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fixed some sit.dat characters

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David Parkhurst 2020-09-04 16:17:01 -06:00
parent 3f25856273
commit 759cac1fd9
1 changed files with 18 additions and 18 deletions
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sit.dat
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@ -19,7 +19,7 @@
SOLUTION_MASTER_SPECIES
#element species alk gfw_formula element_gfw
#element species alk gfw_formula eleement_gfw
E e- 0 0 0
Acetate Acetate- 0 Acetate 59.01
Adipate Adipate-2 0 Adipate 144.07
@ -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
@ -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