@empa.ch); G. Dan Miron (dan.miron@psi.ch) diff --git a/database/OtherDatabases/PKDLM_BRGM_database_phreeqc_ThermoddemV1.10_06Jun2017.dat b/database/OtherDatabases/PKDLM_BRGM_database_phreeqc_ThermoddemV1.10_06Jun2017.dat index 0a05be585..48cead3a5 100644 --- a/database/OtherDatabases/PKDLM_BRGM_database_phreeqc_ThermoddemV1.10_06Jun2017.dat +++ b/database/OtherDatabases/PKDLM_BRGM_database_phreeqc_ThermoddemV1.10_06Jun2017.dat @@ -12434,7 +12434,7 @@ References # 08bas/pet Basciano L.C., Peterson R.C. (2008) Amer. Mineral., 93, 853-862 # 08bla Blanc P. (2008) : Thermoddem - Selection de proprietes thermodynamiques pour les principales especes aqueuses et minerales porteuses de fer. Rapport final. Rapport BRGM/RP-56587-FR, 70p. # 08gai Gailhanou H. (2008) : Thermochimie : Acquisition des proprietes thermodynamiques sur une berthierine et revision des donnees sur les mineraux argileux. Rapport final BRGM/RP-56838-FR -# 08las Lassin A., 2008, personnal calculations. +# 08las Lassin A., 2008, personal calculations. # 08per/pok Perfetti E., Pokrovski G., Ballerat-Busserolles K., Majer V., Gibert F. (2008) Densities and heat capacities of aqueous arsenious and arsenic acid solutions to 350 C and 300 bar, and revised thermodynamic properties of As(OH)3(aq), AsO(OH)3(aq) and iron sulfarsenide minerals. Geochimica et Cosmochimica Acta 72, 713-731 # 08sch/lot Schmidt, T., Lothenbach, B., Romer, M., Scrivener, K.L., Rentsch, D., Figi, R. (2008), A thermodynamic and experimental study of the conditions of thaumasite formation, Cement and Concrete Research, 38(3), 337-349. # 08vie Vieillard P., 2008. Estimation des entropies et capacites calorifiques des zeolithes. Rapport CNRS-Hydrasa 2008, 29 p. @@ -12814,7 +12814,7 @@ References # 15bla/vie Blanc, P., Vieillard, P., Gailhanou, H., Gaboreau, S., Gaucher, E.C., Fialips, C.I., Made, B., Giffaut, E., 2015. A generalized model for predicting the thermodynamic properties of clay minerals. American Journal of Science 315, 734-780. # 17bbla Blanc P., 2017 D3E/BGE N 2017-077 (Compte-rendu de reunion), 17 p. # 16bla Blanc P., (2016) Biomore WP1 progress report -# 17roo/vie Roosz et al., 2017. Thermodynamic properties of C-(A)-S-H and M-S-H phases: results from direct measurements and predictive modelling. Applied Geochemistry, submited +# 17roo/vie Roosz et al., 2017. Thermodynamic properties of C-(A)-S-H and M-S-H phases: results from direct measurements and predictive modelling. Applied Geochemistry, submitted # 07pow/bro Powell, K.J., Brown, P.L., Byrne, R.H., Gadja, T., Hefter, G., Sjoberg, S., Wanner, H., 2007. Chemical speciation of environmentally significant metals with inorganic ligands Part 2 : The Cu[2+]-OH[-], Cl[-], CO[3][2-], SO[4][2-], and PO[4][3-] systems : (IUPAC Technical Report). Pure and applied chemistry, USA. # 00pui Puigdomenech, I., 2000. Thermodynamic data for copper: implications for the corrosion of copper under repository conditions, SKB report. SKB/Swedish Nuclear Fuel and Waste Management, p. 96. # 09xio Xiong, Y., 2009. The aqueous geochemistry of thallium: speciation and solubility of thallium in low temperature systems. Environmental Chemistry 6, 441-451. diff --git a/database/OtherDatabases/THEREDA_2020_PHRQ.dat b/database/OtherDatabases/THEREDA_2020_PHRQ.dat index ab7f51603..b0ac7e7ae 100644 --- a/database/OtherDatabases/THEREDA_2020_PHRQ.dat +++ b/database/OtherDatabases/THEREDA_2020_PHRQ.dat @@ -1936,7 +1936,7 @@ K+ = K+ # calculation mode: Entered # datatype category: R (Reaction Data) # evaluation data quality, data class, data source: 1, 1, 4 - # data description: Application of the chemcial model of Th(IV); Pu(IV) complex could not be identified by EXAFS + # data description: Application of the chemical model of Th(IV); Pu(IV) complex could not be identified by EXAFS # contrary to the Th(IV) complex (and the Zr(IV) complex Ca3[Zr(OH)6]4+) which could be identified and # characterized by EXAFS measurements # LOGK298 value reference: FEL/NEC2010 @@ -2672,7 +2672,7 @@ PHASES # S298 = 669 J mol-1 K-1, GUI/FAN2003 - # pcon description (Al(OH)3(am)): amorphous Al(OH)3 as decribed in CEMDATA07 original reaction in CEMDATA07 with LOGK298 = 0.24 + # pcon description (Al(OH)3(am)): amorphous Al(OH)3 as described in CEMDATA07 original reaction in CEMDATA07 with LOGK298 = 0.24 Al(OH)3(am) 1 Al(OH)3 = +1.00000000 Al(OH)4- -1.00000000 H2O +1.00000000 H+ log_k -13.759 @@ -19892,7 +19892,7 @@ O2 Na+ Mg+2 -0.01709 # Volume: 40 # Page: 980-990 # Doi: 10.1016/j.jct.2008.02.006 -# Puburl: hhttp://www.sciencedirect.com/science/article/pii/S0021961408000426ttp://www.sciencedirect.com/science/article/B6WHM-4RW43BP-3/2/8053c8459b4ca70d64e52142d205fde6 +# Puburl: http://www.sciencedirect.com/science/article/pii/S0021961408000426ttp://www.sciencedirect.com/science/article/B6WHM-4RW43BP-3/2/8053c8459b4ca70d64e52142d205fde6 # YOU/BAT1981 # Type: Book @@ -20187,7 +20187,7 @@ O2 Na+ Mg+2 -0.01709 # STE/HOO1944 # Type: Journal # Language: English -# Title: The heat capacity of potassium dihydrogen phosphate from 15 to 300K. The anormaly at the curie temperature +# Title: The heat capacity of potassium dihydrogen phosphate from 15 to 300K. The anomaly at the curie temperature # Author: Hooley, J. G., Stephenson, C. C. # Pubname: Journal of the American Chemical Society # Year: 1944 diff --git a/database/OtherDatabases/ThermoChimie_PhreeqC_SIT_electron_v10a.dat b/database/OtherDatabases/ThermoChimie_PhreeqC_SIT_electron_v10a.dat index 20f07abd7..ea7b39567 100644 --- a/database/OtherDatabases/ThermoChimie_PhreeqC_SIT_electron_v10a.dat +++ b/database/OtherDatabases/ThermoChimie_PhreeqC_SIT_electron_v10a.dat @@ -3459,7 +3459,7 @@ SOLUTION_SPECIES -analytic 7.78E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 - log_k 1.210 #09RAO/TIA1 (Calculated usig SIT) + log_k 1.210 #09RAO/TIA1 (Calculated using SIT) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 @@ -6201,7 +6201,7 @@ SOLUTION_SPECIES -analytic 2.42556E+0 0E+0 -2.24374E+3 0E+0 0E+0 1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 - log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.210 #Estimated by correlation with An(VI) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 @@ -7659,7 +7659,7 @@ SOLUTION_SPECIES -analytic 9.73237E+0 0E+0 -9.84603E+2 0E+0 0E+0 1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 - log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO1 + log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO1 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 @@ -10771,7 +10771,7 @@ Cm = 3.000e- + 1.000Cm+3 Cm2(CO3)3(am) Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 - log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.900 #estimated in analogy with Ln(III) and Am(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 diff --git a/database/OtherDatabases/Thermochimie_PhreeqC_eDH_oxygen_v10a.dat b/database/OtherDatabases/Thermochimie_PhreeqC_eDH_oxygen_v10a.dat index 0345012fd..91c37a9e2 100644 --- a/database/OtherDatabases/Thermochimie_PhreeqC_eDH_oxygen_v10a.dat +++ b/database/OtherDatabases/Thermochimie_PhreeqC_eDH_oxygen_v10a.dat @@ -3430,7 +3430,7 @@ SOLUTION_SPECIES 1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 -llnl_gamma 5.7 - log_k 1.210 #09RAO/TIA1 (Calculated usig SIT) + log_k 1.210 #09RAO/TIA1 (Calculated using SIT) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 @@ -6692,7 +6692,7 @@ SOLUTION_SPECIES 1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 -llnl_gamma 3.4 - log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.210 #Estimated by correlation with An(VI) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 @@ -8393,7 +8393,7 @@ SOLUTION_SPECIES 1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 -llnl_gamma 5.7 - log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO1 + log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO1 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 @@ -11759,7 +11759,7 @@ Cm = 1.000Cm+3 + 1.500H2O - 3.000H+ - 0.750O2 Cm2(CO3)3(am) Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 - log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.900 #estimated in analogy with Ln(III) and Am(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 diff --git a/database/OtherDatabases/ThermoddemV1.10_15Dec2020.dat b/database/OtherDatabases/ThermoddemV1.10_15Dec2020.dat index f54b52114..bac2673f3 100644 --- a/database/OtherDatabases/ThermoddemV1.10_15Dec2020.dat +++ b/database/OtherDatabases/ThermoddemV1.10_15Dec2020.dat @@ -12554,7 +12554,7 @@ References # 08bas/pet Basciano L.C., Peterson R.C. (2008) Amer. Mineral., 93, 853-862 # 08bla Blanc P. (2008) : Thermoddem - Selection de proprietes thermodynamiques pour les principales especes aqueuses et minerales porteuses de fer. Rapport final. Rapport BRGM/RP-56587-FR, 70p. # 08gai Gailhanou H. (2008) : Thermochimie : Acquisition des proprietes thermodynamiques sur une berthierine et revision des donnees sur les mineraux argileux. Rapport final BRGM/RP-56838-FR -# 08las Lassin A., 2008, personnal calculations. +# 08las Lassin A., 2008, personal calculations. # 08per/pok Perfetti E., Pokrovski G., Ballerat-Busserolles K., Majer V., Gibert F. (2008) Densities and heat capacities of aqueous arsenious and arsenic acid solutions to 350 C and 300 bar, and revised thermodynamic properties of As(OH)3(aq), AsO(OH)3(aq) and iron sulfarsenide minerals. Geochimica et Cosmochimica Acta 72, 713-731 # 08sch/lot Schmidt, T., Lothenbach, B., Romer, M., Scrivener, K.L., Rentsch, D., Figi, R. (2008), A thermodynamic and experimental study of the conditions of thaumasite formation, Cement and Concrete Research, 38(3), 337-349. # 08vie Vieillard P., 2008. Estimation des entropies et capacites calorifiques des zeolithes. Rapport CNRS-Hydrasa 2008, 29 p. @@ -12588,7 +12588,7 @@ References # 17abla Blanc P. (2017) Selection de proprietes thermodynamiques pour les principales especes aqueuses et minerales porteuses de thallium. Rapport final. Rapport BRGM 66385-FR. # 17bbla Blanc P. (2017) - Thermoddem : Update for the 2017 version. Report BRGM/RP-66811-FR, 20 p. # 17gai/vie Gailhanou, H., Vieillard, P., Blanc, P., Lassin, A., Denoyel, R., Bloch, E., De Weireld, G., Claret, F., Fialips, C.I., Made, B., Giffaut, E., 2017. Methodology for determining the thermodynamic properties of hydration of Na-smectite considering the energetic contribution of capillary water. Applied Geochemistry. -# 18roo/vie Roosz et al., 2017. Thermodynamic properties of C-(A)-S-H and M-S-H phases: results from direct measurements and predictive modelling. Applied Geochemistry, submited +# 18roo/vie Roosz et al., 2017. Thermodynamic properties of C-(A)-S-H and M-S-H phases: results from direct measurements and predictive modelling. Applied Geochemistry, submitted # 18nea NEA, 2018. Forthcoming TDB selection on cement minerals # 18sig SIGARRR, 