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17149 lines
633 KiB
Plaintext
17149 lines
633 KiB
Plaintext
# PHREEQC database
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# Thermodynamic database ThermoChimie (www.thermochimie-tdb.com)
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# Version 10a
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# Nom : ThermoChimie project
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# BDD Date: 11/22/2018
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# Comment: no comment
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LLNL_AQUEOUS_MODEL_PARAMETERS
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-temperatures
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0.0000 25.0000 60.0000 100.0000
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150.0000 200.0000 250.0000 300.0000
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#debye huckel a (adh)
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-dh_a
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0.4939 0.5114 0.5465 0.5995
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0.6855 0.7994 0.9593 1.2180
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#debye huckel b (bdh)
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-dh_b
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0.3253 0.3288 0.3346 0.3421
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0.3525 0.3639 0.3766 0.3925
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#bdot (bdot)
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-bdot
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0.0374 0.0410 0.0440 0.0460
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0.0470 0.0470 0.0340 0.0000
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#cco2 (coefficients for the Drummond (1981) polynomial)
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-co2_coefs
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-1.0312 0.0012806
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255.9 0.4445
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-0.00161
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# NAMED_EXPRESSIONS
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#
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# formation of O2 from H2O
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# 2H2O = O2 + 4H+ + 4e-
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#
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# Log_K_O2
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# log_k 0.000
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# delta_h 0.000 kJ/mol
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#
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# -analytic
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SOLUTION_MASTER_SPECIES
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#element species alk gfw_formula element_gfw
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E e- 0 0 0
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Acetate Acetate- 0 Acetate 59.01
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Adipate Adipate-2 0 Adipate 144.07
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Ag Ag+ 0 Ag 107.8682
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Al Al+3 0 Al 26.9815
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Alkalinity CO3-2 1 Ca0.5(CO3)0.5 50.05
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Am Am+3 0 Am 243
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Am(+2) Am+2 0 Am 243
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Am(+3) Am+3 0 Am 243
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Am(+4) Am+4 0 Am 243
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Am(+5) AmO2+ 0 Am 243
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Am(+6) AmO2+2 0 Am 243
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As AsO4-3 0 As 74.9216
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As(+3) H3(AsO3) 0 As 74.9216
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As(+5) AsO4-3 2 As 74.9216
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B B(OH)4- 1 B 10.811
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Ba Ba+2 0 Ba 137.327
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Br Br- 0 Br 79.904
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C CO3-2 2 CO3 12.011
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C(+4) CO3-2 2 CO3 12.011
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C(-4) CH4 0 CH4 12.011
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Ca Ca+2 0 Ca 40.078
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Cd Cd+2 0 Cd 112.411
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Cit Cit-3 0 Cit 189.1013
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Cl Cl- 0 Cl 35.4527
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Cm Cm+3 0 Cm 247
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Cn Cn- 0 Cn 26.018
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Co Co+2 0 Co 58.9332
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Cr CrO4-2 0 CrO4 51.9961
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Cr(+2) Cr+2 0 Cr 51.9961
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Cr(+3) Cr+3 -1 Cr 51.9961
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Cr(+6) CrO4-2 1 CrO4 51.9961
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Cs Cs+ 0 Cs 132.9054
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Cu Cu+2 0 Cu 63.546
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Cu(+1) Cu+ 0 Cu 63.546
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Cu(+2) Cu+2 0 Cu 63.546
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Edta Edta-4 0 Edta 288.2134
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Eu Eu+3 0 Eu 151.965
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Eu(+2) Eu+2 0 Eu 151.965
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Eu(+3) Eu+3 0 Eu 151.965
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F F- 0 F 18.9984
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Fe Fe+2 0 Fe 55.847
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Fe(+2) Fe+2 0 Fe 55.847
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Fe(+3) Fe+3 0 Fe 55.847
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Glu HGlu- 0 Glu 194.138
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H H+ -1 H 1.0079
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H(+1) H+ -1 H 1.0079
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H(0) H2 0 H 1.0079
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Hf Hf+4 -4 Hf 178.49
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Ho Ho+3 0 Ho 164.9303
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I I- 0 I 126.9045
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I(+5) IO3- 0 I 126.9045
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I(-1) I- 0 I 126.9045
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Isa HIsa- 0 Isa 178.1421
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K K+ 0 K 39.0983
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Li Li+ 0 Li 6.941
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Malonate Malonate-2 0 Malonate 63.99
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Mg Mg+2 0 Mg 24.305
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Mn Mn+2 0 Mn 54.938
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Mo MoO4-2 0 Mo 95.94
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N NO3- 0 N 14.0067
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N(+5) NO3- 0 N 14.0067
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N(-3) NH3 1 N 14.0067
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Na Na+ 0 Na 22.9898
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Nb Nb(OH)6- 0 Nb 92.9064
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Ni Ni+2 0 Ni 58.69
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Np NpO2+2 0 Np 237.048
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Np(+3) Np+3 0 Np 237.048
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Np(+4) Np+4 0 Np 237.048
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Np(+5) NpO2+ 0 Np 237.048
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Np(+6) NpO2+2 0 Np 237.048
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Nta Nta-3 0 Nta 188.1165
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O H2O 0 O 15.999
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O(0) O2 0 O 15.9994
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O(-2) H2O 0 O 15.9994
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Ox Ox-2 0 Ox 88.0196
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P H2(PO4)- 1 P 30.9738
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Pa Pa+4 0 Pa 231.0359
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Pa(+4) Pa+4 0 Pa 231.0359
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Pa(+5) PaO2+ 0 Pa 231.0359
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Pb Pb+2 0 Pb 207.2
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Pd Pd+2 -2 Pd 106.42
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Phthalat Phthalat-2 0 Phthalat 164.084
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Pu PuO2+2 0 Pu 244
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Pu(+3) Pu+3 0 Pu 244
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Pu(+4) Pu+4 0 Pu 244
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Pu(+5) PuO2+ 0 Pu 244
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Pu(+6) PuO2+2 0 Pu 244
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Pyrophos Pyrophos-4 0 Pyrophos 173.95
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Ra Ra+2 0 Ra 226.025
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Rb Rb+ 0 Rb 85.4678
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S SO4-2 0 SO4 32.066
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S(+2) S2O3-2 0 S 32.066
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S(+3) S2O4-2 0 S2O4-2 128.128
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S(+4) SO3-2 0 S 32.066
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S(+6) SO4-2 0 SO4 32.066
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S(-2) HS- 1 S 32.066
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Sb Sb(OH)3 0 Sb 121.76
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Sb(+3) Sb(OH)3 0 Sb 121.76
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Sb(+5) Sb(OH)5 0 Sb 121.76
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Scn Scn- 0 Scn 58.084
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Se SeO4-2 0 Se 78.96
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Se(+4) SeO3-2 0 Se 78.96
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Se(+6) SeO4-2 0 Se 78.96
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Se(-2) HSe- 0 Se 78.96
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Si H4(SiO4) 0 Si 28.0855
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Sm Sm+3 0 Sm 150.36
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Sn Sn+2 -1 Sn 118.71
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Sn(+2) Sn+2 -1 Sn 118.71
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Sn(+4) Sn+4 -4 Sn 118.71
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Sr Sr+2 0 Sr 87.62
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Suberate Suberate-2 0 Suberate 170.16
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Succinat Succinat-2 0 Succinat 116.07
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Tc TcO(OH)2 0 Tc 98
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Tc(+4) TcO(OH)2 0 Tc 98
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Tc(+6) TcO4-2 0 Tc 98
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Tc(+7) TcO4- 0 Tc 98
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Th Th+4 -3 Th 232.0381
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U UO2+2 0 U 238.0289
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U(+3) U+3 0 U 238.0289
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U(+4) U+4 0 U 238.0289
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U(+5) UO2+ 0 U 238.0289
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U(+6) UO2+2 0 U 238.0289
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Zn Zn+2 0 Zn 65.39
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Zr Zr+4 -4 Zr 91.22
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SOLUTION_SPECIES
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1.000H2O = H2O
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#-llnl_gamma 3.4
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -285.83 #kJ/mol #89COX/WAG
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000H+ = H+
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#-llnl_gamma 4.1
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000e- = e-
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#-llnl_gamma 3.6
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Acetate- = Acetate-
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#-llnl_gamma 5.5
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -486.01 #kJ/mol #82WAG/EVA
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Adipate-2 = Adipate-2
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#-llnl_gamma 5.5
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: #kJ/mol
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Ag+ = Ag+
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#-llnl_gamma 4.1
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: 105.79 #kJ/mol #95SIL/BID
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Al+3 = Al+3
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#-llnl_gamma 8.2
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -538.4 #kJ/mol #95POK/HEL
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Am+3 = Am+3
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#-llnl_gamma 8.2
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -616.7 #kJ/mol #95SIL/BID
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000AsO4-3 = AsO4-3
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#-llnl_gamma 6.7
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -888.14 #kJ/mol #09RAN/FUG
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000B(OH)4- = B(OH)4-
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#-llnl_gamma 3.6
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -1345.116 #kJ/mol #99RAR/RAN
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Ba+2 = Ba+2
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#-llnl_gamma 5.7
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -534.8 #kJ/mol #95SIL/BID
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Br- = Br-
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#-llnl_gamma 3.6
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -121.41 #kJ/mol #95SIL/BID
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000CO3-2 = CO3-2
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#-llnl_gamma 4.7
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -675.23 #kJ/mol #89COX/WAG
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Ca+2 = Ca+2
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#-llnl_gamma 5.7
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -543 #kJ/mol #89COX/WAG
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Cd+2 = Cd+2
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#-llnl_gamma 5.7
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -75.92 #kJ/mol #89COX/WAG
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Cit-3 = Cit-3
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#-llnl_gamma 5.5
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -1519.92 #kJ/mol #05HUM/AND
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Cl- = Cl-
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#-llnl_gamma 3.6
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -167.08 #kJ/mol #89COX/WAG
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Cm+3 = Cm+3
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#-llnl_gamma 8.2
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -615 #kJ/mol #01KON2
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Cn- = Cn-
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#-llnl_gamma 3.6
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: 147.35 #kJ/mol #05OLI/NOL
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Co+2 = Co+2
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#-llnl_gamma 5.7
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -57.6 #kJ/mol #98PLY/ZHA1
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000CrO4-2 = CrO4-2
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#-llnl_gamma 4.7
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -879 #kJ/mol
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Cs+ = Cs+
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#-llnl_gamma 4.1
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -258 #kJ/mol #95SIL/BID
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Cu+2 = Cu+2
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#-llnl_gamma 5.7
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: 64.9 #kJ/mol #92GRE/FUG
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Edta-4 = Edta-4
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#-llnl_gamma 5.5
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -1704.8 #kJ/mol #05HUM/AND
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Eu+3 = Eu+3
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#-llnl_gamma 8.2
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -605.325 #kJ/mol
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000F- = F-
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#-llnl_gamma 3.6
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -335.35 #kJ/mol #95SIL/BID
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Fe+2 = Fe+2
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#-llnl_gamma 5.7
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -90 #kJ/mol #98CHI
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000H2(PO4)- = H2(PO4)-
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#-llnl_gamma 3.6
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -1302.6 #kJ/mol #89COX/WAG
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000H4(SiO4) = H4(SiO4)
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#-llnl_gamma 3.4
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -1461.194 #kJ/mol
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000HGlu- = HGlu-
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#-llnl_gamma 5.5
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: #kJ/mol
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000HIsa- = HIsa-
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#-llnl_gamma 5.5
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: #kJ/mol
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Hf+4 = Hf+4
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#-llnl_gamma 11.6
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -628.91 #kJ/mol #99VAS/LYT
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Ho+3 = Ho+3
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#-llnl_gamma 8.2
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -707.042 #kJ/mol
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000I- = I-
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#-llnl_gamma 3.6
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -56.78 #kJ/mol #92GRE/FUG
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000K+ = K+
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#-llnl_gamma 4.1
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -252.14 #kJ/mol #89COX/WAG
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Li+ = Li+
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#-llnl_gamma 4.1
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: -278.47 #kJ/mol #92GRE/FUG
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-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
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1.000Malonate-2 = Malonate-2
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#-llnl_gamma 5.5
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log_k 0.000
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delta_h 0.000 #kJ/mol
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# Enthalpy of formation: #kJ/mol
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 = Mg+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -467 #kJ/mol #89COX/WAG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 = Mn+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -220.8 #kJ/mol #95ROB/HEM
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000MoO4-2 = MoO4-2
|
|
#-llnl_gamma 4.7
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -997 #kJ/mol #74OHA
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NO3- = NO3-
|
|
#-llnl_gamma 3.6
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -206.85 #kJ/mol #92GRE/FUG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Na+ = Na+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -240.34 #kJ/mol #92GRE/FUG (89COX/WAG)
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Nb(OH)6- = Nb(OH)6-
|
|
#-llnl_gamma 3.6
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -1925.665 #kJ/mol #97SHO/SAS2
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 = Ni+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -55.012 #kJ/mol #05GAM/BUG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+2 = NpO2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -860.733 #kJ/mol #01LEM/FUG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Nta-3 = Nta-3
|
|
#-llnl_gamma 5.5
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ox-2 = Ox-2
|
|
#-llnl_gamma 5.5
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -830.66 #kJ/mol #05HUM/AND
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pa+4 = Pa+4
|
|
#-llnl_gamma 11.6
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -620 #kJ/mol #85BAR/PAR
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pb+2 = Pb+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: 0.92 #kJ/mol #89COX/WAG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pd+2 = Pd+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: 189.889 #kJ/mol
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Phthalat-2 = Phthalat-2
|
|
#-llnl_gamma 5.5
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000PuO2+2 = PuO2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -822.036 #kJ/mol #01LEM/FUG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pyrophos-4 = Pyrophos-4
|
|
#-llnl_gamma 9.6
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ra+2 = Ra+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -528.025 #kJ/mol
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Rb+ = Rb+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -251.12 #kJ/mol #92GRE/FUG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000SO4-2 = SO4-2
|
|
#-llnl_gamma 4.7
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -909.34 #kJ/mol #89COX/WAG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sb(OH)3 = Sb(OH)3
|
|
#-llnl_gamma 3.4
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -773.893 #kJ/mol
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Scn- = Scn-
|
|
#-llnl_gamma 3.6
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: 76.4 #kJ/mol #92GRE/FUG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000SeO4-2 = SeO4-2
|
|
#-llnl_gamma 4.7
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -603.5 #kJ/mol #05OLI/NOL
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sm+3 = Sm+3
|
|
#-llnl_gamma 8.2
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -691.198 #kJ/mol
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 = Sn+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -9.617 #kJ/mol #12GAM/GAJ
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 = Sr+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -550.9 #kJ/mol #84BUS/PLUS
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Suberate-2 = Suberate-2
|
|
#-llnl_gamma 5.5
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Succinat-2 = Succinat-2
|
|
#-llnl_gamma 5.5
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000TcO(OH)2 = TcO(OH)2
|
|
#-llnl_gamma 3.4
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -749.258 #kJ/mol
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 = Th+4
|
|
#-llnl_gamma 11.6
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -768.7 #kJ/mol #09RAN/FUG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 = UO2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -1019 #kJ/mol #92GRE/FUG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Zn+2 = Zn+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -153.39 #kJ/mol #92GRE/FUG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Zr+4 = Zr+4
|
|
#-llnl_gamma 11.6
|
|
log_k 0.000
|
|
delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -608.5 #kJ/mol #05BRO/CUR
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
|
|
1.000Am+3 + 1.000e- = Am+2
|
|
#-llnl_gamma 5.7
|
|
log_k -38.880 #95SIL/BID
|
|
delta_h 262.076 #kJ/mol
|
|
# Enthalpy of formation: -354.624 #kJ/mol
|
|
-analytic 7.03368E+0 0E+0 -1.36892E+4 0E+0 0E+0
|
|
|
|
1.000Am+3 - 1.000e- = Am+4
|
|
#-llnl_gamma 11.6
|
|
log_k -44.210
|
|
delta_h 210.700 #kJ/mol
|
|
# Enthalpy of formation: -406 #kJ/mol #95SIL/BID
|
|
-analytic -7.297E+0 0E+0 -1.10056E+4 0E+0 0E+0
|
|
|
|
- 4.000H+ + 1.000Am+3 - 2.000e- + 2.000H2O = AmO2+
|
|
#-llnl_gamma 4.1
|
|
log_k -58.370
|
|
delta_h 384.100 #kJ/mol #95SIL/BID
|
|
# Enthalpy of formation: -804.26 #kJ/mol
|
|
-analytic 8.92133E+0 0E+0 -2.00629E+4 0E+0 0E+0
|
|
|
|
- 4.000H+ + 1.000Am+3 - 3.000e- + 2.000H2O = AmO2+2
|
|
#-llnl_gamma 5.7
|
|
log_k -85.350
|
|
delta_h 537.600 #kJ/mol #95SIL/BID
|
|
# Enthalpy of formation: -650.76 #kJ/mol
|
|
-analytic 8.83334E+0 0E+0 -2.80808E+4 0E+0 0E+0
|
|
|
|
10.000H+ + 8.000e- + 1.000CO3-2 - 3.000H2O = CH4
|
|
#-llnl_gamma 3.4
|
|
log_k 37.930
|
|
delta_h -270.166 #kJ/mol
|
|
# Enthalpy of formation: -87.906 #kJ/mol #01SCH/SHO
|
|
-analytic -9.40098E+0 0E+0 1.41117E+4 0E+0 0E+0
|
|
|
|
8.000H+ + 4.000e- + 1.000CrO4-2 - 4.000H2O = Cr+2
|
|
#-llnl_gamma 5.7
|
|
log_k 67.220 #04CHI
|
|
delta_h -421.933 #kJ/mol
|
|
# Enthalpy of formation: -157.614 #kJ/mol
|
|
-analytic -6.69938E+0 0E+0 2.20391E+4 0E+0 0E+0
|
|
|
|
8.000H+ + 3.000e- + 1.000CrO4-2 - 4.000H2O = Cr+3
|
|
#-llnl_gamma 8.2
|
|
log_k 73.620
|
|
delta_h -504.820 #kJ/mol
|
|
# Enthalpy of formation: -240.5 #kJ/mol #04CHI
|
|
-analytic -1.48205E+1 0E+0 2.63685E+4 0E+0 0E+0
|
|
|
|
1.000Cu+2 + 1.000e- = Cu+
|
|
#-llnl_gamma 4.1
|
|
log_k 2.640
|
|
delta_h 6.770 #kJ/mol
|
|
# Enthalpy of formation: 71.67 #kJ/mol #82WAG/EVA
|
|
-analytic 3.82605E+0 0E+0 -3.53621E+2 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 1.000e- = Eu+2
|
|
#-llnl_gamma 5.7
|
|
log_k -5.970
|
|
delta_h 77.723 #kJ/mol
|
|
# Enthalpy of formation: -527.602 #kJ/mol #92JOH/OEL
|
|
-analytic 7.64647E+0 0E+0 -4.05975E+3 0E+0 0E+0
|
|
|
|
1.000Fe+2 - 1.000e- = Fe+3
|
|
#-llnl_gamma 8.2
|
|
log_k -13.010
|
|
delta_h 41.000 #kJ/mol
|
|
# Enthalpy of formation: -49 #kJ/mol #98CHI
|
|
-analytic -5.82712E+0 0E+0 -2.14158E+3 0E+0 0E+0
|
|
|
|
2.000H+ + 2.000e- = H2
|
|
#-llnl_gamma 3.4
|
|
log_k -3.080
|
|
delta_h -4.200 #kJ/mol
|
|
# Enthalpy of formation: -4.2 #kJ/mol #82WAG/EVA
|
|
-analytic -3.81581E+0 0E+0 2.19381E+2 0E+0 0E+0
|
|
|
|
5.000H+ + 2.000e- + 1.000AsO4-3 - 1.000H2O = H3(AsO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 40.020
|
|
delta_h -139.890 #kJ/mol
|
|
# Enthalpy of formation: -742.2 #kJ/mol #09RAN/FUG
|
|
-analytic 1.55124E+1 0E+0 7.30695E+3 0E+0 0E+0
|
|
|
|
9.000H+ + 8.000e- + 1.000SO4-2 - 4.000H2O = HS-
|
|
#-llnl_gamma 3.6
|
|
log_k 33.690
|
|
delta_h -250.280 #kJ/mol
|
|
# Enthalpy of formation: -16.3 #kJ/mol #89COX/WAG
|
|
-analytic -1.01571E+1 0E+0 1.3073E+4 0E+0 0E+0
|
|
|
|
9.000H+ + 8.000e- + 1.000SeO4-2 - 4.000H2O = HSe-
|
|
#-llnl_gamma 3.6
|
|
log_k 81.570
|
|
delta_h -525.520 #kJ/mol
|
|
# Enthalpy of formation: 14.3 #kJ/mol #05OLI/NOL
|
|
-analytic -1.0497E+1 0E+0 2.74498E+4 0E+0 0E+0
|
|
|
|
- 6.000H+ - 6.000e- + 1.000I- + 3.000H2O = IO3-
|
|
#-llnl_gamma 3.6
|
|
log_k -111.560
|
|
delta_h 694.570 #kJ/mol
|
|
# Enthalpy of formation: -219.7 #kJ/mol #92GRE/FUG
|
|
-analytic 1.01233E+1 0E+0 -3.62799E+4 0E+0 0E+0
|
|
|
|
9.000H+ + 8.000e- + 1.000NO3- - 3.000H2O = NH3
|
|
#-llnl_gamma 3.4
|
|
log_k 109.900
|
|
delta_h -731.810 #kJ/mol
|
|
# Enthalpy of formation: -81.17 #kJ/mol #95SIL/BID
|
|
-analytic -1.83074E+1 0E+0 3.8225E+4 0E+0 0E+0
|
|
|
|
1.000Np+4 + 1.000e- = Np+3
|
|
#-llnl_gamma 8.2
|
|
log_k 3.590
|
|
delta_h 28.838 #kJ/mol
|
|
# Enthalpy of formation: -527.184 #kJ/mol #01LEM/FUG
|
|
-analytic 8.64219E+0 0E+0 -1.50631E+3 0E+0 0E+0
|
|
|
|
1.000NpO2+ + 4.000H+ + 1.000e- - 2.000H2O = Np+4
|
|
#-llnl_gamma 11.6
|
|
log_k 10.320
|
|
delta_h -149.501 #kJ/mol
|
|
# Enthalpy of formation: -556.022 #kJ/mol #01LEM/FUG
|
|
-analytic -1.58714E+1 0E+0 7.80897E+3 0E+0 0E+0
|
|
|
|
1.000NpO2+2 + 1.000e- = NpO2+
|
|
#-llnl_gamma 4.1
|
|
log_k 19.590
|
|
delta_h -117.448 #kJ/mol
|
|
# Enthalpy of formation: -978.181 #kJ/mol #01LEM/FUG
|
|
-analytic -9.85976E-1 0E+0 6.13473E+3 0E+0 0E+0
|
|
|
|
- 4.000H+ - 4.000e- + 2.000H2O = O2
|
|
#-llnl_gamma 3.4
|
|
log_k -85.990
|
|
delta_h 559.526 #kJ/mol
|
|
# Enthalpy of formation: -12.134 #kJ/mol #89SHO/HEL (Uncertainty in order to cover available data)
|
|
-analytic 1.20346E+1 0E+0 -2.9226E+4 0E+0 0E+0
|
|
|
|
- 4.000H+ - 1.000e- + 1.000Pa+4 + 2.000H2O = PaO2+
|
|
#-llnl_gamma 4.1
|
|
log_k 4.220 #85BAR/PAR, 76BAE/MES
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.22E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 1.000e- = Pu+3
|
|
#-llnl_gamma 8.2
|
|
log_k 17.690
|
|
delta_h -51.895 #kJ/mol
|
|
# Enthalpy of formation: -591.79 #kJ/mol #01LEM/FUG
|
|
-analytic 8.5984E+0 0E+0 2.71066E+3 0E+0 0E+0
|
|
|
|
1.000PuO2+ + 4.000H+ + 1.000e- - 2.000H2O = Pu+4
|
|
#-llnl_gamma 11.6
|
|
log_k 17.450
|
|
delta_h -201.428 #kJ/mol
|
|
# Enthalpy of formation: -539.895 #kJ/mol #01LEM/FUG
|
|
-analytic -1.78386E+1 0E+0 1.05213E+4 0E+0 0E+0
|
|
|
|
1.000PuO2+2 + 1.000e- = PuO2+
|
|
#-llnl_gamma 4.1
|
|
log_k 15.820
|
|
delta_h -88.091 #kJ/mol #01LEM/FUG
|
|
# Enthalpy of formation: -910.127 #kJ/mol
|
|
-analytic 3.87142E-1 0E+0 4.60131E+3 0E+0 0E+0
|
|
|
|
10.000H+ + 8.000e- + 2.000SO4-2 - 5.000H2O = S2O3-2
|
|
#-llnl_gamma 4.7
|
|
log_k 38.570
|
|
delta_h -262.756 #kJ/mol
|
|
# Enthalpy of formation: -652.286 #kJ/mol #04CHI
|
|
-analytic -7.46281E+0 0E+0 1.37247E+4 0E+0 0E+0
|
|
|
|
8.000H+ + 6.000e- + 2.000SO4-2 - 4.000H2O = S2O4-2
|
|
#-llnl_gamma 4.7
|
|
log_k 10.700
|
|
delta_h -78.140 #kJ/mol
|
|
# Enthalpy of formation: -753.5 #kJ/mol #82WAG/EVA
|
|
-analytic -2.98952E+0 0E+0 4.08153E+3 0E+0 0E+0
|
|
|
|
2.000H+ + 2.000e- + 1.000SO4-2 - 1.000H2O = SO3-2
|
|
#-llnl_gamma 4.7
|
|
log_k -3.620
|
|
delta_h -7.550 #kJ/mol
|
|
# Enthalpy of formation: -631.06 #kJ/mol #85GOL/PAR
|
|
-analytic -4.9427E+0 0E+0 3.94363E+2 0E+0 0E+0
|
|
|
|
- 2.000H+ - 2.000e- + 1.000Sb(OH)3 + 2.000H2O = Sb(OH)5
|
|
#-llnl_gamma 3.4
|
|
log_k -21.740 #99LOT/OCH recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.174E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000H+ + 2.000e- + 1.000SeO4-2 - 1.000H2O = SeO3-2
|
|
#-llnl_gamma 4.7
|
|
log_k 28.040 #05OLI/NOL
|
|
delta_h -189.490 #kJ/mol
|
|
# Enthalpy of formation: -507.16 #kJ/mol #05OLI/NOL
|
|
-analytic -5.15717E+0 0E+0 9.89774E+3 0E+0 0E+0
|
|
|
|
1.000Sn+2 - 2.000e- = Sn+4
|
|
#-llnl_gamma 11.6
|
|
log_k -12.980 #12GAM/GAJ; Eº=0.384V for Sn2+/Sn4+ reaction ( I=0)
|
|
delta_h -21.894 #kJ/mol
|
|
# Enthalpy of formation: -31.511 #kJ/mol
|
|
-analytic -1.68157E+1 0E+0 1.1436E+3 0E+0 0E+0
|
|
|
|
1.000TcO(OH)2 - 4.000H+ - 3.000e- + 1.000H2O = TcO4-
|
|
#-llnl_gamma 3.6
|
|
log_k -29.430
|
|
delta_h 305.688 #kJ/mol
|
|
# Enthalpy of formation: -729.4 #kJ/mol #99RAR/RAN
|
|
-analytic 2.41242E+1 0E+0 -1.59672E+4 0E+0 0E+0
|
|
|
|
1.000e- + 1.000TcO4- = TcO4-2
|
|
#-llnl_gamma 4.7
|
|
log_k -10.800 #99RAR/RAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.08E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 + 1.000e- = U+3
|
|
#-llnl_gamma 8.2
|
|
log_k -9.350 #92GRE/FUG
|
|
delta_h 102.100 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -489.1 #kJ/mol
|
|
-analytic 8.53713E+0 0E+0 -5.33305E+3 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 4.000H+ + 2.000e- - 2.000H2O = U+4
|
|
#-llnl_gamma 11.6
|
|
log_k 9.040 #92GRE/FUG
|
|
delta_h -143.860 #kJ/mol
|
|
# Enthalpy of formation: -591.2 #kJ/mol #92GRE/FUG
|
|
-analytic -1.61632E+1 0E+0 7.51432E+3 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000e- = UO2+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.480
|
|
delta_h -6.127 #kJ/mol
|
|
# Enthalpy of formation: -1025.127 #kJ/mol
|
|
-analytic 4.06597E-1 0E+0 3.20035E+2 0E+0 0E+0
|
|
|
|
|
|
2.000NpO2+2 - 2.000H+ + 2.000H2O = (NpO2)2(OH)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k -6.270 #01LEM/FUG
|
|
delta_h 44.995 #kJ/mol
|
|
# Enthalpy of formation: -2248.13 #kJ/mol
|
|
-analytic 1.61277E+0 0E+0 -2.35025E+3 0E+0 0E+0
|
|
|
|
2.000NpO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (NpO2)2CO3(OH)3-
|
|
#-llnl_gamma 3.6
|
|
log_k -2.870 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.87E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000NpO2+2 + 6.000CO3-2 = (NpO2)3(CO3)6-6
|
|
#-llnl_gamma 18.1
|
|
log_k 49.840 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.984E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000NpO2+2 - 5.000H+ + 5.000H2O = (NpO2)3(OH)5+
|
|
#-llnl_gamma 4.1
|
|
log_k -17.120 #01LEM/FUG
|
|
delta_h 110.665 #kJ/mol
|
|
# Enthalpy of formation: -3900.682 #kJ/mol
|
|
-analytic 2.26765E+0 0E+0 -5.78043E+3 0E+0 0E+0
|
|
|
|
2.000PuO2+2 - 2.000H+ + 2.000H2O = (PuO2)2(OH)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k -7.500 #01LEM/FUG
|
|
delta_h 43.583 #kJ/mol
|
|
# Enthalpy of formation: -2172.149 #kJ/mol
|
|
-analytic 1.35403E-1 0E+0 -2.2765E+3 0E+0 0E+0
|
|
|
|
3.000PuO2+2 + 6.000CO3-2 = (PuO2)3(CO3)6-6
|
|
#-llnl_gamma 18.1
|
|
log_k 46.020 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.602E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000TcO(OH)2 - 1.000H+ + 1.000H2O = (TcO)(OH)3-
|
|
#-llnl_gamma 3.6
|
|
log_k -10.800
|
|
delta_h 39.030 #kJ/mol #97NGU/LAN
|
|
# Enthalpy of formation: -996.058 #kJ/mol
|
|
-analytic -3.96225E+0 0E+0 -2.03868E+3 0E+0 0E+0
|
|
|
|
2.000Th+4 - 2.000H+ + 2.000Edta-4 + 2.000H2O = (Th(OH)(Edta))2-2
|
|
#-llnl_gamma 5.5
|
|
log_k 43.700 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.37E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000U+4 - 2.000H+ + 2.000Edta-4 + 2.000H2O = (U(OH)(Edta))2-2
|
|
#-llnl_gamma 5.5
|
|
log_k 51.700 #63ERM/KRO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.17E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
11.000UO2+2 - 12.000H+ + 6.000CO3-2 + 12.000H2O = (UO2)11(CO3)6(OH)12-2
|
|
#-llnl_gamma 4.7
|
|
log_k 36.430 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.643E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000UO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (UO2)2(CO3)(OH)3-
|
|
#-llnl_gamma 3.6
|
|
log_k -0.860 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -8.6E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000UO2+2 + 2.000Cit-3 = (UO2)2(Cit)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k 21.300 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.13E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000UO2+2 + 1.000Edta-4 = (UO2)2(Edta)
|
|
#-llnl_gamma 5.5
|
|
log_k 20.600 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000UO2+2 + 1.000NpO2+2 + 6.000CO3-2 = (UO2)2(NpO2)(CO3)6-6
|
|
#-llnl_gamma 18.1
|
|
log_k 53.590 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.359E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000UO2+2 - 1.000H+ + 1.000H2O = (UO2)2(OH)+3
|
|
#-llnl_gamma 8.2
|
|
log_k -2.700 #92GRE/FUG
|
|
delta_h 14.353 #kJ/mol
|
|
# Enthalpy of formation: -2309.477 #kJ/mol
|
|
-analytic -1.85466E-1 0E+0 -7.49708E+2 0E+0 0E+0
|
|
|
|
2.000UO2+2 - 2.000H+ + 2.000H2O = (UO2)2(OH)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k -5.620 #92GRE/FUG
|
|
delta_h 37.595 #kJ/mol
|
|
# Enthalpy of formation: -2572.065 #kJ/mol
|
|
-analytic 9.66352E-1 0E+0 -1.96372E+3 0E+0 0E+0
|
|
|
|
3.000UO2+2 - 3.000H+ + 1.000CO3-2 + 3.000H2O = (UO2)3(CO3)(OH)3+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.660 #92GRE/FUG
|
|
delta_h 81.131 #kJ/mol
|
|
# Enthalpy of formation: -4508.589 #kJ/mol
|
|
-analytic 1.48735E+1 0E+0 -4.23776E+3 0E+0 0E+0
|
|
|
|
3.000UO2+2 + 6.000CO3-2 = (UO2)3(CO3)6-6
|
|
#-llnl_gamma 18.1
|
|
log_k 54.000 #92GRE/FUG
|
|
delta_h -62.700 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -7171.08 #kJ/mol
|
|
-analytic 4.30154E+1 0E+0 3.27504E+3 0E+0 0E+0
|
|
|
|
3.000UO2+2 - 4.000H+ + 4.000H2O = (UO2)3(OH)4+2
|
|
#-llnl_gamma 5.7
|
|
log_k -11.900 #92GRE/FUG
|
|
delta_h 84.264 #kJ/mol
|
|
# Enthalpy of formation: -4116.056 #kJ/mol
|
|
-analytic 2.8624E+0 0E+0 -4.40141E+3 0E+0 0E+0
|
|
|
|
3.000UO2+2 - 5.000H+ + 5.000H2O = (UO2)3(OH)5+
|
|
#-llnl_gamma 4.1
|
|
log_k -15.550 #92GRE/FUG
|
|
delta_h 97.063 #kJ/mol
|
|
# Enthalpy of formation: -4389.086 #kJ/mol
|
|
-analytic 1.45468E+0 0E+0 -5.06995E+3 0E+0 0E+0
|
|
|
|
3.000UO2+2 - 7.000H+ + 7.000H2O = (UO2)3(OH)7-
|
|
#-llnl_gamma 3.6
|
|
log_k -32.200 #92SAN/BRU
|
|
delta_h 227.015 #kJ/mol
|
|
# Enthalpy of formation: -4830.794 #kJ/mol
|
|
-analytic 7.57126E+0 0E+0 -1.18578E+4 0E+0 0E+0
|
|
|
|
4.000UO2+2 - 7.000H+ + 7.000H2O = (UO2)4(OH)7+
|
|
#-llnl_gamma 4.1
|
|
log_k -21.900 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.19E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ag+ + 2.000CO3-2 = Ag(CO3)2-3
|
|
#-llnl_gamma 6.7
|
|
log_k 2.160 #97SVE/SHO
|
|
delta_h -28.115 #kJ/mol
|
|
# Enthalpy of formation: -1272.786 #kJ/mol
|
|
-analytic -2.76553E+0 0E+0 1.46855E+3 0E+0 0E+0
|
|
|
|
1.000Ag+ + 1.000HS- = Ag(HS)
|
|
#-llnl_gamma 3.4
|
|
log_k 14.050 #74NAU/RYZ in 91BAL/NOR
|
|
delta_h -78.811 #kJ/mol
|
|
# Enthalpy of formation: 10.679 #kJ/mol
|
|
-analytic 2.42926E-1 0E+0 4.11658E+3 0E+0 0E+0
|
|
|
|
1.000Ag+ + 2.000HS- = Ag(HS)2-
|
|
#-llnl_gamma 3.6
|
|
log_k 18.450 #74NAU/RYZ in 91BAL/NOR
|
|
delta_h -105.805 #kJ/mol
|
|
# Enthalpy of formation: -32.615 #kJ/mol
|
|
-analytic -8.62131E-2 0E+0 5.52657E+3 0E+0 0E+0
|
|
|
|
1.000Ag+ - 1.000H+ + 1.000H2O = Ag(OH)
|
|
#-llnl_gamma 3.4
|
|
log_k -12.000 #76BAE/MES
|
|
delta_h 47.198 #kJ/mol
|
|
# Enthalpy of formation: -132.842 #kJ/mol
|
|
-analytic -3.73128E+0 0E+0 -2.46532E+3 0E+0 0E+0
|
|
|
|
1.000Ag+ - 2.000H+ + 2.000H2O = Ag(OH)2-
|
|
#-llnl_gamma 3.6
|
|
log_k -24.000 #76BAE/MES
|
|
delta_h 111.635 #kJ/mol
|
|
# Enthalpy of formation: -354.235 #kJ/mol
|
|
-analytic -4.44242E+0 0E+0 -5.83109E+3 0E+0 0E+0
|
|
|
|
1.000Ag+ + 1.000S2O3-2 = Ag(S2O3)-
|
|
#-llnl_gamma 3.6
|
|
log_k 9.230 #74BEL/MAR in 82HÖG
|
|
delta_h -58.994 #kJ/mol #74BEL/MAR in 82HÖG
|
|
# Enthalpy of formation: -605.49 #kJ/mol
|
|
-analytic -1.10529E+0 0E+0 3.08147E+3 0E+0 0E+0
|
|
|
|
1.000Ag+ + 2.000S2O3-2 = Ag(S2O3)2-3
|
|
#-llnl_gamma 6.7
|
|
log_k 13.640 #72POU/RIG in 82HÖG
|
|
delta_h -86.918 #kJ/mol
|
|
# Enthalpy of formation: -1285.7 #kJ/mol #82WAG/EVA
|
|
-analytic -1.58736E+0 0E+0 4.54004E+3 0E+0 0E+0
|
|
|
|
1.000Ag+ + 1.000SO3-2 = Ag(SO3)-
|
|
#-llnl_gamma 3.6
|
|
log_k 5.430
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.43E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ag+ + 1.000SO4-2 = Ag(SO4)-
|
|
#-llnl_gamma 3.6
|
|
log_k 1.380
|
|
delta_h 4.645 #kJ/mol
|
|
# Enthalpy of formation: -798.904 #kJ/mol
|
|
-analytic 2.19377E+0 0E+0 -2.42625E+2 0E+0 0E+0
|
|
|
|
1.000Ag+ - 3.000H+ - 6.000e- + 3.000Cn- + 3.000HSe- = Ag(SeCn)3-2
|
|
#-llnl_gamma 4.7
|
|
log_k 52.930
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.293E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ag+ + 1.000SeO3-2 = Ag(SeO3)-
|
|
#-llnl_gamma 3.6
|
|
log_k 3.200 #Data from 68MEH and 69MEH/GUB in 05OLI/NOL corrected to I=0 by DH
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.2E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ag+ + 1.000Br- = AgBr
|
|
#-llnl_gamma 3.4
|
|
log_k 4.240 #91BAL/NOR, 68WAG
|
|
delta_h -23.129 #kJ/mol
|
|
# Enthalpy of formation: -38.748 #kJ/mol
|
|
-analytic 1.87979E-1 0E+0 1.20811E+3 0E+0 0E+0
|
|
|
|
1.000Ag+ + 2.000Br- = AgBr2-
|
|
#-llnl_gamma 3.6
|
|
log_k 7.280 #91BAL/NOR, 68WAG
|
|
delta_h -45.296 #kJ/mol
|
|
# Enthalpy of formation: -182.325 #kJ/mol
|
|
-analytic -6.55507E-1 0E+0 2.36597E+3 0E+0 0E+0
|
|
|
|
1.000Ag+ + 3.000Br- = AgBr3-2
|
|
#-llnl_gamma 4.7
|
|
log_k 8.710 #91BAL/NOR, 68WAG
|
|
delta_h -66.741 #kJ/mol
|
|
# Enthalpy of formation: -325.18 #kJ/mol
|
|
-analytic -2.9825E+0 0E+0 3.48612E+3 0E+0 0E+0
|
|
|
|
1.000Ag+ + 1.000CO3-2 = AgCO3-
|
|
#-llnl_gamma 3.6
|
|
log_k 2.690 #97SVE/SHO
|
|
delta_h -22.838 #kJ/mol
|
|
# Enthalpy of formation: -592.278 #kJ/mol
|
|
-analytic -1.31104E+0 0E+0 1.19291E+3 0E+0 0E+0
|
|
|
|
1.000Ag+ + 1.000Cl- = AgCl
|
|
#-llnl_gamma 3.4
|
|
log_k 3.270 #91BAL/NOR
|
|
delta_h -17.100 #kJ/mol
|
|
# Enthalpy of formation: -78.39 #kJ/mol
|
|
-analytic 2.74213E-1 0E+0 8.93194E+2 0E+0 0E+0
|
|
|
|
1.000Ag+ + 2.000Cl- = AgCl2-
|
|
#-llnl_gamma 3.6
|
|
log_k 5.270 #91BAL/NOR
|
|
delta_h -28.754 #kJ/mol
|
|
# Enthalpy of formation: -257.124 #kJ/mol
|
|
-analytic 2.32523E-1 0E+0 1.50192E+3 0E+0 0E+0
|
|
|
|
1.000Ag+ + 3.000Cl- = AgCl3-2
|
|
#-llnl_gamma 4.7
|
|
log_k 5.290 #91BAL/NOR
|
|
delta_h -29.167 #kJ/mol
|
|
# Enthalpy of formation: -424.616 #kJ/mol
|
|
-analytic 1.80168E-1 0E+0 1.5235E+3 0E+0 0E+0
|
|
|
|
1.000Ag+ + 4.000Cl- = AgCl4-3
|
|
#-llnl_gamma 6.7
|
|
log_k 5.510 #91BAL/NOR
|
|
delta_h -26.099 #kJ/mol
|
|
# Enthalpy of formation: -588.628 #kJ/mol
|
|
-analytic 9.37658E-1 0E+0 1.36324E+3 0E+0 0E+0
|
|
|
|
1.000Ag+ + 1.000I- = AgI
|
|
#-llnl_gamma 3.4
|
|
log_k 6.580 #76SMI/MAR
|
|
delta_h -36.962 #kJ/mol
|
|
# Enthalpy of formation: 12.048 #kJ/mol
|
|
-analytic 1.04545E-1 0E+0 1.93066E+3 0E+0 0E+0
|
|
|
|
1.000Ag+ + 2.000I- = AgI2-
|
|
#-llnl_gamma 3.6
|
|
log_k 11.700 #76SMI/MAR
|
|
delta_h -76.578 #kJ/mol
|
|
# Enthalpy of formation: -84.347 #kJ/mol
|
|
-analytic -1.71587E+0 0E+0 3.99994E+3 0E+0 0E+0
|
|
|
|
1.000Ag+ + 3.000I- = AgI3-2
|
|
#-llnl_gamma 4.7
|
|
log_k 13.280
|
|
delta_h -114.914 #kJ/mol
|
|
# Enthalpy of formation: -179.463 #kJ/mol
|
|
-analytic -6.85204E+0 0E+0 6.00237E+3 0E+0 0E+0
|
|
|
|
1.000Ag+ + 1.000NO3- = AgNO3
|
|
#-llnl_gamma 3.4
|
|
log_k -0.290 #91BAL/NOR, 68WAG
|
|
delta_h -0.740 #kJ/mol
|
|
# Enthalpy of formation: -101.8 #kJ/mol #82WAG/EVA
|
|
-analytic -4.19642E-1 0E+0 3.86528E+1 0E+0 0E+0
|
|
|
|
1.000Al+3 + 1.000Cit-3 = Al(Cit)
|
|
#-llnl_gamma 5.5
|
|
log_k 9.900 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.9E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 - 1.000H+ + 2.000Cit-3 + 1.000H2O = Al(Cit)2(OH)-4
|
|
#-llnl_gamma 5.5
|
|
log_k 10.190 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.019E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 + 2.000Cit-3 = Al(Cit)2-3
|
|
#-llnl_gamma 5.5
|
|
log_k 14.130 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.413E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 + 1.000Edta-4 = Al(Edta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 19.080 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.908E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 + 1.000H+ + 1.000Cit-3 = Al(HCit)+
|
|
#-llnl_gamma 5.5
|
|
log_k 12.900 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 + 1.000H+ + 1.000Edta-4 = Al(HEdta)
|
|
#-llnl_gamma 5.5
|
|
log_k 21.820 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.182E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 + 1.000H+ + 1.000Nta-3 = Al(HNta)+
|
|
#-llnl_gamma 5.5
|
|
log_k 15.130 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.513E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 + 1.000H+ + 1.000Ox-2 = Al(HOx)+2
|
|
#-llnl_gamma 5.5
|
|
log_k 7.500 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 + 1.000IO3- = Al(IO3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.460 #estimation NEA87 08/2/95
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.46E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 + 2.000IO3- = Al(IO3)2+
|
|
#-llnl_gamma 4.1
|
|
log_k 4.300 #estimation NEA87 08/2/95
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.3E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 + 1.000Nta-3 = Al(Nta)
|
|
#-llnl_gamma 5.5
|
|
log_k 13.230 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.323E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Al(Nta)(OH)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k -0.300 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 + 2.000Nta-3 = Al(Nta)2-3
|
|
#-llnl_gamma 5.5
|
|
log_k 20.800 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.08E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Al(OH)(Cit)-
|
|
#-llnl_gamma 5.5
|
|
log_k 8.100 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.1E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Al(OH)(Edta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 13.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Al(OH)(Nta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 6.790 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 - 1.000H+ + 1.000H2O = Al(OH)+2
|
|
#-llnl_gamma 5.7
|
|
log_k -4.950 #95POK/HEL
|
|
delta_h 49.759 #kJ/mol
|
|
