diff --git a/database/OtherDatabases/PSINA_12_07_110615_DAV_s_win.dat b/database/OtherDatabases/PSINA_12_07_110615_DAV_s_win.dat index 01a0dd31..0e6c024f 100644 --- a/database/OtherDatabases/PSINA_12_07_110615_DAV_s_win.dat +++ b/database/OtherDatabases/PSINA_12_07_110615_DAV_s_win.dat @@ -23,7 +23,7 @@ # changed some comments # PSINA_110615_DAV_s.dat # 11-JUN-2015: Changed references to PSI reports and added comment concerning documentation, -# deleted warning concerning use of database at temperatures other than 25ûC +# deleted warning concerning use of database at temperatures other than 25°C #--------------------------------------------------------------------------------------------------- # # ACTIVITY COEFFICIENTS: @@ -34,7 +34,7 @@ # # TEMPERATURE: # -# This version of the database only contains logK-data for 25ûC +# This version of the database only contains logK-data for 25°C # # DOCUMENTATION: # diff --git a/database/sit.dat b/database/sit.dat index fb5dc31a..596a0d32 100644 --- a/database/sit.dat +++ b/database/sit.dat @@ -1304,7 +1304,7 @@ SOLUTION_SPECIES -analytic 8.65128E-1 0E+0 -4.71528E+3 0E+0 0E+0 1.000Sn+2 - 1.000H2O + 2.000H+ + 0.500O2 = Sn+4 - log_k 30.010 #12GAM/GAJ; E¿=0.384V for Sn2+/Sn4+ reaction ( I=0) + log_k 30.010 #12GAM/GAJ; E°=0.384V for Sn2+/Sn4+ reaction ( I=0) delta_h -301.645 #kJ/mol # Enthalpy of formation: -31.499 #kJ/mol -analytic -2.28359E+1 0E+0 1.5756E+4 0E+0 0E+0 @@ -1503,13 +1503,13 @@ SOLUTION_SPECIES -analytic -4.44259E+0 0E+0 -5.83104E+3 0E+0 0E+0 1.000Ag+ + 1.000S2O3-2 = Ag(S2O3)- - log_k 9.230 #74BEL/MAR in 82H¿G - delta_h -58.994 #kJ/mol #74BEL/MAR in 82H¿G + log_k 9.230 #74BEL/MAR in 82HÖG + delta_h -58.994 #kJ/mol #74BEL/MAR in 82HÖG # Enthalpy of formation: -601.724 #kJ/mol -analytic -1.10529E+0 0E+0 3.08147E+3 0E+0 0E+0 1.000Ag+ + 2.000S2O3-2 = Ag(S2O3)2-3 - log_k 13.640 #72POU/RIG in 82H¿G + log_k 13.640 #72POU/RIG in 82HÖG delta_h -94.450 #kJ/mol # Enthalpy of formation: -1285.7 #kJ/mol #82WAG/EVA -analytic -2.90691E+0 0E+0 4.93346E+3 0E+0 0E+0 @@ -2031,13 +2031,13 @@ SOLUTION_SPECIES -analytic 8.23625E+0 0E+0 -1.09309E+3 0E+0 0E+0 1.000Am+3 + 1.000Cl- = AmCl+2 - log_k 0.240 #97K¿N/FAN + log_k 0.240 #97KÖN/FAN delta_h 25.106 #kJ/mol # Enthalpy of formation: -758.674 #kJ/mol -analytic 4.63838E+0 0E+0 -1.31138E+3 0E+0 0E+0 1.000Am+3 + 2.000Cl- = AmCl2+ - log_k -0.740 #97K¿N/FAN + log_k -0.740 #97KÖN/FAN delta_h 40.568 #kJ/mol # Enthalpy of formation: -910.292 #kJ/mol -analytic 6.3672E+0 0E+0 -2.11901E+3 0E+0 0E+0 @@ -2571,7 +2571,7 @@ SOLUTION_SPECIES -analytic 2.77E+0 0E+0 0E+0 0E+0 0E+0 1.000Ca+2 + 1.000F- = CaF+ - log_k 0.940 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; S¿lection de donn¿es thermodynamiques aff¿rentes aux corrections de Temp¿rature sur les principaux ¿quilibres chimiques en milieu naturel + log_k 0.940 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel delta_h 17.238 #kJ/mol # Enthalpy of formation: -861.112 #kJ/mol -analytic 3.95996E+0 0E+0 -9.00402E+2 0E+0 0E+0 @@ -2685,7 +2685,7 @@ SOLUTION_SPECIES -analytic -1.40951E+0 0E+0 2.59674E+3 0E+0 0E+0 1.000Cd+2 + 1.000NO3- = Cd(NO3)+ - log_k 0.460 #74FED/ROB in 82H¿G + log_k 0.460 #74FED/ROB in 82HÖG delta_h -21.757 #kJ/mol #74NAU/RYZ in 91BAL/NOR # Enthalpy of formation: -304.527 #kJ/mol -analytic -3.35166E+0 0E+0 1.13645E+3 0E+0 0E+0 @@ -5115,7 +5115,7 @@ SOLUTION_SPECIES -analytic 4.70926E-2 0E+0 9.03118E+1 0E+0 0E+0 