2018. Forthcoming results from the project. # 33dan D'Ans J., 1933. Die Losegleichgewichte der Systeme der Salze ozeanischer Salzablagerungen. Kaliorschungs Anstalt GmbH, Berlin Verlagsgesellschaft fur Ackerbau MBH, Berlin SW11 diff --git a/database/OtherDatabases/thermochemie/ThermoChimie_PhreeqC_SIT_electron_v10a.dat b/database/OtherDatabases/thermochemie/ThermoChimie_PhreeqC_SIT_electron_v10a.dat index 20f07abd7..ea7b39567 100644 --- a/database/OtherDatabases/thermochemie/ThermoChimie_PhreeqC_SIT_electron_v10a.dat +++ b/database/OtherDatabases/thermochemie/ThermoChimie_PhreeqC_SIT_electron_v10a.dat @@ -3459,7 +3459,7 @@ SOLUTION_SPECIES -analytic 7.78E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 - log_k 1.210 #09RAO/TIA1 (Calculated usig SIT) + log_k 1.210 #09RAO/TIA1 (Calculated using SIT) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 @@ -6201,7 +6201,7 @@ SOLUTION_SPECIES -analytic 2.42556E+0 0E+0 -2.24374E+3 0E+0 0E+0 1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 - log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.210 #Estimated by correlation with An(VI) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 @@ -7659,7 +7659,7 @@ SOLUTION_SPECIES -analytic 9.73237E+0 0E+0 -9.84603E+2 0E+0 0E+0 1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 - log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO1 + log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO1 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 @@ -10771,7 +10771,7 @@ Cm = 3.000e- + 1.000Cm+3 Cm2(CO3)3(am) Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 - log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.900 #estimated in analogy with Ln(III) and Am(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 diff --git a/database/OtherDatabases/thermochemie/ThermoChimie_PhreeqC_SIT_oxygen_v10a.dat b/database/OtherDatabases/thermochemie/ThermoChimie_PhreeqC_SIT_oxygen_v10a.dat index c34f5eee0..ce39a40dd 100644 --- a/database/OtherDatabases/thermochemie/ThermoChimie_PhreeqC_SIT_oxygen_v10a.dat +++ b/database/OtherDatabases/thermochemie/ThermoChimie_PhreeqC_SIT_oxygen_v10a.dat @@ -3459,7 +3459,7 @@ SOLUTION_SPECIES -analytic 7.78E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 - log_k 1.210 #09RAO/TIA1 (Calculated usig SIT) + log_k 1.210 #09RAO/TIA1 (Calculated using SIT) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 @@ -6201,7 +6201,7 @@ SOLUTION_SPECIES -analytic 2.42556E+0 0E+0 -2.24374E+3 0E+0 0E+0 1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 - log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.210 #Estimated by correlation with An(VI) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 @@ -7659,7 +7659,7 @@ SOLUTION_SPECIES -analytic 9.73237E+0 0E+0 -9.84603E+2 0E+0 0E+0 1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 - log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO1 + log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO1 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 @@ -10771,7 +10771,7 @@ Cm = 1.000Cm+3 + 1.500H2O - 3.000H+ - 0.750O2 Cm2(CO3)3(am) Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 - log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.900 #estimated in analogy with Ln(III) and Am(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 diff --git a/database/OtherDatabases/thermochemie/Thermochimie_PhreeqC_Davies_electron_v10a.dat b/database/OtherDatabases/thermochemie/Thermochimie_PhreeqC_Davies_electron_v10a.dat index 844328385..9fad9dabf 100644 --- a/database/OtherDatabases/thermochemie/Thermochimie_PhreeqC_Davies_electron_v10a.dat +++ b/database/OtherDatabases/thermochemie/Thermochimie_PhreeqC_Davies_electron_v10a.dat @@ -3430,7 +3430,7 @@ SOLUTION_SPECIES 1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 #-llnl_gamma 5.7 - log_k 1.210 #09RAO/TIA1 (Calculated usig SIT) + log_k 1.210 #09RAO/TIA1 (Calculated using SIT) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 @@ -6692,7 +6692,7 @@ SOLUTION_SPECIES 1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 #-llnl_gamma 3.4 - log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.210 #Estimated by correlation with An(VI) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 @@ -8393,7 +8393,7 @@ SOLUTION_SPECIES 1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 #-llnl_gamma 5.7 - log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO1 + log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO1 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 @@ -11759,7 +11759,7 @@ Cm = 3.000e- + 1.000Cm+3 Cm2(CO3)3(am) Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 - log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.900 #estimated in analogy with Ln(III) and Am(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 diff --git a/database/OtherDatabases/thermochemie/Thermochimie_PhreeqC_Davies_oxygen_v10a.dat b/database/OtherDatabases/thermochemie/Thermochimie_PhreeqC_Davies_oxygen_v10a.dat index db5f492bc..5b446588d 100644 --- a/database/OtherDatabases/thermochemie/Thermochimie_PhreeqC_Davies_oxygen_v10a.dat +++ b/database/OtherDatabases/thermochemie/Thermochimie_PhreeqC_Davies_oxygen_v10a.dat @@ -3430,7 +3430,7 @@ SOLUTION_SPECIES 1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 #-llnl_gamma 5.7 - log_k 1.210 #09RAO/TIA1 (Calculated usig SIT) + log_k 1.210 #09RAO/TIA1 (Calculated using SIT) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 @@ -6692,7 +6692,7 @@ SOLUTION_SPECIES 1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 #-llnl_gamma 3.4 - log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.210 #Estimated by correlation with An(VI) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 @@ -8393,7 +8393,7 @@ SOLUTION_SPECIES 1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 #-llnl_gamma 5.7 - log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO1 + log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO1 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 @@ -11759,7 +11759,7 @@ Cm = 1.000Cm+3 + 1.500H2O - 3.000H+ - 0.750O2 Cm2(CO3)3(am) Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 - log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.900 #estimated in analogy with Ln(III) and Am(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 diff --git a/database/OtherDatabases/thermochemie/Thermochimie_PhreeqC_eDH_electron_v10a.dat b/database/OtherDatabases/thermochemie/Thermochimie_PhreeqC_eDH_electron_v10a.dat index 68c80f965..0d812de2d 100644 --- a/database/OtherDatabases/thermochemie/Thermochimie_PhreeqC_eDH_electron_v10a.dat +++ b/database/OtherDatabases/thermochemie/Thermochimie_PhreeqC_eDH_electron_v10a.dat @@ -3430,7 +3430,7 @@ SOLUTION_SPECIES 1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 -llnl_gamma 5.7 - log_k 1.210 #09RAO/TIA1 (Calculated usig SIT) + log_k 1.210 #09RAO/TIA1 (Calculated using SIT) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 @@ -6692,7 +6692,7 @@ SOLUTION_SPECIES 1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 -llnl_gamma 3.4 - log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.210 #Estimated by correlation with An(VI) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 @@ -8393,7 +8393,7 @@ SOLUTION_SPECIES 1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 -llnl_gamma 5.7 - log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO1 + log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO1 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 @@ -11759,7 +11759,7 @@ Cm = 3.000e- + 1.000Cm+3 Cm2(CO3)3(am) Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 - log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.900 #estimated in analogy with Ln(III) and Am(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 diff --git a/database/OtherDatabases/thermochemie/Thermochimie_PhreeqC_eDH_oxygen_v10a.dat b/database/OtherDatabases/thermochemie/Thermochimie_PhreeqC_eDH_oxygen_v10a.dat index 0345012fd..91c37a9e2 100644 --- a/database/OtherDatabases/thermochemie/Thermochimie_PhreeqC_eDH_oxygen_v10a.dat +++ b/database/OtherDatabases/thermochemie/Thermochimie_PhreeqC_eDH_oxygen_v10a.dat @@ -3430,7 +3430,7 @@ SOLUTION_SPECIES 1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 -llnl_gamma 5.7 - log_k 1.210 #09RAO/TIA1 (Calculated usig SIT) + log_k 1.210 #09RAO/TIA1 (Calculated using SIT) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 @@ -6692,7 +6692,7 @@ SOLUTION_SPECIES 1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 -llnl_gamma 3.4 - log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.210 #Estimated by correlation with An(VI) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 @@ -8393,7 +8393,7 @@ SOLUTION_SPECIES 1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 -llnl_gamma 5.7 - log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO1 + log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO1 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 @@ -11759,7 +11759,7 @@ Cm = 1.000Cm+3 + 1.500H2O - 3.000H+ - 0.750O2 Cm2(CO3)3(am) Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 - log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.900 #estimated in analogy with Ln(III) and Am(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 diff --git a/database/OtherDatabases/thermochemie/sit.dat b/database/OtherDatabases/thermochemie/sit.dat index ff94920ab..90697134a 100644 --- a/database/OtherDatabases/thermochemie/sit.dat +++ b/database/OtherDatabases/thermochemie/sit.dat @@ -3493,7 +3493,7 @@ SOLUTION_SPECIES -analytic 7.78E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 - log_k 1.210 #09RAO/TIA1 (Calculated usig SIT) + log_k 1.210 #09RAO/TIA1 (Calculated using SIT) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 @@ -6277,7 +6277,7 @@ SOLUTION_SPECIES -analytic 2.42573E+0 0E+0 -2.2438E+3 0E+0 0E+0 1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 - log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.210 #Estimated by correlation with An(VI) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 @@ -7740,7 +7740,7 @@ SOLUTION_SPECIES -analytic 9.73237E+0 0E+0 -9.84603E+2 0E+0 0E+0 1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 - log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO1 + log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO1 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 @@ -10648,7 +10648,7 @@ Cm = 1.000Cm+3 + 1.500H2O - 3.000H+ - 0.750O2 Cm2(CO3)3(am) Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 - log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.900 #estimated in analogy with Ln(III) and Am(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 diff --git a/database/PHREEQC_ThermoddemV1.10_15Dec2020.dat b/database/PHREEQC_ThermoddemV1.10_15Dec2020.dat index 35f3d2b89..e0899d967 100644 --- a/database/PHREEQC_ThermoddemV1.10_15Dec2020.dat +++ b/database/PHREEQC_ThermoddemV1.10_15Dec2020.dat @@ -12554,7 +12554,7 @@ References # 08bas/pet Basciano L.C., Peterson R.C. (2008) Amer. Mineral., 93, 853-862 # 08bla Blanc P. (2008) : Thermoddem - Selection de proprietes thermodynamiques pour les principales especes aqueuses et minerales porteuses de fer. Rapport final. Rapport BRGM/RP-56587-FR, 70p. # 08gai Gailhanou H. (2008) : Thermochimie : Acquisition des proprietes thermodynamiques sur une berthierine et revision des donnees sur les mineraux argileux. Rapport final BRGM/RP-56838-FR -# 08las Lassin A., 2008, personnal calculations. +# 08las Lassin A., 2008, personal calculations. # 08per/pok Perfetti E., Pokrovski G., Ballerat-Busserolles K., Majer V., Gibert F. (2008) Densities and heat capacities of aqueous arsenious and arsenic acid solutions to 350 C and 300 bar, and revised thermodynamic properties of As(OH)3(aq), AsO(OH)3(aq) and iron sulfarsenide minerals. Geochimica et Cosmochimica Acta 72, 713-731 # 08sch/lot Schmidt, T., Lothenbach, B., Romer, M., Scrivener, K.L., Rentsch, D., Figi, R. (2008), A thermodynamic and experimental study of the conditions of thaumasite formation, Cement and Concrete Research, 38(3), 337-349. # 08vie Vieillard P., 2008. Estimation des entropies et capacites calorifiques des zeolithes. Rapport CNRS-Hydrasa 2008, 29 p. @@ -12571,7 +12571,7 @@ References # 11bla/las Blanc P., Lassin A. 2011. Thermoddem report 2011 # 11maj/dra Majzlan J, Drahota P, Filippi M, Novak M, Loun J and Grevel K-D 2011. Thermodynamics of Crystalline iron(III) Arsenates Scorodite, Kankite, and Bukovskyite. Goldschmidt 2011 Conference Abstract 1391 # 11pal/ben Palmer, D.A., Benezeth, P., Wesolowski, D.J., 2011. Solubility of Nickel Oxide and Hydroxide in Water, 14th International Conference on the Properties of Water and Steam, pp. 264-269. -# 11par/cor Parmentier M., Corvisier J., Chiquet P., Parra T. et Sterpenich J. 2011. La modelisation geochimique de la reactivite des gaz annexes co-injectes avec le CO2 : possibilites et limites des codes de calcul via une application. BRGM/RP-60605-FR +# 11par/cor Parmentier M., Corvisier J., Chiquet P., Parra T. et Sterpenich J. 2011. La modelisation geochimique de la reactivite des gaz annexes co-injectes avec le CO2 : possibilities et limites des codes de calcul via une application. BRGM/RP-60605-FR # 11sky Skyllberg, U., 2011. Chemical Speciation of Mercury in Soil and Sediment, Environmental Chemistry and Toxicology of Mercury. John Wiley and Sons, Inc., pp. 219-258. # 11vie/bla Vieillard, P., Blanc, P., Fialips, C.I., Gailhanou, H., Gaboreau, S., 2011. Hydration thermodynamics of the SWy-1 montmorillonite saturated with alkali and alkaline-earth cations: A predictive model. Geochimica et Cosmochimica Acta 75, 5664-5685. doi:10.1016/j.gca.2011.07.014 # 12bla Blanc P., 2012, Mercury associated physical and chemical constants: updating of the THERMODDEM database, IMaHg project, rapport BRGM RP-61299-FR, 32p @@ -12588,7 +12588,7 @@ References # 17abla Blanc P. (2017) Selection de proprietes thermodynamiques pour les principales especes aqueuses et minerales porteuses de thallium. Rapport final. Rapport BRGM 66385-FR. # 17bbla Blanc P. (2017) - Thermoddem : Update for the 2017 version. Report BRGM/RP-66811-FR, 20 p. # 17gai/vie Gailhanou, H., Vieillard, P., Blanc, P., Lassin, A., Denoyel, R., Bloch, E., De Weireld, G., Claret, F., Fialips, C.I., Made, B., Giffaut, E., 2017. Methodology for determining the thermodynamic properties of hydration of Na-smectite considering the energetic contribution of capillary water. Applied Geochemistry. -# 18roo/vie Roosz et al., 2017. Thermodynamic properties of C-(A)-S-H and M-S-H phases: results from direct measurements and predictive modelling. Applied Geochemistry, submited +# 18roo/vie Roosz et al., 2017. Thermodynamic properties of C-(A)-S-H and M-S-H phases: results from direct measurements and predictive modelling. Applied Geochemistry, submitted # 18nea NEA, 2018. Forthcoming TDB selection on cement minerals # 18sig SIGARRR, 2018. Forthcoming results from the project. # 33dan D'Ans J., 1933. Die Losegleichgewichte der Systeme der Salze ozeanischer Salzablagerungen. Kaliorschungs Anstalt GmbH, Berlin Verlagsgesellschaft fur Ackerbau MBH, Berlin SW11 diff --git a/database/SIT/ThermoChimie7d_sit_JUNE_2011.dat b/database/SIT/ThermoChimie7d_sit_JUNE_2011.dat index 99c2868b6..c1839e393 100644 --- a/database/SIT/ThermoChimie7d_sit_JUNE_2011.dat +++ b/database/SIT/ThermoChimie7d_sit_JUNE_2011.dat @@ -4633,7 +4633,7 @@ SOLUTION_SPECIES +1.000Sm+3 -1.000H+ +1.000H4(SiO4) = SmSiO(OH)3+2 - log_k -2.62 #Orginal data 07THA/SIN and 96JEN/CHO + log_k -2.62 #Original data 07THA/SIN and 96JEN/CHO #delta_h kJ/mol # # Enthalpy of formation: kJ/mol @@ -8006,7 +8006,7 @@ SOLUTION_SPECIES +1.000NpO2+2 -2.000H+ +2.000H2O = NpO2(OH)2 - log_k -12.21 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.21 #Estimated by correlation with An(VI) in function of ionic radii #delta_h kJ/mol # # Enthalpy of formation: kJ/mol @@ -13232,7 +13232,7 @@ CmOHCO3 = -1.000H+ +1.000CO3-2 +1.000Cm+3 +1.000H2O Cm2(CO3)3(am) Cm2(CO3)3 = +3.000CO3-2 +2.000Cm+3 - log_k -33.9 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.9 #estimated in analogy with Ln(III) and Am(III) #delta_h kJ/mol # # Enthalpy of formation: kJ/mol diff --git a/database/SIT/ThermoSIT.dat b/database/SIT/ThermoSIT.dat index 64464a1b9..f368f4453 100644 --- a/database/SIT/ThermoSIT.dat +++ b/database/SIT/ThermoSIT.dat @@ -4445,7 +4445,7 @@ SOLUTION_SPECIES +1.000Sm+3 -1.000H+ +1.000H4(SiO4) = SmSiO(OH)3+2 - log_k -2.62 #Orginal data 07THA/SIN and 96JEN/CHO + log_k -2.62 #Original data 07THA/SIN and 96JEN/CHO #delta_h kJ/mol # # Enthalpy of formation: kJ/mol @@ -7829,7 +7829,7 @@ SOLUTION_SPECIES +1.000NpO2+2 -2.000H+ +2.000H2O = NpO2(OH)2 - log_k -12.21 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.21 #Estimated by correlation with An(VI) in function of ionic radii #delta_h kJ/mol # # Enthalpy of formation: kJ/mol @@ -12979,7 +12979,7 @@ CmOHCO3 = -1.000H+ +1.000CO3-2 +1.000Cm+3 +1.000H2O Cm2(CO3)3(am) Cm2(CO3)3 = +3.000CO3-2 +2.000Cm+3 - log_k -33.9 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.9 #estimated in analogy with Ln(III) and Am(III) #delta_h kJ/mol # # Enthalpy of formation: kJ/mol diff --git a/database/SIT/sit-total.txt b/database/SIT/sit-total.txt index 8b286c1df..e00bda692 100644 --- a/database/SIT/sit-total.txt +++ b/database/SIT/sit-total.txt @@ -4448,7 +4448,7 @@ SOLUTION_SPECIES +1.000Sm+3 -1.000H+ +1.000H4(SiO4) = SmSiO(OH)3+2 - log_k -2.62 #Orginal data 07THA/SIN and 96JEN/CHO + log_k -2.62 #Original data 07THA/SIN and 96JEN/CHO #delta_h kJ/mol # # Enthalpy of formation: kJ/mol @@ -7838,7 +7838,7 @@ SOLUTION_SPECIES +1.000NpO2+2 -2.000H+ +2.000H2O = NpO2(OH)2 - log_k -12.21 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.21 #Estimated by correlation with An(VI) in function of ionic radii #delta_h kJ/mol # # Enthalpy of formation: kJ/mol @@ -13064,7 +13064,7 @@ CmOHCO3 = -1.000H+ +1.000CO3-2 +1.000Cm+3 +1.000H2O Cm2(CO3)3(am) Cm2(CO3)3 = +3.000CO3-2 +2.000Cm+3 - log_k -33.9 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.9 #estimated in analogy with Ln(III) and Am(III) #delta_h kJ/mol # # Enthalpy of formation: kJ/mol diff --git a/database/core10.dat b/database/core10.dat index 5b147d439..ebe2d7396 100644 --- a/database/core10.dat +++ b/database/core10.dat @@ -36,7 +36,7 @@ # HOK+98: http://dx.doi.org/10.1016/S0016-7037(97)00219-6 (C2H6(g), C3H8(g)) # Hovis04: http://dx.doi.org/10.2138/am-2004-0111 (NH4-muscovite molar volume) # HSS95: http://dx.doi.org/10.1016/0016-7037(95)00314-P (55 solutes) -# Joh90: Johnson, J.W., 1990, Personal calculation, Parameters given provide smooth metastable extrapolation of one-bar steam properties predicted by the Haar et al. (1984) equation of state to temperatures < the saturation temperature (99.632 C): Earch Sci. Dept, LLNL, Livermore, CA. (H2O(g)) +# Joh90: Johnson, J.W., 1990, Personal calculation, Parameters given provide smooth metastable extrapolation of one-bar steam properties predicted by the Haar et al. (1984) equation of state to temperatures < the saturation temperature (99.632 C): Earth Sci. Dept, LLNL, Livermore, CA. (H2O(g)) # Kel60: http://www.worldcat.org/oclc/693388901 (8 gases) # M13: McColm I. J. (2013) Dictionary of Ceramic Science and Engineering, p.72. (CaUO4 molar volume) # Marion+03: http://dx.doi.org/10.1016/S0016-7037(03)00372-7 (FeOH+) @@ -6821,4 +6821,4 @@ SO2(g) -P_c 77.67 -Omega 0.251 # http://webserver.dmt.upm.es/~isidoro/dat1/eGAS.pdf # Extrapol supcrt92 -# Ref WEP+82, Kel60 \ No newline at end of file +# Ref WEP+82, Kel60 diff --git a/database/frezchem.dat b/database/frezchem.dat index 6e6097f5e..fb7c3434d 100644 --- a/database/frezchem.dat +++ b/database/frezchem.dat @@ -577,7 +577,7 @@ END # Cold aqueous planetary geochemistry with FREZCHEM: From modeling to the search for life at the limits # Springer, Berlin/Heidelberg. # -#FREZCHEM was later adaped to the present frezchem.dat PHREEQC database by Toner and Sletten (2013): +#FREZCHEM was later adapted to the present frezchem.dat PHREEQC database by Toner and Sletten (2013): # # Toner, J. D., and R. S. Sletten (2013) # The formation of Ca-Cl enriched groundwaters in the Dry Valleys of Antarctica by cation exchange reactions: Field measurements and modeling of reactive transport diff --git a/database/phreeqc_rates.dat b/database/phreeqc_rates.dat index bd1eb6782..aa397b643 100644 --- a/database/phreeqc_rates.dat +++ b/database/phreeqc_rates.dat @@ -2998,7 +2998,7 @@ Wollastonite -6.97 700 56 0.4 0 0 # # 0.34 Mg+2 + 2 X_montm_mg-0.34 = Mg0.34X_montm_mg2 ; log_k -7.416 # -0.297 # # # 0.34 Ca+2 + 2 X_montm_mg-0.34 = Ca0.34X_montm_mg2 ; log_k -8.444 # -0.811 # -# # # The default exchanger X can be used, uncomment the follwing lines +# # # The default exchanger X can be used, uncomment the following lines # # # redefine f_Na in the rate... # # RATES # # Montmorillonite diff --git a/database/sit.dat b/database/sit.dat index a14fc99d9..91e80e4ce 100644 --- a/database/sit.dat +++ b/database/sit.dat @@ -3433,7 +3433,7 @@ Eu+3 + 2 Malonate-2 = Eu(Malonate)2- -analytic 77.8E-1 00E+0 00E+0 00E+0 00E+0 Eu+3 + NO3- = Eu(NO3)+2 - log_k 1.21 #09RAO/TIA1 (Calculated usig SIT) + log_k 1.21 #09RAO/TIA1 (Calculated using SIT) -analytic 12.1E-1 00E+0 00E+0 00E+0 00E+0 Eu+3 + Nta-3 = Eu(Nta) @@ -5657,7 +5657,7 @@ NpO2+2 - H+ + H2O = NpO2(OH)+ -analytic 24.25568E-1 00E+0 -22.43748E+2 00E+0 00E+0 NpO2+2 - 2 H+ + 2 H2O = NpO2(OH)2 - log_k -12.21 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.21 #Estimated by correlation with An(VI) in function of ionic radii -analytic -12.21E+0 00E+0 00E+0 00E+0 00E+0 NpO2+ - 2 H+ + 2 H2O = NpO2(OH)2- @@ -6924,7 +6924,7 @@ Sm+3 + 2 F- = SmF2+ -analytic 97.32378E-1 00E+0 -98.46041E+1 00E+0 00E+0 Sm+3 - H+ + H4(SiO4) = SmSiO(OH)3+2 - log_k -2.62 #Orginal data 