# Enthalpy of formation: -774.471 #kJ/mol
|
|
-analytic 3.76739E+0 0E+0 -2.59909E+3 0E+0 0E+0
|
|
|
|
1.000Al+3 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Al(OH)2(Edta)-3
|
|
#-llnl_gamma 5.5
|
|
log_k 2.300 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 - 2.000H+ + 2.000H2O = Al(OH)2+
|
|
#-llnl_gamma 4.1
|
|
log_k -10.580
|
|
delta_h 98.264 #kJ/mol
|
|
# Enthalpy of formation: -1011.796 #kJ/mol #95POK/HEL
|
|
-analytic 6.63509E+0 0E+0 -5.13268E+3 0E+0 0E+0
|
|
|
|
1.000Al+3 - 2.000H+ + 1.000F- + 2.000H2O = Al(OH)2F
|
|
#-llnl_gamma 3.4
|
|
log_k -4.210
|
|
delta_h 118.636 #kJ/mol
|
|
# Enthalpy of formation: -1326.774 #kJ/mol #01TAG/SCH
|
|
-analytic 1.65741E+1 0E+0 -6.19678E+3 0E+0 0E+0
|
|
|
|
1.000Al+3 - 2.000H+ + 2.000F- + 2.000H2O = Al(OH)2F2-
|
|
#-llnl_gamma 3.6
|
|
log_k -1.990
|
|
delta_h 134.839 #kJ/mol
|
|
# Enthalpy of formation: -1645.921 #kJ/mol #01TAG/SCH
|
|
-analytic 2.16327E+1 0E+0 -7.04312E+3 0E+0 0E+0
|
|
|
|
1.000Al+3 - 3.000H+ + 3.000H2O = Al(OH)3
|
|
#-llnl_gamma 3.4
|
|
log_k -16.420
|
|
delta_h 144.686 #kJ/mol
|
|
# Enthalpy of formation: -1251.204 #kJ/mol #95POK/HEL
|
|
-analytic 8.92786E+0 0E+0 -7.55747E+3 0E+0 0E+0
|
|
|
|
1.000Al+3 - 4.000H+ + 4.000H2O = Al(OH)4-
|
|
#-llnl_gamma 3.6
|
|
log_k -22.870
|
|
delta_h 180.881 #kJ/mol
|
|
# Enthalpy of formation: -1500.839 #kJ/mol #95POK/HEL
|
|
-analytic 8.81894E+0 0E+0 -9.44806E+3 0E+0 0E+0
|
|
|
|
1.000Al+3 + 1.000Ox-2 = Al(Ox)+
|
|
#-llnl_gamma 5.5
|
|
log_k 9.400 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.4E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 + 2.000Ox-2 = Al(Ox)2-
|
|
#-llnl_gamma 5.5
|
|
log_k 15.390 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.539E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 + 3.000Ox-2 = Al(Ox)3-3
|
|
#-llnl_gamma 5.5
|
|
log_k 18.300 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 + 1.000SO4-2 = Al(SO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 3.170 #01TAG/SCH
|
|
delta_h 18.869 #kJ/mol
|
|
# Enthalpy of formation: -1428.87 #kJ/mol
|
|
-analytic 6.4757E+0 0E+0 -9.85595E+2 0E+0 0E+0
|
|
|
|
2.000Al+3 - 2.000H+ + 4.000Ox-2 + 2.000H2O = Al2(Ox)4(OH)2-4
|
|
#-llnl_gamma 5.5
|
|
log_k 22.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.2E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000Al+3 - 4.000H+ + 3.000Cit-3 + 4.000H2O = Al3(Cit)3(OH)4-4
|
|
#-llnl_gamma 5.5
|
|
log_k 20.600 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000Al+3 - 3.000H+ + 3.000Ox-2 + 3.000H2O = Al3(Ox)3(OH)3
|
|
#-llnl_gamma 5.5
|
|
log_k 16.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
4.000Al+3 - 4.000H+ + 4.000Ox-2 + 4.000H2O = Al4(Ox)4(OH)4
|
|
#-llnl_gamma 5.5
|
|
log_k 21.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.1E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Al+3 + 1.000F- = AlF+2
|
|
#-llnl_gamma 5.7
|
|
log_k 6.980 #01TAG/SCH
|
|
delta_h -0.345 #kJ/mol
|
|
# Enthalpy of formation: -874.094 #kJ/mol
|
|
-analytic 6.91956E+0 0E+0 1.80206E+1 0E+0 0E+0
|
|
|
|
1.000Al+3 + 2.000F- = AlF2+
|
|
#-llnl_gamma 4.1
|
|
log_k 12.500 #01TAG/SCH
|
|
delta_h 74.869 #kJ/mol
|
|
# Enthalpy of formation: -1134.23 #kJ/mol
|
|
-analytic 2.56165E+1 0E+0 -3.91067E+3 0E+0 0E+0
|
|
|
|
1.000Al+3 + 3.000F- = AlF3
|
|
#-llnl_gamma 3.4
|
|
log_k 16.550 #01TAG/SCH
|
|
delta_h 0.616 #kJ/mol
|
|
# Enthalpy of formation: -1543.833 #kJ/mol
|
|
-analytic 1.66579E+1 0E+0 -3.21759E+1 0E+0 0E+0
|
|
|
|
1.000Al+3 + 4.000F- = AlF4-
|
|
#-llnl_gamma 3.6
|
|
log_k 18.930 #01TAG/SCH
|
|
delta_h 0.824 #kJ/mol
|
|
# Enthalpy of formation: -1878.974 #kJ/mol
|
|
-analytic 1.90744E+1 0E+0 -4.30405E+1 0E+0 0E+0
|
|
|
|
1.000Al+3 - 1.000H+ + 1.000H4(SiO4) = AlH3SiO4+2
|
|
#-llnl_gamma 5.7
|
|
log_k -2.380 #01TAG/SCH
|
|
delta_h 77.382 #kJ/mol
|
|
# Enthalpy of formation: -1922.212 #kJ/mol
|
|
-analytic 1.11767E+1 0E+0 -4.04194E+3 0E+0 0E+0
|
|
|
|
1.000Al+3 - 1.000H+ + 2.000F- + 1.000H2O = AlOHF2
|
|
#-llnl_gamma 3.4
|
|
log_k 0.210
|
|
delta_h 139.337 #kJ/mol
|
|
# Enthalpy of formation: -1355.593 #kJ/mol #01TAG/SCH
|
|
-analytic 2.46208E+1 0E+0 -7.27807E+3 0E+0 0E+0
|
|
|
|
1.000Am+3 + 1.000Acetate- = Am(Acetate)+2
|
|
#-llnl_gamma 5.5
|
|
log_k 2.940 #11RIC/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.94E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Am+3 + 2.000Acetate- = Am(Acetate)2+
|
|
#-llnl_gamma 5.5
|
|
log_k 5.070 #69MOS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.07E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Am+3 + 3.000Acetate- = Am(Acetate)3
|
|
#-llnl_gamma 5.5
|
|
log_k 6.540 #69MOS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.54E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Am+3 + 1.000CO3-2 = Am(CO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 7.900 #recalculated from 03GUI/FAN
|
|
delta_h 158.156 #kJ/mol
|
|
# Enthalpy of formation: -1133.775 #kJ/mol
|
|
-analytic 3.56077E+1 0E+0 -8.26105E+3 0E+0 0E+0
|
|
|
|
1.000Am+3 + 2.000CO3-2 = Am(CO3)2-
|
|
#-llnl_gamma 3.6
|
|
log_k 12.600 #recalculated from 03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Am+3 + 3.000CO3-2 = Am(CO3)3-3
|
|
#-llnl_gamma 6.7
|
|
log_k 14.600 #Recalculated from 03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Am+3 - 1.000e- + 5.000CO3-2 = Am(CO3)5-6
|
|
#-llnl_gamma 18.1
|
|
log_k -5.100 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.1E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Am+3 + 1.000Cit-3 = Am(Cit)
|
|
#-llnl_gamma 5.5
|
|
log_k 8.550 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.55E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Am+3 + 2.000Cit-3 = Am(Cit)2-3
|
|
#-llnl_gamma 5.5
|
|
log_k 13.900 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Am+3 + 1.000Edta-4 = Am(Edta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 19.670 #05HUM/AND
|
|
delta_h -10.600 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -2332.1 #kJ/mol
|
|
-analytic 1.7813E+1 0E+0 5.53676E+2 0E+0 0E+0
|
|
|
|
1.000Am+3 + 1.000H2(PO4)- = Am(H2PO4)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 3.000 #95SIL/BID
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Am+3 + 1.000CO3-2 = Am(HCO3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 13.430 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.343E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Am+3 + 1.000Cit-3 = Am(HCit)+
|
|
#-llnl_gamma 5.5
|
|
log_k 12.860 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.286E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000Am+3 + 2.000Cit-3 = Am(HCit)2-
|
|
#-llnl_gamma 5.5
|
|
log_k 23.520 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.352E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Am+3 + 1.000Edta-4 = Am(HEdta)
|
|
#-llnl_gamma 5.5
|
|
log_k 21.840 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.184E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000Am+3 + 1.000H2(PO4)- = Am(HPO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k -1.740 #ANDRA report (C RP 0ENQ 02-001, Estimations from lanthanides)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.74E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 2.000H+ + 1.000Am+3 + 2.000H2(PO4)- = Am(HPO4)2-
|
|
#-llnl_gamma 3.6
|
|
log_k -5.310 #ANDRA report (C RP 0ENQ 02-001, Estimations from lanthanides)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.31E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Am+3 + 1.000NO3- = Am(NO3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 1.330 #95SIL/BID
|
|
delta_h 1.800 #kJ/mol #09SKE/PAN
|
|
# Enthalpy of formation: -821.75 #kJ/mol
|
|
-analytic 1.64535E+0 0E+0 -9.40204E+1 0E+0 0E+0
|
|
|
|
1.000Am+3 + 1.000Nta-3 = Am(Nta)
|
|
#-llnl_gamma 5.5
|
|
log_k 13.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Am+3 + 2.000Nta-3 = Am(Nta)2-3
|
|
#-llnl_gamma 5.5
|
|
log_k 22.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.2E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000Am+3 + 1.000H2O = Am(OH)+2
|
|
#-llnl_gamma 5.7
|
|
log_k -7.200 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE
|
|
delta_h 78.411 #kJ/mol
|
|
# Enthalpy of formation: -824.119 #kJ/mol
|
|
-analytic 6.537E+0 0E+0 -4.09569E+3 0E+0 0E+0
|
|
|
|
- 2.000H+ + 1.000Am+3 + 2.000H2O = Am(OH)2+
|
|
#-llnl_gamma 4.1
|
|
log_k -15.100 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE
|
|
delta_h 143.704 #kJ/mol
|
|
# Enthalpy of formation: -1044.656 #kJ/mol
|
|
-analytic 1.00758E+1 0E+0 -7.50617E+3 0E+0 0E+0
|
|
|
|
- 3.000H+ + 1.000Am+3 + 3.000H2O = Am(OH)3
|
|
#-llnl_gamma 3.4
|
|
log_k -26.200 #03GUI/FAN, 88STA/KIM1, 94RUN/KIM, 83EDE/BUC, 83CAC/CHO, 92WIM/KLE
|
|
delta_h 230.125 #kJ/mol
|
|
# Enthalpy of formation: -1244.065 #kJ/mol
|
|
-analytic 1.41161E+1 0E+0 -1.20202E+4 0E+0 0E+0
|
|
|
|
- 3.000H+ + 1.000Am+3 + 1.000HGlu- + 3.000H2O = Am(OH)3(HGlu)-
|
|
#-llnl_gamma 5.5
|
|
log_k -19.700 #05TIT/WIE
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.97E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 3.000H+ + 1.000Am+3 + 1.000HIsa- + 3.000H2O = Am(OH)3(HIsa)-
|
|
#-llnl_gamma 5.5
|
|
log_k -21.500 #05TIT/WIE
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.15E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 4.000H+ + 1.000Am+3 + 4.000H2O = Am(OH)4-
|
|
#-llnl_gamma 3.6
|
|
log_k -40.700 #07NEC/ALT2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.07E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Am+3 + 1.000Ox-2 = Am(Ox)+
|
|
#-llnl_gamma 5.5
|
|
log_k 6.510 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.51E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Am+3 + 2.000Ox-2 = Am(Ox)2-
|
|
#-llnl_gamma 5.5
|
|
log_k 10.710 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.071E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Am+3 + 3.000Ox-2 = Am(Ox)3-3
|
|
#-llnl_gamma 5.5
|
|
log_k 13.000 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 4.000H+ + 1.000Am+3 + 2.000H2(PO4)- = Am(PO4)2-3
|
|
#-llnl_gamma 6.7
|
|
log_k -19.430 #ANDRA report (C RP 0ENQ 02-001, Estimations from lanthanides)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.943E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Am+3 + 1.000Phthalat-2 = Am(Phthalat)+
|
|
#-llnl_gamma 5.5
|
|
log_k 4.930 #In analogy with Cm
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.93E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Am+3 + 1.000SO4-2 = Am(SO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 3.450 #12GRI/GAR1
|
|
delta_h 15.493 #kJ/mol
|
|
# Enthalpy of formation: -1510.547 #kJ/mol #Estimated by analogy to Ln (III)
|
|
-analytic 6.16425E+0 0E+0 -8.09255E+2 0E+0 0E+0
|
|
|
|
1.000Am+3 + 2.000SO4-2 = Am(SO4)2-
|
|
#-llnl_gamma 3.6
|
|
log_k 4.570 #12GRI/GAR1
|
|
delta_h 20.927 #kJ/mol
|
|
# Enthalpy of formation: -2414.453 #kJ/mol #Estimated by analogy to Ln (III)
|
|
-analytic 8.23625E+0 0E+0 -1.09309E+3 0E+0 0E+0
|
|
|
|
1.000Am+3 + 1.000Cl- = AmCl+2
|
|
#-llnl_gamma 5.7
|
|
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+
|
|
#-llnl_gamma 4.1
|
|
log_k -0.740 #97KÖN/FAN
|
|
delta_h 40.568 #kJ/mol
|
|
# Enthalpy of formation: -910.291 #kJ/mol
|
|
-analytic 6.3672E+0 0E+0 -2.11901E+3 0E+0 0E+0
|
|
|
|
1.000Am+3 + 1.000F- = AmF+2
|
|
#-llnl_gamma 5.7
|
|
log_k 3.400 #03GUI/FAN
|
|
delta_h 27.134 #kJ/mol
|
|
# Enthalpy of formation: -924.916 #kJ/mol
|
|
-analytic 8.15367E+0 0E+0 -1.41731E+3 0E+0 0E+0
|
|
|
|
1.000Am+3 + 2.000F- = AmF2+
|
|
#-llnl_gamma 4.1
|
|
log_k 5.800 #95SIL/BID
|
|
delta_h 22.320 #kJ/mol
|
|
# Enthalpy of formation: -1265.08 #kJ/mol
|
|
-analytic 9.71029E+0 0E+0 -1.16585E+3 0E+0 0E+0
|
|
|
|
1.000Am+3 + 3.000F- = AmF3
|
|
#-llnl_gamma 3.4
|
|
log_k 10.820 #69AZI/LYL
|
|
delta_h -12.119 #kJ/mol
|
|
# Enthalpy of formation: -1634.868 #kJ/mol
|
|
-analytic 8.69685E+0 0E+0 6.33019E+2 0E+0 0E+0
|
|
|
|
1.000AmO2+ + 1.000CO3-2 = AmO2(CO3)-
|
|
#-llnl_gamma 3.6
|
|
log_k 5.100 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.1E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000AmO2+ + 2.000CO3-2 = AmO2(CO3)2-3
|
|
#-llnl_gamma 6.7
|
|
log_k 6.700 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.7E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000AmO2+ + 3.000CO3-2 = AmO2(CO3)3-5
|
|
#-llnl_gamma 13.4
|
|
log_k 5.100 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.1E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 2.000H+ + 1.000AmO2+ + 2.000H2O = AmO2(OH)2-
|
|
#-llnl_gamma 3.6
|
|
log_k -23.600 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.36E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000AmO2+ + 1.000H2O = AmO2OH
|
|
#-llnl_gamma 3.4
|
|
log_k -11.300 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.13E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000Am+3 + 1.000H4(SiO4) = AmOSi(OH)3+2
|
|
#-llnl_gamma 5.7
|
|
log_k -2.310 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.31E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 2.000H+ + 1.000Am+3 + 1.000H2(PO4)- = AmPO4
|
|
#-llnl_gamma 3.4
|
|
log_k -7.760 #ANDRA report (C RP 0ENQ 02-001, Estimations from lanthanides)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -7.76E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 3.000H+ + 1.000H3(AsO3) = AsO3-3
|
|
#-llnl_gamma 6.7
|
|
log_k -38.590 #79IVA/VOR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.859E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000B(OH)4- - 1.000H2O = B(OH)3
|
|
#-llnl_gamma 3.4
|
|
log_k 9.240
|
|
delta_h -13.514 #kJ/mol
|
|
# Enthalpy of formation: -1072.8 #kJ/mol #01LEM/FUG
|
|
-analytic 6.87245E+0 0E+0 7.05884E+2 0E+0 0E+0
|
|
|
|
2.000H+ + 3.000B(OH)4- - 7.000H2O = B3O5-
|
|
#-llnl_gamma 3.6
|
|
log_k 20.900 #97CRO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.09E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000H+ + 4.000B(OH)4- - 9.000H2O = B4O7-2
|
|
#-llnl_gamma 4.7
|
|
log_k 21.900 #97CRO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.19E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000F- + 1.000B(OH)4- - 1.000H2O = BF(OH)3-
|
|
#-llnl_gamma 3.6
|
|
log_k 8.940 #77NOR/JEN
|
|
delta_h -39.078 #kJ/mol #77NOR/JEN
|
|
# Enthalpy of formation: -1433.714 #kJ/mol
|
|
-analytic 2.09384E+0 0E+0 2.04118E+3 0E+0 0E+0
|
|
|
|
2.000H+ + 2.000F- + 1.000B(OH)4- - 2.000H2O = BF2(OH)2-
|
|
#-llnl_gamma 3.6
|
|
log_k 16.970 #77NOR/JEN
|
|
delta_h -38.702 #kJ/mol #77NOR/JEN
|
|
# Enthalpy of formation: -1482.858 #kJ/mol
|
|
-analytic 1.01897E+1 0E+0 2.02154E+3 0E+0 0E+0
|
|
|
|
3.000H+ + 3.000F- + 1.000B(OH)4- - 3.000H2O = BF3(OH)-
|
|
#-llnl_gamma 3.6
|
|
log_k 23.010 #77NOR/JEN
|
|
delta_h -38.326 #kJ/mol #77NOR/JEN
|
|
# Enthalpy of formation: -1532.002 #kJ/mol
|
|
-analytic 1.62956E+1 0E+0 2.0019E+3 0E+0 0E+0
|
|
|
|
4.000H+ + 4.000F- + 1.000B(OH)4- - 4.000H2O = BF4-
|
|
#-llnl_gamma 3.6
|
|
log_k 29.620 #77NOR/JEN
|
|
delta_h 73.680 #kJ/mol #77NOR/JEN
|
|
# Enthalpy of formation: -1469.516 #kJ/mol
|
|
-analytic 4.25282E+1 0E+0 -3.84857E+3 0E+0 0E+0
|
|
|
|
1.000Ba+2 + 1.000CO3-2 = Ba(CO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.710 #86BUS/PLU
|
|
delta_h 14.841 #kJ/mol #86BUS/PLU
|
|
# Enthalpy of formation: -1195.189 #kJ/mol
|
|
-analytic 5.31003E+0 0E+0 -7.75198E+2 0E+0 0E+0
|
|
|
|
1.000Ba+2 + 1.000H+ + 1.000CO3-2 = Ba(HCO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 11.310 #86BUS/PLU
|
|
delta_h 8.560 #kJ/mol #86BUS/PLU
|
|
# Enthalpy of formation: -1201.47 #kJ/mol
|
|
-analytic 1.28096E+1 0E+0 -4.47119E+2 0E+0 0E+0
|
|
|
|
1.000Ba+2 + 1.000NO3- = Ba(NO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k -0.310
|
|
delta_h 6.819 #kJ/mol
|
|
# Enthalpy of formation: -734.831 #kJ/mol
|
|
-analytic 8.84636E-1 0E+0 -3.56181E+2 0E+0 0E+0
|
|
|
|
1.000Ba+2 - 1.000H+ + 1.000H2O = Ba(OH)+
|
|
#-llnl_gamma 4.1
|
|
log_k -13.470 #76BAE/MES
|
|
delta_h 87.397 #kJ/mol
|
|
# Enthalpy of formation: -733.233 #kJ/mol
|
|
-analytic 1.84127E+0 0E+0 -4.56506E+3 0E+0 0E+0
|
|
|
|
1.000Ba+2 + 1.000SO4-2 = Ba(SO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.700 #76SMI/MAR
|
|
delta_h 7.367 #kJ/mol
|
|
# Enthalpy of formation: -1436.772 #kJ/mol
|
|
-analytic 3.99064E+0 0E+0 -3.84805E+2 0E+0 0E+0
|
|
|
|
1.000Ba+2 + 1.000B(OH)4- = BaB(OH)4+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.490 #80BAS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.49E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ba+2 + 1.000Cl- = BaCl+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.060
|
|
delta_h 11.481 #kJ/mol
|
|
# Enthalpy of formation: -690.399 #kJ/mol #97SVE/SHO
|
|
-analytic 2.07138E+0 0E+0 -5.99694E+2 0E+0 0E+0
|
|
|
|
1.000Ba+2 + 1.000F- = BaF+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.400
|
|
delta_h 6.698 #kJ/mol
|
|
# Enthalpy of formation: -863.452 #kJ/mol #97SVE/SHO
|
|
-analytic 1.57344E+0 0E+0 -3.4986E+2 0E+0 0E+0
|
|
|
|
4.000H+ + 2.000e- + 1.000CO3-2 - 2.000H2O = CO
|
|
#-llnl_gamma 3.4
|
|
log_k 11.600
|
|
delta_h -17.390 #kJ/mol
|
|
# Enthalpy of formation: -120.96 #kJ/mol #82WAG/EVA
|
|
-analytic 8.55341E+0 0E+0 9.08342E+2 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000CO3-2 - 1.000H2O = CO2
|
|
#-llnl_gamma 3.4
|
|
log_k 16.680
|
|
delta_h -23.860 #kJ/mol
|
|
# Enthalpy of formation: -413.26 #kJ/mol #89COX/WAG
|
|
-analytic 1.24999E+1 0E+0 1.24629E+3 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000Acetate- = Ca(Acetate)+
|
|
#-llnl_gamma 5.5
|
|
log_k 1.120 #95DER/DIG
|
|
delta_h 0.143 #kJ/mol
|
|
# Enthalpy of formation: -1028.867 #kJ/mol
|
|
-analytic 1.14505E+0 0E+0 -7.4694E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000Adipate-2 = Ca(Adipate)
|
|
#-llnl_gamma 5.5
|
|
log_k 2.190 #04MAR/SMI from 40TOP/DAV
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.19E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 - 3.000H+ + 1.000Am+3 + 3.000H2O = Ca(Am(OH)3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k -26.300 #07RAB/ALT
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000AsO4-3 = Ca(AsO4)-
|
|
#-llnl_gamma 3.6
|
|
log_k 5.770 #10MAR/ACC
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.77E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000Cit-3 = Ca(Cit)-
|
|
#-llnl_gamma 5.5
|
|
log_k 4.800 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -2062.92 #kJ/mol
|
|
-analytic 4.8E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 - 3.000H+ + 1.000Cm+3 + 3.000H2O = Ca(Cm(OH)3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k -26.300 #07RAB/ALT
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000Edta-4 = Ca(Edta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 12.690 #05HUM/AND
|
|
delta_h -22.200 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -2270 #kJ/mol
|
|
-analytic 8.80073E+0 0E+0 1.15959E+3 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000Eu+3 - 3.000H+ + 3.000H2O = Ca(Eu(OH)3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k -26.300 #07RAB/ALT
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 2.000H+ + 1.000AsO4-3 = Ca(H2AsO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 19.870 #10MAR/ACC
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.987E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 2.000H+ + 1.000Cit-3 = Ca(H2Cit)+
|
|
#-llnl_gamma 5.5
|
|
log_k 12.670 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.267E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000H2(PO4)- = Ca(H2PO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.410 #68CHU/MAR
|
|
delta_h 14.226 #kJ/mol #68CHU/MAR
|
|
# Enthalpy of formation: -1831.374 #kJ/mol
|
|
-analytic 3.90228E+0 0E+0 -7.43075E+2 0E+0 0E+0
|
|
|
|
1.000Ca+2 - 1.000H+ + 1.000H4(SiO4) = Ca(H3SiO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k -8.830 #97SVE/SHO
|
|
delta_h 31.633 #kJ/mol
|
|
# Enthalpy of formation: -1972.561 #kJ/mol
|
|
-analytic -3.28814E+0 0E+0 -1.6523E+3 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000H+ + 1.000AsO4-3 = Ca(HAsO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 13.900 #10MAR/ACC
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000H+ + 1.000CO3-2 = Ca(HCO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 11.430 #96BOU1
|
|
delta_h -23.595 #kJ/mol
|
|
# Enthalpy of formation: -1241.826 #kJ/mol
|
|
-analytic 7.29634E+0 0E+0 1.23245E+3 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000H+ + 1.000Cit-3 = Ca(HCit)
|
|
#-llnl_gamma 5.5
|
|
log_k 9.280 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.28E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000H+ + 1.000Edta-4 = Ca(HEdta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 16.230 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.623E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000HGlu- = Ca(HGlu)+
|
|
#-llnl_gamma 5.5
|
|
log_k 1.730 #52SCH/LIN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.73E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000HIsa- = Ca(HIsa)+
|
|
#-llnl_gamma 5.5
|
|
log_k 1.700 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.7E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000H+ + 1.000Malonate-2 = Ca(HMalonate)+
|
|
#-llnl_gamma 5.5
|
|
log_k 6.640 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.64E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000H+ + 1.000Nta-3 = Ca(HNta)
|
|
#-llnl_gamma 5.5
|
|
log_k 13.400 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 2.000H+ + 2.000Nta-3 = Ca(HNta)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k 23.630 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.363E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 - 1.000H+ + 1.000H2(PO4)- = Ca(HPO4)
|
|
#-llnl_gamma 3.4
|
|
log_k -4.470 #68CHU/MAR
|
|
delta_h 17.407 #kJ/mol #68CHU/MAR
|
|
# Enthalpy of formation: -1828.193 #kJ/mol
|
|
-analytic -1.42043E+0 0E+0 -9.0923E+2 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000H+ + 1.000Phthalat-2 = Ca(HPhthalat)+
|
|
#-llnl_gamma 5.5
|
|
log_k 6.420 #85DAN/DER
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.42E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000H+ + 1.000Pyrophos-4 = Ca(HPyrophos)-
|
|
#-llnl_gamma 3.6
|
|
log_k 13.800 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000H+ + 1.000Succinat-2 = Ca(HSuccinat)+
|
|
#-llnl_gamma 5.5
|
|
log_k 6.790 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 - 3.000H+ + 1.000Ho+3 + 3.000H2O = Ca(Ho(OH)3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k -26.300 #07RAB/ALT
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000IO3- = Ca(IO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.400 #estimation NEA87 08/2/95
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 - 1.000H+ + 1.000HIsa- = Ca(Isa)
|
|
#-llnl_gamma 5.5
|
|
log_k -10.400 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000Malonate-2 = Ca(Malonate)
|
|
#-llnl_gamma 5.5
|
|
log_k 2.430 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.43E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000NH3 = Ca(NH3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k -0.100 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 2.000NH3 = Ca(NH3)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k -0.700 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -7E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 3.000NH3 = Ca(NH3)3+2
|
|
#-llnl_gamma 5.7
|
|
log_k -1.500 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 4.000NH3 = Ca(NH3)4+2
|
|
#-llnl_gamma 5.7
|
|
log_k -2.600 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.6E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000NO3- = Ca(NO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.600 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 2.000NO3- = Ca(NO3)2
|
|
#-llnl_gamma 3.4
|
|
log_k 0.500 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000Nta-3 = Ca(Nta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 7.730 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7.73E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 - 1.000H+ + 1.000HGlu- + 1.000H2O = Ca(OH)(HGlu)
|
|
#-llnl_gamma 5.5
|
|
log_k -10.400 #02TIT/WIE
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 - 1.000H+ + 1.000H2O = Ca(OH)+
|
|
#-llnl_gamma 4.1
|
|
log_k -12.780 #87GAR/PAR
|
|
delta_h 77.207 #kJ/mol
|
|
# Enthalpy of formation: -751.623 #kJ/mol
|
|
-analytic 7.46066E-1 0E+0 -4.0328E+3 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000Ox-2 = Ca(Ox)
|
|
#-llnl_gamma 5.5
|
|
log_k 3.190 #05HUM/AND
|
|
delta_h 6.811 #kJ/mol
|
|
# Enthalpy of formation: -1366.849 #kJ/mol
|
|
-analytic 4.38323E+0 0E+0 -3.55763E+2 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 2.000Ox-2 = Ca(Ox)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k 4.020 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.02E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 - 2.000H+ + 1.000H2(PO4)- = Ca(PO4)-
|
|
#-llnl_gamma 3.6
|
|
log_k -13.100 #68CHU/MAR
|
|
delta_h 31.170 #kJ/mol #68CHU/MAR
|
|
# Enthalpy of formation: -1814.43 #kJ/mol
|
|
-analytic -7.63926E+0 0E+0 -1.62812E+3 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000Phthalat-2 = Ca(Phthalat)
|
|
#-llnl_gamma 5.5
|
|
log_k 2.490 #85DAN/DER
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.49E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000Pyrophos-4 = Ca(Pyrophos)-2
|
|
#-llnl_gamma 4.7
|
|
log_k 7.500 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000S2O3-2 = Ca(S2O3)
|
|
#-llnl_gamma 3.4
|
|
log_k 1.350
|
|
delta_h 3.786 #kJ/mol
|
|
# Enthalpy of formation: -1191.5 #kJ/mol #03-91 MINTEQL-PSI
|
|
-analytic 2.01328E+0 0E+0 -1.97756E+2 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000SO4-2 = Ca(SO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.310 #53BEL/GEO
|
|
delta_h 4.292 #kJ/mol
|
|
# Enthalpy of formation: -1448.047 #kJ/mol
|
|
-analytic 3.06193E+0 0E+0 -2.24186E+2 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000SeO4-2 = Ca(SeO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.000 #05OLI/NOL
|
|
delta_h 1.475 #kJ/mol
|
|
# Enthalpy of formation: -1145.025 #kJ/mol
|
|
-analytic 2.25841E+0 0E+0 -7.70445E+1 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000Sm+3 - 3.000H+ + 3.000H2O = Ca(Sm(OH)3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k -26.300 #07RAB/ALT
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.63E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000Succinat-2 = Ca(Succinat)
|
|
#-llnl_gamma 5.5
|
|
log_k 2.340 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.34E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000Ca+2 - 4.000H+ + 1.000Am+3 + 4.000H2O = Ca2(Am(OH)4)+3
|
|
#-llnl_gamma 8.2
|
|
log_k -37.200 #07RAB/ALT
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000Ca+2 - 4.000H+ + 1.000Cm+3 + 4.000H2O = Ca2(Cm(OH)4)+3
|
|
#-llnl_gamma 8.2
|
|
log_k -37.200 #07RAB/ALT
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000Ca+2 + 1.000Eu+3 - 4.000H+ + 4.000H2O = Ca2(Eu(OH)4)+3
|
|
#-llnl_gamma 8.2
|
|
log_k -37.200 #07RAB/ALT
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000Ca+2 - 4.000H+ + 1.000Ho+3 + 4.000H2O = Ca2(Ho(OH)4)+3
|
|
#-llnl_gamma 8.2
|
|
log_k -37.200 #07RAB/ALT
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000Ca+2 + 1.000Sm+3 - 4.000H+ + 4.000H2O = Ca2(Sm(OH)4)+3
|
|
#-llnl_gamma 8.2
|
|
log_k -37.200 #07RAB/ALT
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.72E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000Ca+2 + 1.000UO2+2 + 3.000CO3-2 = Ca2UO2(CO3)3
|
|
#-llnl_gamma 3.4
|
|
log_k 30.700 #06DON/BRO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.07E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000Ca+2 - 6.000H+ + 1.000Am+3 + 6.000H2O = Ca3(Am(OH)6)+3
|
|
#-llnl_gamma 8.2
|
|
log_k -60.700 #07RAB/ALT
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000Ca+2 - 6.000H+ + 1.000Cm+3 + 6.000H2O = Ca3(Cm(OH)6)+3
|
|
#-llnl_gamma 8.2
|
|
log_k -60.700 #07RAB/ALT
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000Ca+2 + 1.000Eu+3 - 6.000H+ + 6.000H2O = Ca3(Eu(OH)6)+3
|
|
#-llnl_gamma 8.2
|
|
log_k -60.700 #07RAB/ALT
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000Ca+2 - 6.000H+ + 1.000Ho+3 + 6.000H2O = Ca3(Ho(OH)6)+3
|
|
#-llnl_gamma 8.2
|
|
log_k -60.700 #07RAB/ALT
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000Ca+2 + 1.000Sm+3 - 6.000H+ + 6.000H2O = Ca3(Sm(OH)6)+3
|
|
#-llnl_gamma 8.2
|
|
log_k -60.700 #07RAB/ALT
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.07E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
4.000Ca+2 + 1.000Th+4 - 8.000H+ + 8.000H2O = Ca4Th(OH)8+4
|
|
#-llnl_gamma 11.6
|
|
log_k -63.100 #08ALT/NEC
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.31E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000B(OH)4- = CaB(OH)4+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.800 #97CRO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000CO3-2 = CaCO3
|
|
#-llnl_gamma 3.4
|
|
log_k 3.220 #96BOU1
|
|
delta_h 14.830 #kJ/mol
|
|
# Enthalpy of formation: -1203.4 #kJ/mol #96BOU1
|
|
-analytic 5.8181E+0 0E+0 -7.74624E+2 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000Cl- = CaCl+
|
|
#-llnl_gamma 4.1
|
|
log_k -0.290 #97SVE/SHO
|
|
delta_h 7.150 #kJ/mol
|
|
# Enthalpy of formation: -702.93 #kJ/mol
|
|
-analytic 9.62624E-1 0E+0 -3.7347E+2 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 2.000Cl- = CaCl2
|
|
#-llnl_gamma 3.4
|
|
log_k -0.640 #97SVE/SHO
|
|
delta_h -5.857 #kJ/mol
|
|
# Enthalpy of formation: -883.016 #kJ/mol
|
|
-analytic -1.6661E+0 0E+0 3.05932E+2 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000CrO4-2 = CaCrO4
|
|
#-llnl_gamma 3.4
|
|
log_k 2.770 #00PER/PAL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.77E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000F- = CaF+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.940 #96BOU
|
|
delta_h 17.238 #kJ/mol #96BOU
|
|
# Enthalpy of formation: -861.112 #kJ/mol
|
|
-analytic 3.95996E+0 0E+0 -9.00402E+2 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000I- = CaI+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.140 #92JOH/OEL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.4E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 2.000I- = CaI2
|
|
#-llnl_gamma 3.4
|
|
log_k -0.020 #92JOH/OEL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2E-2 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000Th+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = CaTh(OH)4(HGlu)+
|
|
#-llnl_gamma 5.5
|
|
log_k -9.000 #13COL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -9E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000Th+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = CaTh(OH)4(HIsa)+
|
|
#-llnl_gamma 5.5
|
|
log_k -9.000 #13COL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -9E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ca+2 + 1.000UO2+2 + 3.000CO3-2 = CaUO2(CO3)3-2
|
|
#-llnl_gamma 4.7
|
|
log_k 27.180 #06DON/BRO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.718E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 1.000CO3-2 = Cd(CO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 4.700 #91RAI/FEL1
|
|
delta_h 4.299 #kJ/mol
|
|
# Enthalpy of formation: -746.851 #kJ/mol
|
|
-analytic 5.45315E+0 0E+0 -2.24552E+2 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 2.000CO3-2 = Cd(CO3)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 6.500 #91RAI/FEL1
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 1.000Cn- = Cd(Cn)+
|
|
#-llnl_gamma 4.1
|
|
log_k 4.350
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.35E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 2.000Cn- = Cd(Cn)2
|
|
#-llnl_gamma 3.4
|
|
log_k 8.430
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.43E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 3.000Cn- = Cd(Cn)3-
|
|
#-llnl_gamma 3.6
|
|
log_k 11.950
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.195E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 4.000Cn- = Cd(Cn)4-2
|
|
#-llnl_gamma 4.7
|
|
log_k 14.440
|
|
delta_h -85.384 #kJ/mol
|
|
# Enthalpy of formation: 428.096 #kJ/mol
|
|
-analytic -5.18613E-1 0E+0 4.45991E+3 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 1.000H2(PO4)- = Cd(H2PO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.800 #01AYA/MAD
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 1.000H+ + 1.000CO3-2 = Cd(HCO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 11.830 #93STI/PAR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.183E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 2.000HS- = Cd(HS)2
|
|
#-llnl_gamma 3.4
|
|
log_k 14.430 #99WAN/TES
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.443E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 1.000NH3 = Cd(NH3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.520
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.52E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 2.000NH3 = Cd(NH3)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 4.870
|
|
delta_h -27.965 #kJ/mol
|
|
# Enthalpy of formation: -266.225 #kJ/mol
|
|
-analytic -2.92505E-2 0E+0 1.46071E+3 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 3.000NH3 = Cd(NH3)3+2
|
|
#-llnl_gamma 5.7
|
|
log_k 5.930 #ANDRA report (C RP 0ENQ 02-001, Interpolated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 4.000NH3 = Cd(NH3)4+2
|
|
#-llnl_gamma 5.7
|
|
log_k 7.300
|
|
delta_h -49.714 #kJ/mol
|
|
# Enthalpy of formation: -450.314 #kJ/mol
|
|
-analytic -1.40951E+0 0E+0 2.59674E+3 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 1.000NO3- = Cd(NO3)+
|
|
#-llnl_gamma 4.1
|
|
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
|
|
|
|
1.000Cd+2 + 2.000NO3- = Cd(NO3)2
|
|
#-llnl_gamma 3.4
|
|
log_k 0.170 #97CRO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.7E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 - 1.000H+ + 1.000H2O = Cd(OH)+
|
|
#-llnl_gamma 4.1
|
|
log_k -10.080 #81BAE/MES
|
|
delta_h 54.810 #kJ/mol #81BAE/MES
|
|
# Enthalpy of formation: -306.94 #kJ/mol
|
|
-analytic -4.77714E-1 0E+0 -2.86292E+3 0E+0 0E+0
|
|
|
|
1.000Cd+2 - 2.000H+ + 2.000H2O = Cd(OH)2
|
|
#-llnl_gamma 3.4
|
|
log_k -20.900 #91RAI/FEL1
|
|
delta_h 114.900 #kJ/mol
|
|
# Enthalpy of formation: -532.68 #kJ/mol
|
|
-analytic -7.70414E-1 0E+0 -6.00164E+3 0E+0 0E+0
|
|
|
|
1.000Cd+2 - 3.000H+ + 3.000H2O = Cd(OH)3-
|
|
#-llnl_gamma 3.6
|
|
log_k -33.300 #81BAE/MES
|
|
delta_h 156.416 #kJ/mol
|
|
# Enthalpy of formation: -776.994 #kJ/mol
|
|
-analytic -5.89713E+0 0E+0 -8.17016E+3 0E+0 0E+0
|
|
|
|
1.000Cd+2 - 4.000H+ + 4.000H2O = Cd(OH)4-2
|
|
#-llnl_gamma 4.7
|
|
log_k -47.480 #91RAI/FEL1
|
|
delta_h 229.570 #kJ/mol
|
|
# Enthalpy of formation: -989.669 #kJ/mol
|
|
-analytic -7.26112E+0 0E+0 -1.19913E+4 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 1.000Pyrophos-4 = Cd(Pyrophos)-2
|
|
#-llnl_gamma 4.7
|
|
log_k 8.700 #92CLE/DER
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.7E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 1.000S2O3-2 = Cd(S2O3)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.460
|
|
delta_h 5.405 #kJ/mol
|
|
# Enthalpy of formation: -722.801 #kJ/mol #74NAU/RYZ
|
|
-analytic 3.40691E+0 0E+0 -2.82322E+2 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 1.000SO4-2 = Cd(SO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.370 #97MAR/SMI
|
|
delta_h 8.700 #kJ/mol #97MAR/SMI
|
|
# Enthalpy of formation: -976.56 #kJ/mol
|
|
-analytic 3.89417E+0 0E+0 -4.54432E+2 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 2.000SO4-2 = Cd(SO4)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 3.440 #76SMI/MAR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.44E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 - 1.000H+ - 2.000e- + 1.000Cn- + 1.000HSe- = Cd(SeCn)+
|
|
#-llnl_gamma 4.1
|
|
log_k 15.270
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.527E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 - 2.000H+ - 4.000e- + 2.000Cn- + 2.000HSe- = Cd(SeCn)2
|
|
#-llnl_gamma 3.4
|
|
log_k 29.390
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.939E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 - 3.000H+ - 6.000e- + 3.000Cn- + 3.000HSe- = Cd(SeCn)3-
|
|
#-llnl_gamma 3.6
|
|
log_k 42.890
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.289E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 - 4.000H+ - 8.000e- + 4.000Cn- + 4.000HSe- = Cd(SeCn)4-2
|
|
#-llnl_gamma 4.7
|
|
log_k 56.710
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.671E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 1.000SeO4-2 = Cd(SeO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.270 #05OLI/NOL
|
|
delta_h 8.300 #kJ/mol #05OLI/NOL
|
|
# Enthalpy of formation: -671.12 #kJ/mol
|
|
-analytic 3.7241E+0 0E+0 -4.33539E+2 0E+0 0E+0
|
|
|
|
4.000Cd+2 - 4.000H+ + 4.000H2O = Cd4(OH)4+4
|
|
#-llnl_gamma 11.6
|
|
log_k -32.070
|
|
delta_h 172.135 #kJ/mol
|
|
# Enthalpy of formation: -1274.865 #kJ/mol #99YUN/GLU
|
|
-analytic -1.91329E+0 0E+0 -8.99122E+3 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 1.000Br- = CdBr+
|
|
#-llnl_gamma 4.1
|
|
log_k 2.160
|
|
delta_h -7.959 #kJ/mol
|
|
# Enthalpy of formation: -205.289 #kJ/mol
|
|
-analytic 7.65645E-1 0E+0 4.15727E+2 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 2.000Br- = CdBr2
|
|
#-llnl_gamma 3.4
|
|
log_k 2.920
|
|
delta_h -15.743 #kJ/mol
|
|
# Enthalpy of formation: -334.482 #kJ/mol
|
|
-analytic 1.61949E-1 0E+0 8.22313E+2 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 3.000Br- = CdBr3-
|
|
#-llnl_gamma 3.6
|
|
log_k 3.190
|
|
delta_h -28.846 #kJ/mol
|
|
# Enthalpy of formation: -468.995 #kJ/mol
|
|
-analytic -1.86359E+0 0E+0 1.50673E+3 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 1.000Cl- = CdCl+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.970 #76BAE/MES
|
|
delta_h -5.520 #kJ/mol
|
|
# Enthalpy of formation: -248.52 #kJ/mol
|
|
-analytic 1.00294E+0 0E+0 2.88329E+2 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 2.000Cl- = CdCl2
|
|
#-llnl_gamma 3.4
|
|
log_k 2.590 #76BAE/MES
|
|
delta_h -14.068 #kJ/mol
|
|
# Enthalpy of formation: -424.148 #kJ/mol
|
|
-analytic 1.25396E-1 0E+0 7.34822E+2 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 3.000Cl- = CdCl3-
|
|
#-llnl_gamma 3.6
|
|
log_k 2.400 #76BAE/MES
|
|
delta_h -25.804 #kJ/mol
|
|
# Enthalpy of formation: -602.963 #kJ/mol
|
|
-analytic -2.12066E+0 0E+0 1.34783E+3 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 4.000Cl- = CdCl4-2
|
|
#-llnl_gamma 4.7
|
|
log_k 1.470 #76BAE/MES
|
|
delta_h -44.765 #kJ/mol
|
|
# Enthalpy of formation: -789.004 #kJ/mol
|
|
-analytic -6.37248E+0 0E+0 2.33824E+3 0E+0 0E+0
|
|
|
|
1.000Cd+2 - 1.000H+ + 1.000H2(PO4)- = CdHPO4
|
|
#-llnl_gamma 3.4
|
|
log_k -2.380 #01AYA/MAD
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.38E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 1.000HS- = CdHS+
|
|
#-llnl_gamma 4.1
|
|
log_k 7.380 #99WAN/TES
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7.38E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 1.000I- = CdI+
|
|
#-llnl_gamma 4.1
|
|
log_k 2.090
|
|
delta_h -8.739 #kJ/mol
|
|
# Enthalpy of formation: -141.439 #kJ/mol
|
|
-analytic 5.58995E-1 0E+0 4.56469E+2 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 2.000I- = CdI2
|
|
#-llnl_gamma 3.4
|
|
log_k 3.530
|
|
delta_h -18.988 #kJ/mol
|
|
# Enthalpy of formation: -208.468 #kJ/mol
|
|
-analytic 2.0345E-1 0E+0 9.91811E+2 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 3.000I- = CdI3-
|
|
#-llnl_gamma 3.6
|
|
log_k 4.640
|
|
delta_h -38.648 #kJ/mol
|
|
# Enthalpy of formation: -284.907 #kJ/mol
|
|
-analytic -2.13083E+0 0E+0 2.01872E+3 0E+0 0E+0
|
|
|
|
1.000Cd+2 + 4.000I- = CdI4-2
|
|
#-llnl_gamma 4.7
|
|
log_k 5.480
|
|
delta_h -75.610 #kJ/mol
|
|
# Enthalpy of formation: -378.649 #kJ/mol
|
|
-analytic -7.76628E+0 0E+0 3.94938E+3 0E+0 0E+0
|
|
|
|
- 2.000e- + 2.000Cl- = Cl2
|
|
#-llnl_gamma 3.4
|
|
log_k -47.210
|
|
delta_h 310.760 #kJ/mol
|
|
# Enthalpy of formation: -23.4 #kJ/mol #82WAG/EVA
|
|
-analytic 7.23274E+0 0E+0 -1.62321E+4 0E+0 0E+0
|
|
|
|
- 8.000H+ - 8.000e- + 1.000Cl- + 4.000H2O = ClO4-
|
|
#-llnl_gamma 3.6
|
|
log_k -187.790
|
|
delta_h 1182.300 #kJ/mol
|
|
# Enthalpy of formation: -128.1 #kJ/mol #89COX/WAG
|
|
-analytic 1.93398E+1 0E+0 -6.17557E+4 0E+0 0E+0
|
|
|
|
1.000Cm+3 + 1.000Acetate- = Cm(Acetate)+2
|
|
#-llnl_gamma 5.5
|
|
log_k 3.010 #11RIC/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.01E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cm+3 + 2.000Acetate- = Cm(Acetate)2+
|
|
#-llnl_gamma 5.5
|
|
log_k 4.960 #12GRI/GAR2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.96E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cm+3 + 3.000Acetate- = Cm(Acetate)3
|
|
#-llnl_gamma 5.5
|
|
log_k 6.300 #69MOS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.3E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000CO3-2 + 1.000Cm+3 = Cm(CO3)2-
|
|
#-llnl_gamma 3.6
|
|
log_k 12.600 #06DUR/CER
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000CO3-2 + 1.000Cm+3 = Cm(CO3)3-3
|
|
#-llnl_gamma 6.7
|
|
log_k 14.600 #06DUR/CER
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H2(PO4)- + 1.000Cm+3 = Cm(H2PO4)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.400 #estimated by correlation with Ln(III)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000H2(PO4)- + 1.000Cm+3 = Cm(HPO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k -1.700 #estimated by correlation with Ln(III)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.7E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 2.000H+ + 2.000H2(PO4)- + 1.000Cm+3 = Cm(HPO4)2-
|
|
#-llnl_gamma 3.6
|
|
log_k -5.210 #estimated by correlation with Ln(III)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.21E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000Cm+3 + 1.000H2O = Cm(OH)+2
|
|
#-llnl_gamma 5.7
|
|
log_k -7.200 #03GUI/FAN
|
|
delta_h 79.365 #kJ/mol
|
|
# Enthalpy of formation: -821.465 #kJ/mol
|
|
-analytic 6.70413E+0 0E+0 -4.14552E+3 0E+0 0E+0
|
|
|
|
- 2.000H+ + 1.000Cm+3 + 2.000H2O = Cm(OH)2+
|
|
#-llnl_gamma 4.1
|
|
log_k -15.100 #03GUI/FAN
|
|
delta_h 144.956 #kJ/mol
|
|
# Enthalpy of formation: -1041.703 #kJ/mol
|
|
-analytic 1.02952E+1 0E+0 -7.57157E+3 0E+0 0E+0
|
|
|
|
- 3.000H+ + 1.000Cm+3 + 3.000H2O = Cm(OH)3
|
|
#-llnl_gamma 3.4
|
|
log_k -26.200 #03GUI/FAN
|
|
delta_h 231.675 #kJ/mol
|
|
# Enthalpy of formation: -1240.814 #kJ/mol
|
|
-analytic 1.43877E+1 0E+0 -1.21012E+4 0E+0 0E+0
|
|
|
|
- 4.000H+ + 1.000Cm+3 + 4.000H2O = Cm(OH)4-
|
|
#-llnl_gamma 3.6
|
|
log_k -40.700 #07NEC/ALT2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.07E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ox-2 + 1.000Cm+3 = Cm(Ox)+
|
|
#-llnl_gamma 5.5
|
|
log_k 6.480 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.48E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000Ox-2 + 1.000Cm+3 = Cm(Ox)2-
|
|
#-llnl_gamma 5.5
|
|
log_k 10.400 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.04E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000Ox-2 + 1.000Cm+3 = Cm(Ox)3-3
|
|
#-llnl_gamma 5.5
|
|
log_k 12.840 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.284E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 4.000H+ + 2.000H2(PO4)- + 1.000Cm+3 = Cm(PO4)2-3
|
|
#-llnl_gamma 6.7
|
|
log_k -19.230 #estimated by corrlation with Ln(III)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.923E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cm+3 + 1.000Phthalat-2 = Cm(Phthalat)+
|
|
#-llnl_gamma 5.5
|
|
log_k 4.930 #11GRI/COL3 from 95PAN/KLE
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.93E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000SO4-2 + 1.000Cm+3 = Cm(SO4)2-
|
|
#-llnl_gamma 3.6
|
|
log_k 4.570 #12SKE/PAN, same as Am, revised in the 2012 update.
|
|
delta_h 20.880 #kJ/mol
|
|
# Enthalpy of formation: -2412.8 #kJ/mol #estimated by analogy with Ln
|
|
-analytic 8.22801E+0 0E+0 -1.09064E+3 0E+0 0E+0
|
|
|
|
1.000CO3-2 + 1.000Cm+3 = CmCO3+
|
|
#-llnl_gamma 4.1
|
|
log_k 7.900 #06DUR/CER
|
|
delta_h 153.981 #kJ/mol
|
|
# Enthalpy of formation: -1136.249 #kJ/mol
|
|
-analytic 3.48763E+1 0E+0 -8.04298E+3 0E+0 0E+0
|
|
|
|
1.000Cl- + 1.000Cm+3 = CmCl+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.240 #03GUI/FAN, same as Am
|
|
delta_h 22.512 #kJ/mol
|
|
# Enthalpy of formation: -759.568 #kJ/mol
|
|
-analytic 4.18393E+0 0E+0 -1.17588E+3 0E+0 0E+0
|
|
|
|
2.000Cl- + 1.000Cm+3 = CmCl2+
|
|
#-llnl_gamma 4.1
|
|
log_k -0.740 #03GUI/FAN, same as Am
|
|
delta_h 41.165 #kJ/mol
|
|
# Enthalpy of formation: -907.995 #kJ/mol
|
|
-analytic 6.47179E+0 0E+0 -2.15019E+3 0E+0 0E+0
|
|
|
|
1.000F- + 1.000Cm+3 = CmF+2
|
|
#-llnl_gamma 5.7
|
|
log_k 3.400 #03GUI/FAN, same as Am
|
|
delta_h 25.613 #kJ/mol
|
|
# Enthalpy of formation: -924.737 #kJ/mol
|
|
-analytic 7.8872E+0 0E+0 -1.33786E+3 0E+0 0E+0
|
|
|
|
2.000F- + 1.000Cm+3 = CmF2+
|
|
#-llnl_gamma 4.1
|
|
log_k 5.800 #03GUI/FAN, same as Am
|
|
delta_h 20.620 #kJ/mol
|
|
# Enthalpy of formation: -1265.079 #kJ/mol
|
|
-analytic 9.41246E+0 0E+0 -1.07706E+3 0E+0 0E+0
|
|
|
|
3.000F- + 1.000Cm+3 = CmF3
|
|
#-llnl_gamma 3.4
|
|
log_k 11.180 #69AZI/LYL
|
|
delta_h -15.485 #kJ/mol
|
|
# Enthalpy of formation: -1636.535 #kJ/mol
|
|
-analytic 8.46715E+0 0E+0 8.08837E+2 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000CO3-2 + 1.000Cm+3 = CmHCO3+2
|
|
#-llnl_gamma 5.7
|
|
log_k 13.430 #03GUI/FAN, same as Am
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.343E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NO3- + 1.000Cm+3 = CmNO3+2
|
|
#-llnl_gamma 5.7
|
|
log_k 1.330 #95SIL/BID
|
|
delta_h 1.800 #kJ/mol #09SKE/PAN
|
|
# Enthalpy of formation: -820.05 #kJ/mol
|
|
-analytic 1.64535E+0 0E+0 -9.40204E+1 0E+0 0E+0
|
|
|
|
- 2.000H+ + 1.000H2(PO4)- + 1.000Cm+3 = CmPO4
|
|
#-llnl_gamma 3.4
|
|
log_k -7.660 #estimated by correlation with Ln(III)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -7.66E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000SO4-2 + 1.000Cm+3 = CmSO4+
|
|
#-llnl_gamma 4.1
|
|
log_k 3.450 #12SKE/PAN, same as Am, revised in the 2012 update.