1.000Mg+2 + 1.000F- = MgF+ - log_k 1.800 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; S¿lection de donn¿es thermodynamiques aff¿rentes aux corrections de Temp¿rature sur les principaux ¿quilibres chimiques en milieu naturel + log_k 1.800 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel delta_h 13.389 #kJ/mol # Enthalpy of formation: -788.961 #kJ/mol -analytic 4.14565E+0 0E+0 -6.99355E+2 0E+0 0E+0 @@ -5463,7 +5463,7 @@ SOLUTION_SPECIES -analytic 1.14786E-1 0E+0 -6.40383E+1 0E+0 0E+0 1.000Na+ + 1.000F- = NaF - log_k -0.450 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; S¿lection de donn¿es thermodynamiques aff¿rentes aux corrections de Temp¿rature sur les principaux ¿quilibres chimiques en milieu naturel + log_k -0.450 #ANDRA, CRP OHEM 95.002, X. BOURBON, janvier1996; Sélection de données thermodynamiques afférentes aux corrections de Température sur les principaux équilibres chimiques en milieu naturel delta_h -12.552 #kJ/mol # Enthalpy of formation: -588.242 #kJ/mol -analytic -2.64901E+0 0E+0 6.55636E+2 0E+0 0E+0 @@ -6531,19 +6531,19 @@ SOLUTION_SPECIES -analytic -9.01559E+0 0E+0 -1.0037E+4 0E+0 0E+0 1.000Pb+2 + 1.000Br- = PbBr+ - log_k 1.700 #82H¿G + log_k 1.700 #82HÖG delta_h 4.228 #kJ/mol # Enthalpy of formation: -116.262 #kJ/mol -analytic 2.44071E+0 0E+0 -2.20843E+2 0E+0 0E+0 1.000Pb+2 + 2.000Br- = PbBr2 - log_k 1.900 #82H¿G + log_k 1.900 #82HÖG delta_h 10.991 #kJ/mol # Enthalpy of formation: -230.909 #kJ/mol -analytic 3.82554E+0 0E+0 -5.74099E+2 0E+0 0E+0 1.000Pb+2 + 3.000Br- = PbBr3- - log_k 2.900 #82H¿G + log_k 2.900 #82HÖG delta_h 10.653 #kJ/mol # Enthalpy of formation: -352.657 #kJ/mol -analytic 4.76632E+0 0E+0 -5.56444E+2 0E+0 0E+0 @@ -6591,25 +6591,25 @@ SOLUTION_SPECIES -analytic -4.11E+0 0E+0 0E+0 0E+0 0E+0 1.000Pb+2 + 1.000I- = PbI+ - log_k 1.980 #82H¿G + log_k 1.980 #82HÖG delta_h 3.874 #kJ/mol # Enthalpy of formation: -51.986 #kJ/mol -analytic 2.65869E+0 0E+0 -2.02353E+2 0E+0 0E+0 1.000Pb+2 + 2.000I- = PbI2 - log_k 3.150 #82H¿G + log_k 3.150 #82HÖG delta_h 7.106 #kJ/mol # Enthalpy of formation: -105.534 #kJ/mol -analytic 4.39492E+0 0E+0 -3.71172E+2 0E+0 0E+0 1.000Pb+2 + 3.000I- = PbI3- - log_k 3.810 #82H¿G + log_k 3.810 #82HÖG delta_h 3.163 #kJ/mol # Enthalpy of formation: -166.257 #kJ/mol -analytic 4.36413E+0 0E+0 -1.65215E+2 0E+0 0E+0 1.000Pb+2 + 4.000I- = PbI4-2 - log_k 3.750 #82H¿G + log_k 3.750 #82HÖG delta_h -15.561 #kJ/mol # Enthalpy of formation: -241.761 #kJ/mol -analytic 1.02383E+0 0E+0 8.12806E+2 0E+0 0E+0 @@ -9374,7 +9374,7 @@ Ag2Se = 2.000Ag+ - 1.000H+ + 1.000HSe- Ag3(PO4)(s) Ag3(PO4) = 3.000Ag+ - 2.000H+ + 1.000H2(PO4)- - log_k 2.010 #03B¿T in 76SMI/MAR + log_k 2.010 #03BÖT in 76SMI/MAR # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 2.01E+0 0E+0 0E+0 0E+0 0E+0 @@ -11411,7 +11411,7 @@ FeSe2 = 1.000Fe+2 + 2.000HSe- - 1.000H2O + 0.500O2 Ferrosilite FeSiO3 = 1.000Fe+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O - log_k 32.710 #95TRO: CEA, N.T.SESD n¿ 95/49, L. TROTIGNON avril 1996; Critique et s¿lection de donn¿es thermodynamiques en vue de mod¿liser les ¿quilibres min¿ral - solution, rapport annuel 1995 + log_k 32.710 #95TRO: CEA, N.T.SESD n° 95/49, L. TROTIGNON avril 1996; Critique et sélection de données thermodynamiques en vue de modéliser les équilibres minéral - solution, rapport annuel 1995 # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol -analytic 3.271E+1 0E+0 0E+0 0E+0 0E+0