07THA/SIN and 96JEN/CHO1 + log_k -2.62 #Original data 07THA/SIN and 96JEN/CHO1 -analytic -26.2E-1 00E+0 00E+0 00E+0 00E+0 Sn+2 + Cit-3 = Sn(Cit)- diff --git a/doc/README.Phreeqc.TXT b/doc/README.Phreeqc.TXT index 131dae21d..910bd0d71 100644 --- a/doc/README.Phreeqc.TXT +++ b/doc/README.Phreeqc.TXT @@ -221,7 +221,7 @@ D.4. Compile and install PHREEQC Phreeqc_2_1999_manual.pdf Manual for PHREEQC version 2 phreeqc.txt Short explanation for PHREEQC phreeqc3.chm Latest PHREEQC documentation - wrir02-4172.pdf Documenation of isotope calculations + wrir02-4172.pdf Documentation of isotope calculations Install\examples files: Input files for the 22 examples described in the version 3 manual @@ -332,7 +332,7 @@ E.8. Install the program. install/share/doc/phreeqc Phreeqc_3_2013_manual.pdf Manual for Phreeqc version 3 Phreeqc_2_1999_manual.pdf Manual for Phreeqc version 2 - wrir02-4172.pdf Documenation of isotope calculations + wrir02-4172.pdf Documentation of isotope calculations phreeqc.txt Short explanation for Phreeqc RELEASE Release notes README this readme file diff --git a/doc/RELEASE.TXT b/doc/RELEASE.TXT index 902b52a63..626f9c6e3 100644 --- a/doc/RELEASE.TXT +++ b/doc/RELEASE.TXT @@ -334,7 +334,7 @@ Anthophyllite -12.4 5.70E-04 52 0.4 -13.7 5.00E-06 48 Added Basic function f_visc("H+") that returns the fractional contribution of a species to viscosity of the solution when parameters are defined for the species with -viscosity. Actually, it gives the contribution of the species to the B and D terms in the Jones-Dole - eqution, assuming that the A term is small. The fractional contribution can be negative, for + equation, assuming that the A term is small. The fractional contribution can be negative, for example f_visc("K+") is usually less than zero. Bug-fix: When -Vm parameters of SOLUTION_SPECIES were read after -viscosity parameters, the @@ -599,7 +599,7 @@ Anthophyllite -12.4 5.70E-04 52 0.4 -13.7 5.00E-06 48 The YAML capability would be especially useful if a GUI (Graphical User Interface) is used to set up model initial conditions. The GUI could write a YAML file that contains directives for PhreeqcRM methods that need to be run and - the corresonding data needed to initialize a PhreeqcRM instance--for example, + the corresponding data needed to initialize a PhreeqcRM instance--for example, setting units; running a PHREEQC input file to define initial and boundary conditions; distribution of initial conditions to the model cells; setting initial porosity, saturation, temperature, and pressure. @@ -674,7 +674,7 @@ Anthophyllite -12.4 5.70E-04 52 0.4 -13.7 5.00E-06 48 identified by name. int GetVarNbytes(std::string name) - Returns the total number of bytes neded to store the value or vector + Returns the total number of bytes needed to store the value or vector of values identified by name. std::string GetVarType(std::string name) @@ -1110,7 +1110,7 @@ USER_PUNCH 2 related to the decay of the surface potential with distance from the surface. Theory says that the potential at distance d from the surface is equal to psi0*exp(d/DL), where psi0 is the surface potential and DL is - the Debye length. The lengh is inversely related to ionic strength. + the Debye length. The length is inversely related to ionic strength. Example: 10 DL = DEBYE_LENGTH @@ -1181,7 +1181,7 @@ Version 3.6.2: January 28, 2020 ---------------- January 28, 2020 ---------------- - PhreeqcRM: Documenation for Fortran RM_RunString had incorrect order for instances. + PhreeqcRM: Documentation for Fortran RM_RunString had incorrect order for instances. The order is workers, initial_phreeqc, utilities. ---------------- @@ -1862,7 +1862,7 @@ Version 3.4.0: November 9, 2017 (svn 12927) H+ = H+ -dw 9.31e-9 763 0.46 1e-10 - where the first number is the diffusion coeficient at 25 C, and the second number is a damping + where the first number is the diffusion coefficient at 25 C, and the second number is a damping factor for the temperature correction, as proposed by Smolyakov, according to Anderko and Lencka, 1997, Ind. Chem. Eng. Res. 36, 1932-1943: @@ -2465,7 +2465,7 @@ Version 3.2.2: August 24, 2015 svn 9998 -------- Pitzer.dat was adjusted to fit CO2 pressure and density by changing - Vm, analytical expression, and adding a CO2-CO2 iteraction parameter. + Vm, analytical expression, and adding a CO2-CO2 interaction parameter. -------- svn 9995 @@ -2517,7 +2517,7 @@ Version 3.2.1: July 7, 2015 -------- svn 9930 -------- - PhreeqcRM had a serious error in the convertion of units from transport + PhreeqcRM had a serious error in the conversion of units from transport to themodule. The error occurred when using H2O as a component and mg/L as the transport unit. @@ -2721,7 +2721,7 @@ Version 3.1.5: December 18, 2014 -------- svn 9000 -------- - Kinetic names were not saved correctly to allow unique retrival by name. + Kinetic names were not saved correctly to allow unique retrieval by name. The error could have lead to misidentification of kinetic reactions for a cell. @@ -2840,7 +2840,7 @@ Version 3.1.2: March 1, 2014 svn 8520 -------- - Changes in MCD to accomodate unequal cell lengths. + Changes in MCD to accommodate unequal cell lengths. -------- svn 8502 @@ -2949,7 +2949,7 @@ Version 3.1.1: December 6, 2013 automatic -reset false. A file may be defined for each SELECTED_OUTPUT n that will - recieve the output from the data block. Using i to + receive the output from the data block. Using i to represent a specific integer, USER_PUNCH i will write to the file defined for SELECTED_OUTPUT i. If USER_PUNCH i is defined, but SELECTED_OUTPUT i is not, then no data will @@ -2967,7 +2967,7 @@ Version 3.1.1: December 6, 2013 If SELECTED_OUTPUT i has been defined, a new data block of SELECTED_OUTPUT i will retain the previous definition if only -active and (or) -user_punch are defined. Defining - any other identifier will cause the old definiton + any other identifier will cause the old definition to be removed and its file closed; the data for SELECTED_OUTPUT i will be defined entirely by the new data block. @@ -3121,7 +3121,7 @@ Version 3.1.1: December 6, 2013 svn 7829 -------- - Added Basic fuction EQUIV_FRAC that returns the + Added Basic function EQUIV_FRAC that returns the equivalent fraction of a surface or exchange species. The three arguments are (1) Species name (input), @@ -3133,7 +3133,7 @@ Version 3.1.1: December 6, 2013 10 f = EQUIV_FRAC("AlX3", eq, x$) - f = equivlalent fraction of AlX3 relative to + f = equivalent fraction of AlX3 relative to total equivalents of X sites. eq = 3.0 x$ = "X" @@ -3154,7 +3154,7 @@ Version 3.1.1: December 6, 2013 svn 7828 -------- - Added Basic fuction SPECIES_FORMULA that returns the + Added Basic function SPECIES_FORMULA that returns the stoichiometry of an aqueous, exchange, or surface species. The function returns a string: "aq" for aqueous, "ex" for exchange, "surf" for surface, @@ -3477,7 +3477,7 @@ Version 2.18.0: April 9, 2011 This automatic adjustment is suggested rather than explicit definition of the initial guesses through SOLUTION_MODIFY; -activities. However, the -activities - identifier may be used and will supercede the automatic + identifier may be used and will supersede the automatic adjustment. The adjustment of the initial guesses for activities @@ -3717,7 +3717,7 @@ Version 2.18.0: April 9, 2011 The example below is indented to indicate which information is necessary to change a data item. - Working back through the indention levels for + Working back through the indentation levels for and item, each heading of a lower order is necessary to define the data item. In the example below, to change the number of moles of barite from @@ -4183,7 +4183,7 @@ Version 2.18.0: April 9, 2011 -------- svn 4830 -------- - Changed default for exchange species activty + Changed default for exchange species activity coefficients to be equal to the Pitzer aqueous activity coefficients when using Pitzer aqueous model. Default is @@ -4467,7 +4467,7 @@ Version 2.17.0: February 25, 2010 phi(i,inf) = a + bt +ct^2 beta(i) = d + et + ft^2 - where a, b, c, d, e, and f are empirical constants and t in Celcius. + where a, b, c, d, e, and f are empirical constants and t in Celsius. Data input of the constants are in the keyword data block SOLUTION_SPECIES using the new identifier -millero. @@ -4585,7 +4585,7 @@ Version 2.15.0: February 5, 2008 svn 2680 -------- - Identifiers for paramaters controlling the integration by + Identifiers for parameters controlling the integration by CVODE have been added in the KINETICS data block. -bad_step_max bad_steps @@ -5202,7 +5202,7 @@ Version 2.9: ------------------------------------------------------------ * Added new keyword COPY that allows a data entity to be copied from one index to a new index - or to a range of indicies. Format is + or to a range of indices. Format is COPY keyword index index_start[-index_end] @@ -5241,7 +5241,7 @@ Version 2.9: 10 t = SYS("As") the function will return the total arsenic in the system. - (2) 5 argumens + (2) 5 arguments 10 t = SYS("As", count_species, names$, types$, moles) @@ -5667,7 +5667,7 @@ Version 2.18.0: April 9, 2011 -------- svn 5212 -------- - Subscript error in solver (ineq) when reseting deltas + Subscript error in solver (ineq) when resetting deltas after optimization failed. -------- @@ -5817,7 +5817,7 @@ Version 2.17.0: February 25, 2010 -------- svn 4115 -------- - Fixed bugs with unititialized strings in Basic, which + Fixed bugs with uninitialized strings in Basic, which caused an error in renumbering with PhreeqcI. Tested most Basic functions. Fixed bugs with LG and GAMMA functions, which did not return the correct values @@ -5833,7 +5833,7 @@ Version 2.17.0: February 25, 2010 SIT and Pitzer, each species has an unknown, so the number of unknowns is large for a system with many elements. Now set the maximum iterations to be - equal to the number of unknows plus the number of + equal to the number of unknowns plus the number of equations/inequalities. -------- @@ -6193,7 +6193,7 @@ Version 2.13.1: January 16, 2007 svn 1368: (1) Added multicomponent diffusion in transport and SOLUTION_SPECIES. (2) Added BASIC functions to obtain and - modify the porosity in a cell. (3) Aded mobile surface and Donnan + modify the porosity in a cell. (3) Added mobile surface and Donnan option in SURFACE. (4) Added special BASIC function to change the diffusion coefficient of a SURFACE, and hence to change the status from mobile to immobile or immobile to @@ -6295,7 +6295,7 @@ SURFACE_SPECIES Plane 2 (or d) is 0. - svn 1030: Fixed bug in tranport. Mixing was not printed + svn 1030: Fixed bug in transport. Mixing was not printed when using -cvode in kinetics. svn 984: Fixed bug in transport when cell without a @@ -6558,7 +6558,7 @@ Version 2.9 Date: Wed September 15, 2004 Added new keyword COPY