|
|
delta_h 15.640 #kJ/mol
|
|
# Enthalpy of formation: -1508.7 #kJ/mol #estimated by analogy with Ln
|
|
-analytic 6.19001E+0 0E+0 -8.16933E+2 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000H4(SiO4) + 1.000Cm+3 = CmSiO(OH)3+2
|
|
#-llnl_gamma 5.7
|
|
log_k -2.310 #Original data 07THA/SIN, 05PAN/KIM and 97STE/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.31E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Co+2 + 2.000HS- = Co(HS)2
|
|
#-llnl_gamma 3.4
|
|
log_k 8.770 #66KHO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.77E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Co+2 - 1.000H+ + 1.000H2O = Co(OH)+
|
|
#-llnl_gamma 4.1
|
|
log_k -9.230 #98PLY/ZHA1
|
|
delta_h 45.962 #kJ/mol
|
|
# Enthalpy of formation: -297.468 #kJ/mol
|
|
-analytic -1.17782E+0 0E+0 -2.40076E+3 0E+0 0E+0
|
|
|
|
1.000Co+2 - 2.000H+ + 2.000H2O = Co(OH)2
|
|
#-llnl_gamma 3.4
|
|
log_k -18.600 #98PLY/ZHA1
|
|
delta_h 105.707 #kJ/mol
|
|
# Enthalpy of formation: -523.552 #kJ/mol
|
|
-analytic -8.09557E-2 0E+0 -5.52145E+3 0E+0 0E+0
|
|
|
|
1.000Co+2 - 3.000H+ + 3.000H2O = Co(OH)3-
|
|
#-llnl_gamma 3.6
|
|
log_k -31.700 #98PLY/ZHA1
|
|
delta_h 160.297 #kJ/mol
|
|
# Enthalpy of formation: -754.792 #kJ/mol
|
|
-analytic -3.61721E+0 0E+0 -8.37288E+3 0E+0 0E+0
|
|
|
|
1.000Co+2 - 4.000H+ + 4.000H2O = Co(OH)4-2
|
|
#-llnl_gamma 4.7
|
|
log_k -46.420 #98PLY/ZHA1
|
|
delta_h 214.483 #kJ/mol
|
|
# Enthalpy of formation: -986.435 #kJ/mol
|
|
-analytic -8.84425E+0 0E+0 -1.12032E+4 0E+0 0E+0
|
|
|
|
1.000Co+2 - 1.000H+ - 2.000e- + 1.000Cn- + 1.000HSe- = Co(SeCn)+
|
|
#-llnl_gamma 4.1
|
|
log_k 14.530 #75SAT/SAH
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.453E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Co+2 + 1.000SeO4-2 = Co(SeO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.700 #05OLI/NOL
|
|
delta_h -3.617 #kJ/mol
|
|
# Enthalpy of formation: -664.716 #kJ/mol
|
|
-analytic 2.06633E+0 0E+0 1.88929E+2 0E+0 0E+0
|
|
|
|
2.000Co+2 - 1.000H+ + 1.000H2O = Co2(OH)+3
|
|
#-llnl_gamma 8.2
|
|
log_k -9.830 #98PLY/ZHA1
|
|
delta_h 30.030 #kJ/mol
|
|
# Enthalpy of formation: -371 #kJ/mol #98PLY/ZHA1
|
|
-analytic -4.56898E+0 0E+0 -1.56857E+3 0E+0 0E+0
|
|
|
|
4.000Co+2 - 4.000H+ + 4.000H2O = Co4(OH)4+4
|
|
#-llnl_gamma 11.6
|
|
log_k -29.880 #98PLY/ZHA1
|
|
delta_h 149.720 #kJ/mol
|
|
# Enthalpy of formation: -1224 #kJ/mol #98PLY/ZHA1
|
|
-analytic -3.65022E+0 0E+0 -7.82041E+3 0E+0 0E+0
|
|
|
|
1.000Co+2 + 1.000CO3-2 = CoCO3
|
|
#-llnl_gamma 3.4
|
|
log_k 4.230 #97MAR/SMI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.23E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Co+2 + 1.000Cl- = CoCl+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.570 #81TUR/WHI
|
|
delta_h -2.180 #kJ/mol
|
|
# Enthalpy of formation: -226.859 #kJ/mol
|
|
-analytic 1.88081E-1 0E+0 1.13869E+2 0E+0 0E+0
|
|
|
|
1.000Co+2 + 2.000Cl- = CoCl2
|
|
#-llnl_gamma 3.4
|
|
log_k 0.020 #06BLA/IGN
|
|
delta_h 4.074 #kJ/mol #06BLA/IGN
|
|
# Enthalpy of formation: -387.686 #kJ/mol
|
|
-analytic 7.33733E-1 0E+0 -2.128E+2 0E+0 0E+0
|
|
|
|
1.000Co+2 + 3.000Cl- = CoCl3-
|
|
#-llnl_gamma 3.6
|
|
log_k -1.710 #06BLA/IGN
|
|
delta_h 6.688 #kJ/mol #06BLA/IGN
|
|
# Enthalpy of formation: -552.152 #kJ/mol
|
|
-analytic -5.38314E-1 0E+0 -3.49338E+2 0E+0 0E+0
|
|
|
|
1.000Co+2 + 4.000Cl- = CoCl4-2
|
|
#-llnl_gamma 4.7
|
|
log_k -2.090 #06BLA/IGN
|
|
delta_h 22.570 #kJ/mol #06BLA/IGN
|
|
# Enthalpy of formation: -703.35 #kJ/mol
|
|
-analytic 1.86409E+0 0E+0 -1.17891E+3 0E+0 0E+0
|
|
|
|
1.000Co+2 + 1.000F- = CoF+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.500 #97MAR/SMI
|
|
delta_h -0.631 #kJ/mol
|
|
# Enthalpy of formation: -393.58 #kJ/mol
|
|
-analytic 1.38945E+0 0E+0 3.29594E+1 0E+0 0E+0
|
|
|
|
1.000Co+2 + 1.000H+ + 1.000CO3-2 = CoHCO3+
|
|
#-llnl_gamma 4.1
|
|
log_k 12.220 #97MAR/SMI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.222E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Co+2 - 1.000H+ + 1.000H2(PO4)- = CoHPO4
|
|
#-llnl_gamma 3.4
|
|
log_k -4.150 #97MAR/SMI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.15E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Co+2 + 1.000HS- = CoHS+
|
|
#-llnl_gamma 4.1
|
|
log_k 5.670 #66KHO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.67E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Co+2 + 1.000S2O3-2 = CoS2O3
|
|
#-llnl_gamma 3.4
|
|
log_k 2.050 #51DEN/MON
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.05E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Co+2 + 1.000SO4-2 = CoSO4
|
|
#-llnl_gamma 3.4
|
|
log_k 2.300 #97MAR/SMI
|
|
delta_h 2.092 #kJ/mol #74NAU/RYZ
|
|
# Enthalpy of formation: -964.848 #kJ/mol
|
|
-analytic 2.6665E+0 0E+0 -1.09273E+2 0E+0 0E+0
|
|
|
|
1.000H2(PO4)- + 1.000Cr+3 = Cr(H2PO4)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.560 #66LAH/ADI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.56E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000H2(PO4)- + 1.000Cr+3 = Cr(HPO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 2.250 #76ALE/MAS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.25E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 2.000CO3-2 + 1.000Cr+3 + 1.000H2O = Cr(OH)(CO3)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 9.730 #07RAI/MOO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.73E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000Cr+2 + 1.000H2O = Cr(OH)+
|
|
#-llnl_gamma 4.1
|
|
log_k -5.300 #83MIC/DEB, 04CHI
|
|
delta_h 30.327 #kJ/mol
|
|
# Enthalpy of formation: -413.117 #kJ/mol
|
|
-analytic 1.30545E-2 0E+0 -1.58409E+3 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000Cr+3 + 1.000H2O = Cr(OH)+2
|
|
#-llnl_gamma 5.7
|
|
log_k -3.420 #04RAI/MOO
|
|
delta_h 37.222 #kJ/mol
|
|
# Enthalpy of formation: -489.108 #kJ/mol
|
|
-analytic 3.101E+0 0E+0 -1.94424E+3 0E+0 0E+0
|
|
|
|
- 2.000H+ + 1.000Cr+3 + 2.000H2O = Cr(OH)2+
|
|
#-llnl_gamma 4.1
|
|
log_k -8.900 #11GRI/COL4
|
|
delta_h 93.198 #kJ/mol
|
|
# Enthalpy of formation: -718.961 #kJ/mol
|
|
-analytic 7.42756E+0 0E+0 -4.86806E+3 0E+0 0E+0
|
|
|
|
- 3.000H+ + 1.000Cr+3 + 3.000H2O = Cr(OH)3
|
|
#-llnl_gamma 3.4
|
|
log_k -14.340 #04RAI/MOO
|
|
delta_h 143.704 #kJ/mol
|
|
# Enthalpy of formation: -954.285 #kJ/mol
|
|
-analytic 1.08358E+1 0E+0 -7.50617E+3 0E+0 0E+0
|
|
|
|
- 3.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(H2PO4)-
|
|
#-llnl_gamma 3.6
|
|
log_k -11.560 #04RAI/MOO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.156E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 3.000H+ + 2.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(H2PO4)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k -10.860 #04RAI/MOO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.086E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 4.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(HPO4)-2
|
|
#-llnl_gamma 4.7
|
|
log_k -19.580 #04RAI/MOO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.958E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 5.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 3.000H2O = Cr(OH)3(PO4)-3
|
|
#-llnl_gamma 6.7
|
|
log_k -30.240 #98ZIE/JON
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.024E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 4.000H+ + 1.000CO3-2 + 1.000Cr+3 + 4.000H2O = Cr(OH)4(CO3)-3
|
|
#-llnl_gamma 6.7
|
|
log_k -25.690 #07RAI/MOO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.569E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 5.000H+ + 2.000H2(PO4)- + 1.000Cr+3 + 4.000H2O = Cr(OH)4(HPO4)(H2PO4)-4
|
|
#-llnl_gamma 9.6
|
|
log_k -28.760 #98ZIE/JON
|
|
delta_h 14.000 #kJ/mol #98ZIE/JON
|
|
# Enthalpy of formation: -3975.02 #kJ/mol
|
|
-analytic -2.63073E+1 0E+0 -7.3127E+2 0E+0 0E+0
|
|
|
|
- 4.000H+ + 1.000Cr+3 + 4.000H2O = Cr(OH)4-
|
|
#-llnl_gamma 3.6
|
|
log_k -25.860 #04RAI/MOO
|
|
delta_h 193.614 #kJ/mol
|
|
# Enthalpy of formation: -1190.205 #kJ/mol
|
|
-analytic 8.05967E+0 0E+0 -1.01131E+4 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000CO3-2 + 1.000Cr+3 + 1.000H2O = Cr(OH)CO3
|
|
#-llnl_gamma 3.4
|
|
log_k 4.000 #07RAI/MOO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 2.000Cl- + 1.000Cr+3 + 1.000H2O = Cr(OH)Cl2
|
|
#-llnl_gamma 3.4
|
|
log_k -5.730
|
|
delta_h 32.720 #kJ/mol
|
|
# Enthalpy of formation: -827.77 #kJ/mol #76DEL/HEP
|
|
-analytic 2.28952E-3 0E+0 -1.70908E+3 0E+0 0E+0
|
|
|
|
- 2.000H+ + 2.000Cr+3 + 2.000H2O = Cr2(OH)2+4
|
|
#-llnl_gamma 11.6
|
|
log_k -4.000 #11GRI/COL4
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000H+ + 2.000CrO4-2 - 1.000H2O = Cr2O7-2
|
|
#-llnl_gamma 4.7
|
|
log_k 14.750 #87PAL/WES, 04CHI
|
|
delta_h -3.752 #kJ/mol
|
|
# Enthalpy of formation: -1475.923 #kJ/mol
|
|
-analytic 1.40927E+1 0E+0 1.9598E+2 0E+0 0E+0
|
|
|
|
- 4.000H+ + 3.000Cr+3 + 4.000H2O = Cr3(OH)4+5
|
|
#-llnl_gamma 15.9
|
|
log_k -7.600 #11GRI/COL4
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -7.6E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Br- + 1.000Cr+3 = CrBr+2
|
|
#-llnl_gamma 5.7
|
|
log_k -0.620
|
|
delta_h 22.588 #kJ/mol
|
|
# Enthalpy of formation: -339.322 #kJ/mol #76DEL/HEP
|
|
-analytic 3.33724E+0 0E+0 -1.17985E+3 0E+0 0E+0
|
|
|
|
1.000Cl- + 1.000Cr+2 = CrCl+
|
|
#-llnl_gamma 4.1
|
|
log_k 5.600 #91ALL/BRO
|
|
delta_h -20.200 #kJ/mol #91ALL/BRO
|
|
# Enthalpy of formation: -344.894 #kJ/mol
|
|
-analytic 2.06112E+0 0E+0 1.05512E+3 0E+0 0E+0
|
|
|
|
1.000Cl- + 1.000Cr+3 = CrCl+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.620 #64SIL/MAR
|
|
delta_h 20.920 #kJ/mol #64SIL/MAR
|
|
# Enthalpy of formation: -386.66 #kJ/mol
|
|
-analytic 4.28502E+0 0E+0 -1.09273E+3 0E+0 0E+0
|
|
|
|
2.000Cl- + 1.000Cr+3 = CrCl2+
|
|
#-llnl_gamma 4.1
|
|
log_k -0.710 #64SIL/MAR
|
|
delta_h 20.920 #kJ/mol #64SIL/MAR
|
|
# Enthalpy of formation: -553.74 #kJ/mol
|
|
-analytic 2.95502E+0 0E+0 -1.09273E+3 0E+0 0E+0
|
|
|
|
1.000F- + 1.000Cr+3 = CrF+2
|
|
#-llnl_gamma 5.7
|
|
log_k 5.210 #81TUR/WHI
|
|
delta_h -2.510 #kJ/mol #53HEP/JOL
|
|
# Enthalpy of formation: -578.36 #kJ/mol
|
|
-analytic 4.77027E+0 0E+0 1.31106E+2 0E+0 0E+0
|
|
|
|
2.000F- + 1.000Cr+3 = CrF2+
|
|
#-llnl_gamma 4.1
|
|
log_k 9.310 #81TUR/WHI
|
|
delta_h -0.418 #kJ/mol #53HEP/JOL
|
|
# Enthalpy of formation: -911.618 #kJ/mol
|
|
-analytic 9.23677E+0 0E+0 2.18336E+1 0E+0 0E+0
|
|
|
|
3.000F- + 1.000Cr+3 = CrF3
|
|
#-llnl_gamma 3.4
|
|
log_k 11.910 #81TUR/WHI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.191E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000Cl- + 1.000CrO4-2 - 1.000H2O = CrO3Cl-
|
|
#-llnl_gamma 3.6
|
|
log_k 8.080
|
|
delta_h 5.450 #kJ/mol
|
|
# Enthalpy of formation: -754.8 #kJ/mol #76DEL/HEP
|
|
-analytic 9.0348E+0 0E+0 -2.84673E+2 0E+0 0E+0
|
|
|
|
1.000SO4-2 + 1.000Cr+3 = CrSO4+
|
|
#-llnl_gamma 4.1
|
|
log_k 4.610 #81TUR/WHI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.61E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cs+ + 1.000Cit-3 = Cs(Cit)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 0.980 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.8E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cs+ + 1.000Edta-4 = Cs(Edta)-3
|
|
#-llnl_gamma 5.5
|
|
log_k 1.300 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cs+ + 1.000Nta-3 = Cs(Nta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 0.850 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.5E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cs+ - 1.000H+ + 1.000H2O = Cs(OH)
|
|
#-llnl_gamma 3.4
|
|
log_k -15.640
|
|
delta_h 65.736 #kJ/mol
|
|
# Enthalpy of formation: -478.094 #kJ/mol #97SHO/SAS2
|
|
-analytic -4.12356E+0 0E+0 -3.43363E+3 0E+0 0E+0
|
|
|
|
1.000Cs+ + 1.000Br- = CsBr
|
|
#-llnl_gamma 3.4
|
|
log_k 0.100
|
|
delta_h 5.912 #kJ/mol
|
|
# Enthalpy of formation: -373.497 #kJ/mol
|
|
-analytic 1.13574E+0 0E+0 -3.08805E+2 0E+0 0E+0
|
|
|
|
1.000Cs+ + 1.000Cl- = CsCl
|
|
#-llnl_gamma 3.4
|
|
log_k -0.090
|
|
delta_h 7.514 #kJ/mol
|
|
# Enthalpy of formation: -417.566 #kJ/mol
|
|
-analytic 1.22639E+0 0E+0 -3.92483E+2 0E+0 0E+0
|
|
|
|
1.000Cs+ + 1.000F- = CsF
|
|
#-llnl_gamma 3.4
|
|
log_k -0.380
|
|
delta_h 2.436 #kJ/mol
|
|
# Enthalpy of formation: -590.913 #kJ/mol
|
|
-analytic 4.67683E-2 0E+0 -1.27241E+2 0E+0 0E+0
|
|
|
|
1.000Cs+ + 1.000I- = CsI
|
|
#-llnl_gamma 3.4
|
|
log_k 1.050
|
|
delta_h -0.071 #kJ/mol
|
|
# Enthalpy of formation: -314.85 #kJ/mol
|
|
-analytic 1.03756E+0 0E+0 3.70858E+0 0E+0 0E+0
|
|
|
|
1.000Cu+2 + 1.000B(OH)4- = Cu(B(OH)4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 7.130 #80BAS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7.13E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cu+2 + 2.000B(OH)4- = Cu(B(OH)4)2
|
|
#-llnl_gamma 3.4
|
|
log_k 12.450 #80BAS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.245E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cu+2 + 3.000B(OH)4- = Cu(B(OH)4)3-
|
|
#-llnl_gamma 3.6
|
|
log_k 15.170 #80BAS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.517E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cu+2 + 1.000SeO4-2 = Cu(SeO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.200 #Upper value suggested in 05OLI/NOL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 1.000Acetate- = Eu(Acetate)+2
|
|
#-llnl_gamma 5.5
|
|
log_k 2.900 #12GRI/GAR2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 2.000Acetate- = Eu(Acetate)2+
|
|
#-llnl_gamma 5.5
|
|
log_k 4.800 #12GRI/GAR2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.8E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 3.000Acetate- = Eu(Acetate)3
|
|
#-llnl_gamma 5.5
|
|
log_k 5.600 #12GRI/GAR2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.6E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 1.000CO3-2 = Eu(CO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 7.900 #95SPA/BRU
|
|
delta_h 167.547 #kJ/mol
|
|
# Enthalpy of formation: -1113.008 #kJ/mol
|
|
-analytic 3.72529E+1 0E+0 -8.75158E+3 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 2.000CO3-2 = Eu(CO3)2-
|
|
#-llnl_gamma 3.6
|
|
log_k 12.900 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 3.000CO3-2 = Eu(CO3)3-3
|
|
#-llnl_gamma 6.7
|
|
log_k 14.800 #05VER/VIT2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 1.000H2(PO4)- = Eu(H2PO4)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.400 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 1.000H+ + 1.000CO3-2 = Eu(HCO3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 12.430 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.243E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 - 1.000H+ + 1.000H2(PO4)- = Eu(HPO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k -1.510 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.51E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 - 2.000H+ + 2.000H2(PO4)- = Eu(HPO4)2-
|
|
#-llnl_gamma 3.6
|
|
log_k -4.820 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.82E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 1.000Malonate-2 = Eu(Malonate)+
|
|
#-llnl_gamma 5.5
|
|
log_k 5.430 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.43E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 2.000Malonate-2 = Eu(Malonate)2-
|
|
#-llnl_gamma 5.5
|
|
log_k 7.780 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7.78E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 1.000NO3- = Eu(NO3)+2
|
|
#-llnl_gamma 5.7
|
|
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
|
|
|
|
1.000Eu+3 - 1.000H+ + 1.000H2O = Eu(OH)+2
|
|
#-llnl_gamma 5.7
|
|
log_k -7.800 #95SPA/BRU
|
|
delta_h 79.824 #kJ/mol
|
|
# Enthalpy of formation: -811.331 #kJ/mol
|
|
-analytic 6.18454E+0 0E+0 -4.16949E+3 0E+0 0E+0
|
|
|
|
1.000Eu+3 - 2.000H+ + 2.000H2O = Eu(OH)2+
|
|
#-llnl_gamma 4.1
|
|
log_k -15.700 #07NEC/ALT2
|
|
delta_h 144.521 #kJ/mol
|
|
# Enthalpy of formation: -1032.464 #kJ/mol
|
|
-analytic 9.61896E+0 0E+0 -7.54885E+3 0E+0 0E+0
|
|
|
|
1.000Eu+3 - 3.000H+ + 3.000H2O = Eu(OH)3
|
|
#-llnl_gamma 3.4
|
|
log_k -26.200 #07NEC/ALT2
|
|
delta_h 226.861 #kJ/mol
|
|
# Enthalpy of formation: -1235.953 #kJ/mol
|
|
-analytic 1.35443E+1 0E+0 -1.18498E+4 0E+0 0E+0
|
|
|
|
1.000Eu+3 - 3.000H+ + 1.000HIsa- + 3.000H2O = Eu(OH)3(HIsa)-
|
|
#-llnl_gamma 5.5
|
|
log_k -20.900 #05TIT/WIE
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.09E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 - 4.000H+ + 4.000H2O = Eu(OH)4-
|
|
#-llnl_gamma 3.6
|
|
log_k -40.700 #07NEC/ALT2
|
|
delta_h 296.791 #kJ/mol
|
|
# Enthalpy of formation: -1451.852 #kJ/mol
|
|
-analytic 1.12955E+1 0E+0 -1.55025E+4 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 1.000Ox-2 = Eu(Ox)+
|
|
#-llnl_gamma 5.5
|
|
log_k 6.550 #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.55E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 2.000Ox-2 = Eu(Ox)2-
|
|
#-llnl_gamma 5.5
|
|
log_k 10.930 # Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.093E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 3.000Ox-2 = Eu(Ox)3-3
|
|
#-llnl_gamma 5.5
|
|
log_k 12.480 #Richard et al. 2011. Extrapolation to I=0 from various data, specially using the constant reported in 01SCH/BYR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.248E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 - 2.000H+ + 1.000H2(PO4)- = Eu(PO4)
|
|
#-llnl_gamma 3.4
|
|
log_k -7.360 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -7.36E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 - 4.000H+ + 2.000H2(PO4)- = Eu(PO4)2-3
|
|
#-llnl_gamma 6.7
|
|
log_k -18.460 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.846E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 1.000Phthalat-2 = Eu(Phthalat)+
|
|
#-llnl_gamma 5.5
|
|
log_k 4.960 #11GRI/COL3
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.96E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 2.000Phthalat-2 = Eu(Phthalat)2-
|
|
#-llnl_gamma 5.5
|
|
log_k 7.340 #11GRI/COL3
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7.34E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 1.000SO4-2 = Eu(SO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 3.500 #95SPA/BRU
|
|
delta_h 15.577 #kJ/mol
|
|
# Enthalpy of formation: -1499.088 #kJ/mol
|
|
-analytic 6.22897E+0 0E+0 -8.13642E+2 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 2.000SO4-2 = Eu(SO4)2-
|
|
#-llnl_gamma 3.6
|
|
log_k 5.200 #95SPA/BRU
|
|
delta_h 23.017 #kJ/mol
|
|
# Enthalpy of formation: -2400.987 #kJ/mol
|
|
-analytic 9.2324E+0 0E+0 -1.20226E+3 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 1.000Succinat-2 = Eu(Succinat)+
|
|
#-llnl_gamma 5.5
|
|
log_k 4.360 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.36E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 2.000Succinat-2 = Eu(Succinat)2-
|
|
#-llnl_gamma 5.5
|
|
log_k 6.500 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 1.000Br- = EuBr+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.250 #95SPA/BRU
|
|
delta_h 16.223 #kJ/mol
|
|
# Enthalpy of formation: -710.511 #kJ/mol
|
|
-analytic 3.09214E+0 0E+0 -8.47385E+2 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 2.000Br- = EuBr2+
|
|
#-llnl_gamma 4.1
|
|
log_k -0.090 #95SPA/BRU
|
|
delta_h 26.498 #kJ/mol
|
|
# Enthalpy of formation: -821.646 #kJ/mol
|
|
-analytic 4.55224E+0 0E+0 -1.38408E+3 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 1.000Cl- = EuCl+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.760 #Original data 01LUO/BYR and 04LUO/BYR
|
|
delta_h 21.929 #kJ/mol
|
|
# Enthalpy of formation: -750.476 #kJ/mol
|
|
-analytic 4.60179E+0 0E+0 -1.14543E+3 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 2.000Cl- = EuCl2+
|
|
#-llnl_gamma 4.1
|
|
log_k -0.050 #95SPA/BRU
|
|
delta_h 35.334 #kJ/mol
|
|
# Enthalpy of formation: -904.151 #kJ/mol
|
|
-analytic 6.14024E+0 0E+0 -1.84562E+3 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 1.000F- = EuF+2
|
|
#-llnl_gamma 5.7
|
|
log_k 4.330 #07LUO/BYR
|
|
delta_h 24.956 #kJ/mol
|
|
# Enthalpy of formation: -915.719 #kJ/mol
|
|
-analytic 8.7021E+0 0E+0 -1.30354E+3 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 2.000F- = EuF2+
|
|
#-llnl_gamma 4.1
|
|
log_k 6.550 #Original data from 99SCH/BYR and 04LUO/BYR
|
|
delta_h 21.483 #kJ/mol
|
|
# Enthalpy of formation: -1254.542 #kJ/mol
|
|
-analytic 1.03137E+1 0E+0 -1.12213E+3 0E+0 0E+0
|
|
|
|
1.000Eu+3 + 3.000F- = EuF3
|
|
#-llnl_gamma 3.4
|
|
log_k 10.600 #95SPA/BRU
|
|
delta_h -8.343 #kJ/mol
|
|
# Enthalpy of formation: -1619.717 #kJ/mol
|
|
-analytic 9.13837E+0 0E+0 4.35785E+2 0E+0 0E+0
|
|
|
|
1.000Eu+3 - 1.000H+ + 1.000H4(SiO4) = EuSiO(OH)3+2
|
|
#-llnl_gamma 5.7
|
|
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
|
|
|
|
1.000Fe+3 + 1.000B(OH)4- = Fe(B(OH)4)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 8.580 #80BAS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.58E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 2.000B(OH)4- = Fe(B(OH)4)2+
|
|
#-llnl_gamma 4.1
|
|
log_k 15.540 #80BAS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.554E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 1.000CO3-2 = Fe(CO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 5.690 #98KIN in 99CHI3
|
|
delta_h -5.764 #kJ/mol
|
|
# Enthalpy of formation: -770.994 #kJ/mol
|
|
-analytic 4.68019E+0 0E+0 3.01074E+2 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 2.000CO3-2 = Fe(CO3)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 7.450 #98KIN in 99CHI3
|
|
delta_h 55.740 #kJ/mol
|
|
# Enthalpy of formation: -1384.72 #kJ/mol
|
|
-analytic 1.72152E+1 0E+0 -2.9115E+3 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 3.000CO3-2 = Fe(CO3)3-3
|
|
#-llnl_gamma 6.7
|
|
log_k 24.240 #05GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.424E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000Cit-3 = Fe(Cit)
|
|
#-llnl_gamma 5.5
|
|
log_k 12.650 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.265E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Fe(Cit)(OH)-
|
|
#-llnl_gamma 5.5
|
|
log_k 10.330 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.033E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 1.000Cit-3 = Fe(Cit)-
|
|
#-llnl_gamma 5.5
|
|
log_k 6.100 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.1E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 - 2.000H+ + 2.000Cit-3 + 2.000H2O = Fe(Cit)2(OH)2-5
|
|
#-llnl_gamma 5.5
|
|
log_k 3.440 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.44E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 2.000Cit-3 = Fe(Cit)2-3
|
|
#-llnl_gamma 5.5
|
|
log_k 18.150 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.815E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 6.000Cn- = Fe(Cn)6-3
|
|
#-llnl_gamma 6.7
|
|
log_k 43.600 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.36E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 6.000Cn- = Fe(Cn)6-4
|
|
#-llnl_gamma 9.6
|
|
log_k 35.400 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.54E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000Edta-4 = Fe(Edta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 27.700 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.77E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 1.000Edta-4 = Fe(Edta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 16.020 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.602E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 2.000H+ + 1.000Cit-3 = Fe(H2Cit)+
|
|
#-llnl_gamma 5.5
|
|
log_k 24.700 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.47E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 2.000H+ + 1.000Cit-3 = Fe(H2Cit)+2
|
|
#-llnl_gamma 5.5
|
|
log_k 30.400 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.04E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 1.000H2(PO4)- = Fe(H2PO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 2.690 #USGS original
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.69E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000H2(PO4)- = Fe(H2PO4)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 5.420 #USGS original
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.42E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 - 1.000H+ + 1.000H4(SiO4) = Fe(H3SiO4)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.360 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.6E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 1.000H+ + 1.000Cit-3 = Fe(HCit)
|
|
#-llnl_gamma 5.5
|
|
log_k 10.020 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.002E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000H+ + 2.000Cit-3 = Fe(HCit)(Cit)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 19.300 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.93E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000H+ + 1.000Cit-3 = Fe(HCit)+
|
|
#-llnl_gamma 5.5
|
|
log_k 13.560 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.356E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 2.000H+ + 2.000Cit-3 = Fe(HCit)2-
|
|
#-llnl_gamma 5.5
|
|
log_k 24.920 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.492E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000H+ + 1.000Edta-4 = Fe(HEdta)
|
|
#-llnl_gamma 5.5
|
|
log_k 29.200 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.92E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 1.000H+ + 1.000Edta-4 = Fe(HEdta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 18.300 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 1.000H+ + 1.000Nta-3 = Fe(HNta)
|
|
#-llnl_gamma 5.5
|
|
log_k 12.300 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.23E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000H+ + 1.000Ox-2 = Fe(HOx)+2
|
|
#-llnl_gamma 5.5
|
|
log_k 9.300 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.3E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 - 1.000H+ + 1.000H2(PO4)- = Fe(HPO4)
|
|
#-llnl_gamma 3.4
|
|
log_k -3.610 #USGS original
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.61E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 - 1.000H+ + 1.000H2(PO4)- = Fe(HPO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.630 #96BOU4
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.63E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 1.000HS- = Fe(HS)+
|
|
#-llnl_gamma 4.1
|
|
log_k 4.340 #04CHI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.34E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 2.000HS- = Fe(HS)2
|
|
#-llnl_gamma 3.4
|
|
log_k 6.450 #04CHI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.45E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 1.000H+ + 1.000SO4-2 = Fe(HSO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 3.070 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.07E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000H+ + 1.000SeO3-2 = Fe(HSeO3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 12.350 #01SEB/POT2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.235E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 1.000NH3 = Fe(NH3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 1.300 #82SCH
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 2.000NH3 = Fe(NH3)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.100 #82SCH
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 4.000NH3 = Fe(NH3)4+2
|
|
#-llnl_gamma 5.7
|
|
log_k 3.600 #82SCH
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.6E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000NO3- = Fe(NO3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.950 #HATCHES 8.0 1996
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.5E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000Nta-3 = Fe(Nta)
|
|
#-llnl_gamma 5.5
|
|
log_k 18.600 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.86E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 1.000Nta-3 = Fe(Nta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 10.600 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.06E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 2.000Nta-3 = Fe(Nta)2-3
|
|
#-llnl_gamma 5.5
|
|
log_k 27.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.7E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 2.000Nta-3 = Fe(Nta)2-4
|
|
#-llnl_gamma 5.5
|
|
log_k 13.500 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.35E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Fe(OH)(Cit)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 1.500 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Fe(OH)(Edta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 20.840 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.084E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Fe(OH)(Edta)-3
|
|
#-llnl_gamma 5.5
|
|
log_k 6.400 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.4E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Fe(OH)(Nta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 14.600 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.46E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Fe(OH)(Nta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k -0.120 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.2E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 - 1.000H+ + 1.000H2O = Fe(OH)+
|
|
#-llnl_gamma 4.1
|
|
log_k -9.500 #76BAE/MES in 99CHI3
|
|
delta_h 55.304 #kJ/mol #76BAE/MES in 99CHI3
|
|
# Enthalpy of formation: -320.526 #kJ/mol
|
|
-analytic 1.88831E-1 0E+0 -2.88872E+3 0E+0 0E+0
|
|
|
|
1.000Fe+3 - 1.000H+ + 1.000H2O = Fe(OH)+2
|
|
#-llnl_gamma 5.7
|
|
log_k -2.190 #76BAE/MES in 98CHI
|
|
delta_h 43.514 #kJ/mol #76BAE/MES in 98CHI
|
|
# Enthalpy of formation: -291.316 #kJ/mol
|
|
-analytic 5.43331E+0 0E+0 -2.27289E+3 0E+0 0E+0
|
|
|
|
1.000Fe+2 - 2.000H+ + 2.000H2O = Fe(OH)2
|
|
#-llnl_gamma 3.4
|
|
log_k -20.600 #76BAE/MES in 99CHI3
|
|
delta_h 119.662 #kJ/mol #76BAE/MES in 99CHI3
|
|
# Enthalpy of formation: -541.998 #kJ/mol
|
|
-analytic 3.63852E-1 0E+0 -6.25037E+3 0E+0 0E+0
|
|
|
|
1.000Fe+3 - 2.000H+ + 1.000Cit-3 + 2.000H2O = Fe(OH)2(Cit)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 2.900 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Fe(OH)2(Edta)-3
|
|
#-llnl_gamma 5.5
|
|
log_k 10.060 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.006E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 - 2.000H+ + 1.000Edta-4 + 2.000H2O = Fe(OH)2(Edta)-4
|
|
#-llnl_gamma 5.5
|
|
log_k -4.400 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.4E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Fe(OH)2(Nta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 6.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 - 2.000H+ + 2.000H2O = Fe(OH)2+
|
|
#-llnl_gamma 4.1
|
|
log_k -5.670 #76BAE/MES in 98CHI
|
|
delta_h 71.546 #kJ/mol #76BAE/MES in 98CHI
|
|
# Enthalpy of formation: -549.114 #kJ/mol
|
|
-analytic 6.8643E+0 0E+0 -3.7371E+3 0E+0 0E+0
|
|
|
|
1.000Fe+3 - 3.000H+ + 3.000H2O = Fe(OH)3
|
|
#-llnl_gamma 3.4
|
|
log_k -12.560 #91PEA/BER in 98CHI
|
|
delta_h 103.764 #kJ/mol #91PEA/BER in 98CHI
|
|
# Enthalpy of formation: -802.726 #kJ/mol
|
|
-analytic 5.61865E+0 0E+0 -5.41996E+3 0E+0 0E+0
|
|
|
|
1.000Fe+3 - 3.000H+ + 1.000Edta-4 + 3.000H2O = Fe(OH)3(Edta)-4
|
|
#-llnl_gamma 5.5
|
|
log_k 8.300 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.3E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 - 3.000H+ + 3.000H2O = Fe(OH)3-
|
|
#-llnl_gamma 3.6
|
|
log_k -31.900 #76BAE/MES in 99CHI3
|
|
delta_h 138.072 #kJ/mol #76BAE/MES in 99CHI3
|
|
# Enthalpy of formation: -809.418 #kJ/mol
|
|
-analytic -7.71086E+0 0E+0 -7.21199E+3 0E+0 0E+0
|
|
|
|
1.000Fe+3 - 4.000H+ + 4.000H2O = Fe(OH)4-
|
|
#-llnl_gamma 3.6
|
|
log_k -21.600 #76BAE/MES in 98CHI
|
|
delta_h 133.471 #kJ/mol #76BAE/MES in 98CHI
|
|
# Enthalpy of formation: -1058.849 #kJ/mol
|
|
-analytic 1.78308E+0 0E+0 -6.97167E+3 0E+0 0E+0
|
|
|
|
1.000Fe+2 - 4.000H+ + 4.000H2O = Fe(OH)4-2
|
|
#-llnl_gamma 4.7
|
|
log_k -46.000 #76BAE/MES in 99CHI3
|
|
delta_h 158.747 #kJ/mol
|
|
# Enthalpy of formation: -1074.572 #kJ/mol
|
|
-analytic -1.81888E+1 0E+0 -8.29192E+3 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 1.000Ox-2 = Fe(Ox)
|
|
#-llnl_gamma 5.5
|
|
log_k 4.100 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.1E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000Ox-2 = Fe(Ox)+
|
|
#-llnl_gamma 5.5
|
|
log_k 9.530 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.53E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 2.000Ox-2 = Fe(Ox)2-
|
|
#-llnl_gamma 5.5
|
|
log_k 15.750 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.575E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 2.000Ox-2 = Fe(Ox)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k 6.200 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.2E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 3.000Ox-2 = Fe(Ox)3-3
|
|
#-llnl_gamma 5.5
|
|
log_k 20.200 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.02E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 3.000Ox-2 = Fe(Ox)3-4
|
|
#-llnl_gamma 5.5
|
|
log_k 5.220 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.22E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 1.000SO4-2 = Fe(SO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.200 #91PEA/BER in 98CHI
|
|
delta_h 13.514 #kJ/mol #91PEA/BER in 98CHI
|
|
# Enthalpy of formation: -985.826 #kJ/mol
|
|
-analytic 4.56755E+0 0E+0 -7.05884E+2 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000SO4-2 = Fe(SO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 4.100 #95BOU in 98CHI
|
|
delta_h 16.359 #kJ/mol #95BOU in 98CHI
|
|
# Enthalpy of formation: -941.981 #kJ/mol
|
|
-analytic 6.96597E+0 0E+0 -8.54489E+2 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 2.000SO4-2 = Fe(SO4)2-
|
|
#-llnl_gamma 3.6
|
|
log_k 5.400 #91PEA/BER in 98CHI
|
|
delta_h 19.248 #kJ/mol #91PEA/BER in 98CHI
|
|
# Enthalpy of formation: -1848.432 #kJ/mol
|
|
-analytic 8.7721E+0 0E+0 -1.00539E+3 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000SeO3-2 = Fe(SeO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 11.150 #05OLI/NOL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.115E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 1.000SeO4-2 = Fe(SeO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.710 #01SEB/POT2
|
|
delta_h -12.602 #kJ/mol
|
|
# Enthalpy of formation: -706.102 #kJ/mol
|
|
-analytic 5.02228E-1 0E+0 6.58247E+2 0E+0 0E+0
|
|
|
|
2.000Fe+3 - 2.000H+ + 2.000Cit-3 + 2.000H2O = Fe2(Cit)2(OH)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k 17.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.7E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000Fe+3 - 2.000H+ + 2.000Edta-4 + 2.000H2O = Fe2(OH)2(Edta)2-4
|
|
#-llnl_gamma 5.5
|
|
log_k 40.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000Fe+3 - 2.000H+ + 2.000H2O = Fe2(OH)2+4
|
|
#-llnl_gamma 11.6
|
|
log_k -2.950 #91PEA/BER in 98CHI
|
|
delta_h 56.484 #kJ/mol #91PEA/BER in 98CHI
|
|
# Enthalpy of formation: -613.176 #kJ/mol
|
|
-analytic 6.94556E+0 0E+0 -2.95036E+3 0E+0 0E+0
|
|
|
|
3.000Fe+3 - 4.000H+ + 4.000H2O = Fe3(OH)4+5
|
|
#-llnl_gamma 15.9
|
|
log_k -6.300 #76BAE/MES in 98CHI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.3E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000Br- = FeBr+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.700 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 2.000Br- = FeBr2+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.900 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O = FeCO3OH
|
|
#-llnl_gamma 3.4
|
|
log_k 10.760 #05GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.076E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 - 1.000H+ + 1.000CO3-2 + 1.000H2O = FeCO3OH-
|
|
#-llnl_gamma 3.6
|
|
log_k -4.030 #98KIN in 99CHI3
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.03E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 1.000Cl- = FeCl+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.140 #91PEA/BER in 98CHI
|
|
delta_h -0.078 #kJ/mol #91PEA/BER in 98CHI
|
|
# Enthalpy of formation: -257.158 #kJ/mol
|
|
-analytic 1.26335E-1 0E+0 4.07422E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000Cl- = FeCl+2
|
|
#-llnl_gamma 5.7
|
|
log_k 1.400 #95BOU in 98CHI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.4E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 2.000Cl- = FeCl2
|
|
#-llnl_gamma 3.4
|
|
log_k -0.520 #95CHI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.2E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 2.000Cl- = FeCl2+
|
|
#-llnl_gamma 4.1
|
|
log_k 2.100 #95BOU in 98CHI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 3.000Cl- = FeCl3
|
|
#-llnl_gamma 3.4
|
|
log_k 1.130 #90NOR/PLU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.13E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 3.000Cl- = FeCl3-
|
|
#-llnl_gamma 3.6
|
|
log_k 1.020 #95CHI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.02E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 4.000Cl- = FeCl4-
|
|
#-llnl_gamma 3.6
|
|
log_k -0.790 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -7.9E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000CrO4-2 = FeCrO4+
|
|
#-llnl_gamma 4.1
|
|
log_k 7.800 #96BAR/PAL
|
|
delta_h 19.100 #kJ/mol #96BAR/PAL
|
|
# Enthalpy of formation: -908.9 #kJ/mol
|
|
-analytic 1.11462E+1 0E+0 -9.97661E+2 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 1.000F- = FeF+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.000 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000F- = FeF+2
|
|
#-llnl_gamma 5.7
|
|
log_k 6.130 #92PEA/BER in 98CHI
|
|
delta_h 11.297 #kJ/mol #92PEA/BER in 98CHI
|
|
# Enthalpy of formation: -373.053 #kJ/mol
|
|
-analytic 8.10915E+0 0E+0 -5.90083E+2 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 2.000F- = FeF2+
|
|
#-llnl_gamma 4.1
|
|
log_k 10.800 #92PEA/BER in 98CHI
|
|
delta_h 19.665 #kJ/mol #92PEA/BER in 98CHI
|
|
# Enthalpy of formation: -700.035 #kJ/mol
|
|
-analytic 1.42452E+1 0E+0 -1.02717E+3 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 3.000F- = FeF3
|
|
#-llnl_gamma 3.4
|
|
log_k 14.000 #92PEA/BER in 98CHI
|
|
delta_h 22.595 #kJ/mol #92PEA/BER in 98CHI
|
|
# Enthalpy of formation: -1032.455 #kJ/mol
|
|
-analytic 1.79585E+1 0E+0 -1.18022E+3 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 2.000H+ + 1.000Pyrophos-4 = FeH2Pyrophos+
|
|
#-llnl_gamma 4.1
|
|
log_k 26.000 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.6E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+2 + 1.000H+ + 1.000CO3-2 = FeHCO3+
|
|
#-llnl_gamma 4.1
|
|
log_k 11.770 #95CHI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.177E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000H+ + 1.000SO4-2 = FeHSO4+2
|
|
#-llnl_gamma 5.7
|
|
log_k 4.470 #90NOR/PLU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.47E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000I- = FeI+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.100 #96BOU2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.1E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000S2O3-2 = FeS2O3+
|
|
#-llnl_gamma 4.1
|
|
log_k 3.900 #82SCH
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Fe+3 + 1.000Scn- = FeScn+2
|
|
#-llnl_gamma 5.7
|
|
log_k 3.100 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.1E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Adipate-2 = H(Adipate)-
|
|
#-llnl_gamma 5.5
|
|
log_k 5.450 #04MAR/SMI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.45E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 2.000H+ + 1.000H3(AsO3) = H(AsO3)-2
|
|
#-llnl_gamma 4.7
|
|
log_k -23.620 #79IVA/VOR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.362E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000AsO4-3 = H(AsO4)-2
|
|
#-llnl_gamma 4.7
|
|
log_k 11.600
|
|
delta_h -18.200 #kJ/mol
|
|
# Enthalpy of formation: -906.34 #kJ/mol #09RAN/FUG
|
|
-analytic 8.4115E+0 0E+0 9.50651E+2 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Cit-3 = H(Cit)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 6.360 #05HUM/AND
|
|
delta_h 3.300 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -1516.62 #kJ/mol
|
|
-analytic 6.93813E+0 0E+0 -1.72371E+2 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Edta-4 = H(Edta)-3
|
|
#-llnl_gamma 5.5
|
|
log_k 11.240 #05HUM/AND
|
|
delta_h -19.800 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -1724.6 #kJ/mol
|
|
-analytic 7.77119E+0 0E+0 1.03422E+3 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Malonate-2 = H(Malonate)-
|
|
#-llnl_gamma 5.5
|
|
log_k 5.710 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.71E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Nta-3 = H(Nta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 10.280 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.028E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Ox-2 = H(Ox)-
|
|
#-llnl_gamma 5.5
|
|
log_k 4.250 #05HUM/AND
|
|
delta_h 7.300 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -823.36 #kJ/mol
|
|
-analytic 5.5289E+0 0E+0 -3.81305E+2 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Pyrophos-4 = H(Pyrophos)-3
|
|
#-llnl_gamma 6.7
|
|
log_k 9.400 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.4E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000S2O3-2 = H(S2O3)-
|
|
#-llnl_gamma 3.6
|
|
log_k 1.720 #04CHI
|
|
delta_h 8.253 #kJ/mol
|
|
# Enthalpy of formation: -644.033 #kJ/mol
|
|
-analytic 3.16586E+0 0E+0 -4.31084E+2 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000SO3-2 = H(SO3)-
|
|
#-llnl_gamma 3.6
|
|
log_k 7.170 #85GOL/PAR
|
|
delta_h 3.668 #kJ/mol
|
|
# Enthalpy of formation: -627.392 #kJ/mol
|
|
-analytic 7.81261E+0 0E+0 -1.91593E+2 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000SO4-2 = H(SO4)-
|
|
#-llnl_gamma 3.6
|
|
log_k 1.980
|
|
delta_h 22.440 #kJ/mol
|
|
# Enthalpy of formation: -886.9 #kJ/mol #92GRE/FUG
|
|
-analytic 5.91131E+0 0E+0 -1.17212E+3 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000SeO3-2 = H(SeO3)-
|
|
#-llnl_gamma 3.6
|
|
log_k 8.360 #05OLI/NOL
|
|
delta_h -5.170 #kJ/mol
|
|
# Enthalpy of formation: -512.33 #kJ/mol #05OLI/NOL
|
|
-analytic 7.45426E+0 0E+0 2.70048E+2 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000SeO4-2 = H(SeO4)-
|
|
#-llnl_gamma 3.6
|
|
log_k 1.750 #05OLI/NOL
|
|
delta_h 20.800 #kJ/mol #05OLI/NOL
|
|
# Enthalpy of formation: -582.7 #kJ/mol
|
|
-analytic 5.394E+0 0E+0 -1.08646E+3 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Suberate-2 = H(Suberate)-
|
|
#-llnl_gamma 5.5
|
|
log_k 5.400 #31GAN/ING
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.4E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Succinat-2 = H(Succinat)-
|
|
#-llnl_gamma 5.5
|
|
log_k 5.710 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.71E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000Adipate-2 = H2(Adipate)
|
|
#-llnl_gamma 5.5
|
|
log_k 9.890 #04MAR/SMI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.89E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000H3(AsO3) = H2(AsO3)-
|
|
#-llnl_gamma 3.6
|
|
log_k -9.220
|
|
delta_h 27.410 #kJ/mol
|
|
# Enthalpy of formation: -714.79 #kJ/mol #10RAN/FUG
|
|
-analytic -4.41798E+0 0E+0 -1.43172E+3 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000AsO4-3 = H2(AsO4)-
|
|
#-llnl_gamma 3.6
|
|
log_k 18.370
|
|
delta_h -21.420 #kJ/mol
|
|
# Enthalpy of formation: -909.56 #kJ/mol #09RAN/FUG
|
|
-analytic 1.46174E+1 0E+0 1.11884E+3 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000Cit-3 = H2(Cit)-
|
|
#-llnl_gamma 5.5
|
|
log_k 11.140 #05HUM/AND
|
|
delta_h 0.900 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -1519.02 #kJ/mol
|
|
-analytic 1.12977E+1 0E+0 -4.70102E+1 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000Edta-4 = H2(Edta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 18.040 #05HUM/AND
|
|
delta_h -35.000 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -1739.8 #kJ/mol
|
|
-analytic 1.19083E+1 0E+0 1.82817E+3 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000Malonate-2 = H2(Malonate)
|
|
#-llnl_gamma 5.5
|
|
log_k 8.670 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.67E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000Nta-3 = H2(Nta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 13.200 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.32E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000Ox-2 = H2(Ox)
