diff --git a/sit.dat b/sit.dat index ad2cfff0..640daf81 100644 --- a/sit.dat +++ b/sit.dat @@ -1,10 +1,9 @@ # PHREEQC database -# Base de Donnee ANDRA - THERMO_CHIMIE +# Thermodynamic database ANDRA – THERMOCHIMIE (www.thermochimie-tdb.com) # Version 9a -# Nom : Groupement de laboratoires ThermoChimie -# BDD Date : 7/28/2014 -# Crée le 7/28/2014 -# Remarque : no comment +# Nom: ThermoChimie project +# BDD Date: 7/28/2014 +# Comment: no comment NAMED_EXPRESSIONS @@ -72,7 +71,7 @@ H(0) H2 0 H 1.0079 Hf Hf+4 -4 Hf 178.49 Hg Hg+2 0 Hg 200.59 Hg(+2) Hg+2 0 Hg 200.59 -Hg(+1) Hg2+2 0 Hg2 401.18 +Hg(+1) Hg+ 0 Hg 200.59 Ho Ho+3 0 Ho 164.9303 I I- 0 I 126.9045 I(+5) IO3- 0 I 126.9045 @@ -321,7 +320,7 @@ HfF2+2 ClO4- 0.47 HfNO3+3 ClO4- 0.91 Hg(SeO3)2-2 Na+ 0.008 Hg+2 Cl- 0.168 -Hg2+2 Cl- 0.054 +Hg+ Cl- 0.054 Ho(CO3)+ Cl- 0.129 Ho(CO3)+ ClO4- 0.17 Ho(CO3)2- Na+ -0.14 @@ -1187,11 +1186,11 @@ SOLUTION_SPECIES # Enthalpy of formation: 14.3 #kJ/mol #05OLI/NOL -analytic 1.35922E+1 0E+0 -3.10023E+4 0E+0 0E+0 -2.000Hg+2 + 1.000H2O - 2.000H+ - 0.500O2 = Hg2+2 - log_k -12.200 - delta_h 106.213 #kJ/mol +1.000Hg+2 + 0.500H2O - 1.000H+ - 0.2500O2 = Hg+ + log_k -6.100 + delta_h 53.107 #kJ/mol # Enthalpy of formation: 166.87 #kJ/mol #01LEM/FUG - -analytic 6.40769E+0 0E+0 -5.54788E+3 0E+0 0E+0 + -analytic -6.09069E+0 0E+0 2.77396E+0 0E+0 0E+0 1.000I- + 1.500O2 = IO3- log_k 17.410 #92GRE/FUG @@ -11655,7 +11654,7 @@ HfO2 = - 4.000H+ + 1.000Hf+4 + 2.000H2O -analytic -5.6E+0 0E+0 0E+0 0E+0 0E+0 Hg2SeO3(s) -Hg2SeO3 = 1.000SeO3-2 + 1.000Hg2+2 +Hg2SeO3 = 1.000SeO3-2 + 2.000Hg+ log_k -15.200 #05OLI/NOL # delta_h 0.000 #kJ/mol # Enthalpy of formation: #kJ/mol