that allows a data entity to be copied from one index to a new index - or to a range of indicies. Format is + or to a range of indices. Format is COPY keyword index index_start[-index_end] @@ -6603,7 +6603,7 @@ Version 2.9 Date: Wed September 15, 2004 10 t = SYS("As") the function will return the total arsenic in the system. - (2) 5 argumens + (2) 5 arguments 10 t = SYS("As", count_species, names$, types$, moles) diff --git a/examples/ex10.out b/examples/ex10.out index 3a5e71311..5a0f521dc 100644 --- a/examples/ex10.out +++ b/examples/ex10.out @@ -78,7 +78,7 @@ defined at 298.15 kelvin is valid at the critical temperature.) Log IAP (component 1): -8.338 Log Sum Pi: -8.29736 -Local minimum in the solidus curve coresponding to a maximum +Local minimum in the solidus curve corresponding to a maximum in the minimum stoichiometric saturation curve. Solid mole fraction of component 2: 0.198353 diff --git a/examples/examples_pc/ex10.out b/examples/examples_pc/ex10.out index 36f8b2bc0..02abe7dd0 100644 --- a/examples/examples_pc/ex10.out +++ b/examples/examples_pc/ex10.out @@ -77,7 +77,7 @@ defined at 298.15 kelvin is valid at the critical temperature.) Log IAP (component 1): -8.338 Log Sum Pi: -8.29736 -Local minimum in the solidus curve coresponding to a maximum +Local minimum in the solidus curve corresponding to a maximum in the minimum stoichiometric saturation curve. Solid mole fraction of component 2: 0.198353 diff --git a/jenkins-phreeqc-dist.sh b/jenkins-phreeqc-dist.sh index a6c7695e8..c64b9b2be 100755 --- a/jenkins-phreeqc-dist.sh +++ b/jenkins-phreeqc-dist.sh @@ -17,7 +17,7 @@ # from the top-level of a branches/0.24.2 working copy will create # the 0.24.2 release tarball. # -# When building a alpha, beta or rc tarballs pass the apppropriate flag +# When building a alpha, beta or rc tarballs pass the appropriate flag # followed by the number for that release. For example you'd do # the following for a Beta 1 release: # ./dist.sh -v 1.1.0 -r 10277 -pr branches/1.1.x -beta 1 diff --git a/msi/Product.wxs b/msi/Product.wxs index 59667f153..bbc60d9d4 100644 --- a/msi/Product.wxs +++ b/msi/Product.wxs @@ -35,7 +35,7 @@ diff --git a/mytest/Na_X b/mytest/Na_X index 76939c58d..c818f29c1 100644 --- a/mytest/Na_X +++ b/mytest/Na_X @@ -71,8 +71,8 @@ USER_PUNCH 170 nfilt1 = 3 # number of cells in filter 1 180 nfilt2 = 3 # number of cells in filter 2 190 nclay = 18 # number of clay cells -# 190 nclay = 21 # runs allright. - 200 f_free = 1 # fraction of free pore water (0.01 - 1), 0 if Ionic Strength dependend +# 190 nclay = 21 # runs alright. + 200 f_free = 1 # fraction of free pore water (0.01 - 1), 0 if Ionic Strength dependent 202 t_edl = 6 # thickness of EDL, debye lengths, used when f_free = 0 204 edl_max = 0.99 # maximal fraction of EDL / total water 210 f_DL_charge = 0 # fraction of CEC charge on SURFACE diff --git a/mytest/Nardi.dat b/mytest/Nardi.dat index 4948807d0..1b536bc9e 100644 --- a/mytest/Nardi.dat +++ b/mytest/Nardi.dat @@ -6196,7 +6196,7 @@ H2O + 0.01e- = H2O-0.01 1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 -llnl_gamma 3.4 - log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.210 #Estimated by correlation with An(VI) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 @@ -7778,7 +7778,7 @@ H2O + 0.01e- = H2O-0.01 1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 -llnl_gamma 5.7 - log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO + log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 @@ -11291,7 +11291,7 @@ Cm(PO4) = - 2.000H+ + 1.000H2(PO4)- + 1.000Cm+3 Cm2(CO3)3(am) Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 - log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.900 #estimated in analogy with Ln(III) and Am(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 diff --git a/mytest/Phmaster14.dat b/mytest/Phmaster14.dat index cd1e4e641..c004a0f5f 100644 --- a/mytest/Phmaster14.dat +++ b/mytest/Phmaster14.dat @@ -858,7 +858,7 @@ VO+2 + Cl- = VOCl+ # delta_h 34.157000 kcal #O2 secondary master species -# apparently supercedes the above O2 equation +# apparently supersedes the above O2 equation 2H2O = O2 + 4H+ + 4e- log_k -86.08 delta_h 134.79 kcal diff --git a/mytest/Phreeqc_master_NEA_Ra_Mo_V_MCJ.dat b/mytest/Phreeqc_master_NEA_Ra_Mo_V_MCJ.dat index 99f3c8399..aebbce463 100644 --- a/mytest/Phreeqc_master_NEA_Ra_Mo_V_MCJ.dat +++ b/mytest/Phreeqc_master_NEA_Ra_Mo_V_MCJ.dat @@ -867,7 +867,7 @@ VO+2 + Cl- = VOCl+ # delta_h 34.157000 kcal #O2 secondary master species -# apparently supercedes the above O2 equation +# apparently supersedes the above O2 equation 2H2O = O2 + 4H+ + 4e- log_k -86.08 delta_h 134.79 kcal diff --git a/mytest/THEREDA_PIT_PHRC_r04.dat b/mytest/THEREDA_PIT_PHRC_r04.dat index c9c038410..0294f7d1a 100644 --- a/mytest/THEREDA_PIT_PHRC_r04.dat +++ b/mytest/THEREDA_PIT_PHRC_r04.dat @@ -319,7 +319,7 @@ Halite # ATTENTION: PCON is not included in data block because of the following reasons: # enabled: false - # description: disabled because validity of Pitzer parameters doesnt extend to saturation conditions + # description: disabled because validity of Pitzer parameters doesn't extend to saturation conditions # Na(OH)(cr) # 1 Na(OH) = +1.00 H2O -1.00 H+ +1.00 Na+ # log_k 0.000 diff --git a/mytest/THEREDA_PIT_PHRC_r06.dat b/mytest/THEREDA_PIT_PHRC_r06.dat index 9f3ee9ca2..2e1be5250 100644 --- a/mytest/THEREDA_PIT_PHRC_r06.dat +++ b/mytest/THEREDA_PIT_PHRC_r06.dat @@ -576,7 +576,7 @@ Ca4Cl2(OH)6:13H2O(cr) # ATTENTION: PCON is not included in data block because of the following reasons: # enabled: false - # description: disabled because validity of Pitzer parameters doesnt extend to saturation conditions + # description: disabled because validity of Pitzer parameters doesn't extend to saturation conditions # logk298 value not available or not stable for 298.15 K. # CaCl2:2H2O(cr) # 1 CaCl2:2H2O = +1.00 Ca+2 +2.00 Cl- +2.00 H2O @@ -586,7 +586,7 @@ Ca4Cl2(OH)6:13H2O(cr) # ATTENTION: PCON is not included in data block because of the following reasons: # enabled: false - # description: disabled because validity of Pitzer parameters doesnt extend to saturation conditions + # description: disabled because validity of Pitzer parameters doesn't extend to saturation conditions # logk298 value not available or not stable for 298.15 K. # CaCl2:4H2O(cr) # 1 CaCl2:4H2O = +1.00 Ca+2 +2.00 Cl- +4.00 H2O @@ -869,7 +869,7 @@ Hydrogarnet # ATTENTION: PCON is not included in data block because of the following reasons: # enabled: false - # description: disabled because validity of Pitzer parameters doesnt extend to saturation conditions + # description: disabled because validity of Pitzer parameters doesn't extend to saturation conditions # logk298 value not available or not stable for 298.15 K. # Hydrophilite # 1 CaCl2 = +1.00 Ca+2 +2.00 Cl- @@ -893,7 +893,7 @@ Hydrotalcite # ATTENTION: PCON is not included in data block because of the following reasons: # enabled: false - # description: disabled because validity of Pitzer parameters doesnt extend to saturation conditions + # description: disabled because validity of Pitzer parameters doesn't extend to saturation conditions # logk298 value not available or not stable for 298.15 K. # K(OH)(cr) # 1 K(OH) = +1.00 H2O -1.00 H+ +1.00 K+ @@ -1102,7 +1102,7 @@ Mercallite # ATTENTION: PCON is not included in data block because of the following reasons: # enabled: false - # description: disabled because validity of Pitzer parameters doesnt extend to saturation conditions + # description: disabled because validity of Pitzer parameters doesn't extend to saturation conditions # logk298 value not available or not stable for 298.15 K. # Mg(OH)Cl(cr) # 1 Mg(OH)Cl = +1.00 Cl- +1.00 H2O -1.00 H+ +1.00 Mg+2 @@ -1112,7 +1112,7 @@ Mercallite # ATTENTION: PCON is not included in data block because of the following reasons: # enabled: false - # description: disabled because validity of Pitzer parameters doesnt extend to saturation conditions + # description: disabled because validity of Pitzer parameters doesn't extend to saturation conditions # logk298 value not available or not stable for 298.15 K. # Mg(SO4)(cr) # 1 Mg(SO4) = +1.00 Mg+2 +1.00 SO4-2 @@ -1122,7 +1122,7 @@ Mercallite # ATTENTION: PCON is not included in data block because of the following reasons: # enabled: false - # description: disabled because validity of Pitzer parameters doesnt extend to saturation conditions + # description: disabled because validity of Pitzer parameters doesn't extend to saturation conditions # logk298 value not available or not stable for 298.15 K. # Mg(SO4):11H2O(cr) # 1 Mg(SO4):11H2O = +11.00 H2O +1.00 Mg+2 +1.00 SO4-2 @@ -1132,7 +1132,7 @@ Mercallite # ATTENTION: PCON is not included in data block because of the following reasons: # enabled: false - # description: disabled because validity of Pitzer parameters doesnt extend to saturation conditions + # description: disabled because validity of Pitzer parameters doesn't extend to saturation conditions # logk298 value not available or not stable for 298.15 K. # MgCl2:2H2O(cr) # 1 MgCl2:2H2O = +2.00 Cl- +2.00 H2O +1.00 Mg+2 @@ -1142,7 +1142,7 @@ Mercallite # ATTENTION: PCON is not included in data block because of the following reasons: # enabled: false - # description: disabled because validity of Pitzer parameters doesnt extend to saturation conditions + # description: disabled because validity of Pitzer parameters doesn't extend to saturation conditions # logk298 value not available or not stable for 298.15 K. # MgCl2:4H2O(cr) # 1 MgCl2:4H2O = +2.00 Cl- +4.00 H2O +1.00 Mg+2 @@ -1219,7 +1219,7 @@ Na(HSO4):H2O(cr) # ATTENTION: PCON is not included in data block because of the following reasons: # enabled: false - # description: disabled because validity of Pitzer parameters doesnt extend to saturation conditions + # description: disabled because validity of Pitzer parameters doesn't extend to saturation conditions # logk298 value not available or not stable for 298.15 K. # Na(OH)(cr) # 1 Na(OH) = +1.00 H2O -1.00 H+ +1.00 Na+ @@ -1334,7 +1334,7 @@ Pentasalt # ATTENTION: PCON is not included in data block because of the following reasons: # enabled: false - # description: disabled because validity of Pitzer parameters doesnt extend to saturation conditions + # description: disabled because validity of Pitzer parameters doesn't extend to saturation conditions # logk298 value not available or not stable for 298.15 K. # Periclase # 1 MgO = +1.00 H2O -2.00 H+ +1.00 Mg+2 diff --git a/mytest/Tetsuya/DB.dat b/mytest/Tetsuya/DB.dat index 625c202ad..4fbd6ced3 100644 --- a/mytest/Tetsuya/DB.dat +++ b/mytest/Tetsuya/DB.dat @@ -11200,7 +11200,7 @@ References # 08aza/bla Azaroual M., Blanc P., Jacquemet N. et Andre L., 2008. Rapport Gaciment # 08bla Blanc P. (2008) Thermochimie - Selection de constantes thermodynamiques pour les zeolites. Rapport final. Rapport