|
|
#-llnl_gamma 5.5
|
|
log_k 5.650 #05HUM/AND
|
|
delta_h 10.600 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -820.06 #kJ/mol
|
|
-analytic 7.50704E+0 0E+0 -5.53676E+2 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000Pyrophos-4 = H2(Pyrophos)-2
|
|
#-llnl_gamma 4.7
|
|
log_k 16.050 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.605E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000S2O3-2 = H2(S2O3)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.320 #04CHI
|
|
delta_h 22.917 #kJ/mol
|
|
# Enthalpy of formation: -629.369 #kJ/mol
|
|
-analytic 6.33488E+0 0E+0 -1.19704E+3 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000SO3-2 = H2(SO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 9.030 #85GOL/PAR
|
|
delta_h 21.453 #kJ/mol
|
|
# Enthalpy of formation: -609.607 #kJ/mol
|
|
-analytic 1.27884E+1 0E+0 -1.12057E+3 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000SeO3-2 = H2(SeO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 11.000 #05OLI/NOL
|
|
delta_h 1.840 #kJ/mol
|
|
# Enthalpy of formation: -505.32 #kJ/mol #05OLI/NOL
|
|
-analytic 1.13224E+1 0E+0 -9.61098E+1 0E+0 0E+0
|
|
|
|
- 2.000H+ + 1.000H4(SiO4) = H2(SiO4)-2
|
|
#-llnl_gamma 4.7
|
|
log_k -23.140 #92GRE/FUG
|
|
delta_h 75.000 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -1386.194 #kJ/mol
|
|
-analytic -1.00006E+1 0E+0 -3.91752E+3 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000Suberate-2 = H2(Suberate)
|
|
#-llnl_gamma 5.5
|
|
log_k 9.920 #31GAN/ING
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.92E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000Succinat-2 = H2(Succinat)
|
|
#-llnl_gamma 5.5
|
|
log_k 9.950 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.95E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000CrO4-2 = H2CrO4
|
|
#-llnl_gamma 3.4
|
|
log_k 6.320 #76BAE/MES, 04CHI
|
|
delta_h 39.596 #kJ/mol
|
|
# Enthalpy of formation: -839.404 #kJ/mol
|
|
-analytic 1.32569E+1 0E+0 -2.06824E+3 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000H2(PO4)- + 1.000CrO4-2 - 1.000H2O = H2CrPO7-
|
|
#-llnl_gamma 3.6
|
|
log_k 9.020
|
|
delta_h -51.490 #kJ/mol
|
|
# Enthalpy of formation: -1947.26 #kJ/mol #76DEL/HAL
|
|
-analytic -6.47544E-4 0E+0 2.68951E+3 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000HGlu- = H2Glu
|
|
#-llnl_gamma 5.5
|
|
log_k 3.900 #98ZUB/CAS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000HIsa- = H2Isa
|
|
#-llnl_gamma 5.5
|
|
log_k 4.000 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000MoO4-2 = H2MoO4
|
|
#-llnl_gamma 3.4
|
|
log_k 8.150 #68SAS/SIL, 64AVE/ANA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.15E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000Phthalat-2 = H2Phthalat
|
|
#-llnl_gamma 5.5
|
|
log_k 8.320 #10RIC/SAB1
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.32E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000HS- = H2S
|
|
#-llnl_gamma 3.4
|
|
log_k 6.990
|
|
delta_h -22.300 #kJ/mol
|
|
# Enthalpy of formation: -38.6 #kJ/mol #89COX/WAG
|
|
-analytic 3.08321E+0 0E+0 1.16481E+3 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000S2O4-2 = H2S2O4
|
|
#-llnl_gamma 3.4
|
|
log_k 2.800 #04CHI
|
|
delta_h 20.193 #kJ/mol
|
|
# Enthalpy of formation: -733.307 #kJ/mol
|
|
-analytic 6.33766E+0 0E+0 -1.05475E+3 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000HSe- = H2Se
|
|
#-llnl_gamma 3.4
|
|
log_k 3.850
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: 14.3 #kJ/mol #05OLI/NOL
|
|
-analytic 3.85E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000H+ + 1.000AsO4-3 = H3(AsO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 20.630
|
|
delta_h -14.360 #kJ/mol
|
|
# Enthalpy of formation: -902.5 #kJ/mol #09RAN/FUG
|
|
-analytic 1.81142E+1 0E+0 7.50074E+2 0E+0 0E+0
|
|
|
|
3.000H+ + 1.000Cit-3 = H3(Cit)
|
|
#-llnl_gamma 5.5
|
|
log_k 14.270 #05HUM/AND
|
|
delta_h -3.600 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -1523.52 #kJ/mol
|
|
-analytic 1.36393E+1 0E+0 1.88041E+2 0E+0 0E+0
|
|
|
|
3.000H+ + 1.000Edta-4 = H3(Edta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 21.190 #05HUM/AND
|
|
delta_h -27.900 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -1732.7 #kJ/mol
|
|
-analytic 1.63021E+1 0E+0 1.45732E+3 0E+0 0E+0
|
|
|
|
3.000H+ + 1.000Nta-3 = H3(Nta)
|
|
#-llnl_gamma 5.5
|
|
log_k 15.330 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.533E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000H2(PO4)- = H3(PO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.140 #92GRE/FUG
|
|
delta_h 8.480 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -1294.12 #kJ/mol
|
|
-analytic 3.62563E+0 0E+0 -4.42941E+2 0E+0 0E+0
|
|
|
|
3.000H+ + 1.000Pyrophos-4 = H3(Pyrophos)-
|
|
#-llnl_gamma 3.6
|
|
log_k 18.300 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.83E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000H4(SiO4) = H3(SiO4)-
|
|
#-llnl_gamma 3.6
|
|
log_k -9.840 #06BLA/PIA
|
|
delta_h 29.363 #kJ/mol
|
|
# Enthalpy of formation: -1431.831 #kJ/mol
|
|
-analytic -4.69583E+0 0E+0 -1.53373E+3 0E+0 0E+0
|
|
|
|
4.000H+ + 1.000Edta-4 = H4(Edta)
|
|
#-llnl_gamma 5.5
|
|
log_k 23.420 #05HUM/AND
|
|
delta_h -26.000 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -1730.8 #kJ/mol
|
|
-analytic 1.8865E+1 0E+0 1.35807E+3 0E+0 0E+0
|
|
|
|
4.000H+ + 1.000Nta-3 = H4(Nta)+
|
|
#-llnl_gamma 5.5
|
|
log_k 16.130 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.613E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
4.000H+ + 1.000Pyrophos-4 = H4(Pyrophos)
|
|
#-llnl_gamma 3.4
|
|
log_k 19.300 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: -2280.21 #kJ/mol #92GRE/FUG
|
|
-analytic 1.93E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
5.000H+ + 1.000Edta-4 = H5(Edta)+
|
|
#-llnl_gamma 5.5
|
|
log_k 24.720 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.472E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
6.000H+ + 1.000Edta-4 = H6(Edta)+2
|
|
#-llnl_gamma 5.5
|
|
log_k 24.220 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.422E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Acetate- = HAcetate
|
|
#-llnl_gamma 5.5
|
|
log_k 4.760
|
|
delta_h 0.250 #kJ/mol
|
|
# Enthalpy of formation: -485.76 #kJ/mol #82WAG/EVA
|
|
-analytic 4.8038E+0 0E+0 -1.30584E+1 0E+0 0E+0
|
|
|
|
1.000H+ + 2.000B(OH)4- - 4.000H2O = HB2O4-
|
|
#-llnl_gamma 3.6
|
|
log_k 9.170 #97CRO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.17E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000CO3-2 = HCO3-
|
|
#-llnl_gamma 3.6
|
|
log_k 10.330
|
|
delta_h -14.700 #kJ/mol
|
|
# Enthalpy of formation: -689.93 #kJ/mol #89COX/WAG
|
|
-analytic 7.75467E+0 0E+0 7.67833E+2 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Cl- = HCl
|
|
#-llnl_gamma 3.4
|
|
log_k -0.710 #97TAG/ZOT
|
|
delta_h -12.298 #kJ/mol
|
|
# Enthalpy of formation: -179.377 #kJ/mol
|
|
-analytic -2.86451E+0 0E+0 6.42368E+2 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000CrO4-2 = HCrO4-
|
|
#-llnl_gamma 3.6
|
|
log_k 6.520 #87PAL/WES, 04CHI
|
|
delta_h 6.016 #kJ/mol
|
|
# Enthalpy of formation: -872.985 #kJ/mol
|
|
-analytic 7.57396E+0 0E+0 -3.14237E+2 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000H2(PO4)- + 1.000CrO4-2 - 1.000H2O = HCrPO7-2
|
|
#-llnl_gamma 4.7
|
|
log_k 6.370
|
|
delta_h -36.390 #kJ/mol
|
|
# Enthalpy of formation: -1932.16 #kJ/mol #76DEL/HEP
|
|
-analytic -5.24498E-3 0E+0 1.90078E+3 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000MoO4-2 = HMoO4-
|
|
#-llnl_gamma 3.6
|
|
log_k 4.110 #68SAS/SIL, 64AVE/ANA
|
|
delta_h 58.576 #kJ/mol #68ARN/SZI in 76BAE/MES
|
|
# Enthalpy of formation: -938.424 #kJ/mol
|
|
-analytic 1.43721E+1 0E+0 -3.05963E+3 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000H2(PO4)- = HPO4-2
|
|
#-llnl_gamma 4.7
|
|
log_k -7.210
|
|
delta_h 3.600 #kJ/mol
|
|
# Enthalpy of formation: -1299 #kJ/mol #89COX/WAG
|
|
-analytic -6.57931E+0 0E+0 -1.88041E+2 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Phthalat-2 = HPhthalat-
|
|
#-llnl_gamma 5.5
|
|
log_k 5.340 #10RIC/SAB1
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.34E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000S2O4-2 = HS2O4-
|
|
#-llnl_gamma 3.6
|
|
log_k 2.500 #04CHI
|
|
delta_h 3.818 #kJ/mol
|
|
# Enthalpy of formation: -749.683 #kJ/mol
|
|
-analytic 3.16888E+0 0E+0 -1.99428E+2 0E+0 0E+0
|
|
|
|
- 1.000H+ - 2.000e- + 1.000SO4-2 + 1.000H2O = HSO5-
|
|
#-llnl_gamma 3.6
|
|
log_k -60.210
|
|
delta_h 419.540 #kJ/mol
|
|
# Enthalpy of formation: -775.63 #kJ/mol #88SHO/HEL
|
|
-analytic 1.32901E+1 0E+0 -2.19141E+4 0E+0 0E+0
|
|
|
|
4.000CO3-2 + 1.000Hf+4 = Hf(CO3)4-4
|
|
#-llnl_gamma 9.6
|
|
log_k 42.900 #analogy with Zr
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.29E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000NO3- + 1.000Hf+4 = Hf(NO3)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.490 #65DES/KHO recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.49E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000Hf+4 + 1.000H2O = Hf(OH)+3
|
|
#-llnl_gamma 8.2
|
|
log_k -0.200 #01RAI/XIA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 4.000H+ + 1.000Hf+4 + 4.000H2O = Hf(OH)4
|
|
#-llnl_gamma 3.4
|
|
log_k -11.200 #01RAI/XIA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.12E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 5.000H+ + 1.000Hf+4 + 5.000H2O = Hf(OH)5-
|
|
#-llnl_gamma 3.6
|
|
log_k -20.300 #01RAI/XIA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.03E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 6.000H+ + 1.000Hf+4 + 6.000H2O = Hf(OH)6-2
|
|
#-llnl_gamma 4.7
|
|
log_k -32.800 #01RAI/XIA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.28E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000SO4-2 + 1.000Hf+4 = Hf(SO4)2
|
|
#-llnl_gamma 3.4
|
|
log_k 10.110 #65DES/KHO recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.011E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Br- + 1.000Hf+4 = HfBr+3
|
|
#-llnl_gamma 8.2
|
|
log_k 0.380 #67HAL/POH recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.8E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Cl- + 1.000Hf+4 = HfCl+3
|
|
#-llnl_gamma 8.2
|
|
log_k 2.200 #65DES/KHO and others recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000Cl- + 1.000Hf+4 = HfCl2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.050 #65DES/KHO and others recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.05E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000F- + 1.000Hf+4 = HfF+3
|
|
#-llnl_gamma 8.2
|
|
log_k 9.290 #05SAW/THA and others recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.29E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000F- + 1.000Hf+4 = HfF2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 17.850 #05SAW/THA and others recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.785E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000F- + 1.000Hf+4 = HfF3+
|
|
#-llnl_gamma 4.1
|
|
log_k 25.080 #05SAW/THA and others recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.508E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
4.000F- + 1.000Hf+4 = HfF4
|
|
#-llnl_gamma 3.4
|
|
log_k 31.410 #05SAW/THA and others recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.141E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000I- + 1.000Hf+4 = HfI+3
|
|
#-llnl_gamma 8.2
|
|
log_k 0.020 #67HAL/POH recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2E-2 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NO3- + 1.000Hf+4 = HfNO3+3
|
|
#-llnl_gamma 8.2
|
|
log_k 1.850 #65DES/KHO 69HAL/SMO recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.85E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000SO4-2 + 1.000Hf+4 = HfSO4+2
|
|
#-llnl_gamma 5.7
|
|
log_k 6.060 #65DES/KHO recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.06E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ho+3 + 1.000CO3-2 = Ho(CO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 8.000 #95SPA/BRU
|
|
delta_h 168.557 #kJ/mol
|
|
# Enthalpy of formation: -1213.716 #kJ/mol
|
|
-analytic 3.75299E+1 0E+0 -8.80433E+3 0E+0 0E+0
|
|
|
|
1.000Ho+3 + 2.000CO3-2 = Ho(CO3)2-
|
|
#-llnl_gamma 3.6
|
|
log_k 13.300 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.33E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ho+3 + 3.000CO3-2 = Ho(CO3)3-3
|
|
#-llnl_gamma 6.7
|
|
log_k 14.800 #05VER/VIT2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ho+3 + 1.000H2(PO4)- = Ho(H2PO4)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.300 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Ho+3 + 1.000CO3-2 = Ho(HCO3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 12.500 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.25E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000Ho+3 + 1.000H2(PO4)- = Ho(HPO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k -1.410 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.41E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 2.000H+ + 1.000Ho+3 + 2.000H2(PO4)- = Ho(HPO4)2-
|
|
#-llnl_gamma 3.6
|
|
log_k -4.520 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.52E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ho+3 + 1.000NO3- = Ho(NO3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.500 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000Ho+3 + 1.000H2O = Ho(OH)+2
|
|
#-llnl_gamma 5.7
|
|
log_k -7.900 #95SPA/BRU
|
|
delta_h 79.900 #kJ/mol
|
|
# Enthalpy of formation: -912.972 #kJ/mol
|
|
-analytic 6.09786E+0 0E+0 -4.17346E+3 0E+0 0E+0
|
|
|
|
- 2.000H+ + 1.000Ho+3 + 2.000H2O = Ho(OH)2+
|
|
#-llnl_gamma 4.1
|
|
log_k -15.700 #07NEC/ALT2
|
|
delta_h 143.847 #kJ/mol
|
|
# Enthalpy of formation: -1134.855 #kJ/mol
|
|
-analytic 9.50088E+0 0E+0 -7.51364E+3 0E+0 0E+0
|
|
|
|
- 3.000H+ + 1.000Ho+3 + 3.000H2O = Ho(OH)3
|
|
#-llnl_gamma 3.4
|
|
log_k -26.200 #07NEC/ALT2
|
|
delta_h 226.067 #kJ/mol
|
|
# Enthalpy of formation: -1338.464 #kJ/mol
|
|
-analytic 1.34052E+1 0E+0 -1.18083E+4 0E+0 0E+0
|
|
|
|
- 4.000H+ + 1.000Ho+3 + 4.000H2O = Ho(OH)4-
|
|
#-llnl_gamma 3.6
|
|
log_k -40.700 #07NEC/ALT2
|
|
delta_h 295.819 #kJ/mol
|
|
# Enthalpy of formation: -1554.542 #kJ/mol
|
|
-analytic 1.11252E+1 0E+0 -1.54517E+4 0E+0 0E+0
|
|
|
|
- 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)- = Ho(PO4)
|
|
#-llnl_gamma 3.4
|
|
log_k -6.960 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.96E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 4.000H+ + 1.000Ho+3 + 2.000H2(PO4)- = Ho(PO4)2-3
|
|
#-llnl_gamma 6.7
|
|
log_k -17.820 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.782E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ho+3 + 1.000SO4-2 = Ho(SO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 3.400 #95SPA/BRU
|
|
delta_h 15.384 #kJ/mol
|
|
# Enthalpy of formation: -1600.998 #kJ/mol
|
|
-analytic 6.09516E+0 0E+0 -8.03561E+2 0E+0 0E+0
|
|
|
|
1.000Ho+3 + 2.000SO4-2 = Ho(SO4)2-
|
|
#-llnl_gamma 3.6
|
|
log_k 4.900 #95SPA/BRU
|
|
delta_h 23.668 #kJ/mol
|
|
# Enthalpy of formation: -2502.054 #kJ/mol
|
|
-analytic 9.04645E+0 0E+0 -1.23626E+3 0E+0 0E+0
|
|
|
|
1.000Ho+3 + 1.000Cl- = HoCl+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.740 #Original data from 01LUO/BYR and 04LUO/BYR
|
|
delta_h 22.013 #kJ/mol
|
|
# Enthalpy of formation: -852.109 #kJ/mol
|
|
-analytic 4.59651E+0 0E+0 -1.14982E+3 0E+0 0E+0
|
|
|
|
1.000Ho+3 + 2.000Cl- = HoCl2+
|
|
#-llnl_gamma 4.1
|
|
log_k -0.290 #81TUR/WHI
|
|
delta_h 36.357 #kJ/mol
|
|
# Enthalpy of formation: -1004.844 #kJ/mol
|
|
-analytic 6.07946E+0 0E+0 -1.89906E+3 0E+0 0E+0
|
|
|
|
1.000Ho+3 + 1.000F- = HoF+2
|
|
#-llnl_gamma 5.7
|
|
log_k 4.330 #07LUO/BYR
|
|
delta_h 25.761 #kJ/mol
|
|
# Enthalpy of formation: -1016.631 #kJ/mol
|
|
-analytic 8.84313E+0 0E+0 -1.34559E+3 0E+0 0E+0
|
|
|
|
1.000Ho+3 + 2.000F- = HoF2+
|
|
#-llnl_gamma 4.1
|
|
log_k 6.520 #Original data from 99SCH/BYR and 04LUO/BYR
|
|
delta_h 21.110 #kJ/mol #04LUO/MIL
|
|
# Enthalpy of formation: -1356.632 #kJ/mol
|
|
-analytic 1.02183E+1 0E+0 -1.10265E+3 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000Ho+3 + 1.000H4(SiO4) = HoSiO(OH)3+2
|
|
#-llnl_gamma 5.7
|
|
log_k -2.620 #Original data from 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
|
|
|
|
- 2.000e- + 3.000I- = I3-
|
|
#-llnl_gamma 3.6
|
|
log_k -18.170
|
|
delta_h 118.877 #kJ/mol
|
|
# Enthalpy of formation: -51.463 #kJ/mol #92JOH/OEL
|
|
-analytic 2.65633E+0 0E+0 -6.20937E+3 0E+0 0E+0
|
|
|
|
- 2.000e- + 2.000Cl- + 1.000I- = ICl2-
|
|
#-llnl_gamma 3.6
|
|
log_k -26.800 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.68E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 2.000H+ - 2.000e- + 1.000I- + 1.000H2O = IO-
|
|
#-llnl_gamma 3.6
|
|
log_k -44.000 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.4E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 8.000H+ - 8.000e- + 1.000I- + 4.000H2O = IO4-
|
|
#-llnl_gamma 3.6
|
|
log_k -164.980
|
|
delta_h 1048.639 #kJ/mol
|
|
# Enthalpy of formation: -151.461 #kJ/mol #92JOH/OEL
|
|
-analytic 1.87334E+1 0E+0 -5.47741E+4 0E+0 0E+0
|
|
|
|
1.000K+ + 1.000Edta-4 = K(Edta)-3
|
|
#-llnl_gamma 5.5
|
|
log_k 1.800 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.8E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000K+ + 1.000H+ + 1.000Nta-3 = K(HNta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 10.300 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.03E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000K+ - 1.000H+ + 1.000H2(PO4)- = K(HPO4)-
|
|
#-llnl_gamma 3.6
|
|
log_k -6.400 #97MAR/SMI
|
|
delta_h 31.589 #kJ/mol #97MAR/SMI
|
|
# Enthalpy of formation: -1523.151 #kJ/mol
|
|
-analytic -8.65853E-1 0E+0 -1.65001E+3 0E+0 0E+0
|
|
|
|
1.000K+ + 1.000IO3- = K(IO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 0.020 #estimation NEA87 08/2/95
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2E-2 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000K+ + 1.000NO3- = K(NO3)
|
|
#-llnl_gamma 3.4
|
|
log_k -0.150 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.5E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000K+ + 1.000Nta-3 = K(Nta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 1.300 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000K+ - 1.000H+ + 1.000H2O = K(OH)
|
|
#-llnl_gamma 3.4
|
|
log_k -14.460 #76BAE/MES
|
|
delta_h 66.438 #kJ/mol
|
|
# Enthalpy of formation: -471.532 #kJ/mol
|
|
-analytic -2.82058E+0 0E+0 -3.47029E+3 0E+0 0E+0
|
|
|
|
1.000K+ + 1.000Pyrophos-4 = K(Pyrophos)-3
|
|
#-llnl_gamma 6.7
|
|
log_k 2.100 #76MAR/SMI
|
|
delta_h 7.113 #kJ/mol #76MAR/SMI
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.34614E+0 0E+0 -3.71537E+2 0E+0 0E+0
|
|
|
|
1.000K+ + 1.000SO4-2 = K(SO4)-
|
|
#-llnl_gamma 3.6
|
|
log_k 0.880 #97SVE/SHO
|
|
delta_h 2.949 #kJ/mol
|
|
# Enthalpy of formation: -1158.53 #kJ/mol
|
|
-analytic 1.39664E+0 0E+0 -1.54037E+2 0E+0 0E+0
|
|
|
|
1.000K+ + 1.000Al+3 - 4.000H+ + 4.000H2O = KAl(OH)4
|
|
#-llnl_gamma 3.4
|
|
log_k -24.220
|
|
delta_h 211.675 #kJ/mol
|
|
# Enthalpy of formation: -1722.185 #kJ/mol #97POK/HEL2
|
|
-analytic 1.28638E+1 0E+0 -1.10565E+4 0E+0 0E+0
|
|
|
|
1.000K+ + 1.000Cl- = KCl
|
|
#-llnl_gamma 3.4
|
|
log_k -0.500 #97MAR/SMI
|
|
delta_h 4.184 #kJ/mol #97MAR/SMI
|
|
# Enthalpy of formation: -415.036 #kJ/mol
|
|
-analytic 2.33004E-1 0E+0 -2.18545E+2 0E+0 0E+0
|
|
|
|
1.000K+ + 1.000H2(PO4)- = KH2PO4
|
|
#-llnl_gamma 3.4
|
|
log_k 0.440 #97MAR/SMI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.4E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000K+ + 1.000I- = KI
|
|
#-llnl_gamma 3.4
|
|
log_k -1.570
|
|
delta_h 9.011 #kJ/mol
|
|
# Enthalpy of formation: -299.909 #kJ/mol #92JOH/OEL
|
|
-analytic 8.65712E-3 0E+0 -4.70677E+2 0E+0 0E+0
|
|
|
|
1.000K+ - 2.000H+ + 1.000H2(PO4)- = KPO4-2
|
|
#-llnl_gamma 4.7
|
|
log_k -18.260 #97MAR/SMI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.826E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000CO3-2 = Mg(CO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.980 #97SVE/SHO
|
|
delta_h 8.810 #kJ/mol
|
|
# Enthalpy of formation: -1133.42 #kJ/mol
|
|
-analytic 4.52344E+0 0E+0 -4.60178E+2 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000Cit-3 = Mg(Cit)-
|
|
#-llnl_gamma 5.5
|
|
log_k 4.810 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.81E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000Edta-4 = Mg(Edta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 10.900 #05HUM/AND
|
|
delta_h 19.800 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -2152 #kJ/mol
|
|
-analytic 1.43688E+1 0E+0 -1.03422E+3 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 2.000H+ + 1.000Cit-3 = Mg(H2Cit)+
|
|
#-llnl_gamma 5.5
|
|
log_k 12.450 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.245E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000H2(PO4)- = Mg(H2PO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.170 #81TUR/WHI
|
|
delta_h 13.514 #kJ/mol #96BOU1
|
|
# Enthalpy of formation: -1756.086 #kJ/mol
|
|
-analytic 3.53755E+0 0E+0 -7.05884E+2 0E+0 0E+0
|
|
|
|
1.000Mg+2 - 1.000H+ + 1.000H4(SiO4) = Mg(H3SiO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k -8.580 #97SVE/SHO
|
|
delta_h 27.114 #kJ/mol
|
|
# Enthalpy of formation: -1901.08 #kJ/mol
|
|
-analytic -3.82984E+0 0E+0 -1.41626E+3 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000H+ + 1.000CO3-2 = Mg(HCO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 11.370 #95SHO/KOR
|
|
delta_h -12.888 #kJ/mol
|
|
# Enthalpy of formation: -1155.118 #kJ/mol
|
|
-analytic 9.11212E+0 0E+0 6.73186E+2 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000H+ + 1.000Cit-3 = Mg(HCit)
|
|
#-llnl_gamma 5.5
|
|
log_k 8.960 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.96E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000H+ + 1.000Edta-4 = Mg(HEdta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 15.400 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.54E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000H+ + 1.000Malonate-2 = Mg(HMalonate)+
|
|
#-llnl_gamma 5.5
|
|
log_k 7.050 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7.05E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 - 1.000H+ + 1.000H2(PO4)- = Mg(HPO4)
|
|
#-llnl_gamma 3.4
|
|
log_k -4.300 #76SMI/MAR
|
|
delta_h 16.152 #kJ/mol #76SMI/MAR
|
|
# Enthalpy of formation: -1753.448 #kJ/mol
|
|
-analytic -1.4703E+0 0E+0 -8.43676E+2 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000H+ + 1.000Succinat-2 = Mg(HSuccinat)+
|
|
#-llnl_gamma 5.5
|
|
log_k 6.720 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.72E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000IO3- = Mg(IO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.700 #estimation NEA87 08/2/95 ;
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000Malonate-2 = Mg(Malonate)
|
|
#-llnl_gamma 5.5
|
|
log_k 2.860 #76KLA/OST
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.86E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000NH3 = Mg(NH3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.100
|
|
delta_h 0.022 #kJ/mol
|
|
# Enthalpy of formation: -548.148 #kJ/mol #03-91 MINTEQL-PSI
|
|
-analytic 1.03854E-1 0E+0 -1.14914E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 3.000NH3 = Mg(NH3)3+2
|
|
#-llnl_gamma 5.7
|
|
log_k -0.300
|
|
delta_h 0.066 #kJ/mol
|
|
# Enthalpy of formation: -710.444 #kJ/mol #03-91 MINTEQL-PSI
|
|
-analytic -2.88437E-1 0E+0 -3.44742E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 4.000NH3 = Mg(NH3)4+2
|
|
#-llnl_gamma 5.7
|
|
log_k -1.000
|
|
delta_h 0.088 #kJ/mol
|
|
# Enthalpy of formation: -791.592 #kJ/mol #03-91 MINTEQL-PSI
|
|
-analytic -9.84583E-1 0E+0 -4.59655E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000Nta-3 = Mg(Nta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 6.790 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 - 1.000H+ + 1.000H2O = Mg(OH)+
|
|
#-llnl_gamma 4.1
|
|
log_k -11.680 #97SHO/SAS2
|
|
delta_h 62.834 #kJ/mol
|
|
# Enthalpy of formation: -689.995 #kJ/mol
|
|
-analytic -6.71972E-1 0E+0 -3.28204E+3 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000Ox-2 = Mg(Ox)
|
|
#-llnl_gamma 5.5
|
|
log_k 3.560 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.56E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 2.000Ox-2 = Mg(Ox)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k 5.170 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.17E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 - 2.000H+ + 1.000H2(PO4)- = Mg(PO4)-
|
|
#-llnl_gamma 3.6
|
|
log_k -14.710 #81TUR/WHI
|
|
delta_h 31.170 #kJ/mol #96BOU1
|
|
# Enthalpy of formation: -1738.43 #kJ/mol
|
|
-analytic -9.24926E+0 0E+0 -1.62812E+3 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000Pyrophos-4 = Mg(Pyrophos)-2
|
|
#-llnl_gamma 4.7
|
|
log_k 7.200 #76SMI/MAR
|
|
delta_h 12.540 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.39691E+0 0E+0 -6.55009E+2 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000S2O3-2 = Mg(S2O3)
|
|
#-llnl_gamma 3.4
|
|
log_k 1.820 #76SMI/MAR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.82E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000SO4-2 = Mg(SO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.230 #76SMI/MAR
|
|
delta_h 5.858 #kJ/mol #76SMI/MAR
|
|
# Enthalpy of formation: -1370.482 #kJ/mol
|
|
-analytic 3.25628E+0 0E+0 -3.05984E+2 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000SeO4-2 = Mg(SeO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.200 #05OLI/NOL
|
|
delta_h -6.614 #kJ/mol
|
|
# Enthalpy of formation: -1077.114 #kJ/mol
|
|
-analytic 1.04128E+0 0E+0 3.45473E+2 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000Succinat-2 = Mg(Succinat)
|
|
#-llnl_gamma 5.5
|
|
log_k 2.270 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.27E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
4.000Mg+2 - 4.000H+ + 4.000H2O = Mg4(OH)4+4
|
|
#-llnl_gamma 11.6
|
|
log_k -39.750 #76BAE/MES
|
|
delta_h 229.186 #kJ/mol
|
|
# Enthalpy of formation: -2782.132 #kJ/mol
|
|
-analytic 4.01605E-1 0E+0 -1.19712E+4 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000B(OH)4- = MgB(OH)4+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.600 #97CRO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.6E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000Br- = MgBr+
|
|
#-llnl_gamma 4.1
|
|
log_k -0.140 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.4E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000Cl- = MgCl+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.350 #96BOU1
|
|
delta_h -1.728 #kJ/mol
|
|
# Enthalpy of formation: -635.808 #kJ/mol
|
|
-analytic 4.72678E-2 0E+0 9.02596E+1 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000F- = MgF+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.800 #96BOU
|
|
delta_h 13.389 #kJ/mol #96BOU
|
|
# Enthalpy of formation: -788.961 #kJ/mol
|
|
-analytic 4.14565E+0 0E+0 -6.99355E+2 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 1.000I- = MgI+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.180 #92JOH/OEL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.8E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mg+2 + 2.000I- = MgI2
|
|
#-llnl_gamma 3.4
|
|
log_k 0.030 #92JOH/OEL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3E-2 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 1.000CO3-2 = Mn(CO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 6.500 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 1.000H+ + 1.000CO3-2 = Mn(HCO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 11.610 #95CHI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.161E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 - 1.000H+ + 1.000H2(PO4)- = Mn(HPO4)
|
|
#-llnl_gamma 3.4
|
|
log_k -3.260 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.26E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 - 2.000H+ + 2.000H2(PO4)- = Mn(HPO4)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k -9.120 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -9.12E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 1.000IO3- = Mn(IO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.840 #estimation NEA87 08/2/95
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.4E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 2.000IO3- = Mn(IO3)2
|
|
#-llnl_gamma 3.4
|
|
log_k 0.130 #estimation NEA87 08/2/95
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.3E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 1.000NH3 = Mn(NH3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.700 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 2.000NH3 = Mn(NH3)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 1.200 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.2E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 1.000NO3- = Mn(NO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.160 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.6E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 2.000NO3- = Mn(NO3)2
|
|
#-llnl_gamma 3.4
|
|
log_k 0.500 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 - 1.000H+ + 1.000H2O = Mn(OH)+
|
|
#-llnl_gamma 4.1
|
|
log_k -10.590 #95CHI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.059E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 - 2.000H+ + 2.000H2O = Mn(OH)2
|
|
#-llnl_gamma 3.4
|
|
log_k -22.200 #95CHI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.22E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 - 3.000H+ + 3.000H2O = Mn(OH)3-
|
|
#-llnl_gamma 3.6
|
|
log_k -34.800 #95CHI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.48E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 - 4.000H+ + 4.000H2O = Mn(OH)4-2
|
|
#-llnl_gamma 4.7
|
|
log_k -48.300 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/91PEA/BER 11891 EN ; Nagra TR 91-18 (mai 1992, Hatches 3.0) (provient de la base 0391 MINEQL- PSY)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.83E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 1.000Pyrophos-4 = Mn(Pyrophos)-2
|
|
#-llnl_gamma 4.7
|
|
log_k 6.000 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 1.000S2O3-2 = Mn(S2O3)
|
|
#-llnl_gamma 3.4
|
|
log_k 1.900 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 1.000SO4-2 = Mn(SO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.250 #95CHI
|
|
delta_h 14.100 #kJ/mol #95CHI
|
|
# Enthalpy of formation: -1116.04 #kJ/mol
|
|
-analytic 4.72021E+0 0E+0 -7.36493E+2 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 1.000Scn- = Mn(Scn)+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.400 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.4E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 1.000SeO4-2 = Mn(SeO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.430 #05OLI/NOL
|
|
delta_h -1.560 #kJ/mol
|
|
# Enthalpy of formation: -825.861 #kJ/mol
|
|
-analytic 2.1567E+0 0E+0 8.14844E+1 0E+0 0E+0
|
|
|
|
1.000Mn+2 - 1.000e- = Mn+3
|
|
#-llnl_gamma 8.2
|
|
log_k -25.510 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.551E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000Mn+2 - 1.000H+ + 1.000H2O = Mn2(OH)+3
|
|
#-llnl_gamma 8.2
|
|
log_k -10.100 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.01E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000Mn+2 - 3.000H+ + 3.000H2O = Mn2(OH)3+
|
|
#-llnl_gamma 4.1
|
|
log_k -24.900 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.49E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 1.000Br- = MnBr+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.130 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.3E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 1.000Cl- = MnCl+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.270
|
|
delta_h 18.516 #kJ/mol
|
|
# Enthalpy of formation: -369.364 #kJ/mol #97SVE/SHO
|
|
-analytic 3.51386E+0 0E+0 -9.67157E+2 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 2.000Cl- = MnCl2
|
|
#-llnl_gamma 3.4
|
|
log_k 0.250 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.5E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 3.000Cl- = MnCl3-
|
|
#-llnl_gamma 3.6
|
|
log_k -0.310 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.1E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 1.000F- = MnF+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.850 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.5E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 2.000F- = MnF2
|
|
#-llnl_gamma 3.4
|
|
log_k 9.040 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.04E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 3.000F- = MnF3-
|
|
#-llnl_gamma 3.6
|
|
log_k 11.640 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.164E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 4.000F- = MnF4-2
|
|
#-llnl_gamma 4.7
|
|
log_k 13.400 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 5.000F- = MnF5-3
|
|
#-llnl_gamma 6.7
|
|
log_k 14.700 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.47E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 6.000F- = MnF6-4
|
|
#-llnl_gamma 9.6
|
|
log_k 15.500 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.55E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 + 1.000I- = MnI+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.230 #92JOH/OEL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.3E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Mn+2 - 8.000H+ - 5.000e- + 4.000H2O = MnO4-
|
|
#-llnl_gamma 3.6
|
|
log_k -127.810
|
|
delta_h 822.710 #kJ/mol
|
|
# Enthalpy of formation: -541.41 #kJ/mol #92JOH/OEL
|
|
-analytic 1.63224E+1 0E+0 -4.29731E+4 0E+0 0E+0
|
|
|
|
1.000Mn+2 - 8.000H+ - 4.000e- + 4.000H2O = MnO4-2
|
|
#-llnl_gamma 4.7
|
|
log_k -118.430
|
|
delta_h 711.416 #kJ/mol
|
|
# Enthalpy of formation: -652.704 #kJ/mol #92JOH/OEL
|
|
-analytic 6.20455E+0 0E+0 -3.71598E+4 0E+0 0E+0
|
|
|
|
1.000Mn+2 - 8.000H+ - 3.000e- + 4.000H2O = MnO4-3
|
|
#-llnl_gamma 6.7
|
|
log_k -113.000 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.13E+2 0E+0 0E+0 0E+0 0E+0
|
|
|
|
8.000H+ + 3.000e- + 1.000MoO4-2 - 4.000H2O = Mo+3
|
|
#-llnl_gamma 8.2
|
|
log_k 21.760 #68SAS/SIL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.176E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
34.000H+ + 19.000MoO4-2 - 17.000H2O = Mo19O59-4
|
|
#-llnl_gamma 9.6
|
|
log_k 196.300 #68SAS/SIL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.963E+2 0E+0 0E+0 0E+0 0E+0
|
|
|
|
5.000H+ + 2.000MoO4-2 - 2.000H2O = Mo2O5(OH)+
|
|
#-llnl_gamma 4.1
|
|
log_k 19.000 #68SAS/SIL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.9E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
11.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O21(OH)3-3
|
|
#-llnl_gamma 6.7
|
|
log_k 66.480 #68SAS/SIL, 64AVE/ANA
|
|
delta_h -222.589 #kJ/mol #68ARN/SZI in 76BAE/MES
|
|
# Enthalpy of formation: -6058.269 #kJ/mol
|
|
-analytic 2.74841E+1 0E+0 1.16266E+4 0E+0 0E+0
|
|
|
|
10.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O22(OH)2-4
|
|
#-llnl_gamma 9.6
|
|
log_k 62.710 #68SAS/SIL, 64AVE/ANA
|
|
delta_h -220.079 #kJ/mol #68ARN/SZI in 76BAE/MES
|
|
# Enthalpy of formation: -6055.759 #kJ/mol
|
|
-analytic 2.41539E+1 0E+0 1.14955E+4 0E+0 0E+0
|
|
|
|
9.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O23(OH)-5
|
|
#-llnl_gamma 13.4
|
|
log_k 57.210 #68SAS/SIL, 64AVE/ANA
|
|
delta_h -223.426 #kJ/mol #68ARN/SZI in 76BAE/MES
|
|
# Enthalpy of formation: -6059.106 #kJ/mol
|
|
-analytic 1.80675E+1 0E+0 1.16703E+4 0E+0 0E+0
|
|
|
|
8.000H+ + 7.000MoO4-2 - 4.000H2O = Mo7O24-6
|
|
#-llnl_gamma 18.1
|
|
log_k 50.350 #68SAS/SIL, 64AVE/ANA
|
|
delta_h -234.304 #kJ/mol #68ARN/SZI in 76BAE/MES
|
|
# Enthalpy of formation: -6069.984 #kJ/mol
|
|
-analytic 9.30176E+0 0E+0 1.22385E+4 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000NH3 = NH4+
|
|
#-llnl_gamma 4.1
|
|
log_k 9.240
|
|
delta_h -52.090 #kJ/mol
|
|
# Enthalpy of formation: -133.26 #kJ/mol #92GRE/FUG
|
|
-analytic 1.14237E-1 0E+0 2.72085E+3 0E+0 0E+0
|
|
|
|
1.000Na+ + 1.000CO3-2 = Na(CO3)-
|
|
#-llnl_gamma 3.6
|
|
log_k 1.270 #90NOR/PLU
|
|
delta_h 37.279 #kJ/mol #90NOR/PLU
|
|
# Enthalpy of formation: -878.291 #kJ/mol
|
|
-analytic 7.80099E+0 0E+0 -1.94721E+3 0E+0 0E+0
|
|
|
|
1.000Na+ + 1.000Edta-4 = Na(Edta)-3
|
|
#-llnl_gamma 5.5
|
|
log_k 2.800 #05HUM/AND
|
|
delta_h -4.000 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -1949.14 #kJ/mol
|
|
-analytic 2.09923E+0 0E+0 2.08934E+2 0E+0 0E+0
|
|
|
|
1.000Na+ + 1.000H+ + 1.000CO3-2 = Na(HCO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 10.080 #90NOR/PLU
|
|
delta_h -26.127 #kJ/mol
|
|
# Enthalpy of formation: -941.697 #kJ/mol
|
|
-analytic 5.50275E+0 0E+0 1.36471E+3 0E+0 0E+0
|
|
|
|
1.000Na+ + 1.000H+ + 1.000Nta-3 = Na(HNta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 10.320 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.032E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Na+ - 1.000H+ + 1.000H2(PO4)- = Na(HPO4)-
|
|
#-llnl_gamma 3.6
|
|
log_k -6.340 #97MAR/SMI
|
|
delta_h 34.936 #kJ/mol #97MAR/SMI
|
|
# Enthalpy of formation: -1508.004 #kJ/mol
|
|
-analytic -2.19485E-1 0E+0 -1.82483E+3 0E+0 0E+0
|
|
|
|
1.000Na+ + 1.000IO3- = Na(IO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 0.060 #estimation NEA87 08/2/95
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6E-2 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Na+ + 1.000NO3- = Na(NO3)
|
|
#-llnl_gamma 3.4
|
|
log_k -0.400 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Na+ + 1.000Nta-3 = Na(Nta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 1.880 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.88E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Na+ - 1.000H+ + 1.000H2O = Na(OH)
|
|
#-llnl_gamma 3.4
|
|
log_k -14.750 #95pok/hel
|
|
delta_h 53.395 #kJ/mol
|
|
# Enthalpy of formation: -472.774 #kJ/mol
|
|
-analytic -5.39561E+0 0E+0 -2.78901E+3 0E+0 0E+0
|
|
|
|
1.000Na+ + 1.000S2O3-2 = Na(S2O3)-
|
|
#-llnl_gamma 3.6
|
|
log_k 0.610
|
|
delta_h 4.656 #kJ/mol
|
|
# Enthalpy of formation: -887.97 #kJ/mol #82WAG/EVA
|
|
-analytic 1.42569E+0 0E+0 -2.43199E+2 0E+0 0E+0
|
|
|
|
1.000Na+ + 1.000SO4-2 = Na(SO4)-
|
|
#-llnl_gamma 3.6
|
|
log_k 0.940 #99cap/hef
|
|
delta_h -2.810 #kJ/mol
|
|
# Enthalpy of formation: -1152.49 #kJ/mol
|
|
-analytic 4.4771E-1 0E+0 1.46776E+2 0E+0 0E+0
|
|
|
|
2.000Na+ + 1.000Pyrophos-4 = Na2(Pyrophos)-2
|
|
#-llnl_gamma 4.7
|
|
log_k 2.290 #76SMI/MAR
|
|
delta_h 5.858 #kJ/mol #76SMI/MAR
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.31628E+0 0E+0 -3.05984E+2 0E+0 0E+0
|
|
|
|
1.000Na+ + 1.000Al+3 - 4.000H+ + 4.000H2O = NaAl(OH)4
|
|
#-llnl_gamma 3.4
|
|
log_k -23.630
|
|
delta_h 190.348 #kJ/mol
|
|
# Enthalpy of formation: -1731.712 #kJ/mol #95POK/HEL
|
|
-analytic 9.71749E+0 0E+0 -9.94255E+3 0E+0 0E+0
|
|
|
|
1.000Na+ + 1.000B(OH)4- = NaB(OH)4
|
|
#-llnl_gamma 3.4
|
|
log_k -0.100
|
|
delta_h 1.226 #kJ/mol
|
|
# Enthalpy of formation: -1584.23 #kJ/mol
|
|
-analytic 1.14786E-1 0E+0 -6.40383E+1 0E+0 0E+0
|
|
|
|
1.000Na+ + 1.000Cl- = NaCl
|
|
#-llnl_gamma 3.4
|
|
log_k -0.500 #04smi/mar
|
|
delta_h 2.000 #kJ/mol #04SMI/MAR
|
|
# Enthalpy of formation: -405.42 #kJ/mol
|
|
-analytic -1.49616E-1 0E+0 -1.04467E+2 0E+0 0E+0
|
|
|
|
1.000Na+ + 1.000F- = NaF
|
|
#-llnl_gamma 3.4
|
|
log_k -0.450 #96BOU
|
|
delta_h -12.552 #kJ/mol #96BOU
|
|
# Enthalpy of formation: -588.242 #kJ/mol
|
|
-analytic -2.64901E+0 0E+0 6.55636E+2 0E+0 0E+0
|
|
|
|
1.000Na+ + 1.000H2(PO4)- = NaH2PO4
|
|
#-llnl_gamma 3.4
|
|
log_k 0.410 #97MAR/SMI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.1E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Na+ + 1.000I- = NaI
|
|
#-llnl_gamma 3.4
|
|
log_k -1.520
|
|
delta_h 7.252 #kJ/mol
|
|
# Enthalpy of formation: -289.868 #kJ/mol #92JOH/OEL
|
|
-analytic -2.49506E-1 0E+0 -3.78798E+2 0E+0 0E+0
|
|
|
|
1.000Na+ - 2.000H+ + 1.000H2(PO4)- = NaPO4-2
|
|
#-llnl_gamma 4.7
|
|
log_k -18.070 #97MAR/SMI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.807E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000H+ + 1.000Nb(OH)6- - 3.000H2O = Nb(OH)3+2
|
|
#-llnl_gamma 5.7
|
|
log_k 7.500 #97PEI/NGU
|
|
delta_h -10.230 #kJ/mol #97PEI/NGU
|
|
# Enthalpy of formation: -1078.405 #kJ/mol
|
|
-analytic 5.70778E+0 0E+0 5.34349E+2 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000Nb(OH)6- - 2.000H2O = Nb(OH)4+
|
|
#-llnl_gamma 4.1
|
|
log_k 6.640 #97PEI/NGU
|
|
delta_h -35.350 #kJ/mol #97PEI/NGU
|
|
# Enthalpy of formation: -1389.355 #kJ/mol
|
|
-analytic 4.46955E-1 0E+0 1.84646E+3 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Nb(OH)6- - 1.000H2O = Nb(OH)5
|
|
#-llnl_gamma 3.4
|
|
log_k 5.080 #97PEI/NGU
|
|
delta_h -13.390 #kJ/mol #97PEI/NGU
|
|
# Enthalpy of formation: -1653.225 #kJ/mol
|
|
-analytic 2.73418E+0 0E+0 6.99407E+2 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000Nb(OH)6- + 1.000H2O = Nb(OH)7-2
|
|
#-llnl_gamma 4.7
|
|
log_k -8.880 #97PEI/NGU
|
|
delta_h 10.170 #kJ/mol #97PEI/NGU
|
|
# Enthalpy of formation: -2201.325 #kJ/mol
|
|
-analytic -7.0983E+0 0E+0 -5.31215E+2 0E+0 0E+0
|
|
|
|
5.000H+ + 1.000Nb(OH)6- + 1.000Cit-3 - 4.000H2O = NbO2(H3Cit)+
|
|
#-llnl_gamma 5.5
|
|
log_k 25.640 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.564E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000H+ + 1.000Nb(OH)6- + 1.000Ox-2 - 4.000H2O = NbO2(HOx)
|
|
#-llnl_gamma 5.5
|
|
log_k 13.700 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.37E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
4.000H+ + 1.000Nb(OH)6- + 2.000Ox-2 - 4.000H2O = NbO2(HOx)2-
|
|
#-llnl_gamma 5.5
|
|
log_k 20.960 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.096E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000Nb(OH)6- + 1.000Ox-2 - 4.000H2O = NbO2(Ox)-
|
|
#-llnl_gamma 5.5
|
|
log_k 10.940 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.094E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000Acetate- = Ni(Acetate)+
|
|
#-llnl_gamma 5.5
|
|
log_k 1.340 #11RIC/GRI
|
|
delta_h -8.761 #kJ/mol
|
|
# Enthalpy of formation: -549.783 #kJ/mol
|
|
-analytic -1.94859E-1 0E+0 4.57618E+2 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000CO3-2 = Ni(CO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 4.200 #03BAE/BRA in 05GAM/BUG
|
|
delta_h 3.546 #kJ/mol
|
|
# Enthalpy of formation: -726.696 #kJ/mol
|
|
-analytic 4.82123E+0 0E+0 -1.8522E+2 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 2.000CO3-2 = Ni(CO3)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 6.200 #03BAE/BRA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.2E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000Cit-3 = Ni(Cit)-
|
|
#-llnl_gamma 5.5
|
|
log_k 6.760 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.76E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 2.000Cit-3 = Ni(Cit)2-4
|
|
#-llnl_gamma 5.5
|
|
log_k 8.500 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 4.000Cn- = Ni(Cn)4-2
|
|
#-llnl_gamma 4.7
|
|
log_k 30.200
|
|
delta_h -180.700 #kJ/mol #05GAM/BUG
|
|
# Enthalpy of formation: 353.688 #kJ/mol
|
|
-analytic -1.45723E+0 0E+0 9.4386E+3 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 5.000Cn- = Ni(Cn)5-3
|
|
#-llnl_gamma 6.7
|
|
log_k 28.500
|
|
delta_h -191.100 #kJ/mol #05GAM/BUG
|
|
# Enthalpy of formation: 490.638 #kJ/mol
|
|
-analytic -4.97923E+0 0E+0 9.98183E+3 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000Edta-4 = Ni(Edta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 20.540 #05HUM/AND
|
|
delta_h -26.100 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -1785.912 #kJ/mol
|
|
-analytic 1.59675E+1 0E+0 1.3633E+3 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 2.000H+ + 1.000Cit-3 = Ni(H2Cit)+
|
|
#-llnl_gamma 5.5
|
|
log_k 13.190 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.319E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000H+ + 1.000CO3-2 = Ni(HCO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 11.730 #03BAE/BRA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.173E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000H+ + 1.000Cit-3 = Ni(HCit)
|
|
#-llnl_gamma 5.5
|
|
log_k 10.520 #05HUM/BER
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.052E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000H+ + 1.000Edta-4 = Ni(HEdta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 24.200 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.42E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000HIsa- = Ni(HIsa)+
|
|
#-llnl_gamma 5.5
|
|
log_k 2.800 #12GRI/GAR2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 - 1.000H+ + 1.000H2(PO4)- = Ni(HPO4)
|
|
#-llnl_gamma 3.4
|
|
log_k -4.160 #05GAM/BUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.16E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 2.000HS- = Ni(HS)2
|
|
#-llnl_gamma 3.4
|
|
log_k 11.100 #02HUM/BER
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.11E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000Malonate-2 = Ni(Malonate)
|
|
#-llnl_gamma 5.5
|
|
log_k 4.390 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.39E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 2.000Malonate-2 = Ni(Malonate)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k 8.150 #98KHA/RAD
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.15E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000NH3 = Ni(NH3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.610 #70LET
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.61E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 2.000NH3 = Ni(NH3)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 4.760 #70LET
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.76E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 3.000NH3 = Ni(NH3)3+2
|
|
#-llnl_gamma 5.7
|
|
log_k 6.790 #70LET
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.79E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 4.000NH3 = Ni(NH3)4+2
|
|
#-llnl_gamma 5.7
|
|
log_k 8.340 #70LET
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.34E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000NO3- = Ni(NO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.500 #05GAM/BUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 2.000NO3- = Ni(NO3)2
|
|
#-llnl_gamma 3.4
|
|
log_k -0.600 #76SMI/MAR in 89BAE/McK
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000Nta-3 = Ni(Nta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 12.750 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.275E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 2.000Nta-3 = Ni(Nta)2-4
|
|
#-llnl_gamma 5.5
|
|
log_k 16.950 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.695E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Ni(OH)(Nta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 1.470 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.47E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 - 1.000H+ + 1.000H2O = Ni(OH)+
|
|
#-llnl_gamma 4.1
|
|
log_k -9.540 #05GAM/BUG
|
|
delta_h 53.800 #kJ/mol #05GAM/BUG
|
|
# Enthalpy of formation: -287.042 #kJ/mol
|
|
-analytic -1.14658E-1 0E+0 -2.81017E+3 0E+0 0E+0
|
|
|
|
1.000Ni+2 - 2.000H+ + 2.000H2O = Ni(OH)2
|
|
#-llnl_gamma 3.4
|
|
log_k -18.000 #49GAY/GAR reevaluated in 05GAM/BUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.8E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 - 3.000H+ + 1.000H2(PO4)- + 2.000H2O = Ni(OH)2(HPO4)-2
|
|
#-llnl_gamma 4.7
|
|
log_k -23.240 #95LEM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.324E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 - 3.000H+ + 1.000HIsa- + 3.000H2O = Ni(OH)3(HIsa)-2
|
|
#-llnl_gamma 5.5
|
|
log_k -26.500 #12GRI/GAR2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.65E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 - 3.000H+ + 3.000H2O = Ni(OH)3-
|
|
#-llnl_gamma 3.6
|
|
log_k -29.380 #49GAY/GAR reevaluated in 05GAM/BUG
|
|
delta_h 121.200 #kJ/mol #05GAM/BUG
|
|
# Enthalpy of formation: -791.302 #kJ/mol
|
|
-analytic -8.1467E+0 0E+0 -6.33071E+3 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000Ox-2 = Ni(Ox)
|
|
#-llnl_gamma 5.5
|
|
log_k 5.190 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -885.672 #kJ/mol
|
|
-analytic 5.19E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 2.000Ox-2 = Ni(Ox)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k 7.640 #05HUM/AND
|
|
delta_h -7.800 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -1724.132 #kJ/mol
|
|
-analytic 6.2735E+0 0E+0 4.07422E+2 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000Phthalat-2 = Ni(Phthalat)
|
|
#-llnl_gamma 5.5
|
|
log_k 3.000 #11GRI/COL3
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000Pyrophos-4 = Ni(Pyrophos)-2
|
|
#-llnl_gamma 4.7
|
|
log_k 8.730 #05GAM/BUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.73E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000S2O3-2 = Ni(S2O3)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.060 #51DEU/HEI in 64SIL/MAR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.06E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000SO4-2 = Ni(SO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.350 #05GAM/BUG
|
|
delta_h 5.660 #kJ/mol #05GAM/BUG
|
|
# Enthalpy of formation: -958.692 #kJ/mol
|
|
-analytic 3.34159E+0 0E+0 -2.95642E+2 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 2.000SO4-2 = Ni(SO4)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 3.010 #89BAE/McK
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.01E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000Scn- = Ni(Scn)+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.810
|
|
delta_h -11.800 #kJ/mol #05GAM/BUG
|
|
# Enthalpy of formation: 9.588 #kJ/mol
|
|
-analytic -2.57268E-1 0E+0 6.16356E+2 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 2.000Scn- = Ni(Scn)2
|
|
#-llnl_gamma 3.4
|
|
log_k 2.690
|
|
delta_h -21.000 #kJ/mol #05GAM/BUG
|
|
# Enthalpy of formation: 76.788 #kJ/mol
|
|
-analytic -9.89037E-1 0E+0 1.0969E+3 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 3.000Scn- = Ni(Scn)3-
|
|
#-llnl_gamma 3.6
|
|
log_k 3.020
|
|
delta_h -29.000 #kJ/mol #05GAM/BUG
|
|
# Enthalpy of formation: 145.188 #kJ/mol
|
|
-analytic -2.06057E+0 0E+0 1.51477E+3 0E+0 0E+0
|
|
|
|
1.000Ni+2 - 1.000H+ - 2.000e- + 1.000Cn- + 1.000HSe- = Ni(SeCn)+
|
|
#-llnl_gamma 4.1
|
|
log_k 14.800
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 - 2.000H+ - 4.000e- + 2.000Cn- + 2.000HSe- = Ni(SeCn)2
|
|
#-llnl_gamma 3.4
|
|
log_k 28.290
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.829E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000SeO4-2 = Ni(SeO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.670 #05OLI/NOL
|
|
delta_h -0.680 #kJ/mol
|
|
# Enthalpy of formation: -659.192 #kJ/mol
|
|
-analytic 2.55087E+0 0E+0 3.55188E+1 0E+0 0E+0
|
|
|
|
2.000Ni+2 - 1.000H+ + 1.000H2O = Ni2(OH)+3
|
|
#-llnl_gamma 8.2
|
|
log_k -10.600 #05GAM/BUG
|
|
delta_h 45.900 #kJ/mol #05GAM/BUG
|
|
# Enthalpy of formation: -349.954 #kJ/mol
|
|
-analytic -2.55868E+0 0E+0 -2.39752E+3 0E+0 0E+0
|
|
|
|
4.000Ni+2 - 4.000H+ + 4.000H2O = Ni4(OH)4+4
|
|
#-llnl_gamma 11.6
|
|
log_k -27.520 #05GAM/BUG
|
|
delta_h 190.000 #kJ/mol #05GAM/BUG
|
|
# Enthalpy of formation: -1173.368 #kJ/mol
|
|
-analytic 5.76652E+0 0E+0 -9.92438E+3 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000Cl- = NiCl+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.080 #05GAM/BUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8E-2 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000F- = NiF+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.430 #05GAM/BUG
|
|
delta_h 9.500 #kJ/mol #05GAM/BUG
|
|
# Enthalpy of formation: -380.862 #kJ/mol
|
|
-analytic 3.09433E+0 0E+0 -4.96219E+2 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000H+ + 1.000AsO4-3 = NiHAsO4
|
|
#-llnl_gamma 3.4
|
|
log_k 14.500
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.45E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000H+ + 1.000Pyrophos-4 = NiHPyrophos-
|
|
#-llnl_gamma 3.6
|
|
log_k 14.540 #05GAM/BUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.454E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ni+2 + 1.000HS- = NiHS+
|
|
#-llnl_gamma 4.1
|
|
log_k 5.500 #02HUM/BER
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 + 1.000Acetate- = Np(Acetate)+3
|
|
#-llnl_gamma 5.5
|
|
log_k 5.830 #12GRI/GAR2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.83E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 + 2.000Acetate- = Np(Acetate)2+2
|
|
#-llnl_gamma 5.5
|
|
log_k 10.000 #11RIC/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 - 3.000H+ + 1.000CO3-2 + 3.000H2O = Np(CO3)(OH)3-
|
|
#-llnl_gamma 3.6
|
|
log_k 3.820 #93ERI/NDA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.82E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+3 + 1.000CO3-2 = Np(CO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 7.670 #Estimated by correlation with An(III) in function of ionic radii
|
|
delta_h 156.368 #kJ/mol
|
|
# Enthalpy of formation: -1046.047 #kJ/mol
|
|
-analytic 3.50645E+1 0E+0 -8.16766E+3 0E+0 0E+0
|
|
|
|
1.000Np+3 + 2.000CO3-2 = Np(CO3)2-
|
|
#-llnl_gamma 3.6
|
|
log_k 12.600 #Estimated by correlation with An(III) in function of ionic radii
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.26E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+3 + 3.000CO3-2 = Np(CO3)3-3
|
|
#-llnl_gamma 6.7
|
|
log_k 15.660 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.566E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 + 4.000CO3-2 = Np(CO3)4-4
|
|
#-llnl_gamma 9.6
|
|
log_k 36.680 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.668E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 + 5.000CO3-2 = Np(CO3)5-6
|
|
#-llnl_gamma 18.1
|
|
log_k 35.610 #01LEM/FUG
|
|
delta_h -2.193 #kJ/mol
|
|
# Enthalpy of formation: -3934.366 #kJ/mol
|
|
-analytic 3.52258E+1 0E+0 1.14548E+2 0E+0 0E+0
|
|
|
|
1.000Np+4 + 1.000Edta-4 = Np(Edta)
|
|
#-llnl_gamma 5.5
|
|
log_k 31.200 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.12E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+3 + 1.000Edta-4 = Np(Edta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 19.900 #Recommended in 05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.99E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+3 - 2.000H+ + 2.000H2(PO4)- = Np(HPO4)2-
|
|
#-llnl_gamma 3.6
|
|
log_k -5.380 #Estimated by correlation with An(III) in function of ionic radii
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.38E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 + 1.000NO3- = Np(NO3)+3
|
|
#-llnl_gamma 8.2
|
|
log_k 1.900 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.9E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+3 + 1.000Nta-3 = Np(Nta)
|
|
#-llnl_gamma 5.5
|
|
log_k 13.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.3E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 + 1.000Nta-3 = Np(Nta)+
|
|
#-llnl_gamma 5.5
|
|
log_k 20.700 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.07E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 + 2.000Nta-3 = Np(Nta)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k 36.300 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.63E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+3 - 1.000H+ + 1.000H2O = Np(OH)+2
|
|
#-llnl_gamma 5.7
|
|
log_k -6.800 #01LEM/FUG
|
|
delta_h 77.089 #kJ/mol
|
|
# Enthalpy of formation: -735.925 #kJ/mol
|
|
-analytic 6.70539E+0 0E+0 -4.02663E+3 0E+0 0E+0
|
|
|
|
1.000Np+4 - 1.000H+ + 1.000H2O = Np(OH)+3
|
|
#-llnl_gamma 8.2
|
|
log_k 0.550 #03GUI/FAN
|
|
delta_h 37.594 #kJ/mol
|
|
# Enthalpy of formation: -804.258 #kJ/mol
|
|
-analytic 7.13618E+0 0E+0 -1.96367E+3 0E+0 0E+0
|
|
|
|
1.000Np+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Np(OH)2(CO3)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 15.170 #99RAI/HES2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.517E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+3 - 2.000H+ + 2.000H2O = Np(OH)2+
|
|
#-llnl_gamma 4.1
|
|
log_k -17.000 #80ALL/KIP
|
|
delta_h 155.528 #kJ/mol
|
|
# Enthalpy of formation: -943.315 #kJ/mol
|
|
-analytic 1.02473E+1 0E+0 -8.12378E+3 0E+0 0E+0
|
|
|
|
1.000Np+4 - 2.000H+ + 2.000H2O = Np(OH)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.350 #03GUI/FAN
|
|
delta_h 53.932 #kJ/mol
|
|
# Enthalpy of formation: -1073.749 #kJ/mol
|
|
-analytic 9.79847E+0 0E+0 -2.81706E+3 0E+0 0E+0
|
|
|
|
1.000Np+3 - 3.000H+ + 3.000H2O = Np(OH)3
|
|
#-llnl_gamma 3.4
|
|
log_k -27.000 #80ALL/KIP
|
|
delta_h 235.822 #kJ/mol
|
|
# Enthalpy of formation: -1148.851 #kJ/mol
|
|
-analytic 1.43142E+1 0E+0 -1.23178E+4 0E+0 0E+0
|
|
|
|
1.000Np+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Np(OH)3(HGlu)
|
|
#-llnl_gamma 5.5
|
|
log_k 3.270 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Np(OH)3(HIsa)
|
|
#-llnl_gamma 5.5
|
|
log_k 3.270 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Np(OH)3(HIsa)2-
|
|
#-llnl_gamma 5.5
|
|
log_k 5.380 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.38E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 - 3.000H+ + 3.000H2O = Np(OH)3+
|
|
#-llnl_gamma 4.1
|
|
log_k -2.800 #01NEC/KIM, 99NEC
|
|
delta_h 74.333 #kJ/mol
|
|
# Enthalpy of formation: -1339.178 #kJ/mol
|
|
-analytic 1.02226E+1 0E+0 -3.88268E+3 0E+0 0E+0
|
|
|
|
1.000Np+4 - 4.000H+ + 4.000H2O = Np(OH)4
|
|
#-llnl_gamma 3.4
|
|
log_k -8.300 #03GUI/FAN
|
|
delta_h 100.844 #kJ/mol
|
|
# Enthalpy of formation: -1598.497 #kJ/mol
|
|
-analytic 9.36708E+0 0E+0 -5.26744E+3 0E+0 0E+0
|
|
|
|
1.000Np+4 - 4.000H+ + 1.000CO3-2 + 4.000H2O = Np(OH)4(CO3)-2
|
|
#-llnl_gamma 4.7
|
|
log_k -6.830 #93ERI/NDA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.83E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Np(OH)4(HGlu)-
|
|
#-llnl_gamma 5.5
|
|
log_k -3.700 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.7E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Np(OH)4(HIsa)-
|
|
#-llnl_gamma 5.5
|
|
log_k -4.060 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.06E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Np(OH)4(HIsa)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k -2.200 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.2E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 + 1.000Ox-2 = Np(Ox)+2
|
|
#-llnl_gamma 5.5
|
|
log_k 11.160 #12GRI/GAR2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.116E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 + 2.000Ox-2 = Np(Ox)2
|
|
#-llnl_gamma 5.5
|
|
log_k 19.940 #12GRI/GAR2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.994E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 + 3.000Ox-2 = Np(Ox)3-2
|
|
#-llnl_gamma 5.5
|
|
log_k 25.190 #12GRI/GAR2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.519E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+3 - 4.000H+ + 2.000H2(PO4)- = Np(PO4)2-3
|
|
#-llnl_gamma 6.7
|
|
log_k -19.570 #Estimated by correlation with An(III) in function of ionic radii
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.957E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+3 + 1.000SO4-2 = Np(SO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 3.860 #Estimated by correlation with An(III) in function of ionic radii
|
|
delta_h 17.889 #kJ/mol
|
|
# Enthalpy of formation: -1418.634 #kJ/mol
|
|
-analytic 6.99401E+0 0E+0 -9.34406E+2 0E+0 0E+0
|
|
|
|
1.000Np+4 + 1.000SO4-2 = Np(SO4)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 6.850 #01LEM/FUG
|
|
delta_h 29.840 #kJ/mol #01LEM/FUG
|
|
# Enthalpy of formation: -1435.522 #kJ/mol
|
|
-analytic 1.20777E+1 0E+0 -1.55865E+3 0E+0 0E+0
|
|
|
|
1.000Np+4 + 2.000SO4-2 = Np(SO4)2
|
|
#-llnl_gamma 3.4
|
|
log_k 11.050 #01LEM/FUG
|
|
delta_h 55.380 #kJ/mol #01LEM/FUG
|
|
# Enthalpy of formation: -2319.322 #kJ/mol
|
|
-analytic 2.07521E+1 0E+0 -2.89269E+3 0E+0 0E+0
|
|
|
|
1.000Np+3 + 2.000SO4-2 = Np(SO4)2-
|
|
#-llnl_gamma 3.6
|
|
log_k 5.560 #Estimated by correlation with An(III) in function of ionic radii
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.56E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 + 1.000Br- = NpBr+3
|
|
#-llnl_gamma 8.2
|
|
log_k 1.550 #Estimated by correlation with An(IV) in function of ionic radii
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.55E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 + 1.000Cl- = NpCl+3
|
|
#-llnl_gamma 8.2
|
|
log_k 1.500 #01LEM/FUG
|
|
delta_h 23.576 #kJ/mol
|
|
# Enthalpy of formation: -699.526 #kJ/mol
|
|
-analytic 5.63033E+0 0E+0 -1.23146E+3 0E+0 0E+0
|
|
|
|
1.000Np+4 + 1.000F- = NpF+3
|
|
#-llnl_gamma 8.2
|
|
log_k 8.960 #01LEM/FUG
|
|
delta_h 1.500 #kJ/mol #01LEM/FUG
|
|
# Enthalpy of formation: -889.872 #kJ/mol
|
|
-analytic 9.22279E+0 0E+0 -7.83503E+1 0E+0 0E+0
|
|
|
|
1.000Np+4 + 2.000F- = NpF2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 15.700 #01LEM/FUG
|
|
delta_h 15.330 #kJ/mol
|
|
# Enthalpy of formation: -1211.391 #kJ/mol
|
|
-analytic 1.83857E+1 0E+0 -8.0074E+2 0E+0 0E+0
|
|
|
|
1.000Np+4 + 3.000F- = NpF3+
|
|
#-llnl_gamma 4.1
|
|
log_k 20.050 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.005E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 + 4.000F- = NpF4
|
|
#-llnl_gamma 3.4
|
|
log_k 25.950 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.595E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+3 - 1.000H+ + 1.000H2(PO4)- = NpHPO4+
|
|
#-llnl_gamma 4.1
|
|
log_k -1.780 #Estimated by correlation with An(III) in function of ionic radii
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.78E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+4 + 1.000I- = NpI+3
|
|
#-llnl_gamma 8.2
|
|
log_k 1.500 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+ + 1.000Acetate- = NpO2(Acetate)
|
|
#-llnl_gamma 5.5
|
|
log_k 1.320 #11RIC/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.32E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+ + 2.000Acetate- = NpO2(Acetate)2-
|
|
#-llnl_gamma 5.5
|
|
log_k 3.420 #09TAK/TAK
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.42E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+ + 3.000Acetate- = NpO2(Acetate)3-2
|
|
#-llnl_gamma 5.5
|
|
log_k 3.570 #09TAK/TAK
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.57E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+2 + 1.000CO3-2 = NpO2(CO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 9.320 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.32E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+2 - 2.000H+ + 1.000CO3-2 + 2.000H2O = NpO2(CO3)(OH)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k -7.690 #99CHO/BRO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -7.69E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+ + 1.000CO3-2 = NpO2(CO3)-
|
|
#-llnl_gamma 3.6
|
|
log_k 4.960 #01LEM/FUG
|
|
delta_h 59.912 #kJ/mol
|
|
# Enthalpy of formation: -1593.499 #kJ/mol
|
|
-analytic 1.54561E+1 0E+0 -3.12942E+3 0E+0 0E+0
|
|
|
|
1.000NpO2+2 + 2.000CO3-2 = NpO2(CO3)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 16.520 #01LEM/FUG
|
|
delta_h 13.750 #kJ/mol
|
|
# Enthalpy of formation: -2197.444 #kJ/mol
|
|
-analytic 1.89289E+1 0E+0 -7.18211E+2 0E+0 0E+0
|
|
|
|
1.000NpO2+ + 2.000CO3-2 = NpO2(CO3)2-3
|
|
#-llnl_gamma 6.7
|
|
log_k 6.530 #01LEM/FUG
|
|
delta_h 39.024 #kJ/mol
|
|
# Enthalpy of formation: -2289.617 #kJ/mol
|
|
-analytic 1.33667E+1 0E+0 -2.03836E+3 0E+0 0E+0
|
|
|
|
1.000NpO2+ - 1.000H+ + 2.000CO3-2 + 1.000H2O = NpO2(CO3)2OH-4
|
|
#-llnl_gamma 9.6
|
|
log_k -5.310 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.31E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+2 + 3.000CO3-2 = NpO2(CO3)3-4
|
|
#-llnl_gamma 9.6
|
|
log_k 19.370
|
|
delta_h -41.900 #kJ/mol
|
|
# Enthalpy of formation: -2928.323 #kJ/mol #01LEM/FUG
|
|
-analytic 1.20294E+1 0E+0 2.18859E+3 0E+0 0E+0
|
|
|
|
1.000NpO2+ + 3.000CO3-2 = NpO2(CO3)3-5
|
|
#-llnl_gamma 13.4
|
|
log_k 5.500
|
|
delta_h -13.249 #kJ/mol
|
|
# Enthalpy of formation: -3017.12 #kJ/mol #01LEM/FUG
|
|
-analytic 3.17888E+0 0E+0 6.92042E+2 0E+0 0E+0
|
|
|
|
1.000NpO2+ + 1.000Cit-3 = NpO2(Cit)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 3.680 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.68E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+ + 1.000Edta-4 = NpO2(Edta)-3
|
|
#-llnl_gamma 5.5
|
|
log_k 9.230 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.23E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+ + 2.000H+ + 1.000Edta-4 = NpO2(H2Edta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 22.510 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.251E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+ + 1.000H+ + 1.000Edta-4 = NpO2(HEdta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 17.060 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.706E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+ + 1.000H+ + 1.000Nta-3 = NpO2(HNta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 11.700 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.17E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+2 - 1.000H+ + 1.000H2(PO4)- = NpO2(HPO4)
|
|
#-llnl_gamma 3.4
|
|
log_k -1.010 #01LEM/FUG
|
|
delta_h 92.195 #kJ/mol
|
|
# Enthalpy of formation: -2071.137 #kJ/mol
|
|
-analytic 1.51418E+1 0E+0 -4.81567E+3 0E+0 0E+0
|
|
|
|
1.000NpO2+2 - 2.000H+ + 2.000H2(PO4)- = NpO2(HPO4)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k -4.920 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.92E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+2 + 1.000NO3- = NpO2(NO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.100 #12GRI/GAR2 in analogy to UO2(NO3)+
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+2 + 1.000Nta-3 = NpO2(Nta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 11.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+ + 1.000Nta-3 = NpO2(Nta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 7.460 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7.46E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+ - 1.000H+ + 1.000H2O = NpO2(OH)
|
|
#-llnl_gamma 3.4
|
|
log_k -11.300 #01LEM/FUG
|
|
delta_h 64.785 #kJ/mol
|
|
# Enthalpy of formation: -1199.226 #kJ/mol
|
|
-analytic 4.98281E-2 0E+0 -3.38395E+3 0E+0 0E+0
|
|
|
|
1.000NpO2+ - 1.000H+ + 1.000Nta-3 + 1.000H2O = NpO2(OH)(Nta)-3
|
|
#-llnl_gamma 5.5
|
|
log_k -4.700 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.7E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+2 - 1.000H+ + 1.000H2O = NpO2(OH)+
|
|
#-llnl_gamma 4.1
|
|
log_k -5.100 #01LEM/FUG
|
|
delta_h 42.956 #kJ/mol
|
|
# Enthalpy of formation: -1103.606 #kJ/mol
|
|
-analytic 2.42556E+0 0E+0 -2.24374E+3 0E+0 0E+0
|
|
|
|
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 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
|
|
|
|
1.000NpO2+ - 2.000H+ + 2.000H2O = NpO2(OH)2-
|
|
#-llnl_gamma 3.6
|
|
log_k -23.600 #01LEM/FUG
|
|
delta_h 118.610 #kJ/mol
|
|
# Enthalpy of formation: -1431.23 #kJ/mol
|
|
-analytic -2.82045E+0 0E+0 -6.19542E+3 0E+0 0E+0
|
|
|
|
1.000NpO2+ + 1.000Ox-2 = NpO2(Ox)-
|
|
#-llnl_gamma 5.5
|
|
log_k 3.900 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+ + 2.000Ox-2 = NpO2(Ox)2-3
|
|
#-llnl_gamma 5.5
|
|
log_k 5.800 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.8E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+2 + 1.000SO4-2 = NpO2(SO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 3.280 #01LEM/FUG
|
|
delta_h 16.700 #kJ/mol #01LEM/FUG
|
|
# Enthalpy of formation: -1753.373 #kJ/mol
|
|
-analytic 6.20571E+0 0E+0 -8.723E+2 0E+0 0E+0
|
|
|
|
1.000NpO2+ + 1.000SO4-2 = NpO2(SO4)-
|
|
#-llnl_gamma 3.6
|
|
log_k 0.440 #01LEM/FUG
|
|
delta_h 23.200 #kJ/mol #01LEM/FUG
|
|
# Enthalpy of formation: -1864.321 #kJ/mol
|
|
-analytic 4.50446E+0 0E+0 -1.21182E+3 0E+0 0E+0
|
|
|
|
1.000NpO2+2 + 2.000SO4-2 = NpO2(SO4)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 4.700 #01LEM/FUG
|
|
delta_h 26.000 #kJ/mol #01LEM/FUG
|
|
# Enthalpy of formation: -2653.413 #kJ/mol
|
|
-analytic 9.255E+0 0E+0 -1.35807E+3 0E+0 0E+0
|
|
|
|
1.000NpO2+ + 1.000Cl- = NpO2Cl
|
|
#-llnl_gamma 3.4
|
|
log_k -0.930 #94NEC/KIM
|
|
delta_h 25.971 #kJ/mol
|
|
# Enthalpy of formation: -1119.289 #kJ/mol
|
|
-analytic 3.61992E+0 0E+0 -1.35656E+3 0E+0 0E+0
|
|
|
|
1.000NpO2+2 + 1.000Cl- = NpO2Cl+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.400 #01LEM/FUG
|
|
delta_h 8.387 #kJ/mol
|
|
# Enthalpy of formation: -1019.426 #kJ/mol
|
|
-analytic 1.86934E+0 0E+0 -4.38083E+2 0E+0 0E+0
|
|
|
|
1.000NpO2+ + 1.000F- = NpO2F
|
|
#-llnl_gamma 3.4
|
|
log_k 1.200 #01LEM/FUG
|
|
delta_h 40.766 #kJ/mol
|
|
# Enthalpy of formation: -1272.764 #kJ/mol
|
|
-analytic 8.34189E+0 0E+0 -2.12935E+3 0E+0 0E+0
|
|
|
|
1.000NpO2+2 + 1.000F- = NpO2F+
|
|
#-llnl_gamma 4.1
|
|
log_k 4.570 #01LEM/FUG
|
|
delta_h 1.400 #kJ/mol
|
|
# Enthalpy of formation: -1194.682 #kJ/mol
|
|
-analytic 4.81527E+0 0E+0 -7.3127E+1 0E+0 0E+0
|
|
|
|
1.000NpO2+2 + 2.000F- = NpO2F2
|
|
#-llnl_gamma 3.4
|
|
log_k 7.600 #01LEM/FUG
|
|
delta_h 4.320 #kJ/mol
|
|
# Enthalpy of formation: -1527.113 #kJ/mol
|
|
-analytic 8.35683E+0 0E+0 -2.25649E+2 0E+0 0E+0
|
|
|
|
1.000NpO2+2 + 1.000H2(PO4)- = NpO2H2PO4+
|
|
#-llnl_gamma 4.1
|
|
log_k 3.320 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.32E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NpO2+ - 1.000H+ + 1.000H2(PO4)- = NpO2HPO4-
|
|
#-llnl_gamma 3.6
|
|
log_k -4.260 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.26E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Np+3 - 2.000H+ + 1.000H2(PO4)- = NpPO4
|
|
#-llnl_gamma 3.4
|
|
log_k -7.830 #Estimated by correlation with An(III) in function of ionic radii
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -7.83E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000H2O = OH-
|
|
#-llnl_gamma 3.6
|
|
log_k -14.000
|
|
delta_h 55.815 #kJ/mol
|
|
# Enthalpy of formation: -230.015 #kJ/mol #89COX/WAG
|
|
-analytic -4.22165E+0 0E+0 -2.91542E+3 0E+0 0E+0
|
|
|
|
- 2.000H+ + 1.000H2(PO4)- = PO4-3
|
|
#-llnl_gamma 6.7
|
|
log_k -19.560 #89COX/WAG
|
|
delta_h 18.200 #kJ/mol
|
|
# Enthalpy of formation: -1284.4 #kJ/mol #89COX/WAG
|
|
-analytic -1.63715E+1 0E+0 -9.50651E+2 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000Pa+4 + 1.000H2O = Pa(OH)+3
|
|
#-llnl_gamma 8.2
|
|
log_k 0.840 #76BAE/MES
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.4E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 2.000H+ + 1.000Pa+4 + 2.000H2O = Pa(OH)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k -0.020 #76BAE/MES
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2E-2 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 3.000H+ + 1.000Pa+4 + 3.000H2O = Pa(OH)3+
|
|
#-llnl_gamma 4.1
|
|
log_k -1.500 #76BAE/MES
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000PaO2+ = PaO(OH)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 1.250 #Original data 03TRU/LEN and 04FOU/PER
|
|
delta_h -5.700 #kJ/mol #03TRU/LEN
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.51404E-1 0E+0 2.97731E+2 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 5.130 #07GIA/TRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.13E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000H+ + 2.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)2-
|
|
#-llnl_gamma 3.6
|
|
log_k 8.240 #07GIA/TRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.24E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000H+ + 3.000SO4-2 + 1.000PaO2+ - 1.000H2O = PaO(SO4)3-3
|
|
#-llnl_gamma 6.7
|
|
log_k 9.830 #07GIA/TRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.83E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000PaO2+ + 1.000H2O = PaO2(OH)
|
|
#-llnl_gamma 3.4
|
|
log_k -7.000 #Original data 03TRU/LEN and 04FOU/PER
|
|
delta_h 61.000 #kJ/mol #03TRU/LEN
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.68673E+0 0E+0 -3.18625E+3 0E+0 0E+0
|
|
|
|
- 2.000H+ + 1.000PaO2+ + 2.000H2O = PaO2(OH)2-
|
|
#-llnl_gamma 3.6
|
|
log_k -16.400 #04FOU/PER
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.64E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 1.000B(OH)4- = Pb(B(OH)4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 5.200 #80BAS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.2E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 3.000B(OH)4- = Pb(B(OH)4)3-
|
|
#-llnl_gamma 3.6
|
|
log_k 11.180 #80BAS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.118E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 1.000CO3-2 = Pb(CO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 7.000 #06BLA/PIA
|
|
delta_h -3.015 #kJ/mol
|
|
# Enthalpy of formation: -677.326 #kJ/mol
|
|
-analytic 6.4718E+0 0E+0 1.57484E+2 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 2.000CO3-2 = Pb(CO3)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 10.130 #99LOT/OCH
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.013E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 1.000H2(PO4)- = Pb(H2PO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.500 #74NRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 2.000HS- = Pb(HS)2
|
|
#-llnl_gamma 3.4
|
|
log_k 15.010 #06BLA/PIA
|
|
delta_h -65.579 #kJ/mol
|
|
# Enthalpy of formation: -97.259 #kJ/mol
|
|
-analytic 3.52107E+0 0E+0 3.42542E+3 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 3.000HS- = Pb(HS)3-
|
|
#-llnl_gamma 3.6
|
|
log_k 16.260 #06BLA/PIA
|
|
delta_h -73.329 #kJ/mol
|
|
# Enthalpy of formation: -121.309 #kJ/mol
|
|
-analytic 3.41333E+0 0E+0 3.83023E+3 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 1.000NO3- = Pb(NO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.060 #99LOT/OCH
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.06E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 2.000NO3- = Pb(NO3)2
|
|
#-llnl_gamma 3.4
|
|
log_k 1.480 #99LOT/OCH
|
|
delta_h -11.012 #kJ/mol
|
|
# Enthalpy of formation: -423.792 #kJ/mol
|
|
-analytic -4.49217E-1 0E+0 5.75196E+2 0E+0 0E+0
|
|
|
|
1.000Pb+2 - 1.000H+ + 1.000H2O = Pb(OH)+
|
|
#-llnl_gamma 4.1
|
|
log_k -7.510 #99LOT/OCH
|
|
delta_h 53.920 #kJ/mol
|
|
# Enthalpy of formation: -230.99 #kJ/mol
|
|
-analytic 1.93636E+0 0E+0 -2.81643E+3 0E+0 0E+0
|
|
|
|
1.000Pb+2 - 2.000H+ + 2.000H2O = Pb(OH)2
|
|
#-llnl_gamma 3.4
|
|
log_k -16.950 #99LOT/OCH
|
|
delta_h 97.824 #kJ/mol
|
|
# Enthalpy of formation: -472.915 #kJ/mol
|
|
-analytic 1.88004E-1 0E+0 -5.1097E+3 0E+0 0E+0
|
|
|
|
1.000Pb+2 - 3.000H+ + 3.000H2O = Pb(OH)3-
|
|
#-llnl_gamma 3.6
|
|
log_k -27.200 #01PER/HEF
|
|
delta_h 130.485 #kJ/mol
|
|
# Enthalpy of formation: -726.085 #kJ/mol
|
|
-analytic -4.34004E+0 0E+0 -6.8157E+3 0E+0 0E+0
|
|
|
|
1.000Pb+2 - 4.000H+ + 4.000H2O = Pb(OH)4-2
|
|
#-llnl_gamma 4.7
|
|
log_k -38.900 #01PER/HEF
|
|
delta_h 197.474 #kJ/mol
|
|
# Enthalpy of formation: -944.925 #kJ/mol
|
|
-analytic -4.30409E+0 0E+0 -1.03148E+4 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 1.000SO4-2 = Pb(SO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.820 #99LOT/OCH
|
|
delta_h 6.861 #kJ/mol
|
|
# Enthalpy of formation: -901.559 #kJ/mol
|
|
-analytic 4.02199E+0 0E+0 -3.58374E+2 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 2.000SO4-2 = Pb(SO4)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 3.470 #97MAR/SMI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.47E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 1.000SeO3-2 = Pb(SeO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 5.730 #01SEB/POT2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.73E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000Pb+2 - 1.000H+ + 1.000H2O = Pb2(OH)+3
|
|
#-llnl_gamma 8.2
|
|
log_k -7.180 #99LOT/OCH
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -7.18E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
4.000Pb+2 - 4.000H+ + 4.000H2O = Pb4(OH)4+4
|
|
#-llnl_gamma 11.6
|
|
log_k -20.630 #99LOT/OCH
|
|
delta_h 82.038 #kJ/mol
|
|
# Enthalpy of formation: -1057.601 #kJ/mol
|
|
-analytic -6.25758E+0 0E+0 -4.28514E+3 0E+0 0E+0
|
|
|
|
6.000Pb+2 - 8.000H+ + 8.000H2O = Pb6(OH)8+4
|
|
#-llnl_gamma 11.6
|
|
log_k -42.680 #99LOT/OCH
|
|
delta_h 192.157 #kJ/mol
|
|
# Enthalpy of formation: -2088.961 #kJ/mol
|
|
-analytic -9.01559E+0 0E+0 -1.0037E+4 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 1.000Br- = PbBr+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.700 #82HÖG
|
|
delta_h 4.220 #kJ/mol
|
|
# Enthalpy of formation: -116.27 #kJ/mol
|
|
-analytic 2.43931E+0 0E+0 -2.20426E+2 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 2.000Br- = PbBr2
|
|
#-llnl_gamma 3.4
|
|
log_k 1.900 #82HÖG
|
|
delta_h 10.979 #kJ/mol
|
|
# Enthalpy of formation: -230.92 #kJ/mol
|
|
-analytic 3.82344E+0 0E+0 -5.73472E+2 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 3.000Br- = PbBr3-
|
|
#-llnl_gamma 3.6
|
|
log_k 2.900 #82HÖG
|
|
delta_h 10.653 #kJ/mol
|
|
# Enthalpy of formation: -352.656 #kJ/mol
|
|
-analytic 4.76632E+0 0E+0 -5.56444E+2 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 1.000Cl- = PbCl+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.440 #97SVE/SHO
|
|
delta_h 4.318 #kJ/mol
|
|
# Enthalpy of formation: -161.841 #kJ/mol
|
|
-analytic 2.19648E+0 0E+0 -2.25545E+2 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 2.000Cl- = PbCl2
|
|
#-llnl_gamma 3.4
|
|
log_k 2.000 #97SVE/SHO
|
|
delta_h 7.948 #kJ/mol
|
|
# Enthalpy of formation: -325.291 #kJ/mol
|
|
-analytic 3.39243E+0 0E+0 -4.15152E+2 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 3.000Cl- = PbCl3-
|
|
#-llnl_gamma 3.6
|
|
log_k 1.690 #97SVE/SHO
|
|
delta_h 7.812 #kJ/mol
|
|
# Enthalpy of formation: -492.507 #kJ/mol
|
|
-analytic 3.0586E+0 0E+0 -4.08049E+2 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 4.000Cl- = PbCl4-2
|
|
#-llnl_gamma 4.7
|
|
log_k 1.400 #97SVE/SHO
|
|
delta_h 1.324 #kJ/mol
|
|
# Enthalpy of formation: -666.074 #kJ/mol
|
|
-analytic 1.63195E+0 0E+0 -6.91572E+1 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 1.000F- = PbF+
|
|
#-llnl_gamma 4.1
|
|
log_k 2.270 #99LOT/OCH
|
|
delta_h -4.054 #kJ/mol
|
|
# Enthalpy of formation: -338.484 #kJ/mol
|
|
-analytic 1.55977E+0 0E+0 2.11755E+2 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 2.000F- = PbF2
|
|
#-llnl_gamma 3.4
|
|
log_k 3.010 #99LOT/OCH
|
|
delta_h -8.879 #kJ/mol
|
|
# Enthalpy of formation: -678.659 #kJ/mol
|
|
-analytic 1.45447E+0 0E+0 4.63782E+2 0E+0 0E+0
|
|
|
|
1.000Pb+2 - 1.000H+ + 1.000H2(PO4)- = PbHPO4
|
|
#-llnl_gamma 3.4
|
|
log_k -4.110 #74NRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.11E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 1.000I- = PbI+
|
|
#-llnl_gamma 4.1
|
|
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
|
|
#-llnl_gamma 3.4
|
|
log_k 3.150 #82HÖG
|
|
delta_h 7.106 #kJ/mol
|
|
# Enthalpy of formation: -105.533 #kJ/mol
|
|
-analytic 4.39492E+0 0E+0 -3.71172E+2 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 3.000I- = PbI3-
|
|
#-llnl_gamma 3.6
|
|
log_k 3.810 #82HÖG
|
|
delta_h 3.163 #kJ/mol
|
|
# Enthalpy of formation: -166.256 #kJ/mol
|
|
-analytic 4.36413E+0 0E+0 -1.65215E+2 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 4.000I- = PbI4-2
|
|
#-llnl_gamma 4.7
|
|
log_k 3.750 #82HÖG
|
|
delta_h -15.561 #kJ/mol
|
|
# Enthalpy of formation: -241.76 #kJ/mol
|
|
-analytic 1.02383E+0 0E+0 8.12806E+2 0E+0 0E+0
|
|
|
|
1.000Pb+2 + 1.000Pyrophos-4 = PbPyrophos-2
|
|
#-llnl_gamma 4.7
|
|
log_k 8.330 #82WAG/EVA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.33E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 1.000CO3-2 = Pd(CO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 6.830 #87BRO/WAN
|
|
delta_h -8.843 #kJ/mol
|
|
# Enthalpy of formation: -494.184 #kJ/mol
|
|
-analytic 5.28078E+0 0E+0 4.61901E+2 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 2.000CO3-2 = Pd(CO3)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 12.530 #87BRO/WAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.253E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 1.000NH3 = Pd(NH3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 9.600 #68RAS/JOR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.6E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 2.000NH3 = Pd(NH3)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 18.500 #68RAS/JOR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.85E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 3.000NH3 = Pd(NH3)3+2
|
|
#-llnl_gamma 5.7
|
|
log_k 26.000 #68RAS/JOR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.6E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 4.000NH3 = Pd(NH3)4+2
|
|
#-llnl_gamma 5.7
|
|
log_k 32.800 #68RAS/JOR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.28E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000Pd+2 + 1.000H2O = Pd(OH)+
|
|
#-llnl_gamma 4.1
|
|
log_k -1.860 #70NAB/KAL
|
|
delta_h 11.908 #kJ/mol
|
|
# Enthalpy of formation: -84.032 #kJ/mol
|
|
-analytic 2.26189E-1 0E+0 -6.21997E+2 0E+0 0E+0
|
|
|
|
- 2.000H+ + 1.000Pd+2 + 2.000H2O = Pd(OH)2
|
|
#-llnl_gamma 3.4
|
|
log_k -3.790 #70NAB/KAL
|
|
delta_h 15.288 #kJ/mol
|
|
# Enthalpy of formation: -366.482 #kJ/mol
|
|
-analytic -1.11166E+0 0E+0 -7.98547E+2 0E+0 0E+0
|
|
|
|
- 3.000H+ + 1.000Pd+2 + 3.000H2O = Pd(OH)3-
|
|
#-llnl_gamma 3.6
|
|
log_k -15.930 #70NAB/KAL
|
|
delta_h 54.858 #kJ/mol
|
|
# Enthalpy of formation: -612.742 #kJ/mol
|
|
-analytic -6.31931E+0 0E+0 -2.86543E+3 0E+0 0E+0
|
|
|
|
- 4.000H+ + 1.000Pd+2 + 4.000H2O = Pd(OH)4-2
|
|
#-llnl_gamma 4.7
|
|
log_k -29.360 #70NAB/KAL
|
|
delta_h 118.558 #kJ/mol
|
|
# Enthalpy of formation: -834.872 #kJ/mol
|
|
-analytic -8.58956E+0 0E+0 -6.19271E+3 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 1.000SO4-2 = Pd(SO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.910 #87BRO/WAN
|
|
delta_h 4.588 #kJ/mol
|
|
# Enthalpy of formation: -714.862 #kJ/mol
|
|
-analytic 3.71378E+0 0E+0 -2.39648E+2 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 2.000SO4-2 = Pd(SO4)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 4.170 #82HOG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.17E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 1.000Br- = PdBr+
|
|
#-llnl_gamma 4.1
|
|
log_k 5.770 #72ELD
|
|
delta_h -30.145 #kJ/mol
|
|
# Enthalpy of formation: 38.334 #kJ/mol
|
|
-analytic 4.8883E-1 0E+0 1.57458E+3 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 2.000Br- = PdBr2
|
|
#-llnl_gamma 3.4
|
|
log_k 10.060 #72ELD
|
|
delta_h -57.714 #kJ/mol
|
|
# Enthalpy of formation: -110.644 #kJ/mol
|
|
-analytic -5.10439E-2 0E+0 3.01461E+3 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 3.000Br- = PdBr3-
|
|
#-llnl_gamma 3.6
|
|
log_k 13.750 #72ELD
|
|
delta_h -92.390 #kJ/mol
|
|
# Enthalpy of formation: -266.73 #kJ/mol
|
|
-analytic -2.43601E+0 0E+0 4.82586E+3 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 4.000Br- = PdBr4-2
|
|
#-llnl_gamma 4.7
|
|
log_k 15.110 #72ELD
|
|
delta_h -126.688 #kJ/mol
|
|
# Enthalpy of formation: -422.437 #kJ/mol
|
|
-analytic -7.08475E+0 0E+0 6.61737E+3 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 1.000Cl- = PdCl+
|
|
#-llnl_gamma 4.1
|
|
log_k 5.100 #99LOT/OCH
|
|
delta_h -24.525 #kJ/mol
|
|
# Enthalpy of formation: -1.715 #kJ/mol
|
|
-analytic 8.03411E-1 0E+0 1.28103E+3 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 2.000Cl- = PdCl2
|
|
#-llnl_gamma 3.4
|
|
log_k 8.300 #99LOT/OCH
|
|
delta_h -47.352 #kJ/mol
|
|
# Enthalpy of formation: -191.622 #kJ/mol
|
|
-analytic 4.29787E-3 0E+0 2.47336E+3 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000Pd+2 + 3.000Cl- + 1.000H2O = PdCl3(OH)-2
|
|
#-llnl_gamma 4.7
|
|
log_k 2.310 #00BYR/YAO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.31E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 3.000Cl- = PdCl3-
|
|
#-llnl_gamma 3.6
|
|
log_k 10.900 #99LOT/OCH
|
|
delta_h -77.577 #kJ/mol
|
|
# Enthalpy of formation: -388.927 #kJ/mol
|
|
-analytic -2.69089E+0 0E+0 4.05212E+3 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 4.000Cl- = PdCl4-2
|
|
#-llnl_gamma 4.7
|
|
log_k 11.700 #99LOT/OCH
|
|
delta_h -112.475 #kJ/mol
|
|
# Enthalpy of formation: -590.904 #kJ/mol
|
|
-analytic -8.00475E+0 0E+0 5.87497E+3 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 1.000I- = PdI+
|
|
#-llnl_gamma 4.1
|
|
log_k 10.400 #89BAE/McK
|
|
delta_h -58.206 #kJ/mol
|
|
# Enthalpy of formation: 74.903 #kJ/mol
|
|
-analytic 2.02761E-1 0E+0 3.04031E+3 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 2.000I- = PdI2
|
|
#-llnl_gamma 3.4
|
|
log_k 14.500 #97BOU
|
|
delta_h -83.425 #kJ/mol
|
|
# Enthalpy of formation: -7.096 #kJ/mol
|
|
-analytic -1.15411E-1 0E+0 4.35758E+3 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 3.000I- = PdI3-
|
|
#-llnl_gamma 3.6
|
|
log_k 18.600 #97BOU
|
|
delta_h -121.755 #kJ/mol
|
|
# Enthalpy of formation: -102.205 #kJ/mol
|
|
-analytic -2.73053E+0 0E+0 6.3597E+3 0E+0 0E+0
|
|
|
|
1.000Pd+2 + 4.000I- = PdI4-2
|
|
#-llnl_gamma 4.7
|
|
log_k 24.640
|
|
delta_h -190.061 #kJ/mol
|
|
# Enthalpy of formation: -227.291 #kJ/mol
|
|
-analytic -8.65721E+0 0E+0 9.92756E+3 0E+0 0E+0
|
|
|
|
1.000Pu+3 + 1.000Acetate- = Pu(Acetate)+2
|
|
#-llnl_gamma 5.5
|
|
log_k 2.850 #69MOS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.85E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 1.000Acetate- = Pu(Acetate)+3
|
|
#-llnl_gamma 5.5
|
|
log_k 5.930 #62SCH/NEB
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+3 + 2.000Acetate- = Pu(Acetate)2+
|
|
#-llnl_gamma 5.5
|
|
log_k 5.060 #69MOS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.06E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 2.000Acetate- = Pu(Acetate)2+2
|
|
#-llnl_gamma 5.5
|
|
log_k 10.090 #62SCH/NEB
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.009E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+3 + 3.000Acetate- = Pu(Acetate)3
|
|
#-llnl_gamma 5.5
|
|
log_k 6.570 #69MOS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.57E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+3 + 1.000CO3-2 = Pu(CO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 7.640 #Estimated by correlation with An(III) in function of ionic radii
|
|
delta_h 152.752 #kJ/mol
|
|
# Enthalpy of formation: -1114.268 #kJ/mol
|
|
-analytic 3.4401E+1 0E+0 -7.97878E+3 0E+0 0E+0
|
|
|
|
1.000Pu+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Pu(CO3)2(OH)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 16.760 #99RAI/HES1
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.676E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+3 + 2.000CO3-2 = Pu(CO3)2-
|
|
#-llnl_gamma 3.6
|
|
log_k 12.540 #Estimated by correlation with An(III) in function of ionic radii
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.254E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+3 + 3.000CO3-2 = Pu(CO3)3-3
|
|
#-llnl_gamma 6.7
|
|
log_k 16.400 #Estimated by correlation with An(III) in function of ionic radii
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.64E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 4.000CO3-2 = Pu(CO3)4-4
|
|
#-llnl_gamma 9.6
|
|
log_k 37.000 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.7E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 5.000CO3-2 = Pu(CO3)5-6
|
|
#-llnl_gamma 18.1
|
|
log_k 35.650 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.565E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 1.000Edta-4 = Pu(Edta)
|
|
#-llnl_gamma 5.5
|
|
log_k 31.800 #Recommended in 05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.18E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+3 + 1.000Edta-4 = Pu(Edta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 20.180 #05HUM/AND
|
|
delta_h -8.700 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -2305.29 #kJ/mol
|
|
-analytic 1.86558E+1 0E+0 4.54432E+2 0E+0 0E+0
|
|
|
|
1.000Pu+3 + 1.000H2(PO4)- = Pu(H2PO4)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.200 #10RAI/MOO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.2E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+3 + 1.000H+ + 1.000Edta-4 = Pu(HEdta)
|
|
#-llnl_gamma 5.5
|
|
log_k 22.020 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.202E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+3 - 1.000H+ + 1.000H2(PO4)- = Pu(HPO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k -1.820 #Estimated by correlation with An(III) in function of ionic radii
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.82E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+3 - 2.000H+ + 2.000H2(PO4)- = Pu(HPO4)2-