BRGM/RP-56854-FR. # 08gai Gailhanou H. (2008) : Thermochimie : Acquisition des proprietes thermodynamiques sur une berthierine et revision des donnees sur les mineraux argileux. Rapport final BRGM/RP-56838-FR -# 08las Lassin A., 2008, personnal calculations. +# 08las Lassin A., 2008, personal calculations. # 08vie Vieillard P., 2008. Estimation des entropies et capacites calorifiques des zeolithes. Rapport CNRS-Hydrasa 2008, 29 p. # 09bla/bou Blanc P., Bourbon X., Lassin A. et Gaucher E., 2009. Chemical conceptual model for cement-based materials : Thermodynamic data assessment for stoichiometric and non stoichiometric CSH phases, in prep. # 33dan D'Ans J., 1933. Die Losegleichgewichte der Systeme der Salze ozeanischer Salzablagerungen. Kaliorschungs Anstalt GmbH, Berlin Verlagsgesellschaft fur Ackerbau MBH, Berlin SW11 diff --git a/mytest/amphos/01_Example 11/PHREEQC_Davies.dat b/mytest/amphos/01_Example 11/PHREEQC_Davies.dat index db6154230..f5e3ed2b4 100644 --- a/mytest/amphos/01_Example 11/PHREEQC_Davies.dat +++ b/mytest/amphos/01_Example 11/PHREEQC_Davies.dat @@ -3382,7 +3382,7 @@ SOLUTION_SPECIES 1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 #-llnl_gamma 5.7 - log_k 1.210 #09RAO/TIA (Calculated usig SIT) + log_k 1.210 #09RAO/TIA (Calculated using SIT) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 @@ -6588,7 +6588,7 @@ SOLUTION_SPECIES 1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 #-llnl_gamma 3.4 - log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.210 #Estimated by correlation with An(VI) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 @@ -8289,7 +8289,7 @@ SOLUTION_SPECIES 1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 #-llnl_gamma 5.7 - log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO + log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 @@ -11401,7 +11401,7 @@ Cm = 1.000Cm+3 + 1.500H2O - 3.000H+ - 0.750O2 Cm2(CO3)3(am) Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 - log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.900 #estimated in analogy with Ln(III) and Am(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 diff --git a/mytest/amphos/01_Example 11/PHREEQC_SIT.dat b/mytest/amphos/01_Example 11/PHREEQC_SIT.dat index c63d2dc16..f5b1a0da6 100644 --- a/mytest/amphos/01_Example 11/PHREEQC_SIT.dat +++ b/mytest/amphos/01_Example 11/PHREEQC_SIT.dat @@ -3421,7 +3421,7 @@ SOLUTION_SPECIES -analytic -4.82E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 - log_k 1.210 #09RAO/TIA (Calculated usig SIT) + log_k 1.210 #09RAO/TIA (Calculated using SIT) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 @@ -6121,7 +6121,7 @@ SOLUTION_SPECIES -analytic 2.42573E+0 0E+0 -2.2438E+3 0E+0 0E+0 1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 - log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.210 #Estimated by correlation with An(VI) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 @@ -7579,7 +7579,7 @@ SOLUTION_SPECIES -analytic 9.73237E+0 0E+0 -9.84603E+2 0E+0 0E+0 1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 - log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO + log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 @@ -10445,7 +10445,7 @@ Cm = 1.000Cm+3 + 1.500H2O - 3.000H+ - 0.750O2 Cm2(CO3)3(am) Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 - log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.900 #estimated in analogy with Ln(III) and Am(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 diff --git a/mytest/amphos/02_1D Diffusion (1)/PHREEQC_Davies.dat b/mytest/amphos/02_1D Diffusion (1)/PHREEQC_Davies.dat index db6154230..f5e3ed2b4 100644 --- a/mytest/amphos/02_1D Diffusion (1)/PHREEQC_Davies.dat +++ b/mytest/amphos/02_1D Diffusion (1)/PHREEQC_Davies.dat @@ -3382,7 +3382,7 @@ SOLUTION_SPECIES 1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 #-llnl_gamma 5.7 - log_k 1.210 #09RAO/TIA (Calculated usig SIT) + log_k 1.210 #09RAO/TIA (Calculated using SIT) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 @@ -6588,7 +6588,7 @@ SOLUTION_SPECIES 1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 #-llnl_gamma 3.4 - log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.210 #Estimated by correlation with An(VI) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 @@ -8289,7 +8289,7 @@ SOLUTION_SPECIES 1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 #-llnl_gamma 5.7 - log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO + log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 @@ -11401,7 +11401,7 @@ Cm = 1.000Cm+3 + 1.500H2O - 3.000H+ - 0.750O2 Cm2(CO3)3(am) Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 - log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.900 #estimated in analogy with Ln(III) and Am(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 diff --git a/mytest/amphos/02_1D Diffusion (1)/PHREEQC_SIT.dat b/mytest/amphos/02_1D Diffusion (1)/PHREEQC_SIT.dat index c63d2dc16..f5b1a0da6 100644 --- a/mytest/amphos/02_1D Diffusion (1)/PHREEQC_SIT.dat +++ b/mytest/amphos/02_1D Diffusion (1)/PHREEQC_SIT.dat @@ -3421,7 +3421,7 @@ SOLUTION_SPECIES -analytic -4.82E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 - log_k 1.210 #09RAO/TIA (Calculated usig SIT) + log_k 1.210 #09RAO/TIA (Calculated using SIT) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 @@ -6121,7 +6121,7 @@ SOLUTION_SPECIES -analytic 2.42573E+0 0E+0 -2.2438E+3 0E+0 0E+0 1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 - log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.210 #Estimated by correlation with An(VI) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 @@ -7579,7 +7579,7 @@ SOLUTION_SPECIES -analytic 9.73237E+0 0E+0 -9.84603E+2 0E+0 0E+0 1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 - log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO + log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 @@ -10445,7 +10445,7 @@ Cm = 1.000Cm+3 + 1.500H2O - 3.000H+ - 0.750O2 Cm2(CO3)3(am) Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 - log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.900 #estimated in analogy with Ln(III) and Am(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 diff --git a/mytest/amphos/02_1D Diffusion (1)/PHREEQC_eDH.dat b/mytest/amphos/02_1D Diffusion (1)/PHREEQC_eDH.dat index b95f6df11..aa5b49655 100644 --- a/mytest/amphos/02_1D Diffusion (1)/PHREEQC_eDH.dat +++ b/mytest/amphos/02_1D Diffusion (1)/PHREEQC_eDH.dat @@ -3382,7 +3382,7 @@ SOLUTION_SPECIES 1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 -llnl_gamma 5.7 - log_k 1.210 #09RAO/TIA (Calculated usig SIT) + log_k 1.210 #09RAO/TIA (Calculated using SIT) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 @@ -6588,7 +6588,7 @@ SOLUTION_SPECIES 1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 -llnl_gamma 3.4 - log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.210 #Estimated by correlation with An(VI) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 @@ -8289,7 +8289,7 @@ SOLUTION_SPECIES 1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 -llnl_gamma 5.7 - log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO + log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 @@ -11401,7 +11401,7 @@ Cm = 1.000Cm+3 + 1.500H2O - 3.000H+ - 0.750O2 Cm2(CO3)3(am) Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 - log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.900 #estimated in analogy with Ln(III) and Am(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 diff --git a/mytest/amphos/03_1D Diffusion (2)/PHREEQC_SIT.dat b/mytest/amphos/03_1D Diffusion (2)/PHREEQC_SIT.dat index c63d2dc16..f5b1a0da6 100644 --- a/mytest/amphos/03_1D Diffusion (2)/PHREEQC_SIT.dat +++ b/mytest/amphos/03_1D Diffusion (2)/PHREEQC_SIT.dat @@ -3421,7 +3421,7 @@ SOLUTION_SPECIES -analytic -4.82E+0 0E+0 0E+0 0E+0 0E+0 1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 - log_k 1.210 #09RAO/TIA (Calculated usig SIT) + log_k 1.210 #09RAO/TIA (Calculated using SIT) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 @@ -6121,7 +6121,7 @@ SOLUTION_SPECIES -analytic 2.42573E+0 0E+0 -2.2438E+3 0E+0 0E+0 1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 - log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.210 #Estimated by correlation with An(VI) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 @@ -7579,7 +7579,7 @@ SOLUTION_SPECIES -analytic 9.73237E+0 0E+0 -9.84603E+2 0E+0 0E+0 1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 - log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO + log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 @@ -10445,7 +10445,7 @@ Cm = 1.000Cm+3 + 1.500H2O - 3.000H+ - 0.750O2 Cm2(CO3)3(am) Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 - log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.900 #estimated in analogy with Ln(III) and Am(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 diff --git a/mytest/amphos/03_1D Diffusion (2)/PHREEQC_eDH.dat b/mytest/amphos/03_1D Diffusion (2)/PHREEQC_eDH.dat index b95f6df11..aa5b49655 100644 --- a/mytest/amphos/03_1D Diffusion (2)/PHREEQC_eDH.dat +++ b/mytest/amphos/03_1D Diffusion (2)/PHREEQC_eDH.dat @@ -3382,7 +3382,7 @@ SOLUTION_SPECIES 1.000Eu+3 + 1.000NO3- = Eu(NO3)+2 -llnl_gamma 5.7 - log_k 1.210 #09RAO/TIA (Calculated usig SIT) + log_k 1.210 #09RAO/TIA (Calculated using SIT) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 1.21E+0 0E+0 0E+0 0E+0 0E+0 @@ -6588,7 +6588,7 @@ SOLUTION_SPECIES 1.000NpO2+2 - 2.000H+ + 2.000H2O = NpO2(OH)2 -llnl_gamma 3.4 - log_k -12.210 #Estimated by correlation with An(VI) in funciton of ionic radii + log_k -12.210 #Estimated by correlation with An(VI) in function of ionic radii # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -1.221E+1 0E+0 0E+0 0E+0 0E+0 @@ -8289,7 +8289,7 @@ SOLUTION_SPECIES 1.000Sm+3 - 1.000H+ + 1.000H4(SiO4) = SmSiO(OH)3+2 -llnl_gamma 5.7 - log_k -2.620 #Orginal data 07THA/SIN and 96JEN/CHO + log_k -2.620 #Original data 07THA/SIN and 96JEN/CHO # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -2.62E+0 0E+0 0E+0 0E+0 0E+0 @@ -11401,7 +11401,7 @@ Cm = 1.000Cm+3 + 1.500H2O - 3.000H+ - 0.750O2 Cm2(CO3)3(am) Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3 - log_k -33.900 #estimated in analogy wiht Ln(III) and Am(III) + log_k -33.900 #estimated in analogy with Ln(III) and Am(III) # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic -3.39E+1 0E+0 0E+0 0E+0 0E+0 diff --git a/mytest/basic_test.out b/mytest/basic_test.out index d04f43f2e..dc7ade900 100644 --- a/mytest/basic_test.out +++ b/mytest/basic_test.out @@ -234,7 +234,7 @@ defined at 298.15 kelvin is valid at the critical temperature.) Log IAP (component 1): -10.8985 Log Sum Pi: -9.95592 -Local minimum in the solidus curve coresponding to a maximum +Local minimum in the solidus curve corresponding to a maximum in the minimum stoichiometric saturation curve. Solid mole fraction of