|
|
#-llnl_gamma 3.6
|
|
log_k -5.460 #Estimated by correlation with An(III) in function of ionic radii
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.46E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+3 + 1.000NO3- = Pu(NO3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 1.330 #95SIL/BID, LogK selected in analogy to Am (NEA recommendation 95SIL/BID)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 1.000NO3- = Pu(NO3)+3
|
|
#-llnl_gamma 8.2
|
|
log_k 1.950 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.95E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+3 + 1.000Nta-3 = Pu(Nta)
|
|
#-llnl_gamma 5.5
|
|
log_k 13.100 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.31E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 1.000Nta-3 = Pu(Nta)+
|
|
#-llnl_gamma 5.5
|
|
log_k 21.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.1E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+3 - 1.000H+ + 1.000H2O = Pu(OH)+2
|
|
#-llnl_gamma 5.7
|
|
log_k -6.900 #01LEM/FUG
|
|
delta_h 78.273 #kJ/mol
|
|
# Enthalpy of formation: -799.347 #kJ/mol
|
|
-analytic 6.81282E+0 0E+0 -4.08848E+3 0E+0 0E+0
|
|
|
|
1.000Pu+4 - 1.000H+ + 1.000H2O = Pu(OH)+3
|
|
#-llnl_gamma 8.2
|
|
log_k 0.600 #99NEC, 01NEC/KIM, 03GUI/FAN
|
|
delta_h 36.000 #kJ/mol #01LEM/FUG
|
|
# Enthalpy of formation: -789.725 #kJ/mol
|
|
-analytic 6.90692E+0 0E+0 -1.88041E+3 0E+0 0E+0
|
|
|
|
1.000Pu+3 - 2.000H+ + 2.000H2O = Pu(OH)2+
|
|
#-llnl_gamma 4.1
|
|
log_k -15.900 #80ALL/KIP
|
|
delta_h 150.341 #kJ/mol
|
|
# Enthalpy of formation: -1013.109 #kJ/mol
|
|
-analytic 1.04386E+1 0E+0 -7.85285E+3 0E+0 0E+0
|
|
|
|
1.000Pu+4 - 2.000H+ + 2.000H2O = Pu(OH)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.600 #99NEC, 01NEC/KIM, 03GUI/FAN
|
|
delta_h 49.567 #kJ/mol
|
|
# Enthalpy of formation: -1061.987 #kJ/mol
|
|
-analytic 9.28375E+0 0E+0 -2.58906E+3 0E+0 0E+0
|
|
|
|
1.000Pu+3 - 3.000H+ + 3.000H2O = Pu(OH)3
|
|
#-llnl_gamma 3.4
|
|
log_k -25.300 #80ALL/KIP
|
|
delta_h 227.538 #kJ/mol
|
|
# Enthalpy of formation: -1221.741 #kJ/mol
|
|
-analytic 1.45629E+1 0E+0 -1.18851E+4 0E+0 0E+0
|
|
|
|
1.000Pu+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Pu(OH)3(HGlu)
|
|
#-llnl_gamma 5.5
|
|
log_k 4.750 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.75E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Pu(OH)3(HIsa)
|
|
#-llnl_gamma 5.5
|
|
log_k 4.750 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.75E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Pu(OH)3(HIsa)2-
|
|
#-llnl_gamma 5.5
|
|
log_k 6.860 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.86E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+4 - 3.000H+ + 3.000H2O = Pu(OH)3+
|
|
#-llnl_gamma 4.1
|
|
log_k -2.300 #99NEC, 01NEC/KIM, 03GUI/FAN
|
|
delta_h 68.542 #kJ/mol
|
|
# Enthalpy of formation: -1328.842 #kJ/mol
|
|
-analytic 9.70803E+0 0E+0 -3.58019E+3 0E+0 0E+0
|
|
|
|
1.000Pu+4 - 4.000H+ + 4.000H2O = Pu(OH)4
|
|
#-llnl_gamma 3.4
|
|
log_k -8.500 #03GUI/FAN
|
|
delta_h 99.048 #kJ/mol
|
|
# Enthalpy of formation: -1584.166 #kJ/mol
|
|
-analytic 8.85244E+0 0E+0 -5.17363E+3 0E+0 0E+0
|
|
|
|
1.000Pu+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Pu(OH)4(HGlu)-
|
|
#-llnl_gamma 5.5
|
|
log_k -2.700 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.7E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Pu(OH)4(HIsa)-
|
|
#-llnl_gamma 5.5
|
|
log_k -3.600 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.6E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Pu(OH)4(HIsa)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k 0.700 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 1.000Ox-2 = Pu(Ox)+2
|
|
#-llnl_gamma 5.5
|
|
log_k 11.400 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.14E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 2.000Ox-2 = Pu(Ox)2
|
|
#-llnl_gamma 5.5
|
|
log_k 20.600 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.06E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+3 + 2.000Ox-2 = Pu(Ox)2-
|
|
#-llnl_gamma 5.5
|
|
log_k 10.620 #12GRI/GAR2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.062E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 3.000Ox-2 = Pu(Ox)3-2
|
|
#-llnl_gamma 5.5
|
|
log_k 25.690 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.569E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+3 + 3.000Ox-2 = Pu(Ox)3-3
|
|
#-llnl_gamma 5.5
|
|
log_k 13.220 #12GRI/GAR2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.322E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+3 - 4.000H+ + 2.000H2(PO4)- = Pu(PO4)2-3
|
|
#-llnl_gamma 6.7
|
|
log_k -19.730 #Estimated by correlation with An(III) in function of ionic radii
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.973E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+3 + 1.000SO4-2 = Pu(SO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 3.910 #01LEM/FUG
|
|
delta_h 17.240 #kJ/mol #01LEM/FUG
|
|
# Enthalpy of formation: -1483.89 #kJ/mol
|
|
-analytic 6.93031E+0 0E+0 -9.00507E+2 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 1.000SO4-2 = Pu(SO4)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 6.890 #01LEM/FUG
|
|
delta_h 13.754 #kJ/mol
|
|
# Enthalpy of formation: -1435.481 #kJ/mol
|
|
-analytic 9.29959E+0 0E+0 -7.1842E+2 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 2.000SO4-2 = Pu(SO4)2
|
|
#-llnl_gamma 3.4
|
|
log_k 11.140 #01LEM/FUG
|
|
delta_h 43.907 #kJ/mol
|
|
# Enthalpy of formation: -2314.667 #kJ/mol
|
|
-analytic 1.88322E+1 0E+0 -2.29342E+3 0E+0 0E+0
|
|
|
|
1.000Pu+3 + 2.000SO4-2 = Pu(SO4)2-
|
|
#-llnl_gamma 3.6
|
|
log_k 5.700 #01LEM/FUG
|
|
delta_h 11.880 #kJ/mol #01LEM/FUG
|
|
# Enthalpy of formation: -2398.59 #kJ/mol
|
|
-analytic 7.78128E+0 0E+0 -6.20535E+2 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 1.000Br- = PuBr+3
|
|
#-llnl_gamma 8.2
|
|
log_k 1.600 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.6E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 1.000Cl- = PuCl+3
|
|
#-llnl_gamma 8.2
|
|
log_k 1.800 #01LEM/FUG
|
|
delta_h 19.820 #kJ/mol
|
|
# Enthalpy of formation: -687.155 #kJ/mol
|
|
-analytic 5.27231E+0 0E+0 -1.03527E+3 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 1.000F- = PuF+3
|
|
#-llnl_gamma 8.2
|
|
log_k 8.840 #01LEM/FUG
|
|
delta_h 9.100 #kJ/mol #01LEM/FUG
|
|
# Enthalpy of formation: -866.145 #kJ/mol
|
|
-analytic 1.04342E+1 0E+0 -4.75325E+2 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 2.000F- = PuF2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 15.700 #01LEM/FUG
|
|
delta_h 11.000 #kJ/mol #01LEM/FUG
|
|
# Enthalpy of formation: -1199.595 #kJ/mol
|
|
-analytic 1.76271E+1 0E+0 -5.74569E+2 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 3.000F- = PuF3+
|
|
#-llnl_gamma 4.1
|
|
log_k 20.110 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.011E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 1.000H+ + 1.000H2(PO4)- = PuH3PO4+4
|
|
#-llnl_gamma 11.6
|
|
log_k 4.540 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.54E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+3 + 1.000I- = PuI+2
|
|
#-llnl_gamma 5.7
|
|
log_k 1.100 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.1E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+4 + 1.000I- = PuI+3
|
|
#-llnl_gamma 8.2
|
|
log_k 1.620 #ANDRA report (C RP 0ENQ 02-001,Estimated by correlation with An(IV) in function of ionic radii)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.62E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000PuO2+2 + 1.000Acetate- = PuO2(Acetate)+
|
|
#-llnl_gamma 5.5
|
|
log_k 2.870 #11RIC/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.87E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000PuO2+2 + 2.000Acetate- = PuO2(Acetate)2
|
|
#-llnl_gamma 5.5
|
|
log_k 4.770 #11RIC/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.77E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000PuO2+2 + 3.000Acetate- = PuO2(Acetate)3-
|
|
#-llnl_gamma 5.5
|
|
log_k 6.190 #11RIC/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.19E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000PuO2+2 + 1.000CO3-2 = PuO2(CO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 9.500 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000PuO2+2 + 2.000CO3-2 = PuO2(CO3)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 14.700 #03GUI/FAN
|
|
delta_h -27.000 #kJ/mol #03GUI/FAN
|
|
# Enthalpy of formation: -2199.496 #kJ/mol
|
|
-analytic 9.96981E+0 0E+0 1.41031E+3 0E+0 0E+0
|
|
|
|
1.000PuO2+2 + 3.000CO3-2 = PuO2(CO3)3-4
|
|
#-llnl_gamma 9.6
|
|
log_k 18.000 #03GUI/FAN
|
|
delta_h -38.600 #kJ/mol #03GUI/FAN
|
|
# Enthalpy of formation: -2886.326 #kJ/mol
|
|
-analytic 1.12376E+1 0E+0 2.01622E+3 0E+0 0E+0
|
|
|
|
1.000PuO2+ + 3.000CO3-2 = PuO2(CO3)3-5
|
|
#-llnl_gamma 13.4
|
|
log_k 5.030
|
|
delta_h -19.110 #kJ/mol #01LEM/FUG
|
|
# Enthalpy of formation: -2954.927 #kJ/mol
|
|
-analytic 1.68208E+0 0E+0 9.98183E+2 0E+0 0E+0
|
|
|
|
2.000UO2+2 + 1.000PuO2+2 + 6.000CO3-2 = PuO2(CO3)6(UO2)2-6
|
|
#-llnl_gamma 18.1
|
|
log_k 53.480 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.348E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000PuO2+ - 1.000H+ + 1.000H2(PO4)- = PuO2(HPO4)-
|
|
#-llnl_gamma 3.6
|
|
log_k -4.860 #NEA Guidelines in 01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.86E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000PuO2+2 + 1.000Nta-3 = PuO2(Nta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 11.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000PuO2+ + 1.000Nta-3 = PuO2(Nta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 7.500 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000PuO2+2 - 1.000H+ + 1.000H2O = PuO2(OH)+
|
|
#-llnl_gamma 4.1
|
|
log_k -5.500 #01LEM/FUG
|
|
delta_h 28.000 #kJ/mol #01LEM/FUG
|
|
# Enthalpy of formation: -1079.866 #kJ/mol
|
|
-analytic -5.94618E-1 0E+0 -1.46254E+3 0E+0 0E+0
|
|
|
|
1.000PuO2+2 - 2.000H+ + 2.000H2O = PuO2(OH)2
|
|
#-llnl_gamma 3.4
|
|
log_k -13.200 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.32E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000PuO2+2 - 1.000H+ + 1.000H4(SiO4) = PuO2(OSi(OH)3)+
|
|
#-llnl_gamma 4.1
|
|
log_k -3.640 #03YUS/FED
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.64E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000PuO2+2 + 1.000Ox-2 = PuO2(Ox)
|
|
#-llnl_gamma 5.5
|
|
log_k 7.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000PuO2+2 + 2.000Ox-2 = PuO2(Ox)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k 10.500 #73POR/DEP in 95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.05E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000PuO2+2 + 1.000Phthalat-2 = PuO2(Phthalat)
|
|
#-llnl_gamma 5.5
|
|
log_k 5.760 #11GRI/COL3
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.76E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000PuO2+2 + 1.000SO4-2 = PuO2(SO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 3.380 #01LEM/FUG
|
|
delta_h 16.100 #kJ/mol #01LEM/FUG
|
|
# Enthalpy of formation: -1715.276 #kJ/mol
|
|
-analytic 6.20059E+0 0E+0 -8.4096E+2 0E+0 0E+0
|
|
|
|
1.000PuO2+ + 1.000SO4-2 = PuO2(SO4)-
|
|
#-llnl_gamma 3.6
|
|
log_k 0.440 #Duro et al. (2006), In analogy to NpO2(SO4)-
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.4E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000PuO2+2 + 2.000SO4-2 = PuO2(SO4)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 4.400 #01LEM/FUG
|
|
delta_h 43.000 #kJ/mol #01LEM/FUG
|
|
# Enthalpy of formation: -2597.716 #kJ/mol
|
|
-analytic 1.19333E+1 0E+0 -2.24604E+3 0E+0 0E+0
|
|
|
|
1.000PuO2+ + 1.000CO3-2 = PuO2CO3-
|
|
#-llnl_gamma 3.6
|
|
log_k 5.120 #01LEM/FUG
|
|
delta_h 44.871 #kJ/mol
|
|
# Enthalpy of formation: -1540.486 #kJ/mol
|
|
-analytic 1.29811E+1 0E+0 -2.34377E+3 0E+0 0E+0
|
|
|
|
1.000PuO2+2 + 1.000Cl- = PuO2Cl+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.230 #03GUI/FAN
|
|
delta_h 4.187 #kJ/mol
|
|
# Enthalpy of formation: -984.929 #kJ/mol
|
|
-analytic 9.6353E-1 0E+0 -2.18702E+2 0E+0 0E+0
|
|
|
|
1.000PuO2+2 + 2.000Cl- = PuO2Cl2
|
|
#-llnl_gamma 3.4
|
|
log_k -1.150 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.15E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000PuO2+ + 1.000F- = PuO2F
|
|
#-llnl_gamma 3.4
|
|
log_k 1.200 #In analogy to NpO2)F
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.2E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000PuO2+2 + 1.000F- = PuO2F+
|
|
#-llnl_gamma 4.1
|
|
log_k 4.560 #01LEM/FUG
|
|
delta_h -3.654 #kJ/mol
|
|
# Enthalpy of formation: -1161.039 #kJ/mol
|
|
-analytic 3.91985E+0 0E+0 1.90861E+2 0E+0 0E+0
|
|
|
|
1.000PuO2+2 + 2.000F- = PuO2F2
|
|
#-llnl_gamma 3.4
|
|
log_k 7.250 #01LEM/FUG
|
|
delta_h 1.206 #kJ/mol
|
|
# Enthalpy of formation: -1491.529 #kJ/mol
|
|
-analytic 7.46128E+0 0E+0 -6.29937E+1 0E+0 0E+0
|
|
|
|
1.000PuO2+2 + 3.000F- = PuO2F3-
|
|
#-llnl_gamma 3.6
|
|
log_k 9.590 #85SAW/CHA
|
|
delta_h 2.399 #kJ/mol
|
|
# Enthalpy of formation: -1825.686 #kJ/mol
|
|
-analytic 1.00103E+1 0E+0 -1.25308E+2 0E+0 0E+0
|
|
|
|
1.000PuO2+2 + 1.000NO3- = PuO2NO3+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.100 #12GRI/GAR1 (LogK selected in analogy to U (NEA recommendation), logK(UO2NO3 +))
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000PuO2+ - 1.000H+ + 1.000H2O = PuO2OH
|
|
#-llnl_gamma 3.4
|
|
log_k -11.300 #01LEM/FUG
|
|
delta_h 71.826 #kJ/mol
|
|
# Enthalpy of formation: -1124.131 #kJ/mol
|
|
-analytic 1.28336E+0 0E+0 -3.75173E+3 0E+0 0E+0
|
|
|
|
1.000Pu+3 + 1.000Ox-2 = PuOx+
|
|
#-llnl_gamma 5.5
|
|
log_k 6.490 #12GRI/GAR2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.49E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Pu+3 - 2.000H+ + 1.000H2(PO4)- = PuPO4
|
|
#-llnl_gamma 3.4
|
|
log_k -7.920 #Estimated by correlation with An(III) in function of ionic radii
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -7.92E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Ra+2 + 1.000CO3-2 = Ra(CO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.500 #99SCH
|
|
delta_h 4.496 #kJ/mol
|
|
# Enthalpy of formation: -1198.76 #kJ/mol
|
|
-analytic 3.28766E+0 0E+0 -2.34842E+2 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Ra+2 + 1.000CO3-2 = Ra(HCO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 10.920 #02ILE/TWE
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.092E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000Ra+2 + 1.000H2O = Ra(OH)+
|
|
#-llnl_gamma 4.1
|
|
log_k -13.490
|
|
delta_h 60.417 #kJ/mol #85LAN/RIE
|
|
# Enthalpy of formation: -753.438 #kJ/mol
|
|
-analytic -2.90541E+0 0E+0 -3.1558E+3 0E+0 0E+0
|
|
|
|
- 2.000H+ + 1.000Ra+2 + 2.000H2O = Ra(OH)2
|
|
#-llnl_gamma 3.4
|
|
log_k -28.070
|
|
delta_h 112.197 #kJ/mol
|
|
# Enthalpy of formation: -987.488 #kJ/mol
|
|
-analytic -8.41396E+0 0E+0 -5.86045E+3 0E+0 0E+0
|
|
|
|
1.000Ra+2 + 1.000SO4-2 = Ra(SO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.760
|
|
delta_h 5.472 #kJ/mol
|
|
# Enthalpy of formation: -1431.892 #kJ/mol
|
|
-analytic 3.71865E+0 0E+0 -2.85822E+2 0E+0 0E+0
|
|
|
|
1.000Ra+2 + 1.000Cl- = RaCl+
|
|
#-llnl_gamma 4.1
|
|
log_k -0.100 #85LAN/RIE
|
|
delta_h 2.479 #kJ/mol
|
|
# Enthalpy of formation: -692.626 #kJ/mol
|
|
-analytic 3.34302E-1 0E+0 -1.29487E+2 0E+0 0E+0
|
|
|
|
1.000Ra+2 + 2.000Cl- = RaCl2
|
|
#-llnl_gamma 3.4
|
|
log_k -0.100
|
|
delta_h 0.495 #kJ/mol
|
|
# Enthalpy of formation: -861.689 #kJ/mol
|
|
-analytic -1.32798E-2 0E+0 -2.58556E+1 0E+0 0E+0
|
|
|
|
1.000Ra+2 + 1.000F- = RaF+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.480 #87BRO/WAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.8E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Br- + 1.000Rb+ = RbBr
|
|
#-llnl_gamma 3.4
|
|
log_k -1.240
|
|
delta_h 13.836 #kJ/mol
|
|
# Enthalpy of formation: -358.694 #kJ/mol #97SVE/SHO
|
|
-analytic 1.18396E+0 0E+0 -7.22704E+2 0E+0 0E+0
|
|
|
|
1.000Cl- + 1.000Rb+ = RbCl
|
|
#-llnl_gamma 3.4
|
|
log_k -1.010
|
|
delta_h 13.189 #kJ/mol
|
|
# Enthalpy of formation: -405.011 #kJ/mol #97SVE/SHO
|
|
-analytic 1.30061E+0 0E+0 -6.88908E+2 0E+0 0E+0
|
|
|
|
1.000F- + 1.000Rb+ = RbF
|
|
#-llnl_gamma 3.4
|
|
log_k 0.940
|
|
delta_h 1.923 #kJ/mol
|
|
# Enthalpy of formation: -584.547 #kJ/mol #97SVE/SHO
|
|
-analytic 1.27689E+0 0E+0 -1.00445E+2 0E+0 0E+0
|
|
|
|
1.000I- + 1.000Rb+ = RbI
|
|
#-llnl_gamma 3.4
|
|
log_k -0.840
|
|
delta_h 6.987 #kJ/mol
|
|
# Enthalpy of formation: -300.913 #kJ/mol #97SVE/SHO
|
|
-analytic 3.84068E-1 0E+0 -3.64956E+2 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000Rb+ + 1.000H2O = RbOH
|
|
#-llnl_gamma 3.4
|
|
log_k -14.260
|
|
delta_h 64.158 #kJ/mol
|
|
# Enthalpy of formation: -472.792 #kJ/mol #97SHO/SAS2
|
|
-analytic -3.02002E+0 0E+0 -3.3512E+3 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000HS- = S-2
|
|
#-llnl_gamma 4.7
|
|
log_k -17.100 #04CHI
|
|
delta_h 73.278 #kJ/mol
|
|
# Enthalpy of formation: 56.978 #kJ/mol
|
|
-analytic -4.26226E+0 0E+0 -3.82757E+3 0E+0 0E+0
|
|
|
|
- 2.000H+ - 2.000e- + 2.000HS- = S2-2
|
|
#-llnl_gamma 4.7
|
|
log_k -10.540
|
|
delta_h 67.640 #kJ/mol
|
|
# Enthalpy of formation: 35.04 #kJ/mol #04CHI
|
|
-analytic 1.31E+0 0E+0 -3.53308E+3 0E+0 0E+0
|
|
|
|
2.000H+ + 2.000SO3-2 - 1.000H2O = S2O5-2
|
|
#-llnl_gamma 4.7
|
|
log_k 12.850 #85GOL/PAR
|
|
delta_h 2.606 #kJ/mol
|
|
# Enthalpy of formation: -973.684 #kJ/mol
|
|
-analytic 1.33066E+1 0E+0 -1.36121E+2 0E+0 0E+0
|
|
|
|
- 2.000e- + 2.000SO4-2 = S2O8-2
|
|
#-llnl_gamma 4.7
|
|
log_k -65.380
|
|
delta_h 473.980 #kJ/mol
|
|
# Enthalpy of formation: -1344.7 #kJ/mol #82WAG/EVA
|
|
-analytic 1.76576E+1 0E+0 -2.47577E+4 0E+0 0E+0
|
|
|
|
- 3.000H+ - 4.000e- + 3.000HS- = S3-2
|
|
#-llnl_gamma 4.7
|
|
log_k -6.510
|
|
delta_h 74.840 #kJ/mol
|
|
# Enthalpy of formation: 25.94 #kJ/mol #74NAU/RYZ
|
|
-analytic 6.60139E+0 0E+0 -3.90916E+3 0E+0 0E+0
|
|
|
|
6.000H+ + 2.000e- + 3.000SO3-2 - 3.000H2O = S3O6-2
|
|
#-llnl_gamma 4.7
|
|
log_k 36.820
|
|
delta_h -131.646 #kJ/mol
|
|
# Enthalpy of formation: -1167.336 #kJ/mol #04CHI
|
|
-analytic 1.37566E+1 0E+0 6.87634E+3 0E+0 0E+0
|
|
|
|
- 4.000H+ - 6.000e- + 4.000HS- = S4-2
|
|
#-llnl_gamma 4.7
|
|
log_k -3.580
|
|
delta_h 88.210 #kJ/mol
|
|
# Enthalpy of formation: 23.01 #kJ/mol #74NAU/RYZ
|
|
-analytic 1.18737E+1 0E+0 -4.60752E+3 0E+0 0E+0
|
|
|
|
12.000H+ + 6.000e- + 4.000SO3-2 - 6.000H2O = S4O6-2
|
|
#-llnl_gamma 4.7
|
|
log_k 90.800
|
|
delta_h -414.978 #kJ/mol
|
|
# Enthalpy of formation: -1224.238 #kJ/mol #04CHI
|
|
-analytic 1.80991E+1 0E+0 2.16758E+4 0E+0 0E+0
|
|
|
|
- 5.000H+ - 8.000e- + 5.000HS- = S5-2
|
|
#-llnl_gamma 4.7
|
|
log_k -0.870
|
|
delta_h 102.840 #kJ/mol
|
|
# Enthalpy of formation: 21.34 #kJ/mol #74NAU/RYZ
|
|
-analytic 1.71468E+1 0E+0 -5.3717E+3 0E+0 0E+0
|
|
|
|
18.000H+ + 10.000e- + 5.000SO3-2 - 9.000H2O = S5O6-2
|
|
#-llnl_gamma 4.7
|
|
log_k 115.390
|
|
delta_h -592.874 #kJ/mol
|
|
# Enthalpy of formation: -1175.704 #kJ/mol #04CHI
|
|
-analytic 1.15231E+1 0E+0 3.09679E+4 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000SO3-2 - 1.000H2O = SO2
|
|
#-llnl_gamma 3.4
|
|
log_k 9.030
|
|
delta_h 21.450 #kJ/mol
|
|
# Enthalpy of formation: -323.78 #kJ/mol #85GOL/PAR
|
|
-analytic 1.27879E+1 0E+0 -1.12041E+3 0E+0 0E+0
|
|
|
|
2.000H+ + 1.000Sb(OH)3 - 2.000H2O = Sb(OH)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.740 #99LOT/OCH
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7.4E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Sb(OH)3 - 1.000H2O = Sb(OH)2+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.330 #77ANT/NEV and others recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000H+ + 1.000Sb(OH)5 - 1.000H2O = Sb(OH)4+
|
|
#-llnl_gamma 4.1
|
|
log_k -3.260 #57PIT/POU in 99LOT/OCH
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.26E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000Sb(OH)3 + 1.000H2O = Sb(OH)4-
|
|
#-llnl_gamma 3.6
|
|
log_k -11.820 #52GAY/GAR recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.182E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000Sb(OH)5 + 1.000H2O = Sb(OH)6-
|
|
#-llnl_gamma 3.6
|
|
log_k -2.720 #63LEF/MAR in 76BAE/MES
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.72E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000H+ + 1.000Sb(OH)3 - 3.000H2O = Sb+3
|
|
#-llnl_gamma 8.2
|
|
log_k -0.730 #99LOT/OCH
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -7.3E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 4.000H+ + 12.000Sb(OH)5 + 4.000H2O = Sb12(OH)64-4
|
|
#-llnl_gamma 9.6
|
|
log_k 20.340 #63LEF/MAR in 76BAE/MES
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.034E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 5.000H+ + 12.000Sb(OH)5 + 5.000H2O = Sb12(OH)65-5
|
|
#-llnl_gamma 13.4
|
|
log_k 16.720 #63LEF/MAR in 76BAE/MES
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.672E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 6.000H+ + 12.000Sb(OH)5 + 6.000H2O = Sb12(OH)66-6
|
|
#-llnl_gamma 18.1
|
|
log_k 11.890 #63LEF/MAR in 76BAE/MES
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.189E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 7.000H+ + 12.000Sb(OH)5 + 7.000H2O = Sb12(OH)67-7
|
|
#-llnl_gamma 23.7
|
|
log_k 6.070 #63LEF/MAR in 76BAE/MES
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.07E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
4.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2H2S4
|
|
#-llnl_gamma 3.4
|
|
log_k 57.810 #88KRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.781E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2HS4-
|
|
#-llnl_gamma 3.6
|
|
log_k 52.900 #88KRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.29E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000H+ + 4.000HS- + 2.000Sb(OH)3 - 6.000H2O = Sb2S4-2
|
|
#-llnl_gamma 4.7
|
|
log_k 43.380 #88KRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.338E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000H+ + 1.000Cl- + 1.000Sb(OH)3 - 3.000H2O = SbCl+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.800 #70BON/WAU and others recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000H+ + 2.000Cl- + 1.000Sb(OH)3 - 3.000H2O = SbCl2+
|
|
#-llnl_gamma 4.1
|
|
log_k 3.270 #70BON/WAU and others recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.27E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000H+ + 1.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF+2
|
|
#-llnl_gamma 5.7
|
|
log_k 6.370 #70BON recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.37E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000H+ + 2.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF2+
|
|
#-llnl_gamma 4.1
|
|
log_k 12.420 #70BON recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.242E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
3.000H+ + 3.000F- + 1.000Sb(OH)3 - 3.000H2O = SbF3
|
|
#-llnl_gamma 3.4
|
|
log_k 18.200 #70BON recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.82E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000HSe- = Se-2
|
|
#-llnl_gamma 4.7
|
|
log_k -14.910
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.491E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 2.000H+ - 2.000e- + 2.000HSe- = Se2-2
|
|
#-llnl_gamma 4.7
|
|
log_k -4.500 #05OLI/NOL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 3.000H+ - 4.000e- + 3.000HSe- = Se3-2
|
|
#-llnl_gamma 4.7
|
|
log_k 5.240 #05OLI/NOL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.24E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 4.000H+ - 6.000e- + 4.000HSe- = Se4-2
|
|
#-llnl_gamma 4.7
|
|
log_k 13.380 #05OLI/NOL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.338E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ - 2.000e- + 1.000Cn- + 1.000HSe- = SeCn-
|
|
#-llnl_gamma 3.6
|
|
log_k 13.030
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.303E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 2.000H4(SiO4) - 1.000H2O = Si2O2(OH)5-
|
|
#-llnl_gamma 3.6
|
|
log_k -8.500 #01FEL/CHO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -8.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 2.000H+ + 2.000H4(SiO4) - 1.000H2O = Si2O3(OH)4-2
|
|
#-llnl_gamma 4.7
|
|
log_k -19.400 #01FEL/CHO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.94E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 3.000H+ + 3.000H4(SiO4) - 2.000H2O = Si3O5(OH)5-3
|
|
#-llnl_gamma 6.7
|
|
log_k -29.400 #01FEL/CHO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.94E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 3.000H+ + 3.000H4(SiO4) - 3.000H2O = Si3O6(OH)3-3
|
|
#-llnl_gamma 6.7
|
|
log_k -29.300 #01FEL/CHO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.93E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 2.000H+ + 4.000H4(SiO4) - 4.000H2O = Si4O6(OH)6-2
|
|
#-llnl_gamma 4.7
|
|
log_k -15.600 #01FEL/CHO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.56E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 4.000H+ + 4.000H4(SiO4) - 3.000H2O = Si4O7(OH)6-4
|
|
#-llnl_gamma 9.6
|
|
log_k -39.100 #01FEL/CHO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.91E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 4.000H+ + 4.000H4(SiO4) - 4.000H2O = Si4O8(OH)4-4
|
|
#-llnl_gamma 9.6
|
|
log_k -39.200 #01FEL/CHO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.92E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 6.000H+ + 6.000H4(SiO4) - 9.000H2O = Si6O15-6
|
|
#-llnl_gamma 18.1
|
|
log_k -61.800 #01FEL/CHO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.18E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sm+3 + 1.000CO3-2 = Sm(CO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 7.800 #95SPA/BRU
|
|
delta_h 163.378 #kJ/mol
|
|
# Enthalpy of formation: -1203.051 #kJ/mol
|
|
-analytic 3.64226E+1 0E+0 -8.53381E+3 0E+0 0E+0
|
|
|
|
1.000Sm+3 + 2.000CO3-2 = Sm(CO3)2-
|
|
#-llnl_gamma 3.6
|
|
log_k 12.800 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.28E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sm+3 + 3.000CO3-2 = Sm(CO3)3-3
|
|
#-llnl_gamma 6.7
|
|
log_k 14.800 #05VER/VIT2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.48E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sm+3 + 1.000H2(PO4)- = Sm(H2PO4)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.350 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.35E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sm+3 + 1.000H+ + 1.000CO3-2 = Sm(HCO3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 12.430 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.243E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sm+3 - 1.000H+ + 1.000H2(PO4)- = Sm(HPO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k -1.610 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.61E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sm+3 - 2.000H+ + 2.000H2(PO4)- = Sm(HPO4)2-
|
|
#-llnl_gamma 3.6
|
|
log_k -5.020 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.02E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sm+3 + 1.000NO3- = Sm(NO3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.900 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sm+3 - 1.000H+ + 1.000H2O = Sm(OH)+2
|
|
#-llnl_gamma 5.7
|
|
log_k -7.900 #95SPA/BRU
|
|
delta_h 81.312 #kJ/mol
|
|
# Enthalpy of formation: -895.716 #kJ/mol
|
|
-analytic 6.34523E+0 0E+0 -4.24722E+3 0E+0 0E+0
|
|
|
|
1.000Sm+3 - 2.000H+ + 2.000H2O = Sm(OH)2+
|
|
#-llnl_gamma 4.1
|
|
log_k -15.700 #07NEC/ALT2
|
|
delta_h 145.706 #kJ/mol
|
|
# Enthalpy of formation: -1117.151 #kJ/mol
|
|
-analytic 9.82656E+0 0E+0 -7.61074E+3 0E+0 0E+0
|
|
|
|
1.000Sm+3 - 3.000H+ + 3.000H2O = Sm(OH)3
|
|
#-llnl_gamma 3.4
|
|
log_k -26.200 #07NEC/ALT2
|
|
delta_h 228.404 #kJ/mol
|
|
# Enthalpy of formation: -1320.283 #kJ/mol
|
|
-analytic 1.38146E+1 0E+0 -1.19304E+4 0E+0 0E+0
|
|
|
|
1.000Sm+3 - 4.000H+ + 4.000H2O = Sm(OH)4-
|
|
#-llnl_gamma 3.6
|
|
log_k -40.700 #07NEC/ALT2
|
|
delta_h 298.603 #kJ/mol
|
|
# Enthalpy of formation: -1535.914 #kJ/mol
|
|
-analytic 1.16129E+1 0E+0 -1.55971E+4 0E+0 0E+0
|
|
|
|
1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- = Sm(PO4)
|
|
#-llnl_gamma 3.4
|
|
log_k -7.460 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -7.46E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sm+3 - 4.000H+ + 2.000H2(PO4)- = Sm(PO4)2-3
|
|
#-llnl_gamma 6.7
|
|
log_k -18.720 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.872E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sm+3 + 1.000SO4-2 = Sm(SO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 3.500 #95SPA/BRU
|
|
delta_h 16.584 #kJ/mol
|
|
# Enthalpy of formation: -1583.954 #kJ/mol
|
|
-analytic 6.40539E+0 0E+0 -8.66241E+2 0E+0 0E+0
|
|
|
|
1.000Sm+3 + 2.000SO4-2 = Sm(SO4)2-
|
|
#-llnl_gamma 3.6
|
|
log_k 5.200 #95SPA/BRU
|
|
delta_h 24.918 #kJ/mol
|
|
# Enthalpy of formation: -2484.959 #kJ/mol
|
|
-analytic 9.56544E+0 0E+0 -1.30156E+3 0E+0 0E+0
|
|
|
|
1.000Sm+3 + 1.000Br- = SmBr+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.230 #96FAL/REA
|
|
delta_h 17.023 #kJ/mol
|
|
# Enthalpy of formation: -795.584 #kJ/mol
|
|
-analytic 3.2123E+0 0E+0 -8.89172E+2 0E+0 0E+0
|
|
|
|
1.000Sm+3 + 1.000Cl- = SmCl+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.720 #Original data 01LUO/BYR and 07LUO/BYR
|
|
delta_h 22.277 #kJ/mol
|
|
# Enthalpy of formation: -836.001 #kJ/mol
|
|
-analytic 4.62276E+0 0E+0 -1.16361E+3 0E+0 0E+0
|
|
|
|
1.000Sm+3 + 1.000F- = SmF+2
|
|
#-llnl_gamma 5.7
|
|
log_k 4.210 #07LUO/BYR
|
|
delta_h 24.180 #kJ/mol
|
|
# Enthalpy of formation: -1002.368 #kJ/mol
|
|
-analytic 8.44615E+0 0E+0 -1.26301E+3 0E+0 0E+0
|
|
|
|
1.000Sm+3 + 2.000F- = SmF2+
|
|
#-llnl_gamma 4.1
|
|
log_k 6.430 #Original data 99SCH/BYR and 04LUO/BYR
|
|
delta_h 18.850 #kJ/mol #04LOU/MIL
|
|
# Enthalpy of formation: -1343.048 #kJ/mol
|
|
-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
|
|
#-llnl_gamma 5.7
|
|
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
|
|
|
|
1.000Sn+2 + 1.000Cit-3 = Sn(Cit)-
|
|
#-llnl_gamma 5.5
|
|
log_k 8.700 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.7E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 2.000Cit-3 = Sn(Cit)2-4
|
|
#-llnl_gamma 5.5
|
|
log_k 11.900 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.19E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 1.000Edta-4 = Sn(Edta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 24.600 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 2.000H+ + 1.000Edta-4 = Sn(H2Edta)
|
|
#-llnl_gamma 5.5
|
|
log_k 24.300 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.43E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 1.000H+ + 1.000Edta-4 = Sn(HEdta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 23.400 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.34E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 1.000Nta-3 = Sn(Nta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 13.400 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.34E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 - 1.000H+ + 1.000H2O = Sn(OH)+
|
|
#-llnl_gamma 4.1
|
|
log_k -3.530 #12GAM/GAJ
|
|
delta_h 18.611 #kJ/mol
|
|
# Enthalpy of formation: -276.835 #kJ/mol
|
|
-analytic -2.69498E-1 0E+0 -9.72119E+2 0E+0 0E+0
|
|
|
|
1.000Sn+2 - 2.000H+ + 2.000H2O = Sn(OH)2
|
|
#-llnl_gamma 3.4
|
|
log_k -7.680 #12GAM/GAJ
|
|
delta_h 40.762 #kJ/mol
|
|
# Enthalpy of formation: -540.515 #kJ/mol
|
|
-analytic -5.38815E-1 0E+0 -2.12914E+3 0E+0 0E+0
|
|
|
|
1.000Sn+2 - 3.000H+ + 3.000H2O = Sn(OH)3-
|
|
#-llnl_gamma 3.6
|
|
log_k -16.430
|
|
delta_h 89.189 #kJ/mol
|
|
# Enthalpy of formation: -777.917 #kJ/mol
|
|
-analytic -8.04781E-1 0E+0 -4.65866E+3 0E+0 0E+0
|
|
|
|
1.000Sn+4 - 4.000H+ + 4.000H2O = Sn(OH)4
|
|
#-llnl_gamma 3.4
|
|
log_k 7.540
|
|
delta_h -49.205 #kJ/mol
|
|
# Enthalpy of formation: -1224.035 #kJ/mol
|
|
-analytic -1.08033E+0 0E+0 2.57015E+3 0E+0 0E+0
|
|
|
|
1.000Sn+4 - 5.000H+ + 5.000H2O = Sn(OH)5-
|
|
#-llnl_gamma 3.6
|
|
log_k -1.060
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.06E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+4 - 6.000H+ + 6.000H2O = Sn(OH)6-2
|
|
#-llnl_gamma 4.7
|
|
log_k -11.130
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.113E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 - 1.000H+ + 1.000Cl- + 1.000H2O = Sn(OH)Cl
|
|
#-llnl_gamma 3.4
|
|
log_k -3.100 #52VAN/RHO recalculated in 02HUM/BER
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.1E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 1.000Ox-2 = Sn(Ox)
|
|
#-llnl_gamma 5.5
|
|
log_k 6.500 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 2.000Ox-2 = Sn(Ox)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k 12.900 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 3.000Ox-2 = Sn(Ox)3-4
|
|
#-llnl_gamma 5.5
|
|
log_k 17.100 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.71E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 1.000SO4-2 = Sn(SO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 3.430 #12GAM/GAJ
|
|
delta_h 16.900 #kJ/mol #Suggested but not selected in 12GAM/GAJ
|
|
# Enthalpy of formation: -902.057 #kJ/mol
|
|
-analytic 6.39075E+0 0E+0 -8.82747E+2 0E+0 0E+0
|
|
|
|
3.000Sn+2 - 4.000H+ + 4.000H2O = Sn3(OH)4+2
|
|
#-llnl_gamma 5.7
|
|
log_k -5.600 #12GAM/GAJ
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.6E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 1.000Br- = SnBr+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.330 #12GAM/GAJ
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.33E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 2.000Br- = SnBr2
|
|
#-llnl_gamma 3.4
|
|
log_k 1.970 #12GAM/GAJ
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.97E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 3.000Br- = SnBr3-
|
|
#-llnl_gamma 3.6
|
|
log_k 1.930 #12GAM/GAJ
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.93E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 1.000Cl- = SnCl+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.520 #12GAM/GAJ
|
|
delta_h 12.700 #kJ/mol #12GAM/GAJ
|
|
# Enthalpy of formation: -163.997 #kJ/mol
|
|
-analytic 3.74494E+0 0E+0 -6.63366E+2 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 2.000Cl- = SnCl2
|
|
#-llnl_gamma 3.4
|
|
log_k 2.170 #12GAM/GAJ
|
|
delta_h 19.700 #kJ/mol #12GAM/GAJ
|
|
# Enthalpy of formation: -324.077 #kJ/mol
|
|
-analytic 5.62129E+0 0E+0 -1.029E+3 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 3.000Cl- = SnCl3-
|
|
#-llnl_gamma 3.6
|
|
log_k 2.130 #12GAM/GAJ
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.13E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 4.000Cl- = SnCl4-2
|
|
#-llnl_gamma 4.7
|
|
log_k 2.030 #12GAM/GAJ
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.03E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 1.000F- = SnF+
|
|
#-llnl_gamma 4.1
|
|
log_k 5.250 #12GAM/GAJ
|
|
delta_h -9.580 #kJ/mol
|
|
# Enthalpy of formation: -354.546 #kJ/mol
|
|
-analytic 3.57166E+0 0E+0 5.00398E+2 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 2.000F- = SnF2
|
|
#-llnl_gamma 3.4
|
|
log_k 8.890 #12GAM/GAJ
|
|
delta_h -9.969 #kJ/mol
|
|
# Enthalpy of formation: -690.285 #kJ/mol
|
|
-analytic 7.14351E+0 0E+0 5.20716E+2 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 3.000F- = SnF3-
|
|
#-llnl_gamma 3.6
|
|
log_k 11.500 #12GAM/GAJ
|
|
delta_h -4.479 #kJ/mol
|
|
# Enthalpy of formation: -1020.145 #kJ/mol
|
|
-analytic 1.07153E+1 0E+0 2.33954E+2 0E+0 0E+0
|
|
|
|
1.000Sn+2 - 1.000H+ + 1.000H2(PO4)- = SnHPO4
|
|
#-llnl_gamma 3.4
|
|
log_k 2.290 #00CIA/IUL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.29E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 1.000I- = SnI+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.740 #68HAI/JOH1 recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.74E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 + 2.000I- = SnI2
|
|
#-llnl_gamma 3.4
|
|
log_k 2.690 #68HAI/JOH1 recalculated
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.69E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sn+2 - 2.000H+ + 1.000H2(PO4)- = SnPO4-
|
|
#-llnl_gamma 3.6
|
|
log_k -1.560 #00CIA/IUL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.56E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000CO3-2 = Sr(CO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.810 #84BUS/PLU
|
|
delta_h 21.796 #kJ/mol
|
|
# Enthalpy of formation: -1204.335 #kJ/mol
|
|
-analytic 6.62849E+0 0E+0 -1.13848E+3 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000Cit-3 = Sr(Cit)-
|
|
#-llnl_gamma 5.5
|
|
log_k 4.240 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.24E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 - 1.000H+ + 2.000Cit-3 + 1.000H2O = Sr(Cit)2(OH)-5
|
|
#-llnl_gamma 5.5
|
|
log_k -1.780 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.78E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 2.000Cit-3 = Sr(Cit)2-4
|
|
#-llnl_gamma 5.5
|
|
log_k 4.840 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.84E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000Cn- = Sr(Cn)+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.710 #estimation NEA87 08/02/95
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7.1E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 2.000Cn- = Sr(Cn)2
|
|
#-llnl_gamma 3.4
|
|
log_k 0.200 #estimation NEA87 08/02/95
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000Edta-4 = Sr(Edta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 10.300 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.03E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 2.000H+ + 1.000Cit-3 = Sr(H2Cit)+
|
|
#-llnl_gamma 5.5
|
|
log_k 12.460 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.246E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000H2(PO4)- = Sr(H2PO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.830 #97MAR/SMI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.3E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000H+ + 1.000CO3-2 = Sr(HCO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 11.510 #84BUS/PLUS
|
|
delta_h 10.597 #kJ/mol
|
|
# Enthalpy of formation: -1215.533 #kJ/mol
|
|
-analytic 1.33665E+1 0E+0 -5.53519E+2 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000H+ + 1.000Cit-3 = Sr(HCit)
|
|
#-llnl_gamma 5.5
|
|
log_k 9.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000H+ + 1.000Edta-4 = Sr(HEdta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 14.700 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.47E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000H+ + 1.000Ox-2 = Sr(HOx)+
|
|
#-llnl_gamma 5.5
|
|
log_k 5.800 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.8E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 2.000H+ + 2.000Ox-2 = Sr(HOx)2
|
|
#-llnl_gamma 5.5
|
|
log_k 10.800 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.08E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 - 1.000H+ + 1.000H2(PO4)- = Sr(HPO4)
|
|
#-llnl_gamma 3.4
|
|
log_k -4.700 #97MAR/SMI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.7E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000IO3- = Sr(IO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.330 #estimation NEA87 01/02/95
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.3E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 2.000IO3- = Sr(IO3)2
|
|
#-llnl_gamma 3.4
|
|
log_k -0.550 #estimation NEA87 01/02/95
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.5E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000NH3 = Sr(NH3)+2
|
|
#-llnl_gamma 5.7
|
|
log_k -0.550 #estimation NEA87 08/02/95
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.5E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000NO3- = Sr(NO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.600 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 2.000NO3- = Sr(NO3)2
|
|
#-llnl_gamma 3.4
|
|
log_k 0.310 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.1E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000Nta-3 = Sr(Nta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 6.250 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.25E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 - 1.000H+ + 1.000H2O = Sr(OH)+
|
|
#-llnl_gamma 4.1
|
|
log_k -13.290 #76BAE/MES
|
|
delta_h 82.608 #kJ/mol
|
|
# Enthalpy of formation: -754.122 #kJ/mol
|
|
-analytic 1.18228E+0 0E+0 -4.31491E+3 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000Ox-2 = Sr(Ox)
|
|
#-llnl_gamma 5.5
|
|
log_k 2.540 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.54E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 2.000Ox-2 = Sr(Ox)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k 3.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 - 2.000H+ + 1.000H2(PO4)- = Sr(PO4)-
|
|
#-llnl_gamma 3.6
|
|
log_k -13.560 #96BOU1
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.356E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000Pyrophos-4 = Sr(Pyrophos)-2
|
|
#-llnl_gamma 4.7
|
|
log_k 5.400 #76SMI/MAR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.4E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000S2O3-2 = Sr(S2O3)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.040 #76SMI/MAR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.04E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000SO4-2 = Sr(SO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.300 #06BLA/IGN
|
|
delta_h 7.029 #kJ/mol #06BLA/IGN
|
|
# Enthalpy of formation: -1453.211 #kJ/mol
|
|
-analytic 3.53143E+0 0E+0 -3.6715E+2 0E+0 0E+0
|
|
|
|
2.000Sr+2 - 1.000H+ + 1.000Cit-3 + 1.000H2O = Sr2(Cit)(OH)
|
|
#-llnl_gamma 5.5
|
|
log_k 0.380 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.8E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000B(OH)4- = SrB(OH)4+
|
|
#-llnl_gamma 4.1
|
|
log_k 1.550 #80BAS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.55E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000Cl- = SrCl+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.230 #96BOU1
|
|
delta_h 4.926 #kJ/mol
|
|
# Enthalpy of formation: -713.054 #kJ/mol
|
|
-analytic 1.093E+0 0E+0 -2.57303E+2 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000F- = SrF+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.300 #96BOU
|
|
delta_h 16.740 #kJ/mol #96BOU
|
|
# Enthalpy of formation: -869.51 #kJ/mol
|
|
-analytic 3.23272E+0 0E+0 -8.7439E+2 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 2.000F- = SrF2
|
|
#-llnl_gamma 3.4
|
|
log_k 2.020 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.02E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 1.000I- = SrI+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.140 #estimation NEA87 01/02/95
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.4E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Sr+2 + 2.000I- = SrI2
|
|
#-llnl_gamma 3.4
|
|
log_k -0.040 #estimation NEA87 01/02/95
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4E-2 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000TcO(OH)2 + 2.000H+ + 1.000CO3-2 - 1.000H2O = Tc(OH)2CO3
|
|
#-llnl_gamma 3.4
|
|
log_k 19.260 #99RAR/RAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.926E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000TcO(OH)2 + 1.000H+ + 1.000CO3-2 = Tc(OH)3CO3-
|
|
#-llnl_gamma 3.6
|
|
log_k 10.960 #99RAR/RAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.096E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000TcO(OH)2 + 1.000H+ - 1.000H2O + 1.000Acetate- = TcO(OH)(Acetate)
|
|
#-llnl_gamma 5.5
|
|
log_k 5.550 #11RIC/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.55E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000TcO(OH)2 + 1.000H+ + 1.000Edta-4 - 1.000H2O = TcO(OH)(Edta)-3
|
|
#-llnl_gamma 5.5
|
|
log_k 19.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.9E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000TcO(OH)2 + 1.000H+ + 1.000Nta-3 - 1.000H2O = TcO(OH)(Nta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 13.300 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.33E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000TcO(OH)2 + 1.000H+ + 2.000Nta-3 - 1.000H2O = TcO(OH)(Nta)2-5
|
|
#-llnl_gamma 5.5
|
|
log_k 11.700 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.17E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000TcO(OH)2 + 1.000H+ - 1.000H2O = TcO(OH)+
|
|
#-llnl_gamma 4.1
|
|
log_k 2.790
|
|
delta_h 4.020 #kJ/mol #97NGU/LAN
|
|
# Enthalpy of formation: -459.408 #kJ/mol
|
|
-analytic 3.49427E+0 0E+0 -2.09979E+2 0E+0 0E+0
|
|
|
|
1.000TcO(OH)2 + 2.000H+ + 1.000Ox-2 - 2.000H2O = TcO(Ox)
|
|
#-llnl_gamma 5.5
|
|
log_k 9.800 #06XIA/HES
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.8E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000TcO(OH)2 + 2.000H+ + 2.000Ox-2 - 2.000H2O = TcO(Ox)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k 13.660 #06XIA/HES
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.366E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000TcO(OH)2 + 2.000H+ - 2.000H2O = TcO+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.580 #97NGU/LAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.58E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 1.000Acetate- = Th(Acetate)+3
|
|
#-llnl_gamma 5.5
|
|
log_k 5.240 #11RIC/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.24E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 2.000Acetate- = Th(Acetate)2+2
|
|
#-llnl_gamma 5.5
|
|
log_k 9.440 #11RIC/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.44E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 3.000Acetate- = Th(Acetate)3+
|
|
#-llnl_gamma 5.5
|
|
log_k 12.560 #11RIC/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.256E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 4.000Acetate- = Th(Acetate)4
|
|
#-llnl_gamma 5.5
|
|
log_k 14.380 #11RIC/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.438E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 5.000Acetate- = Th(Acetate)5-
|
|
#-llnl_gamma 5.5
|
|
log_k 15.370 #11RIC/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.537E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 5.000CO3-2 = Th(CO3)5-6
|
|
#-llnl_gamma 18.1
|
|
log_k 31.000 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.1E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 1.000Cit-3 = Th(Cit)+
|
|
#-llnl_gamma 5.5
|
|
log_k 16.800 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.68E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 2.000Cit-3 = Th(Cit)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k 25.800 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.58E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 1.000Edta-4 = Th(Edta)
|
|
#-llnl_gamma 5.5
|
|
log_k 26.950 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.695E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 1.000H2(PO4)- = Th(H2PO4)+3
|
|
#-llnl_gamma 8.2
|
|
log_k 5.590 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.59E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 2.000H2(PO4)- = Th(H2PO4)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 10.480 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.048E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 1.000H+ + 2.000H2(PO4)- = Th(H3PO4)(H2PO4)+3
|
|
#-llnl_gamma 8.2
|
|
log_k 9.700 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.7E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 1.000H+ + 1.000H2(PO4)- = Th(H3PO4)+4
|
|
#-llnl_gamma 11.6
|
|
log_k 4.030 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.03E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 1.000H+ + 1.000Edta-4 = Th(HEdta)+
|
|
#-llnl_gamma 5.5
|
|
log_k 28.700 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.87E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 1.000H+ + 1.000Ox-2 = Th(HOx)+3
|
|
#-llnl_gamma 5.5
|
|
log_k 11.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.1E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 2.000H+ + 2.000Ox-2 = Th(HOx)2+2
|
|
#-llnl_gamma 5.5
|
|
log_k 18.130 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.813E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 4.000H+ + 4.000Ox-2 = Th(HOx)4
|
|
#-llnl_gamma 5.5
|
|
log_k 24.300 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.43E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 1.000Malonate-2 = Th(Malonate)+2
|
|
#-llnl_gamma 5.5
|
|
log_k 9.320 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.32E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 2.000Malonate-2 = Th(Malonate)2
|
|
#-llnl_gamma 5.5
|
|
log_k 16.070 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.607E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 3.000Malonate-2 = Th(Malonate)3-2
|
|
#-llnl_gamma 5.5
|
|
log_k 19.630 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.963E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 1.000NO3- = Th(NO3)+3
|
|
#-llnl_gamma 8.2
|
|
log_k 1.300 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.3E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 2.000NO3- = Th(NO3)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.300 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 1.000Nta-3 = Th(Nta)+
|
|
#-llnl_gamma 5.5
|
|
log_k 17.150 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.715E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 - 1.000H+ + 4.000CO3-2 + 1.000H2O = Th(OH)(CO3)4-5
|
|
#-llnl_gamma 13.4
|
|
log_k 21.600 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.16E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 - 1.000H+ + 1.000Edta-4 + 1.000H2O = Th(OH)(Edta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 19.500 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.95E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 - 1.000H+ + 1.000Nta-3 + 1.000H2O = Th(OH)(Nta)
|
|
#-llnl_gamma 5.5
|
|
log_k 11.200 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.12E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 - 1.000H+ + 1.000H2O = Th(OH)+3
|
|
#-llnl_gamma 8.2
|
|
log_k -2.500 #09RAN/FUG
|
|
delta_h 44.200 #kJ/mol #09RAN/FUG
|
|
# Enthalpy of formation: -1010.33 #kJ/mol
|
|
-analytic 5.2435E+0 0E+0 -2.30872E+3 0E+0 0E+0
|
|
|
|
1.000Th+4 - 2.000H+ + 1.000CO3-2 + 2.000H2O = Th(OH)2(CO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.500 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 - 2.000H+ + 2.000CO3-2 + 2.000H2O = Th(OH)2(CO3)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 8.800 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.8E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 - 2.000H+ + 1.000Nta-3 + 2.000H2O = Th(OH)2(Nta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 7.200 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7.2E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 - 2.000H+ + 2.000H2O = Th(OH)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k -6.200 #09RAN/FUG
|
|
delta_h 85.700 #kJ/mol #09RAN/FUG
|
|
# Enthalpy of formation: -1254.66 #kJ/mol
|
|
-analytic 8.81397E+0 0E+0 -4.47642E+3 0E+0 0E+0
|
|
|
|
1.000Th+4 - 3.000H+ + 1.000CO3-2 + 3.000H2O = Th(OH)3(CO3)-
|
|
#-llnl_gamma 3.6
|
|
log_k -3.700 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.7E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = Th(OH)3(HGlu)
|
|
#-llnl_gamma 5.5
|
|
log_k -6.700 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.7E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = Th(OH)3(HIsa)
|
|
#-llnl_gamma 5.5
|
|
log_k -5.650 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.65E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = Th(OH)3(HIsa)2-
|
|
#-llnl_gamma 5.5
|
|
log_k -4.900 #09RAI/YUI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.9E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 - 3.000H+ + 3.000H2O = Th(OH)3+
|
|
#-llnl_gamma 4.1
|
|
log_k -11.000 #10GRI/RIB
|
|
delta_h 125.623 #kJ/mol
|
|
# Enthalpy of formation: -1500.566 #kJ/mol
|
|
-analytic 1.10082E+1 0E+0 -6.56174E+3 0E+0 0E+0
|
|
|
|
1.000Th+4 - 4.000H+ + 4.000H2O = Th(OH)4
|
|
#-llnl_gamma 3.4
|
|
log_k -17.400 #09RAN/FUG
|
|
delta_h 152.688 #kJ/mol
|
|
# Enthalpy of formation: -1759.331 #kJ/mol
|
|
-analytic 9.34975E+0 0E+0 -7.97544E+3 0E+0 0E+0
|
|
|
|
1.000Th+4 - 4.000H+ + 1.000CO3-2 + 4.000H2O = Th(OH)4(CO3)-2
|
|
#-llnl_gamma 4.7
|
|
log_k -15.600 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.56E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = Th(OH)4(HGlu)-
|
|
#-llnl_gamma 5.5
|
|
log_k -11.800 #13COL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.18E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 - 4.000H+ + 2.000HGlu- + 4.000H2O = Th(OH)4(HGlu)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k -9.900 #13COL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -9.9E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = Th(OH)4(HIsa)-
|
|
#-llnl_gamma 5.5
|
|
log_k -13.200 #13COL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.32E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = Th(OH)4(HIsa)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k -10.400 #13COL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.04E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 1.000Ox-2 = Th(Ox)+2
|
|
#-llnl_gamma 5.5
|
|
log_k 9.700 #08SAS/TAK; 09KOB/SAS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.7E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 2.000Ox-2 = Th(Ox)2
|
|
#-llnl_gamma 5.5
|
|
log_k 16.000 #08SAS/TAK; 09KOB/SAS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 3.000Ox-2 = Th(Ox)3-2
|
|
#-llnl_gamma 5.5
|
|
log_k 22.200 #08SAS/TAK; 09KOB/SAS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.22E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 1.000SO4-2 = Th(SO4)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 6.170 #09RAN/FUG
|
|
delta_h 20.920 #kJ/mol #09RAN/FUG
|
|
# Enthalpy of formation: -1657.12 #kJ/mol
|
|
-analytic 9.83502E+0 0E+0 -1.09273E+3 0E+0 0E+0
|
|
|
|
1.000Th+4 + 2.000SO4-2 = Th(SO4)2
|
|
#-llnl_gamma 3.4
|
|
log_k 9.690 #09RAN/FUG
|
|
delta_h 40.380 #kJ/mol #09RAN/FUG
|
|
# Enthalpy of formation: -2547 #kJ/mol
|
|
-analytic 1.67643E+1 0E+0 -2.10919E+3 0E+0 0E+0
|
|
|
|
1.000Th+4 + 3.000SO4-2 = Th(SO4)3-2
|
|
#-llnl_gamma 4.7
|
|
log_k 10.750 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.075E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 1.000Succinat-2 = Th(Succinat)+2
|
|
#-llnl_gamma 5.5
|
|
log_k 8.490 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.49E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 2.000Succinat-2 = Th(Succinat)2
|
|
#-llnl_gamma 5.5
|
|
log_k 12.920 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.292E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 3.000Succinat-2 = Th(Succinat)3-2
|
|
#-llnl_gamma 5.5
|
|
log_k 16.620 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.662E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000Th+4 - 2.000H+ + 2.000H2O = Th2(OH)2+6
|
|
#-llnl_gamma 21.1
|
|
log_k -5.900 #09RAN/FUG
|
|
delta_h 58.300 #kJ/mol #09RAN/FUG
|
|
# Enthalpy of formation: -2050.76 #kJ/mol
|
|
-analytic 4.31371E+0 0E+0 -3.04522E+3 0E+0 0E+0
|
|
|
|
2.000Th+4 - 3.000H+ + 3.000H2O = Th2(OH)3+5
|
|
#-llnl_gamma 15.9
|
|
log_k -6.800 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.8E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000Th+4 - 1.000H+ + 1.000Ox-2 + 1.000H2O = Th2(Ox)(OH)+5
|
|
#-llnl_gamma 5.5
|
|
log_k 26.240 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.624E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
4.000Th+4 - 12.000H+ + 12.000H2O = Th4(OH)12+4
|
|
#-llnl_gamma 11.6
|
|
log_k -26.600 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.66E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
4.000Th+4 - 8.000H+ + 8.000H2O = Th4(OH)8+8
|
|
#-llnl_gamma 34.2
|
|
log_k -20.400 #09RAN/FUG
|
|
delta_h 243.000 #kJ/mol #09RAN/FUG
|
|
# Enthalpy of formation: -5118.44 #kJ/mol
|
|
-analytic 2.21717E+1 0E+0 -1.26928E+4 0E+0 0E+0
|
|
|
|
6.000Th+4 - 14.000H+ + 14.000H2O = Th6(OH)14+10
|
|
#-llnl_gamma 51.0
|
|
log_k -36.800 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.68E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
6.000Th+4 - 15.000H+ + 15.000H2O = Th6(OH)15+9
|
|
#-llnl_gamma 42.1
|
|
log_k -36.800 #09RAN/FUG
|
|
delta_h 472.800 #kJ/mol #09RAN/FUG
|
|
# Enthalpy of formation: -8426.85 #kJ/mol
|
|
-analytic 4.60309E+1 0E+0 -2.4696E+4 0E+0 0E+0
|
|
|
|
1.000Th+4 + 1.000Cl- = ThCl+3
|
|
#-llnl_gamma 8.2
|
|
log_k 1.700 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.7E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 1.000F- = ThF+3
|
|
#-llnl_gamma 8.2
|
|
log_k 8.870 #09RAN/FUG
|
|
delta_h -0.400 #kJ/mol #09RAN/FUG
|
|
# Enthalpy of formation: -1104.45 #kJ/mol
|
|
-analytic 8.79992E+0 0E+0 2.08934E+1 0E+0 0E+0
|
|
|
|
1.000Th+4 + 2.000F- = ThF2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 15.630 #09RAN/FUG
|
|
delta_h -3.300 #kJ/mol #09RAN/FUG
|
|
# Enthalpy of formation: -1442.7 #kJ/mol
|
|
-analytic 1.50519E+1 0E+0 1.72371E+2 0E+0 0E+0
|
|
|
|
1.000Th+4 + 3.000F- = ThF3+
|
|
#-llnl_gamma 4.1
|
|
log_k 20.670 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.067E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Th+4 + 4.000F- = ThF4
|
|
#-llnl_gamma 3.4
|
|
log_k 25.580 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.558E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 + 1.000Acetate- = U(Acetate)+3
|
|
#-llnl_gamma 5.5
|
|
log_k 5.640 #12GRI/GAR2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.64E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 + 2.000Acetate- = U(Acetate)2+2
|
|
#-llnl_gamma 5.5
|
|
log_k 9.810 #12GRI/GAR2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.81E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 + 4.000CO3-2 = U(CO3)4-4
|
|
#-llnl_gamma 9.6
|
|
log_k 35.120 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.512E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 + 5.000CO3-2 = U(CO3)5-6
|
|
#-llnl_gamma 18.1
|
|
log_k 34.000 #03GUI/FAN
|
|
delta_h -20.000 #kJ/mol #03GUI/FAN
|
|
# Enthalpy of formation: -3987.35 #kJ/mol
|
|
-analytic 3.04962E+1 0E+0 1.04467E+3 0E+0 0E+0
|
|
|
|
1.000U+4 + 1.000Edta-4 = U(Edta)
|
|
#-llnl_gamma 5.5
|
|
log_k 29.500 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.95E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 + 1.000NO3- = U(NO3)+3
|
|
#-llnl_gamma 8.2
|
|
log_k 1.470 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.47E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 + 2.000NO3- = U(NO3)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.300 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.3E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 + 1.000Nta-3 = U(Nta)+
|
|
#-llnl_gamma 5.5
|
|
log_k 20.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 - 1.000H+ + 1.000Edta-4 + 1.000H2O = U(OH)(Edta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 24.600 #63ERM/KRO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 - 1.000H+ + 1.000H2O = U(OH)+3
|
|
#-llnl_gamma 8.2
|
|
log_k -0.540 #92GRE/FUG
|
|
delta_h 46.910 #kJ/mol
|
|
# Enthalpy of formation: -830.119 #kJ/mol
|
|
-analytic 7.67827E+0 0E+0 -2.45028E+3 0E+0 0E+0
|
|
|
|
1.000U+4 - 2.000H+ + 1.000Edta-4 + 2.000H2O = U(OH)2(Edta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 16.500 #63ERM/KRO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.65E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 - 2.000H+ + 2.000H2O = U(OH)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k -1.100 #01NEC/KIM
|
|
delta_h 59.963 #kJ/mol
|
|
# Enthalpy of formation: -1102.896 #kJ/mol
|
|
-analytic 9.40505E+0 0E+0 -3.13208E+3 0E+0 0E+0
|
|
|
|
1.000U+4 - 3.000H+ + 1.000HGlu- + 3.000H2O = U(OH)3(HGlu)
|
|
#-llnl_gamma 5.5
|
|
log_k 0.290 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.9E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 - 3.000H+ + 1.000HIsa- + 3.000H2O = U(OH)3(HIsa)
|
|
#-llnl_gamma 5.5
|
|
log_k 0.290 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.9E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 - 3.000H+ + 2.000HIsa- + 3.000H2O = U(OH)3(HIsa)2-
|
|
#-llnl_gamma 5.5
|
|
log_k 2.400 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.4E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 - 3.000H+ + 3.000H2O = U(OH)3+
|
|
#-llnl_gamma 4.1
|
|
log_k -4.700 #01NEC/KIM
|
|
delta_h 82.942 #kJ/mol
|
|
# Enthalpy of formation: -1365.747 #kJ/mol
|
|
-analytic 9.83079E+0 0E+0 -4.33236E+3 0E+0 0E+0
|
|
|
|
1.000U+4 - 4.000H+ + 4.000H2O = U(OH)4
|
|
#-llnl_gamma 3.4
|
|
log_k -10.000 #03GUI/FAN
|
|
delta_h 109.870 #kJ/mol
|
|
# Enthalpy of formation: -1624.649 #kJ/mol
|
|
-analytic 9.24837E+0 0E+0 -5.7389E+3 0E+0 0E+0
|
|
|
|
1.000U+4 - 4.000H+ + 1.000HGlu- + 4.000H2O = U(OH)4(HGlu)-
|
|
#-llnl_gamma 5.5
|
|
log_k -5.940 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.94E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 - 4.000H+ + 1.000HIsa- + 4.000H2O = U(OH)4(HIsa)-
|
|
#-llnl_gamma 5.5
|
|
log_k -6.700 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.7E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 - 4.000H+ + 2.000HIsa- + 4.000H2O = U(OH)4(HIsa)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k -5.100 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.1E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 + 2.000Ox-2 = U(Ox)2
|
|
#-llnl_gamma 5.5
|
|
log_k 18.630 #12GRI/GAR2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.863E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 + 3.000Ox-2 = U(Ox)3-2
|
|
#-llnl_gamma 5.5
|
|
log_k 24.190 #12GRI/GAR2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.419E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 + 1.000SO4-2 = U(SO4)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 6.580 #92GRE/FUG
|
|
delta_h 8.000 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -1492.54 #kJ/mol
|
|
-analytic 7.98154E+0 0E+0 -4.17868E+2 0E+0 0E+0
|
|
|
|
1.000U+4 + 2.000SO4-2 = U(SO4)2
|
|
#-llnl_gamma 3.4
|
|
log_k 10.510 #92GRE/FUG
|
|
delta_h 32.700 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -2377.18 #kJ/mol
|
|
-analytic 1.62388E+1 0E+0 -1.70804E+3 0E+0 0E+0
|
|
|
|
1.000U+4 + 1.000Br- = UBr+3
|
|
#-llnl_gamma 8.2
|
|
log_k 1.460 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.46E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 + 1.000Cl- = UCl+3
|
|
#-llnl_gamma 8.2
|
|
log_k 1.720 #92GRE/FUG
|
|
delta_h -19.000 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -777.28 #kJ/mol
|
|
-analytic -1.60865E+0 0E+0 9.92438E+2 0E+0 0E+0
|
|
|
|
1.000U+4 + 1.000F- = UF+3
|
|
#-llnl_gamma 8.2
|
|
log_k 9.420 #03GUI/FAN
|
|
delta_h -5.600 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -932.15 #kJ/mol
|
|
-analytic 8.43892E+0 0E+0 2.92508E+2 0E+0 0E+0
|
|
|
|
1.000U+4 + 2.000F- = UF2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 16.560 #03GUI/FAN
|
|
delta_h -3.500 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -1265.4 #kJ/mol
|
|
-analytic 1.59468E+1 0E+0 1.82817E+2 0E+0 0E+0
|
|
|
|
1.000U+4 + 3.000F- = UF3+
|
|
#-llnl_gamma 4.1
|
|
log_k 21.890 #03GUI/FAN
|
|
delta_h 0.500 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -1596.75 #kJ/mol
|
|
-analytic 2.19776E+1 0E+0 -2.61168E+1 0E+0 0E+0
|
|
|
|
1.000U+4 + 4.000F- = UF4
|
|
#-llnl_gamma 3.4
|
|
log_k 26.340 #03GUI/FAN
|
|
delta_h -8.430 #kJ/mol
|
|
# Enthalpy of formation: -1941.028 #kJ/mol
|
|
-analytic 2.48631E+1 0E+0 4.40329E+2 0E+0 0E+0
|
|
|
|
1.000U+4 + 5.000F- = UF5-
|
|
#-llnl_gamma 3.6
|
|
log_k 27.730 #03GUI/FAN
|
|
delta_h -11.636 #kJ/mol
|
|
# Enthalpy of formation: -2279.584 #kJ/mol
|
|
-analytic 2.56915E+1 0E+0 6.0779E+2 0E+0 0E+0
|
|
|
|
1.000U+4 + 6.000F- = UF6-2
|
|
#-llnl_gamma 4.7
|
|
log_k 29.800 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.98E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 + 1.000I- = UI+3
|
|
#-llnl_gamma 8.2
|
|
log_k 1.250 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.25E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000Acetate- = UO2(Acetate)+
|
|
#-llnl_gamma 5.5
|
|
log_k 3.020 #11RIC/GRI
|
|
delta_h -15.894 #kJ/mol
|
|
# Enthalpy of formation: -1520.904 #kJ/mol
|
|
-analytic 2.35495E-1 0E+0 8.302E+2 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 2.000Acetate- = UO2(Acetate)2
|
|
#-llnl_gamma 5.5
|
|
log_k 5.200 #11RIC/GRI
|
|
delta_h -34.940 #kJ/mol
|
|
# Enthalpy of formation: -2025.96 #kJ/mol
|
|
-analytic -9.21216E-1 0E+0 1.82504E+3 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 3.000Acetate- = UO2(Acetate)3-
|
|
#-llnl_gamma 5.5
|
|
log_k 7.030 #11RIC/GRI
|
|
delta_h -65.460 #kJ/mol
|
|
# Enthalpy of formation: -2542.491 #kJ/mol
|
|
-analytic -4.43808E+0 0E+0 3.41921E+3 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000CO3-2 = UO2(CO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 9.940 #03GUI/FAN
|
|
delta_h 5.000 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -1689.23 #kJ/mol
|
|
-analytic 1.0816E+1 0E+0 -2.61168E+2 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 2.000CO3-2 = UO2(CO3)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 16.610 #03GUI/FAN
|
|
delta_h 18.500 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -2350.96 #kJ/mol
|
|
-analytic 1.98511E+1 0E+0 -9.66321E+2 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 3.000CO3-2 = UO2(CO3)3-4
|
|
#-llnl_gamma 9.6
|
|
log_k 21.840 #03GUI/FAN
|
|
delta_h -39.200 #kJ/mol #03GUI/FAN
|
|
# Enthalpy of formation: -3083.89 #kJ/mol
|
|
-analytic 1.49725E+1 0E+0 2.04756E+3 0E+0 0E+0
|
|
|
|
1.000UO2+ + 3.000CO3-2 = UO2(CO3)3-5
|
|
#-llnl_gamma 13.4
|
|
log_k 6.950 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.95E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000Cit-3 = UO2(Cit)-
|
|
#-llnl_gamma 5.5
|
|
log_k 8.960 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.96E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000Edta-4 = UO2(Edta)-2
|
|
#-llnl_gamma 5.5
|
|
log_k 13.700 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.37E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 2.000H+ + 1.000AsO4-3 = UO2(H2AsO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 21.960 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.196E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 4.000H+ + 2.000AsO4-3 = UO2(H2AsO4)2
|
|
#-llnl_gamma 3.4
|
|
log_k 41.530 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.153E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000H+ + 2.000H2(PO4)- = UO2(H2PO4)(H3PO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 5.930 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.93E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000H2(PO4)- = UO2(H2PO4)+
|
|
#-llnl_gamma 4.1
|
|
log_k 3.260 #92GRE/FUG
|
|
delta_h -15.340 #kJ/mol
|
|
# Enthalpy of formation: -2336.94 #kJ/mol
|
|
-analytic 5.72551E-1 0E+0 8.01263E+2 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 2.000H2(PO4)- = UO2(H2PO4)2
|
|
#-llnl_gamma 3.4
|
|
log_k 4.920 #92GRE/FUG
|
|
delta_h -51.871 #kJ/mol
|
|
# Enthalpy of formation: -3676.07 #kJ/mol
|
|
-analytic -4.1674E+0 0E+0 2.70941E+3 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000H+ + 1.000H2(PO4)- = UO2(H3PO4)+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.900 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.9E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000H+ + 1.000AsO4-3 = UO2(HAsO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 18.760 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.876E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000H+ + 1.000Cit-3 = UO2(HCit)
|
|
#-llnl_gamma 5.5
|
|
log_k 11.360 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.136E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000H+ + 1.000Edta-4 = UO2(HEdta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 19.610 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.961E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000HIsa- = UO2(HIsa)+
|
|
#-llnl_gamma 5.5
|
|
log_k 3.700 #04RAO/GAR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.7E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 2.000HIsa- = UO2(HIsa)2
|
|
#-llnl_gamma 5.5
|
|
log_k 6.600 #04RAO/GAR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.6E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 3.000HIsa- = UO2(HIsa)3-
|
|
#-llnl_gamma 5.5
|
|
log_k 8.500 #04RAO/GAR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000H+ + 1.000Nta-3 = UO2(HNta)
|
|
#-llnl_gamma 5.5
|
|
log_k 9.000 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 - 1.000H+ + 1.000H2(PO4)- = UO2(HPO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 0.030 #92GRE/FUG
|
|
delta_h 2.783 #kJ/mol
|
|
# Enthalpy of formation: -2318.816 #kJ/mol
|
|
-analytic 5.1756E-1 0E+0 -1.45366E+2 0E+0 0E+0
|
|
|
|
1.000UO2+2 - 12.000H+ - 12.000e- + 2.000I- + 6.000H2O = UO2(IO3)2
|
|
#-llnl_gamma 3.4
|
|
log_k -219.540 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.1954E+2 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000NO3- = UO2(NO3)+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.100 #08RAO/TIA
|
|
delta_h 3.900 #kJ/mol #08RAO/TIA
|
|
# Enthalpy of formation: -1221.95 #kJ/mol
|
|
-analytic 7.8325E-1 0E+0 -2.03711E+2 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000Nta-3 = UO2(Nta)-
|
|
#-llnl_gamma 5.5
|
|
log_k 10.800 #95AKR/BOU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.08E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 - 1.000H+ + 1.000Ox-2 + 1.000H2O = UO2(OH)(Ox)-
|
|
#-llnl_gamma 5.5
|
|
log_k 0.630 #56GRI/PTI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.3E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 - 1.000H+ + 1.000H2O = UO2(OH)+
|
|
#-llnl_gamma 4.1
|
|
log_k -5.250 #03GUI/FAN
|
|
delta_h 43.458 #kJ/mol
|
|
# Enthalpy of formation: -1261.372 #kJ/mol
|
|
-analytic 2.3635E+0 0E+0 -2.26997E+3 0E+0 0E+0
|
|
|
|
1.000UO2+2 - 2.000H+ + 2.000H2O = UO2(OH)2
|
|
#-llnl_gamma 3.4
|
|
log_k -12.150 #03GUI/FAN
|
|
delta_h 111.160 #kJ/mol
|
|
# Enthalpy of formation: -1479.5 #kJ/mol #82WAG/EVA
|
|
-analytic 7.32437E+0 0E+0 -5.80628E+3 0E+0 0E+0
|
|
|
|
1.000UO2+2 - 3.000H+ + 3.000H2O = UO2(OH)3-
|
|
#-llnl_gamma 3.6
|
|
log_k -20.250 #03GUI/FAN
|
|
delta_h 148.060 #kJ/mol #Estimated by linear correlations
|
|
# Enthalpy of formation: -1728.43 #kJ/mol
|
|
-analytic 5.68896E+0 0E+0 -7.7337E+3 0E+0 0E+0
|
|
|
|
1.000UO2+2 - 4.000H+ + 1.000HIsa- + 4.000H2O = UO2(OH)4(HIsa)-3
|
|
#-llnl_gamma 5.5
|
|
log_k -28.100 #06GAO/GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.81E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 - 4.000H+ + 4.000H2O = UO2(OH)4-2
|
|
#-llnl_gamma 4.7
|
|
log_k -32.400 #03GUI/FAN
|
|
delta_h 156.138 #kJ/mol
|
|
# Enthalpy of formation: -2006.181 #kJ/mol
|
|
-analytic -5.04584E+0 0E+0 -8.15564E+3 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000Ox-2 = UO2(Ox)
|
|
#-llnl_gamma 5.5
|
|
log_k 7.130 #05HUM/AND
|
|
delta_h 25.360 #kJ/mol
|
|
# Enthalpy of formation: -1824.3 #kJ/mol #05HUM/AND
|
|
-analytic 1.15729E+1 0E+0 -1.32464E+3 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 2.000Ox-2 = UO2(Ox)2-2
|
|
#-llnl_gamma 5.5
|
|
log_k 11.650 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.165E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 3.000Ox-2 = UO2(Ox)3-4
|
|
#-llnl_gamma 5.5
|
|
log_k 13.800 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 - 2.000H+ + 1.000H2(PO4)- = UO2(PO4)-
|
|
#-llnl_gamma 3.6
|
|
log_k -6.330 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.33E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000Phthalat-2 = UO2(Phthalat)
|
|
#-llnl_gamma 5.5
|
|
log_k 5.560 #11GRI/COL3
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.56E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000S2O3-2 = UO2(S2O3)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.800 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.8E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000SO3-2 = UO2(SO3)
|
|
#-llnl_gamma 3.4
|
|
log_k 6.600 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.6E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000SO4-2 = UO2(SO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 3.150 #03GUI/FAN
|
|
delta_h 19.500 #kJ/mol #03GUI/FAN
|
|
# Enthalpy of formation: -1908.84 #kJ/mol
|
|
-analytic 6.56625E+0 0E+0 -1.01855E+3 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 2.000SO4-2 = UO2(SO4)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 4.140 #03GUI/FAN
|
|
delta_h 35.100 #kJ/mol #03GUI/FAN
|
|
# Enthalpy of formation: -2802.58 #kJ/mol
|
|
-analytic 1.02892E+1 0E+0 -1.8334E+3 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 3.000SO4-2 = UO2(SO4)3-4
|
|
#-llnl_gamma 9.6
|
|
log_k 3.020 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.02E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000SeO4-2 = UO2(SeO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.740 #05OLI/NOL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.74E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 2.000SeO4-2 = UO2(SeO4)2-2
|
|
#-llnl_gamma 4.7
|
|
log_k 3.100 #99DJO/PIZ recalculated in 05OLI/NOL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.1E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000Succinat-2 = UO2(Succinat)
|
|
#-llnl_gamma 5.5
|
|
log_k 5.280 #13GRI/CAM
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.28E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000Br- = UO2Br+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.220 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.2E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000UO2+2 - 6.000H+ - 6.000e- + 1.000Br- + 3.000H2O = UO2BrO3+
|
|
#-llnl_gamma 4.1
|
|
log_k -145.540 #92GRE/FUG
|
|
delta_h 912.300 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -1085.6 #kJ/mol
|
|
-analytic 1.42879E+1 0E+0 -4.76527E+4 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000Cl- = UO2Cl+
|
|
#-llnl_gamma 4.1
|
|
log_k 0.170 #92GRE/FUG
|
|
delta_h 8.000 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -1178.08 #kJ/mol
|
|
-analytic 1.57154E+0 0E+0 -4.17868E+2 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 2.000Cl- = UO2Cl2
|
|
#-llnl_gamma 3.4
|
|
log_k -1.100 #92GRE/FUG
|
|
delta_h 15.000 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -1338.16 #kJ/mol
|
|
-analytic 1.52788E+0 0E+0 -7.83503E+2 0E+0 0E+0
|
|
|
|
1.000UO2+2 - 6.000H+ - 6.000e- + 1.000Cl- + 3.000H2O = UO2ClO3+
|
|
#-llnl_gamma 4.1
|
|
log_k -145.740 #92GRE/FUG
|
|
delta_h 916.670 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -1126.9 #kJ/mol
|
|
-analytic 1.48535E+1 0E+0 -4.78809E+4 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 1.000F- = UO2F+
|
|
#-llnl_gamma 4.1
|
|
log_k 5.160 #03GUI/FAN
|
|
delta_h 1.700 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -1352.65 #kJ/mol
|
|
-analytic 5.45783E+0 0E+0 -8.87971E+1 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 2.000F- = UO2F2
|
|
#-llnl_gamma 3.4
|
|
log_k 8.830 #03GUI/FAN
|
|
delta_h 2.100 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -1687.6 #kJ/mol
|
|
-analytic 9.1979E+0 0E+0 -1.0969E+2 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 3.000F- = UO2F3-
|
|
#-llnl_gamma 3.6
|
|
log_k 10.900 #03GUI/FAN
|
|
delta_h 2.350 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -2022.7 #kJ/mol
|
|
-analytic 1.13117E+1 0E+0 -1.22749E+2 0E+0 0E+0
|
|
|
|
1.000UO2+2 + 4.000F- = UO2F4-2
|
|
#-llnl_gamma 4.7
|
|
log_k 11.840 #03GUI/FAN
|
|
delta_h 0.290 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -2360.11 #kJ/mol
|
|
-analytic 1.18908E+1 0E+0 -1.51477E+1 0E+0 0E+0
|
|
|
|
1.000UO2+2 - 6.000H+ - 6.000e- + 1.000I- + 3.000H2O = UO2IO3+
|
|
#-llnl_gamma 4.1
|
|
log_k -109.560 #92GRE/FUG
|
|
delta_h 704.370 #kJ/mol #92GRE/FUG
|
|
# Enthalpy of formation: -1228.9 #kJ/mol
|
|
-analytic 1.38401E+1 0E+0 -3.67918E+4 0E+0 0E+0
|
|
|
|
1.000UO2+2 - 1.000H+ + 1.000H4(SiO4) = UO2SiO(OH)3+
|
|
#-llnl_gamma 4.1
|
|
log_k -1.840 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.84E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000U+4 + 1.000Ox-2 = UOx+2
|
|
#-llnl_gamma 5.5
|
|
log_k 10.670 #12GRI/GAR2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.067E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Zn+2 - 1.000H+ - 2.000e- + 1.000Cn- + 1.000HSe- = Zn(SeCn)+
|
|
#-llnl_gamma 4.1
|
|
log_k 14.240
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.424E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Zn+2 - 2.000H+ - 4.000e- + 2.000Cn- + 2.000HSe- = Zn(SeCn)2
|
|
#-llnl_gamma 3.4
|
|
log_k 27.730
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.773E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000Zn+2 + 1.000SeO4-2 = Zn(SeO4)
|
|
#-llnl_gamma 3.4
|
|
log_k 2.160 #05OLI/NOL
|
|
delta_h 4.600 #kJ/mol #05OLI/NOL
|
|
# Enthalpy of formation: -752.29 #kJ/mol
|
|
-analytic 2.96588E+0 0E+0 -2.40274E+2 0E+0 0E+0
|
|
|
|
4.000CO3-2 + 1.000Zr+4 = Zr(CO3)4-4
|
|
#-llnl_gamma 9.6
|
|
log_k 42.900 #05BRO/CUR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.29E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000NO3- + 1.000Zr+4 = Zr(NO3)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.640 #05BRO/CUR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.64E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 1.000H+ + 1.000Zr+4 + 1.000H2O = Zr(OH)+3
|
|
#-llnl_gamma 8.2
|
|
log_k 0.320 #05BRO/CUR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.2E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 2.000H+ + 1.000Zr+4 + 2.000H2O = Zr(OH)2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 0.980 #05BRO/CUR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.8E-1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 4.000H+ + 1.000Zr+4 + 4.000H2O = Zr(OH)4
|
|
#-llnl_gamma 3.4
|
|
log_k -2.190 #05BRO/CUR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.19E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 6.000H+ + 1.000Zr+4 + 6.000H2O = Zr(OH)6-2
|
|
#-llnl_gamma 4.7
|
|
log_k -29.000 #05BRO/CUR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.9E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000SO4-2 + 1.000Zr+4 = Zr(SO4)2
|
|
#-llnl_gamma 3.4
|
|
log_k 11.540 #05BRO/CUR
|
|
delta_h 67.380 #kJ/mol
|
|
# Enthalpy of formation: -2359.8 #kJ/mol #05BRO/CUR
|
|
-analytic 2.33445E+1 0E+0 -3.5195E+3 0E+0 0E+0
|
|
|
|
3.000SO4-2 + 1.000Zr+4 = Zr(SO4)3-2
|
|
#-llnl_gamma 4.7
|
|
log_k 14.300 #05BRO/CUR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.43E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 4.000H+ + 3.000Zr+4 + 4.000H2O = Zr3(OH)4+8
|
|
#-llnl_gamma 34.2
|
|
log_k 0.400 #05BRO/CUR
|
|
delta_h -1.980 #kJ/mol
|
|
# Enthalpy of formation: -2970.8 #kJ/mol #05BRO/CUR
|
|
-analytic 5.31194E-2 0E+0 1.03422E+2 0E+0 0E+0
|
|
|
|
- 15.000H+ + 4.000Zr+4 + 15.000H2O = Zr4(OH)15+
|
|
#-llnl_gamma 4.1
|
|
log_k 12.580 #05BRO/CUR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.258E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
- 16.000H+ + 4.000Zr+4 + 16.000H2O = Zr4(OH)16
|
|
#-llnl_gamma 3.4
|
|
log_k 8.390 #05BRO/CUR
|
|
delta_h 301.120 #kJ/mol
|
|
# Enthalpy of formation: -6706.16 #kJ/mol #05BRO/CUR
|
|
-analytic 6.11439E+1 0E+0 -1.57286E+4 0E+0 0E+0
|
|
|
|
1.000Cl- + 1.000Zr+4 = ZrCl+3
|
|
#-llnl_gamma 8.2
|
|
log_k 1.590 #05BRO/CUR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.59E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
2.000Cl- + 1.000Zr+4 = ZrCl2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 2.170 #05BRO/CUR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.17E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000F- + 1.000Zr+4 = ZrF+3
|
|
#-llnl_gamma 8.2
|
|
log_k 10.120 #05BRO/CUR
|
|
delta_h -17.500 #kJ/mol #05BRO/CUR
|
|
# Enthalpy of formation: -961.35 #kJ/mol
|
|
-analytic 7.05414E+0 0E+0 9.14087E+2 0E+0 0E+0
|
|
|
|
2.000F- + 1.000Zr+4 = ZrF2+2
|
|
#-llnl_gamma 5.7
|
|
log_k 18.550 #05BRO/CUR
|
|
delta_h -16.800 #kJ/mol #05BRO/CUR
|
|
# Enthalpy of formation: -1296 #kJ/mol
|
|
-analytic 1.56068E+1 0E+0 8.77524E+2 0E+0 0E+0
|
|
|
|
3.000F- + 1.000Zr+4 = ZrF3+
|
|
#-llnl_gamma 4.1
|
|
log_k 24.720 #05BRO/CUR
|
|
delta_h -11.200 #kJ/mol #05BRO/CUR
|
|
# Enthalpy of formation: -1625.75 #kJ/mol
|
|
-analytic 2.27578E+1 0E+0 5.85016E+2 0E+0 0E+0
|
|
|
|
4.000F- + 1.000Zr+4 = ZrF4
|
|
#-llnl_gamma 3.4
|
|
log_k 30.110 #05BRO/CUR
|
|
delta_h -22.000 #kJ/mol #05BRO/CUR
|
|
# Enthalpy of formation: -1971.9 #kJ/mol
|
|
-analytic 2.62558E+1 0E+0 1.14914E+3 0E+0 0E+0
|
|
|
|
5.000F- + 1.000Zr+4 = ZrF5-
|
|
#-llnl_gamma 3.6
|
|
log_k 34.600 #05BRO/CUR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.46E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
6.000F- + 1.000Zr+4 = ZrF6-2
|
|
#-llnl_gamma 4.7
|
|
log_k 38.110 #05BRO/CUR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.811E+1 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000NO3- + 1.000Zr+4 = ZrNO3+3
|
|
#-llnl_gamma 8.2
|
|
log_k 1.590 #05BRO/CUR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.59E+0 0E+0 0E+0 0E+0 0E+0
|
|
|
|
1.000SO4-2 + 1.000Zr+4 = ZrSO4+2
|
|
#-llnl_gamma 5.7
|
|
log_k 7.040 #05BRO/CUR
|
|
delta_h 36.940 #kJ/mol
|
|
# Enthalpy of formation: -1480.9 #kJ/mol #05BRO/CUR
|
|
-analytic 1.35116E+1 0E+0 -1.92951E+3 0E+0 0E+0
|
|
|
|
|
|
|
|
|
|
PHASES
|
|
|
|
(UO2)2(As2O7)(cr)
|
|
(UO2)2(As2O7) = 2.000UO2+2 + 2.000H+ + 2.000AsO4-3 - 1.000H2O
|
|
log_k -29.010
|
|
delta_h -102.450 #kJ/mol
|
|
# Enthalpy of formation: -3426 #kJ/mol #92GRE/FUG
|
|
-analytic -4.69584E+1 0E+0 5.35133E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
(UO2)3(AsO4)2(cr)
|
|
(UO2)3(AsO4)2 = 3.000UO2+2 + 2.000AsO4-3
|
|
log_k -27.400
|
|
delta_h -143.880 #kJ/mol
|
|
# Enthalpy of formation: -4689.4 #kJ/mol #92GRE/FUG
|
|
-analytic -5.26067E+1 0E+0 7.51536E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
(UO2)3(PO4)2(cr)
|
|
(UO2)3(PO4)2 = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)-
|
|
log_k 2.800
|
|
delta_h -170.900 #kJ/mol
|
|
# Enthalpy of formation: -5491.3 #kJ/mol #92GRE/FUG
|
|
-analytic -2.71404E+1 0E+0 8.92672E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
(UO2)3(PO4)2:4H2O(cr)
|
|
(UO2)3(PO4)2:4H2O = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)- + 4.000H2O
|
|
log_k -14.150 #92SAN/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.415E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
(UO2)3(PO4)2:6H2O(s)
|
|
(UO2)3(PO4)2:6H2O = 3.000UO2+2 - 4.000H+ + 2.000H2(PO4)- + 6.000H2O
|
|
log_k -10.200
|
|
delta_h -48.780 #kJ/mol
|
|
# Enthalpy of formation: -7328.4 #kJ/mol #03GUI/FAN
|
|
-analytic -1.87459E+1 0E+0 2.54795E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Acanthite
|
|
Ag2S = 2.000Ag+ - 1.000H+ + 1.000HS-
|
|
log_k -36.070
|
|
delta_h 224.768 #kJ/mol
|
|
# Enthalpy of formation: -29.488 #kJ/mol
|
|
-analytic 3.30761E+0 0E+0 -1.17404E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Acmite
|
|
NaFeSi2O6 = 1.000Na+ + 1.000Fe+3 - 4.000H+ + 2.000H4(SiO4) - 2.000H2O
|
|
log_k 0.910
|
|
delta_h -55.568 #kJ/mol
|
|
# Enthalpy of formation: -2584.5 #kJ/mol #95ROB/HEM
|
|
-analytic -8.82508E+0 0E+0 2.90251E+3 0E+0 0E+0
|
|
-Vm 64.6
|
|
|
|
Afwillite
|
|
Ca3Si2O4(OH)6 = 3.000Ca+2 - 6.000H+ + 2.000H4(SiO4) + 2.000H2O
|
|
log_k 49.420 #10BLA/BOU1
|
|
delta_h -269.228 #kJ/mol
|
|
# Enthalpy of formation: -4853.82 #kJ/mol #10BLA/BOU1
|
|
-analytic 2.25335E+0 0E+0 1.40627E+4 0E+0 0E+0
|
|
-Vm 129.53
|
|
|
|
Ag(OH)(s)
|
|
Ag(OH) = 1.000Ag+ - 1.000H+ + 1.000H2O
|
|
log_k 6.300 #76BAE/MES
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.3E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ag(SeCn)(cr)
|
|
Ag(SeCn) = 1.000Ag+ - 1.000H+ - 2.000e- + 1.000Cn- + 1.000HSe-
|
|
log_k -27.030
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.703E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ag(cr)
|
|
Ag = 1.000Ag+ + 1.000e-
|
|
log_k -13.510
|
|
delta_h 105.790 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #95SIL/BID
|
|
-analytic 5.02359E+0 0E+0 -5.52579E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ag2(CO3)(s)
|
|
Ag2(CO3) = 2.000Ag+ + 1.000CO3-2
|
|
log_k -11.050
|
|
delta_h 42.072 #kJ/mol
|
|
# Enthalpy of formation: -505.723 #kJ/mol
|
|
-analytic -3.67931E+0 0E+0 -2.19757E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ag2(MoO4)(s)
|
|
Ag2(MoO4) = 2.000Ag+ + 1.000MoO4-2
|
|
log_k -11.460
|
|
delta_h 55.324 #kJ/mol
|
|
# Enthalpy of formation: -840.744 #kJ/mol
|
|
-analytic -1.76767E+0 0E+0 -2.88977E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ag2(SO4)(s)
|
|
Ag2(SO4) = 2.000Ag+ + 1.000SO4-2
|
|
log_k -5.010
|
|
delta_h 18.163 #kJ/mol
|
|
# Enthalpy of formation: -715.922 #kJ/mol
|
|
-analytic -1.82798E+0 0E+0 -9.48718E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ag2(SeO3)(s)
|
|
Ag2(SeO3) = 2.000Ag+ + 1.000SeO3-2
|
|
log_k -15.800 #05OLI/NOL
|
|
delta_h 67.860 #kJ/mol
|
|
# Enthalpy of formation: -363.44 #kJ/mol #05OLI/NOL
|
|
-analytic -3.91146E+0 0E+0 -3.54457E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ag2(SeO4)(s)
|
|
Ag2(SeO4) = 2.000Ag+ + 1.000SeO4-2
|
|
log_k -7.860 #05OLI/NOL
|
|
delta_h 30.590 #kJ/mol
|
|
# Enthalpy of formation: -422.51 #kJ/mol #05OLI/NOL
|
|
-analytic -2.50087E+0 0E+0 -1.59782E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ag2Se(alfa)
|
|
Ag2Se = 2.000Ag+ - 1.000H+ + 1.000HSe-
|
|
log_k -42.850
|
|
delta_h 266.009 #kJ/mol
|
|
# Enthalpy of formation: -40.129 #kJ/mol
|
|
-analytic 3.75271E+0 0E+0 -1.38946E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ag3(PO4)(s)
|
|
Ag3(PO4) = 3.000Ag+ - 2.000H+ + 1.000H2(PO4)-
|
|
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
|
|
# -Vm 0
|
|
|
|
AgBr(s)
|
|
AgBr = 1.000Ag+ + 1.000Br-
|
|
log_k -12.290
|
|
delta_h 84.726 #kJ/mol
|
|
# Enthalpy of formation: -100.345 #kJ/mol
|
|
-analytic 2.55334E+0 0E+0 -4.42554E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
AgCl(cr)
|
|
AgCl = 1.000Ag+ + 1.000Cl-
|
|
log_k -9.750
|
|
delta_h 65.720 #kJ/mol
|
|
# Enthalpy of formation: -127.01 #kJ/mol #92GRE/FUG
|
|
-analytic 1.76363E+0 0E+0 -3.43279E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
AgI(s)
|
|
AgI = 1.000Ag+ + 1.000I-
|
|
log_k -16.040
|
|
delta_h 110.764 #kJ/mol
|
|
# Enthalpy of formation: -61.754 #kJ/mol
|
|
-analytic 3.36499E+0 0E+0 -5.7856E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Al(PO4)(cr)
|
|
Al(PO4) = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)-
|
|
log_k -3.620
|
|
delta_h -18.200 #kJ/mol
|
|
# Enthalpy of formation: -1822.8 #kJ/mol #03-91 MINTEQL-PSI
|
|
-analytic -6.8085E+0 0E+0 9.50651E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Al(PO4):2H2O(s)
|
|
Al(PO4):2H2O = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)- + 2.000H2O
|
|
log_k -2.510 #620BRG91.025 ANDRA 21.10.94
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.51E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Al(cr)
|
|
Al = 1.000Al+3 + 3.000e-
|
|
log_k 85.430
|
|
delta_h -538.400 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #95POK/HEL
|
|
-analytic -8.89349E+0 0E+0 2.81225E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Al2(OH)(PO4)2(s)
|
|
Al2(OH)(PO4)2 = 2.000Al+3 - 5.000H+ - 1.000e- + 2.000H2(PO4)- + 1.000H2O
|
|
log_k -15.880 #620BRG91.025 ANDRA 21.10.94
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.588E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Alabandite
|
|
MnS = 1.000Mn+2 - 1.000H+ + 1.000HS-
|
|
log_k 0.900 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9E-1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Alamosite
|
|
PbSiO3 = 1.000Pb+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O
|
|
log_k 6.170
|
|
delta_h -29.451 #kJ/mol
|
|
# Enthalpy of formation: -1144.993 #kJ/mol #98CHA
|
|
-analytic 1.01041E+0 0E+0 1.53833E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Albite-high
|
|
NaAlSi3O8 = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O
|
|
log_k 4.140
|
|
delta_h -95.622 #kJ/mol
|
|
# Enthalpy of formation: -3923.38 #kJ/mol #99ARN/STE
|
|
-analytic -1.26122E+1 0E+0 4.99468E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Albite-low
|
|
NaAlSi3O8 = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O
|
|
log_k 2.740
|
|
delta_h -82.812 #kJ/mol
|
|
# Enthalpy of formation: -3936.19 #kJ/mol #99ARN/STE
|
|
-analytic -1.1768E+1 0E+0 4.32557E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Am(CO3)(OH)(am)
|
|