component 2: 0.756163 diff --git a/mytest/brown b/mytest/brown index 1bedf796a..cca726acc 100644 --- a/mytest/brown +++ b/mytest/brown @@ -135,7 +135,7 @@ SURFACE_MASTER_SPECIES SURFACE_SPECIES # #cam to right indicates that K was checked against Minteqa2 db -# for consistancy +# for consistency #Strong surface sites&**************************** Surf_sOH = Surf_sOH log_k 0.0 #cam @@ -185,7 +185,7 @@ SURFACE_SPECIES Surf_wOH + Ca+2 = Surf_wOCa+ + H+ log_k -5.85 #cam -# Glynn estimate--don't use in column simulaiton +# Glynn estimate--don't use in column simulation # Surf_wOH + Mg+2 = Surf_wOMg+ + H+ # log_k -4.6 @@ -271,4 +271,4 @@ TRANSPORT # -dump -dump_frequency 5 # -dump_restart 100 -END \ No newline at end of file +END diff --git a/mytest/cdmusic_hiemstra.dat b/mytest/cdmusic_hiemstra.dat index 4b33d4c68..2a0240b50 100644 --- a/mytest/cdmusic_hiemstra.dat +++ b/mytest/cdmusic_hiemstra.dat @@ -347,7 +347,7 @@ SURFACE_SPECIES Fhy_triOH0.5 = Fhy_triO-0.5 + 0.5H+ -cd_music -0.5 0 0 0 0 - log_k 10 # make neglible + log_k 10 # make negligible Fhy_triO-0.5 + H+ = Fhy_triOH+0.5 -cd_music 1 0 0 0 0 @@ -427,7 +427,7 @@ SURFACE_SPECIES Fhy_unicOH1.5 = Fhy_unicOH-0.5 + 0.5H+ -cd_music -0.5 0 0 0 0 - log_k 10 # make neglible + log_k 10 # make negligible Fhy_unicOH-0.5 + H+ = Fhy_unicOH2+0.5 -cd_music 1 0 0 0 0 diff --git a/mytest/cdmusic_hiemstra.out b/mytest/cdmusic_hiemstra.out index feb019a90..7eaf6d76e 100644 --- a/mytest/cdmusic_hiemstra.out +++ b/mytest/cdmusic_hiemstra.out @@ -168,7 +168,7 @@ Reading input data for simulation 1. log_k 0 Fhy_triOH0.5 = Fhy_triO-0.5 + 0.5H+ cd_music -0.5 0 0 0 0 - log_k 10 # make neglible + log_k 10 # make negligible Fhy_triO-0.5 + H+ = Fhy_triOH+0.5 cd_music 1 0 0 0 0 log_k 8.06 #HvR2009 @@ -216,7 +216,7 @@ Reading input data for simulation 1. log_k 0 Fhy_unicOH1.5 = Fhy_unicOH-0.5 + 0.5H+ cd_music -0.5 0 0 0 0 - log_k 10 # make neglible + log_k 10 # make negligible Fhy_unicOH-0.5 + H+ = Fhy_unicOH2+0.5 cd_music 1 0 0 0 0 log_k 8.06 #HvR2009 diff --git a/mytest/jm_trans.dat b/mytest/jm_trans.dat index 8d9057ec3..329d79b4a 100644 --- a/mytest/jm_trans.dat +++ b/mytest/jm_trans.dat @@ -874,7 +874,7 @@ VO+2 + Cl- = VOCl+ # delta_h 34.157000 kcal #O2 secondary master species -# apparently supercedes the above O2 equation +# apparently supersedes the above O2 equation 2H2O = O2 + 4H+ + 4e- log_k -86.08 delta_h 134.79 kcal diff --git a/mytest/kin_time.out b/mytest/kin_time.out index 985907e9e..7e1fd2eb7 100644 --- a/mytest/kin_time.out +++ b/mytest/kin_time.out @@ -227,7 +227,7 @@ defined at 298.15 kelvin is valid at the critical temperature.) Log IAP (component 1): -10.8985 Log Sum Pi: -9.95592 -Local minimum in the solidus curve coresponding to a maximum +Local minimum in the solidus curve corresponding to a maximum in the minimum stoichiometric saturation curve. Solid mole fraction of component 2: 0.756163 diff --git a/mytest/mytest_pc/basic_test.out b/mytest/mytest_pc/basic_test.out index cc62ba306..28c4a043c 100644 --- a/mytest/mytest_pc/basic_test.out +++ b/mytest/mytest_pc/basic_test.out @@ -213,7 +213,7 @@ defined at 298.15 kelvin is valid at the critical temperature.) Log IAP (component 1): -10.8985 Log Sum Pi: -9.95592 -Local minimum in the solidus curve coresponding to a maximum +Local minimum in the solidus curve corresponding to a maximum in the minimum stoichiometric saturation curve. Solid mole fraction of component 2: 0.756163 diff --git a/mytest/mytest_pc/ss_r.out b/mytest/mytest_pc/ss_r.out index 6dd8a7f62..49f8b058e 100644 --- a/mytest/mytest_pc/ss_r.out +++ b/mytest/mytest_pc/ss_r.out @@ -253,7 +253,7 @@ defined at 298.15 kelvin is valid at the critical temperature.) Log IAP (component 1): -8.48837 Log Sum Pi: -8.47546 -Local minimum in the solidus curve coresponding to a maximum +Local minimum in the solidus curve corresponding to a maximum in the minimum stoichiometric saturation curve. Solid mole fraction of component 2: 0.0624599 diff --git a/mytest/rate_xmpls b/mytest/rate_xmpls index df6bba9e0..89db37567 100644 --- a/mytest/rate_xmpls +++ b/mytest/rate_xmpls @@ -324,7 +324,7 @@ EXCHANGE_SPECIES # 0.34 Mg+2 + 2 X_montm_mg-0.34 = Mg0.34X_montm_mg2 ; log_k -7.416 # -0.297 # # 0.34 Ca+2 + 2 X_montm_mg-0.34 = Ca0.34X_montm_mg2 ; log_k -8.444 # -0.811 # -# # The default exchanger X can be used, uncomment the follwing lines +# # The default exchanger X can be used, uncomment the following lines # # redefine f_Na in the rate... # RATES # Montmorillonite diff --git a/mytest/sit_edl b/mytest/sit_edl index 338d24a02..66ee64f0a 100644 --- a/mytest/sit_edl +++ b/mytest/sit_edl @@ -16,7 +16,7 @@ Goethite 30 S = 0.1 # average BET; suggested value in m2/g 40 Mm = 106.847 # molar mass in g/mol 50 If (SR("Goethite") > 1) Then GoTo 250 -########## start dissolution bloc ########## +########## start dissolution block ########## 60 knu = 1.14815E-08 * exp((-86500 / 8.314) * ((1 / TK) - (1 / 298.15))) 80 k = knu # kinetic data extracted from 92nag/las 93nag/las 08ben/pal @@ -24,8 +24,8 @@ Goethite 100 eta = 1 # default value 110 rate = S * m * Mm *(m/m0)^0.67 * k * ((1 - SR("Goethite") ^ theta) ^ eta) 120 GoTo 240 -########## end dissolution bloc ########## -########## start precipitation bloc ########## +########## end dissolution block ########## +########## start precipitation block ########## 130 knu = 1.14815E-08 * exp((-86500 / 8.314) * ((1 / TK) - (1 / 298.15))) 150 kpre = (-1) * knu 160 theta = 1 @@ -37,7 +37,7 @@ Goethite #start nucleation 210 rate = -1e-10 #end nucleation -########## end precipitation bloc ########## +########## end precipitation block ########## 240 mole = rate * Time 250 Save mole -end diff --git a/mytest/ss_r.out b/mytest/ss_r.out index 7ec74bb0c..61b2ec831 100644 --- a/mytest/ss_r.out +++ b/mytest/ss_r.out @@ -272,7 +272,7 @@ defined at 298.15 kelvin is valid at the critical temperature.) Log IAP (component 1): -8.48851 Log Sum Pi: -8.47559 -Local minimum in the solidus curve coresponding to a maximum +Local minimum in the solidus curve corresponding to a maximum in the minimum stoichiometric saturation curve. Solid mole fraction of component 2: 0.0624987 diff --git a/packages/dist.sh b/packages/dist.sh index f8d380587..59a1748aa 100755 --- a/packages/dist.sh +++ b/packages/dist.sh @@ -17,7 +17,7 @@ # from the top-level of a branches/0.24.2 working copy will create # the 0.24.2 release tarball. # -# When building a alpha, beta or rc tarballs pass the apppropriate flag +# When building a alpha, beta or rc tarballs pass the appropriate flag # followed by the number for that release. For example you'd do # the following for a Beta 1 release: # ./dist.sh -v 1.1.0 -r 10277 -pr branches/1.1.x -beta 1 diff --git a/src/Form1.h b/src/Form1.h index 77cb90f95..df07557ad 100644 --- a/src/Form1.h +++ b/src/Form1.h @@ -673,7 +673,7 @@ namespace zdg_ui2 { // Respond to a Zoom Event void MyZoomEvent( ZedGraphControl ^control, ZoomState ^oldState, ZoomState ^newState ) { - // Here we get notification everytime the user zooms + // Here we get notification every time the user zooms } void SetChartOptions( System::Object ^sender, System::EventArgs ^e ) { diff --git a/src/Makefile.old b/src/Makefile.old index c0b66adb1..02aa81b4c 100644 --- a/src/Makefile.old +++ b/src/Makefile.old @@ -4,7 +4,7 @@ # Release # Debug # -# Serial verisons: Release Debug +# Serial versions: Release Debug # # Makefile sets CFG variable, cd's to appropriate directory, runs Makefile recursively # Recursive make sets appropriate compiler, objects, options, libraries, and compiles PHREEQC diff --git a/src/PBasic.cpp b/src/PBasic.cpp index 0b7b68dc3..6fb6f1a0c 100644 --- a/src/PBasic.cpp +++ b/src/PBasic.cpp @@ -2441,8 +2441,8 @@ factor(struct LOC_exec * LINK) require(tokcomma, LINK); varrec* area_varrec = LINK->t->UU.vp; if (LINK->t->kind != tokvar || area_varrec->stringvar != 0) - snerr(": Missing or wrong type area varaiable."); - // varaiable for thickness + snerr(": Missing or wrong type area variable."); + // variable for thickness LINK->t = LINK->t->next; require(tokcomma, LINK); varrec* thickness_varrec = LINK->t->UU.vp; @@ -5595,7 +5595,7 @@ cmdput(struct LOC_exec *LINK) /* get parentheses */ require(toklp, LINK); - /* get first argumen */ + /* get first argument */ double value = realexpr(LINK); for (;;) @@ -5628,7 +5628,7 @@ cmdput_(struct LOC_exec* LINK) /* get parentheses */ require(toklp, LINK); - /* get first argumen */ + /* get first argument */ char* str = strexpr(LINK); std::string s_value = str; PhreeqcPtr->PHRQ_free(str); diff --git a/src/Phreeqc.cpp b/src/Phreeqc.cpp index 25d903afa..672b22d2c 100644 --- a/src/Phreeqc.cpp +++ b/src/Phreeqc.cpp @@ -1966,7 +1966,7 @@ Phreeqc::InternalCopy(const Phreeqc* pSrc) //count_tally_table_rows = 0; /* transport.cpp ------------------------------- */ - /* storage is created and freed in tranport.cpp */ + /* storage is created and freed in transport.cpp */ sol_D = NULL; sol_D_dbg = NULL; J_ij = NULL; diff --git a/src/cl1.cpp b/src/cl1.cpp index 22a748e59..e3d831703 100644 --- a/src/cl1.cpp +++ b/src/cl1.cpp @@ -460,7 +460,7 @@ cl1(int k, int l, int m, int n, #endif if (kk < 0) { -/* no positive value found in L340 or bypass intermediate verticies */ +/* no positive value found in L340 or bypass intermediate vertices */ *l_kode = 2; goto L590; } diff --git a/src/cl1mp.cpp b/src/cl1mp.cpp index 797674066..c9d1a8ad5 100644 --- a/src/cl1mp.cpp +++ b/src/cl1mp.cpp @@ -603,7 +603,7 @@ cl1mp(int k, int l, int m, int n, #endif if (kk < 0) { -/* no positive value found in L340 or bypass intermediate verticies */ +/* no positive value found in L340 or bypass intermediate vertices */ *kode = 2; goto L590; } diff --git a/src/common/Parser.h b/src/common/Parser.h index ac6620bcf..d3a11c582 100644 --- a/src/common/Parser.h +++ b/src/common/Parser.h @@ -83,7 +83,7 @@ class CParser: public PHRQ_base Arguments: string Input, character string used in printing error message - allow_empty Input, True or false, if a blank line is accepable + allow_empty Input, True or false, if a blank line is acceptable if false, another line is read allow_eof Input, True or false, if EOF is acceptable allow_keyword Input, True or false, if a keyword is acceptable diff --git a/src/common/Utils.cxx b/src/common/Utils.cxx index b2585a565..060346683 100644 --- a/src/common/Utils.cxx +++ b/src/common/Utils.cxx @@ -155,7 +155,7 @@ Utilities::convert_time(double t, std::string in, std::string out) { t = t * 3600. * 24. * 365.25; } - // convert to ouput units + // convert to output units if (out.substr(0,1) == "m") { t = t / 60.; diff --git a/src/cvode.cpp b/src/cvode.cpp index 509412aac..f273c7a83 100644 --- a/src/cvode.cpp +++ b/src/cvode.cpp @@ -1672,7 +1672,7 @@ CVEwtSet(CVodeMem cv_mem, N_Vector ycur) /*********************** CVEwtSetSS ********************************* - This routine sets ewt as decribed above in the case tol_type = SS. + This routine sets ewt as described above in the case tol_type = SS. It tests for non-positive components before inverting. CVEwtSetSS returns TRUE if ewt is successfully set to a positive vector and FALSE otherwise. In the latter case, ewt is considered @@ -1698,7 +1698,7 @@ CVEwtSetSS(CVodeMem cv_mem, N_Vector ycur) /*********************** CVEwtSetSV ********************************* - This routine sets ewt as decribed above in the case tol_type = SV. + This routine sets ewt as described above in the case tol_type = SV. It tests for non-positive components before inverting. CVEwtSetSV returns TRUE if ewt is successfully set to a positive vector and FALSE otherwise. In the latter case, ewt is considered @@ -3249,7 +3249,7 @@ static void CVSetEta(CVodeMem cv_mem) { - /* If eta below the threshhold THRESH, reject a change of step size */ + /* If eta below the threshold THRESH, reject a change of step size */ if (eta < THRESH) { eta = ONE; @@ -3320,7 +3320,7 @@ CVComputeEtaqp1(CVodeMem cv_mem) corresponding value of q. If there is a tie, the preference order is to (1) keep the same order, then (2) decrease the order, and finally (3) increase the order. If the maximum eta value - is below the threshhold THRESH, the order is kept unchanged and + is below the threshold THRESH, the order is kept unchanged and eta is set to 1. ******************************************************************/ diff --git a/src/global_structures.h b/src/global_structures.h index 9eba44936..2fa43bd4e 100644 --- a/src/global_structures.h +++ b/src/global_structures.h @@ -109,7 +109,7 @@ #define TRANSPORT 8 #define PHAST 9 -/* constaints in mass balance */ +/* constants in mass balance */ #define EITHER 0 #define DISSOLVE 1 #define PRECIPITATE -1 @@ -981,7 +981,7 @@ class master alk = 0; // default gfw for species gfw = 1; - // formula from which to calcuate gfw + // formula from which to calculate gfw gfw_formula = NULL; // pointer to unknown structure unknown = NULL; diff --git a/src/input.cpp b/src/input.cpp index 7235f4ef0..1614f797c 100644 --- a/src/input.cpp +++ b/src/input.cpp @@ -55,7 +55,7 @@ check_line_impl(const char *string, int allow_empty, int allow_eof, * * Arguments: * string Input, character string used in printing error message - * allow_empty Input, True or false, if a blank line is accepable + * allow_empty Input, True or false, if a blank line is acceptable * if false, another line is read * allow_eof Input, True or false, if EOF is acceptable * allow_keyword Input, True or false, if a keyword is acceptable diff --git a/src/inverse.cpp b/src/inverse.cpp index 9e5c1ccb1..8f4a6612f 100644 --- a/src/inverse.cpp +++ b/src/inverse.cpp @@ -74,7 +74,7 @@ inverse_models(void) fprintf(netpath_file, "2.14 # File format\n"); } /* - * Fill in stucture "use". + * Fill in structure "use". */ use.Set_inverse_in(true); use.Set_inverse_ptr(&inverse[n]); diff --git a/src/mainsubs.cpp b/src/mainsubs.cpp index 051e85be0..64d655493 100644 --- a/src/mainsubs.cpp +++ b/src/mainsubs.cpp @@ -931,7 +931,7 @@ saver(void) /* ---------------------------------------------------------------------- */ { /* - * Save results of calcuations (data in variables with _x, + * Save results of calculations (data in variables with _x, * in unknown structure x, in master, or s) into structure * arrays. Structure "save" has info on whether to save * data for each entity (solution, ex, surf, pp, gas, or s_s). diff --git a/src/model.cpp b/src/model.cpp index 863ff8d05..0c85693ed 100644 --- a/src/model.cpp +++ b/src/model.cpp @@ -1964,7 +1964,7 @@ jacobian_sums(void) *sum_jacob2[k].target += *sum_jacob2[k].source * sum_jacob2[k].coef; } /* - * Make final adustments to jacobian array + * Make final adjustments to jacobian array */ /* * Ionic strength diff --git a/src/nvector_serial.cpp b/src/nvector_serial.cpp index 4227b8990..118968be3 100644 --- a/src/nvector_serial.cpp +++ b/src/nvector_serial.cpp @@ -12,7 +12,7 @@ *------------------------------------------------------------------------* * This is the implementation file for a serial implementation * * of the NVECTOR package. It contains the implementation of * - * the serial machine environment intialization and free * + * the serial machine environment initialization and free * * routines (and of the Fortran callable interfaces to them) * * and of the N_Vector kernels listed in nvector_serial.h. * * * diff --git a/src/nvector_serial.h b/src/nvector_serial.h index 8a5ecb904..fbef5df35 100644 --- a/src/nvector_serial.h +++ b/src/nvector_serial.h @@ -107,7 +107,7 @@ /**************************************************************** * PART I: * - * Serial implementaion of M_Env and N_Vector * + * Serial implementation of M_Env and N_Vector * ****************************************************************/ /* The serial implementation of the machine environment has diff --git a/src/pitzer.cpp b/src/pitzer.cpp index 35d494fc4..a0c10b4e0 100644 --- a/src/pitzer.cpp +++ b/src/pitzer.cpp @@ -737,7 +737,7 @@ PTEMP(LDBLE TK) { /* C -C SUBROUTINE TO CALUCLATE TEMPERATURE DEPENDENCE OF PITZER PARAMETER +C SUBROUTINE TO CALCULATE TEMPERATURE DEPENDENCE OF PITZER PARAMETER C */ LDBLE TR = 298.15; diff --git a/src/prep.cpp b/src/prep.cpp index 7494dfbed..fb867e087 100644 --- a/src/prep.cpp +++ b/src/prep.cpp @@ -674,7 +674,7 @@ build_ss_assemblage(void) /* include mole fraction */ store_mb(&(x[i]->phase->log10_fraction_x), &(x[i]->f), 1.0); - /* include activity coeficient */ + /* include activity coefficient */ store_mb(&(x[i]->phase->log10_lambda), &(x[i]->f), 1.0); /* * Put coefficients into mass action equations @@ -4478,7 +4478,7 @@ setup_solution(void) (ph_unknown == charge_balance_unknown) && (alkalinity_unknown != NULL)) { - error_msg("pH adustment cannot attain charge balance" + error_msg("pH adjustment cannot attain charge balance" " when alkalinity is fixed.", CONTINUE); input_error++; } diff --git a/src/read.cpp b/src/read.cpp index 9a60114c0..bb451db68 100644 --- a/src/read.cpp +++ b/src/read.cpp @@ -7477,7 +7477,7 @@ read_title(void) } /* - * Read additonal lines + * Read additional lines */ for (;;) { @@ -9161,7 +9161,7 @@ read_solid_solutions(void) if (j != 1) { error_string = sformatf( - "Expected temperature (Celcius) for parameters, assemblage %d, solid solution %s, using 25 C", + "Expected temperature (Celsius) for parameters, assemblage %d, solid solution %s, using 25 C", n_user, ss_ptr->Get_name().c_str()); warning_msg(error_string); diff --git a/src/sit.cpp b/src/sit.cpp index 8e9c4e8c0..4f3feb538 100644 --- a/src/sit.cpp +++ b/src/sit.cpp @@ -1586,7 +1586,7 @@ PTEMP_SIT(LDBLE TK) { /* C -C SUBROUTINE TO CALUCLATE TEMPERATURE DEPENDENCE OF PITZER PARAMETER +C SUBROUTINE TO CALCULATE TEMPERATURE DEPENDENCE OF PITZER PARAMETER C */ LDBLE TR = 298.15; diff --git a/src/structures.cpp b/src/structures.cpp index c6b83ec9a..1d5851a52 100644 --- a/src/structures.cpp +++ b/src/structures.cpp @@ -2488,7 +2488,7 @@ unknown_delete(int i) /* ---------------------------------------------------------------------- */ { /* - * Delete unknow from list x + * Delete unknown from list x */ unknown_free(x[i]); x.erase(x.begin() + (size_t)i); @@ -2636,7 +2636,7 @@ logk_init(class logk *logk_ptr) */ logk_ptr->name = NULL; /* - * set varibles = 0 + * set variables = 0 */ logk_ptr->lk = 0.0; for (i = 0; i < MAX_LOG_K_INDICES; i++) diff --git a/src/tally.cpp b/src/tally.cpp index 5f703e93b..0102a6049 100644 --- a/src/tally.cpp +++ b/src/tally.cpp @@ -31,7 +31,7 @@ get_tally_table_rows_columns(int *rows, int *columns) returns number of rows and columns in table get_tally_table_row_heading(int row, char *string) row is C row number - returns row descripter for row + returns row descriptor for row get_tally_table_column_heading(int column, int *type, char *string) column is C column number returns column heading for column @@ -803,7 +803,7 @@ build_tally_table(void) char token[MAX_LENGTH]; const char* cptr; /* - * make list of all elements in all entitites + * make list of all elements in all entities * defines the number of rows in the table */ get_all_components(); @@ -811,7 +811,7 @@ build_tally_table(void) save_print_use = pr.use; pr.use = FALSE; /* - * find nuber of columns + * find number of columns */ count_tally_table_columns = 0; /* diff --git a/src/tidy.cpp b/src/tidy.cpp index 35ddce085..9449e350d 100644 --- a/src/tidy.cpp +++ b/src/tidy.cpp @@ -4661,7 +4661,7 @@ ss_prep(LDBLE t, cxxSS *ss_ptr, int print) { if (print == TRUE) output_msg(sformatf( - "\nLocal minimum in the solidus curve coresponding to a maximum\nin the minimum stoichiometric saturation curve.\n\n")); + "\nLocal minimum in the solidus curve corresponding to a maximum\nin the minimum stoichiometric saturation curve.\n\n")); } else { diff --git a/src/transport.cpp b/src/transport.cpp index 6e69e8df7..39239a01e 100644 --- a/src/transport.cpp +++ b/src/transport.cpp @@ -28,7 +28,7 @@ struct CURRENT_CELLS LDBLE dif, ele, R; // diffusive and electric components, relative cell resistance } *current_cells; LDBLE sum_R, sum_Rd; // sum of R, sum of (current_cells[0].dif - current_cells[i].dif) * R -struct V_M // For calculating Vinograd and McBain's zero-charge, diffusive tranfer of individual solutes +struct V_M // For calculating Vinograd and McBain's zero-charge, diffusive transfer of individual solutes { LDBLE grad, D, z, c, zc, Dz, Dzc; LDBLE b_ij; // harmonic mean of cell properties, with EDL enrichment @@ -3871,7 +3871,7 @@ find_J(int icell, int jcell, LDBLE mixf, LDBLE DDt, int stagnant) for IL: A * por_il / por. por_il should be entered for the cell with the maximal cec. - IL water is related to X-, thus the cec (eq/L IL water) is the same for all cells if X is difined. + IL water is related to X-, thus the cec (eq/L IL water) is the same for all cells if X is defined. IL-water = (free + DL porewater) * por_il / por. for IL: A * aq_il / t_aq. */ @@ -5602,7 +5602,7 @@ diff_stag_surf(int mobile_cell) * Diffuse stagnant and mobile surfaces, following the steps of disp_surf. * First the mobile/stagnant surfaces are mixed, then the stagnant surfaces * when not already done. -* If mixing factors among the cells are defined expicitly, it is assumed that +* If mixing factors among the cells are defined explicitly, it is assumed that * mixing with a lower numbered cell was done when that cell was processed: * for any cell in MCD, need only include the mixing factors for higher numbered cells. */ diff --git a/src/utilities.cpp b/src/utilities.cpp index b2ff48397..a88eda099 100644 --- a/src/utilities.cpp +++ b/src/utilities.cpp @@ -483,7 +483,7 @@ get_token(const char** eqnaddr, std::string& string, LDBLE* l_z, int* l) cptr = *eqnaddr; i = 0; /* - * Find end of token or begining of charge + * Find end of token or beginning of charge */ while (((c = *cptr) != '+') && (c != '-') && (c != '=') && (c != '\0')) {