Am(CO3)(OH) = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.000H2O
|
|
log_k -6.200 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.2E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Am(CO3)(OH)(cr)
|
|
Am(CO3)(OH) = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.000H2O
|
|
log_k -11.510
|
|
delta_h -25.260 #kJ/mol
|
|
# Enthalpy of formation: -1552.5 #kJ/mol #05ROR/FUG
|
|
-analytic -1.59354E+1 0E+0 1.31942E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Am(CO3)(OH):0.5H2O(cr)
|
|
Am(CO3)(OH):0.5H2O = - 1.000H+ + 1.000Am+3 + 1.000CO3-2 + 1.500H2O
|
|
log_k -8.400 #03GUI/FAN
|
|
delta_h -37.775 #kJ/mol
|
|
# Enthalpy of formation: -1682.9 #kJ/mol #03GUI/FAN
|
|
-analytic -1.50179E+1 0E+0 1.97312E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Am(CO3)2Na:5H2O(s)
|
|
Am(CO3)2Na:5H2O = 1.000Na+ + 1.000Am+3 + 2.000CO3-2 + 5.000H2O
|
|
log_k -21.000 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Am(OH)3(am)
|
|
Am(OH)3 = - 3.000H+ + 1.000Am+3 + 3.000H2O
|
|
log_k 16.900 #03GUI/FAN, 83RAI/STR, 83EDE/BUC, 85NIT/EDE
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.69E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Am(OH)3(cr)
|
|
Am(OH)3 = - 3.000H+ + 1.000Am+3 + 3.000H2O
|
|
log_k 15.600 #03GUI/FAN, 82SIL, 88STA/KIM1
|
|
delta_h -120.992 #kJ/mol
|
|
# Enthalpy of formation: -1353.198 #kJ/mol
|
|
-analytic -5.59686E+0 0E+0 6.31984E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Am(PO4):xH2O(am)
|
|
Am(PO4) = - 2.000H+ + 1.000Am+3 + 1.000H2(PO4)-
|
|
log_k -5.230 #95SIL/BID
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.23E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Am(cr)
|
|
Am = 1.000Am+3 + 3.000e-
|
|
log_k 104.890
|
|
delta_h -616.700 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #95SIL/BID
|
|
-analytic -3.15104E+0 0E+0 3.22124E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Am2(CO3)3(cr)
|
|
Am2(CO3)3 = 2.000Am+3 + 3.000CO3-2
|
|
log_k -33.400 #95SIL/BID
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.34E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Am2O3(cr)
|
|
Am2O3 = - 6.000H+ + 2.000Am+3 + 3.000H2O
|
|
log_k 53.150
|
|
delta_h -400.490 #kJ/mol
|
|
# Enthalpy of formation: -1690.4 #kJ/mol #95SIL/BID
|
|
-analytic -1.70127E+1 0E+0 2.0919E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
AmBr3(cr)
|
|
AmBr3 = 1.000Am+3 + 3.000Br-
|
|
log_k 23.930
|
|
delta_h -176.930 #kJ/mol
|
|
# Enthalpy of formation: -804 #kJ/mol #03GUI/FAN
|
|
-analytic -7.06676E+0 0E+0 9.24168E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
AmCl3(cr)
|
|
AmCl3 = 1.000Am+3 + 3.000Cl-
|
|
log_k 15.290
|
|
delta_h -140.140 #kJ/mol
|
|
# Enthalpy of formation: -977.8 #kJ/mol #95SIL/BID
|
|
-analytic -9.26144E+0 0E+0 7.32001E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
AmCl6Cs2Na(cr)
|
|
AmCl6Cs2Na = 1.000Na+ + 2.000Cs+ + 1.000Am+3 + 6.000Cl-
|
|
log_k 12.560
|
|
delta_h -59.720 #kJ/mol
|
|
# Enthalpy of formation: -2315.8 #kJ/mol #03GUI/FAN
|
|
-analytic 2.09752E+0 0E+0 3.11939E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
AmF3(cr)
|
|
AmF3 = 1.000Am+3 + 3.000F-
|
|
log_k -13.400
|
|
delta_h -28.750 #kJ/mol
|
|
# Enthalpy of formation: -1594 #kJ/mol #03GUI/FAN
|
|
-analytic -1.84368E+1 0E+0 1.50171E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
AmI3(cr)
|
|
AmI3 = 1.000Am+3 + 3.000I-
|
|
log_k 25.300
|
|
delta_h -172.040 #kJ/mol
|
|
# Enthalpy of formation: -615 #kJ/mol #03GUI/FAN
|
|
-analytic -4.84007E+0 0E+0 8.98626E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
AmO2(cr)
|
|
AmO2 = - 4.000H+ + 1.000Am+3 - 1.000e- + 2.000H2O
|
|
log_k 34.210
|
|
delta_h -256.160 #kJ/mol
|
|
# Enthalpy of formation: -932.2 #kJ/mol #95SIL/BID
|
|
-analytic -1.06672E+1 0E+0 1.33801E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
AmO2OH(am)
|
|
AmO2OH = - 1.000H+ + 1.000AmO2+ + 1.000H2O
|
|
log_k 5.300 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.3E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
AmOBr(cr)
|
|
AmOBr = - 2.000H+ + 1.000Am+3 + 1.000Br- + 1.000H2O
|
|
log_k 15.980
|
|
delta_h -136.940 #kJ/mol
|
|
# Enthalpy of formation: -887 #kJ/mol #03GUI/FAN
|
|
-analytic -8.01082E+0 0E+0 7.15286E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
AmOCl(cr)
|
|
AmOCl = - 2.000H+ + 1.000Am+3 + 1.000Cl- + 1.000H2O
|
|
log_k 12.260
|
|
delta_h -119.810 #kJ/mol
|
|
# Enthalpy of formation: -949.8 #kJ/mol #95SIL/BID
|
|
-analytic -8.72978E+0 0E+0 6.2581E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Amesite
|
|
Mg4Al4Si2O10(OH)8 = 4.000Mg+2 + 4.000Al+3 - 20.000H+ + 2.000H4(SiO4) + 10.000H2O
|
|
log_k 69.390
|
|
delta_h -766.388 #kJ/mol
|
|
# Enthalpy of formation: -9035.9 #kJ/mol #05VID/PAR
|
|
-analytic -6.48752E+1 0E+0 4.00312E+4 0E+0 0E+0
|
|
-Vm 205.2
|
|
|
|
Amesite-Fe
|
|
Fe4Al4Si2O10(OH)8 = 4.000Fe+2 + 4.000Al+3 - 20.000H+ + 2.000H4(SiO4) + 10.000H2O
|
|
log_k 57.020
|
|
delta_h -686.828 #kJ/mol
|
|
# Enthalpy of formation: -7607.46 #kJ/mol #05VID/PAR
|
|
-analytic -6.33069E+1 0E+0 3.58755E+4 0E+0 0E+0
|
|
-Vm 209
|
|
|
|
Analcime
|
|
Na0.99Al0.99Si2.01O6:H2O = 0.990Na+ + 0.990Al+3 - 3.960H+ + 2.010H4(SiO4) - 1.040H2O
|
|
log_k 6.640
|
|
delta_h -102.689 #kJ/mol
|
|
# Enthalpy of formation: -3308 #kJ/mol #04NEU/HOV
|
|
-analytic -1.13503E+1 0E+0 5.36381E+3 0E+0 0E+0
|
|
-Vm 97.09
|
|
|
|
Anapaite
|
|
Ca2Fe(PO4)2:4H2O = 2.000Ca+2 + 1.000Fe+2 - 4.000H+ + 2.000H2(PO4)- + 4.000H2O
|
|
log_k 5.020 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.02E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Anglesite
|
|
Pb(SO4) = 1.000Pb+2 + 1.000SO4-2
|
|
log_k -7.850
|
|
delta_h 11.550 #kJ/mol
|
|
# Enthalpy of formation: -919.97 #kJ/mol #89COX/WAG
|
|
-analytic -5.82653E+0 0E+0 -6.03298E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Anhydrite
|
|
Ca(SO4) = 1.000Ca+2 + 1.000SO4-2
|
|
log_k -4.440
|
|
delta_h -17.940 #kJ/mol
|
|
# Enthalpy of formation: -1434.4 #kJ/mol #95ROB/HEM
|
|
-analytic -7.58295E+0 0E+0 9.3707E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Annite
|
|
KFe3Si3AlO10(OH)2 = 1.000K+ + 3.000Fe+2 + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4)
|
|
log_k 32.760
|
|
delta_h -313.152 #kJ/mol
|
|
# Enthalpy of formation: -5130.97 #kJ/mol #95DAC/BEN
|
|
-analytic -2.21018E+1 0E+0 1.6357E+4 0E+0 0E+0
|
|
-Vm 154.3
|
|
|
|
Anorthite
|
|
CaAl2Si2O8 = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 2.000H4(SiO4)
|
|
log_k 25.310
|
|
delta_h -314.358 #kJ/mol
|
|
# Enthalpy of formation: -4227.83 #kJ/mol #99ARN/STE
|
|
-analytic -2.97631E+1 0E+0 1.642E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Antarcticite
|
|
CaCl2:6H2O = 1.000Ca+2 + 2.000Cl- + 6.000H2O
|
|
log_k 3.940
|
|
delta_h 13.990 #kJ/mol
|
|
# Enthalpy of formation: -2606.13 #kJ/mol #87GAR/PAR
|
|
-analytic 6.39094E+0 0E+0 -7.30748E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Antigorite
|
|
Mg48Si34O85(OH)62 = 48.000Mg+2 - 96.000H+ + 34.000H4(SiO4) + 11.000H2O
|
|
log_k 499.890
|
|
delta_h -3822.746 #kJ/mol
|
|
# Enthalpy of formation: -71417.98 #kJ/mol #98HOL/POW
|
|
-analytic -1.69825E+2 0E+0 1.99676E+5 0E+0 0E+0
|
|
-Vm 1754.8
|
|
|
|
Aragonite
|
|
CaCO3 = 1.000Ca+2 + 1.000CO3-2
|
|
log_k -8.310
|
|
delta_h -10.454 #kJ/mol
|
|
# Enthalpy of formation: -1207.776 #kJ/mol #87GAR/PAR
|
|
-analytic -1.01415E+1 0E+0 5.4605E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Arcanite
|
|
K2SO4 = 2.000K+ + 1.000SO4-2
|
|
log_k -1.850
|
|
delta_h 24.080 #kJ/mol
|
|
# Enthalpy of formation: -1437.7 #kJ/mol #95ROB/HEM
|
|
-analytic 2.36863E+0 0E+0 -1.25778E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Artinite
|
|
Mg2(CO3)(OH)2:3H2O = 2.000Mg+2 - 2.000H+ + 1.000CO3-2 + 5.000H2O
|
|
log_k 9.810
|
|
delta_h -117.780 #kJ/mol
|
|
# Enthalpy of formation: -2920.6 #kJ/mol #73HEM/ROB
|
|
-analytic -1.08241E+1 0E+0 6.15207E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
As(cr)
|
|
As = 8.000H+ + 5.000e- + 1.000AsO4-3 - 4.000H2O
|
|
log_k -52.590
|
|
delta_h 255.180 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #09RAN/FUG
|
|
-analytic -7.88445E+0 0E+0 -1.3329E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
As2O5(s)
|
|
As2O5 = 6.000H+ + 2.000AsO4-3 - 3.000H2O
|
|
log_k -35.340
|
|
delta_h 10.640 #kJ/mol
|
|
# Enthalpy of formation: -929.43 #kJ/mol #65BEE/MOR
|
|
-analytic -3.3476E+1 0E+0 -5.55765E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
B(OH)3(cr)
|
|
B(OH)3 = 1.000H+ + 1.000B(OH)4- - 1.000H2O
|
|
log_k -9.310
|
|
delta_h 35.514 #kJ/mol
|
|
# Enthalpy of formation: -1094.8 #kJ/mol #01LEM/FUG
|
|
-analytic -3.08822E+0 0E+0 -1.85502E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
B(cr)
|
|
B = 4.000H+ + 3.000e- + 1.000B(OH)4- - 4.000H2O
|
|
log_k 35.930
|
|
delta_h -201.796 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #92GRE/FUG
|
|
-analytic 5.7691E-1 0E+0 1.05405E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
B2O3(am)
|
|
B2O3 = 2.000H+ + 2.000B(OH)4- - 5.000H2O
|
|
log_k -10.630
|
|
delta_h -6.712 #kJ/mol
|
|
# Enthalpy of formation: -1254.371 #kJ/mol
|
|
-analytic -1.18059E+1 0E+0 3.50592E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
B2O3(cr)
|
|
B2O3 = 2.000H+ + 2.000B(OH)4- - 5.000H2O
|
|
log_k -12.740
|
|
delta_h 12.418 #kJ/mol
|
|
# Enthalpy of formation: -1273.5 #kJ/mol #01LEM/FUG
|
|
-analytic -1.05645E+1 0E+0 -6.48636E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ba(OH)2:8H2O(cr)
|
|
Ba(OH)2:8H2O = 1.000Ba+2 - 2.000H+ + 10.000H2O
|
|
log_k 23.870
|
|
delta_h -52.506 #kJ/mol
|
|
# Enthalpy of formation: -3340.591 #kJ/mol
|
|
-analytic 1.46714E+1 0E+0 2.74258E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ba(SeO3)(s)
|
|
Ba(SeO3) = 1.000Ba+2 + 1.000SeO3-2
|
|
log_k -6.500 #05OLI/NOL
|
|
delta_h -5.260 #kJ/mol
|
|
# Enthalpy of formation: -1036.7 #kJ/mol #05OLI/NOL
|
|
-analytic -7.42151E+0 0E+0 2.74749E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ba(SeO4)(cr)
|
|
Ba(SeO4) = 1.000Ba+2 + 1.000SeO4-2
|
|
log_k -7.560 #05OLI/NOL
|
|
delta_h 5.700 #kJ/mol
|
|
# Enthalpy of formation: -1144 #kJ/mol #05OLI/NOL
|
|
-analytic -6.5614E+0 0E+0 -2.97731E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ba(cr)
|
|
Ba = 1.000Ba+2 + 2.000e-
|
|
log_k 97.700
|
|
delta_h -534.800 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #92GRE/FUG
|
|
-analytic 4.0072E+0 0E+0 2.79345E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
BaCl2(cr)
|
|
BaCl2 = 1.000Ba+2 + 2.000Cl-
|
|
log_k 2.300
|
|
delta_h -13.760 #kJ/mol
|
|
# Enthalpy of formation: -855.2 #kJ/mol #95SIL/BID
|
|
-analytic -1.10645E-1 0E+0 7.18734E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
BaCl2:2H2O(s)
|
|
BaCl2:2H2O = 1.000Ba+2 + 2.000Cl- + 2.000H2O
|
|
log_k -0.340
|
|
delta_h 19.420 #kJ/mol
|
|
# Enthalpy of formation: -1460.038 #kJ/mol
|
|
-analytic 3.06223E+0 0E+0 -1.01438E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
BaCl2:H2O(s)
|
|
BaCl2:H2O = 1.000Ba+2 + 2.000Cl- + 1.000H2O
|
|
log_k 0.280
|
|
delta_h 5.747 #kJ/mol
|
|
# Enthalpy of formation: -1160.536 #kJ/mol
|
|
-analytic 1.28683E+0 0E+0 -3.00186E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
BaF2(cr)
|
|
BaF2 = 1.000Ba+2 + 2.000F-
|
|
log_k -6.320
|
|
delta_h 1.644 #kJ/mol
|
|
# Enthalpy of formation: -1207.143 #kJ/mol
|
|
-analytic -6.03198E+0 0E+0 -8.5872E+1 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
BaHPO4(s)
|
|
BaHPO4 = 1.000Ba+2 - 1.000H+ + 1.000H2(PO4)-
|
|
log_k -0.190 #66SPI/MIK in 76SMI/MAR
|
|
delta_h -22.800 #kJ/mol
|
|
# Enthalpy of formation: -1814.6 #kJ/mol #82WAG/EVA
|
|
-analytic -4.18438E+0 0E+0 1.19093E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
BaMoO4(s)
|
|
BaMoO4 = 1.000Ba+2 + 1.000MoO4-2
|
|
log_k -7.830
|
|
delta_h 13.779 #kJ/mol
|
|
# Enthalpy of formation: -1545.578 #kJ/mol
|
|
-analytic -5.41603E+0 0E+0 -7.19726E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
BaO(cr)
|
|
BaO = 1.000Ba+2 - 2.000H+ + 1.000H2O
|
|
log_k 48.070
|
|
delta_h -272.530 #kJ/mol
|
|
# Enthalpy of formation: -548.1 #kJ/mol #95SIL/BID
|
|
-analytic 3.24864E-1 0E+0 1.42352E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
BaS(s)
|
|
BaS = 1.000Ba+2 - 1.000H+ + 1.000HS-
|
|
log_k 15.660
|
|
delta_h -90.248 #kJ/mol
|
|
# Enthalpy of formation: -460.852 #kJ/mol
|
|
-analytic -1.50748E-1 0E+0 4.71397E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Barite
|
|
Ba(SO4) = 1.000Ba+2 + 1.000SO4-2
|
|
log_k -9.970 #85LAN/MEL in 90NOR/PLU
|
|
delta_h 26.460 #kJ/mol #85LAN/MEL in 90NOR/PLU
|
|
# Enthalpy of formation: -1470.6 #kJ/mol
|
|
-analytic -5.33441E+0 0E+0 -1.3821E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Bassanite
|
|
CaSO4:0.5H2O = 1.000Ca+2 + 1.000SO4-2 + 0.500H2O
|
|
log_k -3.920 #06BLA/PIA
|
|
delta_h -17.358 #kJ/mol
|
|
# Enthalpy of formation: -1577.897 #kJ/mol
|
|
-analytic -6.96099E+0 0E+0 9.0667E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Bassetite
|
|
Fe(UO2)2(PO4)2 = 1.000Fe+2 + 2.000UO2+2 - 4.000H+ + 2.000H2(PO4)-
|
|
log_k -1.070 #65MUT/HIR
|
|
delta_h -36.469 #kJ/mol
|
|
# Enthalpy of formation: -4696.731 #kJ/mol
|
|
-analytic -7.45909E+0 0E+0 1.90491E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Becquerelite(nat)
|
|
Ca(UO2)6O4(OH)6:8H2O = 1.000Ca+2 + 6.000UO2+2 - 14.000H+ + 18.000H2O
|
|
log_k 29.000 #97CAS/BRU
|
|
delta_h -378.310 #kJ/mol
|
|
# Enthalpy of formation: -11423.63 #kJ/mol #99CHE/EWI
|
|
-analytic -3.7277E+1 0E+0 1.97605E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Becquerelite(syn)
|
|
Ca(UO2)6O4(OH)6:8H2O = 1.000Ca+2 + 6.000UO2+2 - 14.000H+ + 18.000H2O
|
|
log_k 40.500 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.05E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Beidellite-Ca
|
|
Ca0.17Al2.34Si3.66O10(OH)2 = 0.170Ca+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
|
|
log_k 5.770
|
|
delta_h -207.635 #kJ/mol
|
|
# Enthalpy of formation: -5737.91 #kJ/mol #15BLA/VIE
|
|
-analytic -3.0606E+1 0E+0 1.08455E+4 0E+0 0E+0
|
|
-Vm 134.1
|
|
|
|
Beidellite-K
|
|
K0.34Al2.34Si3.66O10(OH)2 = 0.340K+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
|
|
log_k 4.600
|
|
delta_h -189.102 #kJ/mol
|
|
# Enthalpy of formation: -5749.86 #kJ/mol #15BLA/VIE
|
|
-analytic -2.85292E+1 0E+0 9.87747E+3 0E+0 0E+0
|
|
-Vm 133.22
|
|
|
|
Beidellite-Mg
|
|
Mg0.17Al2.34Si3.66O10(OH)2 = 0.170Mg+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
|
|
log_k 5.230
|
|
delta_h -208.815 #kJ/mol
|
|
# Enthalpy of formation: -5723.81 #kJ/mol #15BLA/VIE
|
|
-analytic -3.13528E+1 0E+0 1.09072E+4 0E+0 0E+0
|
|
-Vm 130.11
|
|
|
|
Beidellite-Na
|
|
Na0.34Al2.34Si3.66O10(OH)2 = 0.340Na+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
|
|
log_k 5.100
|
|
delta_h -197.720 #kJ/mol
|
|
# Enthalpy of formation: -5737.23 #kJ/mol #15BLA/VIE
|
|
-analytic -2.9539E+1 0E+0 1.03276E+4 0E+0 0E+0
|
|
-Vm 132.49
|
|
|
|
Beidellite_SBld-1
|
|
Ca0.185K0.104(Si3.574Al0.426)(Al1.812Mg0.090Fe0.112)O10(OH)2 = 0.185Ca+2 + 0.090Mg+2 + 0.104K+ + 0.112Fe+3 + 2.238Al+3 - 7.704H+ + 3.574H4(SiO4) - 2.296H2O
|
|
log_k 7.580
|
|
delta_h -224.486 #kJ/mol
|
|
# Enthalpy of formation: -5720.69 #kJ/mol #12GAI/BLA
|
|
-analytic -3.17482E+1 0E+0 1.17257E+4 0E+0 0E+0
|
|
-Vm 137.98
|
|
|
|
Beidellite_SBld-1(4.576H2O)
|
|
Ca0.185K0.104Si3.574Al2.238Mg0.090Fe0.112O10(OH)2:4.576H2O = 0.185Ca+2 + 0.090Mg+2 + 0.104K+ + 0.112Fe+3 + 2.238Al+3 - 7.704H+ + 3.574H4(SiO4) + 2.280H2O
|
|
log_k 4.260
|
|
delta_h -193.685 #kJ/mol
|
|
# Enthalpy of formation: -7059.45 #kJ/mol #12GAI/BLA
|
|
-analytic -2.96721E+1 0E+0 1.01169E+4 0E+0 0E+0
|
|
-Vm 220.67
|
|
|
|
Berlinite
|
|
Al(PO4) = 1.000Al+3 - 2.000H+ + 1.000H2(PO4)-
|
|
log_k -0.570 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.7E-1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Berndtite
|
|
SnS2 = 1.000Sn+4 - 2.000H+ + 2.000HS-
|
|
log_k -37.560
|
|
delta_h 87.389 #kJ/mol
|
|
# Enthalpy of formation: -151.5 #kJ/mol #12GAM/GAJ
|
|
-analytic -2.22501E+1 0E+0 -4.56464E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Berthierine(FeII)
|
|
(Fe2Al)(SiAl)O5(OH)4 = 2.000Fe+2 + 2.000Al+3 - 10.000H+ + 1.000H4(SiO4) + 5.000H2O
|
|
log_k 34.570
|
|
delta_h -376.684 #kJ/mol
|
|
# Enthalpy of formation: -3770.46 #kJ/mol #15BLA/VIE
|
|
-analytic -3.14221E+1 0E+0 1.96755E+4 0E+0 0E+0
|
|
-Vm 103.86
|
|
|
|
Berthierine(FeIII)
|
|
(Fe2.34Fe0.33Al0.33)(Si1.34Al0.66)O5(OH)4 = 0.330Fe+3 + 2.340Fe+2 + 0.990Al+3 - 8.640H+ + 1.340H4(SiO4) + 3.640H2O
|
|
log_k 28.810
|
|
delta_h -300.177 #kJ/mol
|
|
# Enthalpy of formation: -3458.03 #kJ/mol #15BLA/VIE
|
|
-analytic -2.37787E+1 0E+0 1.56793E+4 0E+0 0E+0
|
|
-Vm 103.27
|
|
|
|
Berthierine_ISGS
|
|
(Si1.332Al0.668)(Al0.976Fe0.182Fe1.44Mg0.157)O5(OH)4 = 0.157Mg+2 + 0.182Fe+3 + 1.440Fe+2 + 1.644Al+3 - 8.672H+ + 1.332H4(SiO4) + 3.672H2O
|
|
log_k 27.910
|
|
delta_h -318.385 #kJ/mol
|
|
# Enthalpy of formation: -3774.46 #kJ/mol #13BLA/GAI2
|
|
-analytic -2.78686E+1 0E+0 1.66304E+4 0E+0 0E+0
|
|
-Vm 101.16
|
|
|
|
Berthierine_Lorraine
|
|
Fe0.608Fe0.936Mg0.37Al1.052Si1.52O5(OH)4 = 0.370Mg+2 + 0.936Fe+3 + 0.608Fe+2 + 1.052Al+3 - 7.920H+ + 1.520H4(SiO4) + 2.920H2O
|
|
log_k 1.020
|
|
delta_h -162.509 #kJ/mol
|
|
# Enthalpy of formation: -3732.9 #kJ/mol #08GAI
|
|
-analytic -2.74503E+1 0E+0 8.48842E+3 0E+0 0E+0
|
|
-Vm 103.8
|
|
|
|
Bieberite
|
|
CoSO4:7H2O = 1.000Co+2 + 1.000SO4-2 + 7.000H2O
|
|
log_k -2.350
|
|
delta_h 11.840 #kJ/mol
|
|
# Enthalpy of formation: -2979.59 #kJ/mol #74NAU/RYZ
|
|
-analytic -2.75724E-1 0E+0 -6.18445E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Bischofite
|
|
MgCl2:6H2O = 1.000Mg+2 + 2.000Cl- + 6.000H2O
|
|
log_k 4.460 #84HAR/MOL
|
|
delta_h -8.710 #kJ/mol
|
|
# Enthalpy of formation: -2507.43 #kJ/mol #84HAR/MOL
|
|
-analytic 2.93408E+0 0E+0 4.54954E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Bloedite
|
|
Na2Mg(SO4)2:4H2O = 1.000Mg+2 + 2.000Na+ + 2.000SO4-2 + 4.000H2O
|
|
log_k -2.350 #84HAR/MOL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.35E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Boehmite
|
|
AlO(OH) = 1.000Al+3 - 3.000H+ + 2.000H2O
|
|
log_k 7.620
|
|
delta_h -113.660 #kJ/mol
|
|
# Enthalpy of formation: -996.4 #kJ/mol #95ROB/HEM
|
|
-analytic -1.22923E+1 0E+0 5.93687E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Br2(l)
|
|
Br2 = - 2.000e- + 2.000Br-
|
|
log_k 36.390
|
|
delta_h -242.820 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
|
|
-analytic -6.15018E+0 0E+0 1.26834E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Brucite
|
|
Mg(OH)2 = 1.000Mg+2 - 2.000H+ + 2.000H2O
|
|
log_k 17.100 #03ALT/MET
|
|
delta_h -114.160 #kJ/mol
|
|
# Enthalpy of formation: -924.5 #kJ/mol #95ROB/HEM
|
|
-analytic -2.89994E+0 0E+0 5.96298E+3 0E+0 0E+0
|
|
-Vm 23.63
|
|
|
|
Brushite
|
|
Ca(HPO4):2H2O = 1.000Ca+2 - 1.000H+ + 1.000H2(PO4)- + 2.000H2O
|
|
log_k 0.600 #84NAN
|
|
delta_h -7.375 #kJ/mol
|
|
# Enthalpy of formation: -2409.884 #kJ/mol
|
|
-analytic -6.92043E-1 0E+0 3.85223E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Bunsenite
|
|
NiO = 1.000Ni+2 - 2.000H+ + 1.000H2O
|
|
log_k 12.480
|
|
delta_h -101.142 #kJ/mol
|
|
# Enthalpy of formation: -239.7 #kJ/mol #05GAM/BUG
|
|
-analytic -5.23929E+0 0E+0 5.28301E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Burkeite
|
|
Na6(CO3)(SO4)2 = 6.000Na+ + 1.000CO3-2 + 2.000SO4-2
|
|
log_k -0.770 #84HAR/MOL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -7.7E-1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
C(cr)
|
|
C = 6.000H+ + 4.000e- + 1.000CO3-2 - 3.000H2O
|
|
log_k -32.150
|
|
delta_h 182.260 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
|
|
-analytic -2.19466E-1 0E+0 -9.52009E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
C2SH(alpha)
|
|
Ca2(HSiO4)(OH) = 2.000Ca+2 - 4.000H+ + 1.000H4(SiO4) + 1.000H2O
|
|
log_k 35.540
|
|
delta_h -198.104 #kJ/mol
|
|
# Enthalpy of formation: -2634.92 #kJ/mol #10BLA/BOU1
|
|
-analytic 8.3372E-1 0E+0 1.03477E+4 0E+0 0E+0
|
|
-Vm 71.12
|
|
|
|
C3AH6
|
|
Ca3Al2(OH)12 = 3.000Ca+2 + 2.000Al+3 - 12.000H+ + 12.000H2O
|
|
log_k 80.320 #10BLA/BOU2
|
|
delta_h -584.260 #kJ/mol
|
|
# Enthalpy of formation: -5551.5 #kJ/mol #99SCH/NAV
|
|
-analytic -2.20378E+1 0E+0 3.0518E+4 0E+0 0E+0
|
|
-Vm 149.52
|
|
|
|
C3FH6
|
|
Ca3Fe2(OH)12 = 3.000Ca+2 + 2.000Fe+3 - 12.000H+ + 12.000H2O
|
|
log_k 72.370
|
|
delta_h -509.370 #kJ/mol
|
|
# Enthalpy of formation: -4647.59 #kJ/mol #10BLA/BOU2
|
|
-analytic -1.68677E+1 0E+0 2.66062E+4 0E+0 0E+0
|
|
-Vm 154.5
|
|
|
|
C4AH13
|
|
Ca4Al2(OH)14:6H2O = 4.000Ca+2 + 2.000Al+3 - 14.000H+ + 20.000H2O
|
|
log_k 103.650 #10BLA/BOU2
|
|
delta_h -647.400 #kJ/mol
|
|
# Enthalpy of formation: -8318 #kJ/mol #76HOU/STE
|
|
-analytic -9.76944E+0 0E+0 3.3816E+4 0E+0 0E+0
|
|
-Vm 269.2
|
|
|
|
C4FH13
|
|
Ca4Fe2(OH)14:6H2O = 4.000Ca+2 + 2.000Fe+3 - 14.000H+ + 20.000H2O
|
|
log_k 95.120
|
|
delta_h -569.200 #kJ/mol
|
|
# Enthalpy of formation: -7417.4 #kJ/mol #10BLA/BOU2
|
|
-analytic -4.59941E+0 0E+0 2.97313E+4 0E+0 0E+0
|
|
-Vm 274.4
|
|
|
|
CSH0.8
|
|
Ca0.8SiO2.8:1.54H2O = 0.800Ca+2 - 1.600H+ + 1.000H4(SiO4) + 0.340H2O
|
|
log_k 11.050 #10BLA/BOU1
|
|
delta_h -47.646 #kJ/mol
|
|
# Enthalpy of formation: -1945.13 #kJ/mol #10BLA/BOU1
|
|
-analytic 2.70279E+0 0E+0 2.48872E+3 0E+0 0E+0
|
|
-Vm 59.29
|
|
|
|
CSH1.2
|
|
Ca1.2SiO3.2:2.06H2O = 1.200Ca+2 - 2.400H+ + 1.000H4(SiO4) + 1.260H2O
|
|
log_k 19.300 #10BLA/BOU1
|
|
delta_h -88.600 #kJ/mol
|
|
# Enthalpy of formation: -2384.34 #kJ/mol #10BLA/BOU1
|
|
-analytic 3.77797E+0 0E+0 4.62789E+3 0E+0 0E+0
|
|
-Vm 71.95
|
|
|
|
CSH1.6
|
|
Ca1.6SiO3.6:2.58H2O = 1.600Ca+2 - 3.200H+ + 1.000H4(SiO4) + 2.180H2O
|
|
log_k 28.000 #10BLA/BOU1
|
|
delta_h -133.313 #kJ/mol
|
|
# Enthalpy of formation: -2819.79 #kJ/mol #10BLA/BOU1
|
|
-analytic 4.6446E+0 0E+0 6.96341E+3 0E+0 0E+0
|
|
-Vm 84.68
|
|
|
|
Ca(Adipate)(s)
|
|
Ca(Adipate) = 1.000Ca+2 + 1.000Adipate-2
|
|
log_k -3.300 #12GRI/GAR2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.3E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca(HGlu)2(s)
|
|
Ca(HGlu)2 = 1.000Ca+2 + 2.000HGlu-
|
|
log_k -4.190 #99VAN/GLA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.19E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca(HIsa)2(cr)
|
|
Ca(HIsa)2 = 1.000Ca+2 + 2.000HIsa-
|
|
log_k -6.400 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.4E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca(HPO4)(s)
|
|
Ca(HPO4) = 1.000Ca+2 - 1.000H+ + 1.000H2(PO4)-
|
|
log_k 0.300 #84NAN
|
|
delta_h -24.098 #kJ/mol
|
|
# Enthalpy of formation: -1821.502 #kJ/mol
|
|
-analytic -3.92178E+0 0E+0 1.25872E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca(NO3)2(s)
|
|
Ca(NO3)2 = 1.000Ca+2 + 2.000NO3-
|
|
log_k 5.890 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.89E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca(Ox):2H2O(s)
|
|
Ca(Ox):2H2O = 1.000Ca+2 + 1.000Ox-2 + 2.000H2O
|
|
log_k -8.300 #05HUM/AND
|
|
delta_h 25.200 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -1970.52 #kJ/mol
|
|
-analytic -3.88516E+0 0E+0 -1.31629E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca(Ox):3H2O(s)
|
|
Ca(Ox):3H2O = 1.000Ca+2 + 1.000Ox-2 + 3.000H2O
|
|
log_k -8.190 #05HUM/AND
|
|
delta_h 29.700 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -2260.85 #kJ/mol
|
|
-analytic -2.98679E+0 0E+0 -1.55134E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca(Ox):H2O(s)
|
|
Ca(Ox):H2O = 1.000Ca+2 + 1.000Ox-2 + 1.000H2O
|
|
log_k -8.730 #05HUM/AND
|
|
delta_h 21.500 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -1680.99 #kJ/mol
|
|
-analytic -4.96337E+0 0E+0 -1.12302E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca(SO3)(s)
|
|
Ca(SO3) = 1.000Ca+2 + 1.000SO3-2
|
|
log_k -6.500 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92 (provient de la base 0391 MINEQL- PSY)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca(SeO3):H2O(s)
|
|
Ca(SeO3):H2O = 1.000Ca+2 + 1.000SeO3-2 + 1.000H2O
|
|
log_k -6.400 #05OLI/NOL
|
|
delta_h -11.190 #kJ/mol
|
|
# Enthalpy of formation: -1324.8 #kJ/mol #05OLI/NOL
|
|
-analytic -8.3604E+0 0E+0 5.84494E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca(SeO4):2H2O(s)
|
|
Ca(SeO4):2H2O = 1.000Ca+2 + 1.000SeO4-2 + 2.000H2O
|
|
log_k -2.680 #05OLI/NOL
|
|
delta_h -9.160 #kJ/mol
|
|
# Enthalpy of formation: -1709 #kJ/mol #05OLI/NOL
|
|
-analytic -4.28476E+0 0E+0 4.78459E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca(cr)
|
|
Ca = 1.000Ca+2 + 2.000e-
|
|
log_k 96.850
|
|
delta_h -543.000 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
|
|
-analytic 1.72062E+0 0E+0 2.83628E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca2(Pyrophos)(s)
|
|
Ca2(Pyrophos) = 2.000Ca+2 + 1.000Pyrophos-4
|
|
log_k -15.500 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.55E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca2Cl2(OH)2:H2O(s)
|
|
Ca2Cl2(OH)2:H2O = 2.000Ca+2 - 2.000H+ + 2.000Cl- + 3.000H2O
|
|
log_k 26.530 #84HAR/MOL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.653E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca2Fe2O5(s)
|
|
Ca2Fe2O5 = 2.000Ca+2 + 2.000Fe+3 - 10.000H+ + 5.000H2O
|
|
log_k 56.760
|
|
delta_h -474.850 #kJ/mol
|
|
# Enthalpy of formation: -2138.3 #kJ/mol #95ROB/HEM
|
|
-analytic -2.643E+1 0E+0 2.48031E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca2ZrSi3O12(cr)
|
|
Ca2ZrSi3O12 = 2.000Ca+2 - 12.000H+ - 4.000e- + 3.000H4(SiO4) + 1.000Zr+4
|
|
log_k -68.270
|
|
delta_h 204.918 #kJ/mol
|
|
# Enthalpy of formation: -6283 #kJ/mol #05BRO/CUR
|
|
-analytic -3.237E+1 0E+0 -1.07036E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca3(AsO4)2:xH2O
|
|
Ca3(AsO4)2 = 3.000Ca+2 + 2.000AsO4-3
|
|
log_k -21.000 #11GRI/COL4
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca3(Cit)2:4H2O(s)
|
|
Ca3(Cit)2:4H2O = 3.000Ca+2 + 2.000Cit-3 + 4.000H2O
|
|
log_k -17.900 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.79E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca3(PO4)2(alfa)
|
|
Ca3(PO4)2 = 3.000Ca+2 - 4.000H+ + 2.000H2(PO4)-
|
|
log_k 10.220 #84NAN
|
|
delta_h -125.300 #kJ/mol
|
|
# Enthalpy of formation: -4108.898 #kJ/mol
|
|
-analytic -1.17316E+1 0E+0 6.54487E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca3B2O6(s)
|
|
Ca3B2O6 = 3.000Ca+2 - 4.000H+ + 2.000B(OH)4- - 2.000H2O
|
|
log_k 40.580
|
|
delta_h -318.306 #kJ/mol
|
|
# Enthalpy of formation: -3429.266 #kJ/mol
|
|
-analytic -1.51847E+1 0E+0 1.66263E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca3ZrSi2O9(cr)
|
|
Ca3ZrSi2O9 = 3.000Ca+2 - 10.000H+ + 2.000H4(SiO4) + 1.000Zr+4 + 1.000H2O
|
|
log_k 47.870
|
|
delta_h -416.718 #kJ/mol
|
|
# Enthalpy of formation: -5029 #kJ/mol #05BRO/CUR
|
|
-analytic -2.51358E+1 0E+0 2.17667E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca4Al2O6(CrO4):15H2O(s)
|
|
Ca4Al2O6(CrO4):15H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000CrO4-2 + 21.000H2O
|
|
log_k 71.360 #01PER/PAL
|
|
delta_h -545.980 #kJ/mol #01PER/PAL
|
|
# Enthalpy of formation: -9584.25 #kJ/mol
|
|
-analytic -2.42914E+1 0E+0 2.85185E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca4Cl2(OH)6:13H2O(s)
|
|
Ca4Cl2(OH)6:13H2O = 4.000Ca+2 - 6.000H+ + 2.000Cl- + 19.000H2O
|
|
log_k 68.730 #84HAR/MOL
|
|
delta_h -271.930 #kJ/mol
|
|
# Enthalpy of formation: -7665 #kJ/mol #82WAG/EVA
|
|
-analytic 2.109E+1 0E+0 1.42039E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca4H(PO4)3:2.5H2O(s)
|
|
Ca4H(PO4)3:2.5H2O = 4.000Ca+2 - 5.000H+ + 3.000H2(PO4)- + 2.500H2O
|
|
log_k 11.810 #84NAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.181E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ca6(Al(OH)6)2(CrO4)3:26H2O(s)
|
|
Ca6(Al(OH)6)2(CrO4)3:26H2O = 6.000Ca+2 + 2.000Al+3 - 12.000H+ + 3.000CrO4-2 + 38.000H2O
|
|
log_k 60.280 #00PER/PAL
|
|
delta_h -509.590 #kJ/mol #00PER/PAL
|
|
# Enthalpy of formation: -17323.75 #kJ/mol
|
|
-analytic -2.89962E+1 0E+0 2.66177E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CaB2O4(s)
|
|
CaB2O4 = 1.000Ca+2 + 2.000B(OH)4- - 4.000H2O
|
|
log_k -2.180
|
|
delta_h -58.894 #kJ/mol
|
|
# Enthalpy of formation: -2031.019 #kJ/mol
|
|
-analytic -1.24978E+1 0E+0 3.07624E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CaB4O7(s)
|
|
CaB4O7 = 1.000Ca+2 + 2.000H+ + 4.000B(OH)4- - 9.000H2O
|
|
log_k -23.440
|
|
delta_h 9.371 #kJ/mol
|
|
# Enthalpy of formation: -3360.367 #kJ/mol
|
|
-analytic -2.17983E+1 0E+0 -4.89481E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CaCO3:H2O(s)
|
|
CaCO3:H2O = 1.000Ca+2 + 1.000CO3-2 + 1.000H2O
|
|
log_k -7.600 #73HUL/TUR
|
|
delta_h -5.770 #kJ/mol
|
|
# Enthalpy of formation: -1498.29 #kJ/mol #73HUL/TUR
|
|
-analytic -8.61086E+0 0E+0 3.01388E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CaCl2:2H2O(cr)
|
|
CaCl2:2H2O = 1.000Ca+2 + 2.000Cl- + 2.000H2O
|
|
log_k 7.950
|
|
delta_h -44.790 #kJ/mol
|
|
# Enthalpy of formation: -1404.03 #kJ/mol #87GAR/PAR
|
|
-analytic 1.0314E-1 0E+0 2.33954E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CaCl2:4H2O(cr)
|
|
CaCl2:4H2O = 1.000Ca+2 + 2.000Cl- + 4.000H2O
|
|
log_k 5.350
|
|
delta_h -11.310 #kJ/mol
|
|
# Enthalpy of formation: -2009.17 #kJ/mol #87GAR/PAR
|
|
-analytic 3.36858E+0 0E+0 5.90762E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CaCl2:H2O(s)
|
|
CaCl2:H2O = 1.000Ca+2 + 2.000Cl- + 1.000H2O
|
|
log_k 7.850
|
|
delta_h -52.160 #kJ/mol
|
|
# Enthalpy of formation: -1110.83 #kJ/mol #87GAR/PAR
|
|
-analytic -1.28803E+0 0E+0 2.7245E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CaCrO4(s)
|
|
CaCrO4 = 1.000Ca+2 + 1.000CrO4-2
|
|
log_k -3.150 #03DEA
|
|
delta_h -22.807 #kJ/mol
|
|
# Enthalpy of formation: -1399.193 #kJ/mol
|
|
-analytic -7.14561E+0 0E+0 1.19129E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CaF2:6H2O(s)
|
|
CaF2:6H2O = 1.000Ca+2 + 2.000F- + 6.000H2O
|
|
log_k -5.480 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.48E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CaFe2O4(s)
|
|
CaFe2O4 = 1.000Ca+2 + 2.000Fe+3 - 8.000H+ + 4.000H2O
|
|
log_k 21.240 #79ROB
|
|
delta_h -263.980 #kJ/mol #79ROB
|
|
# Enthalpy of formation: -1520.34 #kJ/mol
|
|
-analytic -2.50072E+1 0E+0 1.37886E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CaI2(s)
|
|
CaI2 = 1.000Ca+2 + 2.000I-
|
|
log_k 22.500 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.25E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CaMg3(CO3)4(s)
|
|
CaMg3(CO3)4 = 1.000Ca+2 + 3.000Mg+2 + 4.000CO3-2
|
|
log_k -30.810
|
|
delta_h -112.340 #kJ/mol
|
|
# Enthalpy of formation: -4532.58 #kJ/mol #73HEM/ROB
|
|
-analytic -5.04911E+1 0E+0 5.86792E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CaMoO4(s)
|
|
CaMoO4 = 1.000Ca+2 + 1.000MoO4-2
|
|
log_k -7.900
|
|
delta_h 1.427 #kJ/mol
|
|
# Enthalpy of formation: -1541.427 #kJ/mol
|
|
-analytic -7.65E+0 0E+0 -7.45373E+1 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CaO(cr)
|
|
CaO = 1.000Ca+2 - 2.000H+ + 1.000H2O
|
|
log_k 32.700
|
|
delta_h -193.910 #kJ/mol
|
|
# Enthalpy of formation: -634.92 #kJ/mol #89COX/WAG
|
|
-analytic -1.27152E+0 0E+0 1.01286E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CaSn(OH)6(s)
|
|
CaSn(OH)6 = 1.000Ca+2 + 1.000Sn+4 - 6.000H+ + 6.000H2O
|
|
log_k -0.740 #Log Kº estimated as the mean value of data in 00LOT/OCH2 (uncertainty to include both values) recalculated using values of Sn(OH)6-2 selected in this work
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -7.4E-1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CaU2O7:3H2O(cr)
|
|
CaU2O7:3H2O = 1.000Ca+2 + 2.000UO2+2 - 6.000H+ + 6.000H2O
|
|
log_k 23.400 #05ALT/NEC
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.34E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cadmoselite
|
|
CdSe = 1.000Cd+2 - 1.000H+ + 1.000HSe-
|
|
log_k -18.680
|
|
delta_h 81.480 #kJ/mol
|
|
# Enthalpy of formation: -143.1 #kJ/mol #05OLI/NOL
|
|
-analytic -4.40534E+0 0E+0 -4.25599E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Calcite
|
|
CaCO3 = 1.000Ca+2 + 1.000CO3-2
|
|
log_k -8.480 #82PLUM/BUS
|
|
delta_h -10.620 #kJ/mol #82PLUM/BUS
|
|
# Enthalpy of formation: -1207.61 #kJ/mol
|
|
-analytic -1.03405E+1 0E+0 5.5472E+2 0E+0 0E+0
|
|
-Vm 36.93
|
|
|
|
Carnallite
|
|
KMgCl3:6H2O = 1.000Mg+2 + 1.000K+ + 3.000Cl- + 6.000H2O
|
|
log_k 4.330 #84HAR/MOL
|
|
delta_h 9.339 #kJ/mol
|
|
# Enthalpy of formation: -2944.699 #kJ/mol #74NAU/RYZ
|
|
-analytic 5.96612E+0 0E+0 -4.87809E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cassiterite
|
|
SnO2 = 1.000Sn+4 - 4.000H+ + 2.000H2O
|
|
log_k -15.600
|
|
delta_h -25.541 #kJ/mol
|
|
# Enthalpy of formation: -577.63 #kJ/mol #12GAM/GAJ
|
|
-analytic -2.00746E+1 0E+0 1.3341E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cattierite
|
|
CoS2 = 1.000Co+2 - 2.000H+ - 2.000e- + 2.000HS-
|
|
log_k -19.980
|
|
delta_h 60.700 #kJ/mol
|
|
# Enthalpy of formation: -150.9 #kJ/mol #95ROB/HEM
|
|
-analytic -9.34583E+0 0E+0 -3.17058E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cd(CO3)(s)
|
|
Cd(CO3) = 1.000Cd+2 + 1.000CO3-2
|
|
log_k -12.100 #91RAI/FEL1
|
|
delta_h 1.482 #kJ/mol
|
|
# Enthalpy of formation: -752.633 #kJ/mol
|
|
-analytic -1.18404E+1 0E+0 -7.74101E+1 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cd(OH)2(s)
|
|
Cd(OH)2 = 1.000Cd+2 - 2.000H+ + 2.000H2O
|
|
log_k 13.860 #91RAI/FEL1
|
|
delta_h -87.730 #kJ/mol
|
|
# Enthalpy of formation: -559.85 #kJ/mol
|
|
-analytic -1.50961E+0 0E+0 4.58245E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cd(SO4)(cr)
|
|
Cd(SO4) = 1.000Cd+2 + 1.000SO4-2
|
|
log_k -0.160
|
|
delta_h -51.980 #kJ/mol
|
|
# Enthalpy of formation: -933.28 #kJ/mol #82WAG/EVA
|
|
-analytic -9.26649E+0 0E+0 2.7151E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cd(SO4):2.67H2O(cr)
|
|
Cd(SO4):2.67H2O = 1.000Cd+2 + 1.000SO4-2 + 2.670H2O
|
|
log_k -1.550
|
|
delta_h -20.126 #kJ/mol
|
|
# Enthalpy of formation: -1728.3 #kJ/mol #89COX/WAG
|
|
-analytic -5.07592E+0 0E+0 1.05125E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cd(SeCn)2(cr)
|
|
Cd(SeCn)2 = 1.000Cd+2 - 2.000H+ - 4.000e- + 2.000Cn- + 2.000HSe-
|
|
log_k -31.750
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.175E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cd(cr)
|
|
Cd = 1.000Cd+2 + 2.000e-
|
|
log_k 13.620
|
|
delta_h -75.920 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
|
|
-analytic 3.19406E-1 0E+0 3.96557E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cd3(AsO4)2(s)
|
|
Cd3(AsO4)2 = 3.000Cd+2 + 2.000AsO4-3
|
|
log_k -32.620
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.262E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cd3(PO4)2(s)
|
|
Cd3(PO4)2 = 3.000Cd+2 - 4.000H+ + 2.000H2(PO4)-
|
|
log_k 8.970
|
|
delta_h -206.960 #kJ/mol
|
|
# Enthalpy of formation: -2626 #kJ/mol #01BEN/JEM
|
|
-analytic -2.72878E+1 0E+0 1.08103E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cd5(PO4)3Cl(cr)
|
|
Cd5(PO4)3Cl = 5.000Cd+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)-
|
|
log_k 12.670
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.267E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cd5(PO4)3OH(cr)
|
|
Cd5(PO4)3OH = 5.000Cd+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O
|
|
log_k 19.840
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.984E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CdB2O4(s)
|
|
CdB2O4 = 1.000Cd+2 + 2.000B(OH)4- - 4.000H2O
|
|
log_k -8.640 #91BAL/NOR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -8.64E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CdCl2(s)
|
|
CdCl2 = 1.000Cd+2 + 2.000Cl-
|
|
log_k -0.660
|
|
delta_h -18.580 #kJ/mol
|
|
# Enthalpy of formation: -391.5 #kJ/mol #74NAU/RYZ
|
|
-analytic -3.91507E+0 0E+0 9.705E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CdCl2:2.5H2O(s)
|
|
CdCl2:2.5H2O = 1.000Cd+2 + 2.000Cl- + 2.500H2O
|
|
log_k -1.900
|
|
delta_h 7.285 #kJ/mol
|
|
# Enthalpy of formation: -1131.94 #kJ/mol #82WAG/EVA
|
|
-analytic -6.23725E-1 0E+0 -3.80521E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CdCl2:H2O(cr)
|
|
CdCl2:H2O = 1.000Cd+2 + 2.000Cl- + 1.000H2O
|
|
log_k -1.690
|
|
delta_h -7.470 #kJ/mol
|
|
# Enthalpy of formation: -688.44 #kJ/mol #82WAG/EVA
|
|
-analytic -2.99869E+0 0E+0 3.90185E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CdO(s)
|
|
CdO = 1.000Cd+2 - 2.000H+ + 1.000H2O
|
|
log_k 15.100
|
|
delta_h -103.400 #kJ/mol
|
|
# Enthalpy of formation: -258.35 #kJ/mol #89COX/WAG
|
|
-analytic -3.01488E+0 0E+0 5.40095E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CdS(s)
|
|
CdS = 1.000Cd+2 - 1.000H+ + 1.000HS-
|
|
log_k -14.820 #99WAN/TES
|
|
delta_h 56.570 #kJ/mol
|
|
# Enthalpy of formation: -148.79 #kJ/mol #06DEO/NAV
|
|
-analytic -4.90938E+0 0E+0 -2.95485E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CdSiO3(cr)
|
|
CdSiO3 = 1.000Cd+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O
|
|
log_k 7.790
|
|
delta_h -62.194 #kJ/mol
|
|
# Enthalpy of formation: -1189.09 #kJ/mol #77BAR/KNA
|
|
-analytic -3.10591E+0 0E+0 3.24861E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Celadonite-Fe
|
|
KFeAlSi4O10(OH)2 = 1.000K+ + 1.000Fe+2 + 1.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
|
|
log_k 6.430
|
|
delta_h -103.866 #kJ/mol
|
|
# Enthalpy of formation: -5478.13 #kJ/mol #02PAR/VID
|
|
-analytic -1.17665E+1 0E+0 5.42529E+3 0E+0 0E+0
|
|
-Vm 143.01
|
|
|
|
Celadonite-Mg
|
|
KMgAlSi4O10(OH)2 = 1.000Mg+2 + 1.000K+ + 1.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
|
|
log_k 10.200
|
|
delta_h -124.256 #kJ/mol
|
|
# Enthalpy of formation: -5834.74 #kJ/mol #02PAR/VID
|
|
-analytic -1.15687E+1 0E+0 6.49033E+3 0E+0 0E+0
|
|
-Vm 139.62
|
|
|
|
Celestite
|
|
Sr(SO4) = 1.000Sr+2 + 1.000SO4-2
|
|
log_k -6.620 #06BLA/IGN
|
|
delta_h -2.451 #kJ/mol
|
|
# Enthalpy of formation: -1457.789 #kJ/mol
|
|
-analytic -7.0494E+0 0E+0 1.28024E+2 0E+0 0E+0
|
|
-Vm 46.25
|
|
|
|
Cerussite
|
|
Pb(CO3) = 1.000Pb+2 + 1.000CO3-2
|
|
log_k -13.290
|
|
delta_h 27.425 #kJ/mol
|
|
# Enthalpy of formation: -701.735 #kJ/mol
|
|
-analytic -8.48535E+0 0E+0 -1.43251E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Chabazite
|
|
CaAl2Si4O12:6H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4) + 2.000H2O
|
|
log_k 11.520
|
|
delta_h -209.796 #kJ/mol
|
|
# Enthalpy of formation: -7826.44 #kJ/mol #09BLA
|
|
-analytic -2.52346E+1 0E+0 1.09584E+4 0E+0 0E+0
|
|
-Vm 251.16
|
|
|
|
Chamosite
|
|
Fe5Al2Si3O10(OH)8 = 5.000Fe+2 + 2.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O
|
|
log_k 47.580
|
|
delta_h -504.512 #kJ/mol
|
|
# Enthalpy of formation: -7120.85 #kJ/mol #05VID/PAR
|
|
-analytic -4.08066E+1 0E+0 2.63525E+4 0E+0 0E+0
|
|
-Vm 215.88
|
|
|
|
Chloroapatite
|
|
Ca5Cl(PO4)3 = 5.000Ca+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)-
|
|
log_k 5.210 #68VAL/KOG
|
|
delta_h -132.541 #kJ/mol
|
|
# Enthalpy of formation: -6657.337 #kJ/mol
|
|
-analytic -1.80102E+1 0E+0 6.92309E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Chromite
|
|
FeCr2O4 = 1.000Fe+2 - 8.000H+ + 2.000Cr+3 + 4.000H2O
|
|
log_k 15.120
|
|
delta_h -268.820 #kJ/mol
|
|
# Enthalpy of formation: -1445.5 #kJ/mol #95ROB/HEM
|
|
-analytic -3.19752E+1 0E+0 1.40414E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Clarkeite
|
|
Na(UO2)O(OH) = 1.000Na+ + 1.000UO2+2 - 3.000H+ + 2.000H2O
|
|
log_k 9.400 #08GOR/FEI
|
|
delta_h -106.300 #kJ/mol
|
|
# Enthalpy of formation: -1724.7 #kJ/mol #06KUB/HEL
|
|
-analytic -9.22293E+0 0E+0 5.55243E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Claudetite
|
|
As2O3 = - 3.000H2O + 2.000H3(AsO3)
|
|
log_k -1.460
|
|
delta_h 28.238 #kJ/mol
|
|
# Enthalpy of formation: -655.15 #kJ/mol
|
|
-analytic 3.48708E+0 0E+0 -1.47497E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Clausthalite
|
|
PbSe = 1.000Pb+2 - 1.000H+ + 1.000HSe-
|
|
log_k -20.530
|
|
delta_h 113.720 #kJ/mol
|
|
# Enthalpy of formation: -98.5 #kJ/mol #05OLI/NOL
|
|
-analytic -6.0714E-1 0E+0 -5.94E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Clinochlore
|
|
Mg5Al2Si3O10(OH)8 = 5.000Mg+2 + 2.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O
|
|
log_k 61.680
|
|
delta_h -600.772 #kJ/mol
|
|
# Enthalpy of formation: -8909.59 #kJ/mol #05VID/PAR
|
|
-analytic -4.35706E+1 0E+0 3.13805E+4 0E+0 0E+0
|
|
-Vm 211.47
|
|
|
|
Clinoptilolite_Ca
|
|
Ca0.55(Si4.9Al1.1)O12:3.9H2O = 0.550Ca+2 + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 3.700H2O
|
|
log_k -2.350 #09BLA
|
|
delta_h -68.491 #kJ/mol
|
|
# Enthalpy of formation: -6924.681 #kJ/mol
|
|
-analytic -1.43491E+1 0E+0 3.57753E+3 0E+0 0E+0
|
|
-Vm 209.66
|
|
|
|
Clinoptilolite_K
|
|
K1.1(Si4.9Al1.1)O12:2.7H2O = 1.100K+ + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 4.900H2O
|
|
log_k -1.230 #09BLA
|
|
delta_h -60.121 #kJ/mol
|
|
# Enthalpy of formation: -6568.76 #kJ/mol
|
|
-analytic -1.17627E+1 0E+0 3.14033E+3 0E+0 0E+0
|
|
-Vm 210.73
|
|
|
|
Clinoptilolite_Na
|
|
Na1.1(Si4.9Al1.1)O12:3.5H2O = 1.100Na+ + 1.100Al+3 - 4.400H+ + 4.900H4(SiO4) - 4.100H2O
|
|
log_k -0.090 #09BLA
|
|
delta_h -62.460 #kJ/mol
|
|
# Enthalpy of formation: -6782.105 #kJ/mol
|
|
-analytic -1.10325E+1 0E+0 3.26251E+3 0E+0 0E+0
|
|
-Vm 214.78
|
|
|
|
Cm(CO3)(OH)(cr)
|
|
Cm(CO3)(OH) = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.000H2O
|
|
log_k -10.340 #estimated by correlation with Ln(III) and An(III)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.034E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cm(CO3)(OH):0.5H2O(s)
|
|
Cm(CO3)(OH):0.5H2O = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.500H2O
|
|
log_k -7.780 #estimated by correlation with Ln(III) and An(III)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -7.78E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cm(OH)3(am)
|
|
Cm(OH)3 = - 3.000H+ + 1.000Cm+3 + 3.000H2O
|
|
log_k 17.900 #estimated from ionic radii
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.79E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cm(OH)3(cr)
|
|
Cm(OH)3 = - 3.000H+ + 1.000Cm+3 + 3.000H2O
|
|
log_k 15.600 #estimated from ionic radii
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.56E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cm(PO4):xH2O(s)
|
|
Cm(PO4) = - 2.000H+ + 1.000H2(PO4)- + 1.000Cm+3
|
|
log_k -4.970 #estimated by correlation with Ln(III)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.97E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cm(cr)
|
|
Cm = 3.000e- + 1.000Cm+3
|
|
log_k 104.310
|
|
delta_h -615.000 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #01KON2
|
|
-analytic -3.43322E+0 0E+0 3.21236E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cm2(CO3)3(am)
|
|
Cm2(CO3)3 = 3.000CO3-2 + 2.000Cm+3
|
|
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
|
|
# -Vm 0
|
|
|
|
Cm2O3(cr)
|
|
Cm2O3 = - 6.000H+ + 2.000Cm+3 + 3.000H2O
|
|
log_k 52.970
|
|
delta_h -403.490 #kJ/mol
|
|
# Enthalpy of formation: -1684 #kJ/mol #01KON2
|
|
-analytic -1.77183E+1 0E+0 2.10757E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CmCl3(cr)
|
|
CmCl3 = 3.000Cl- + 1.000Cm+3
|
|
log_k 15.070
|
|
delta_h -141.840 #kJ/mol
|
|
# Enthalpy of formation: -974.4 #kJ/mol #85BAR/PAR
|
|
-analytic -9.77926E+0 0E+0 7.40881E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CmF3(cr)
|
|
CmF3 = 3.000F- + 1.000Cm+3
|
|
log_k -13.160
|
|
delta_h -32.036 #kJ/mol
|
|
# Enthalpy of formation: -1589.014 #kJ/mol #estimated by 97SVE/SHO equation
|
|
-analytic -1.87725E+1 0E+0 1.67335E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CmOCl(cr)
|
|
CmOCl = - 2.000H+ + 1.000Cl- + 1.000Cm+3 + 1.000H2O
|
|
log_k 9.490
|
|
delta_h -104.710 #kJ/mol
|
|
# Enthalpy of formation: -963.2 #kJ/mol #85BAR/PAR
|
|
-analytic -8.85438E+0 0E+0 5.46938E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CmOHCO3(am)
|
|
CmOHCO3 = - 1.000H+ + 1.000CO3-2 + 1.000Cm+3 + 1.000H2O
|
|
log_k -6.120 #estimated in anlogy with Ln(III) and Am(III)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.12E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Co(FeO2)2(alpha)
|
|
Co(FeO2)2 = 2.000Fe+3 + 1.000Co+2 - 8.000H+ + 4.000H2O
|
|
log_k 0.770
|
|
delta_h -159.200 #kJ/mol
|
|
# Enthalpy of formation: -1139.72 #kJ/mol #74NAU/RYZ
|
|
-analytic -2.71206E+1 0E+0 8.31558E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Co(OH)2(s,blue)
|
|
Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O
|
|
log_k 13.800 #98PLY/ZHA1
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.38E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Co(OH)2(s,rose1)
|
|
Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O
|
|
log_k 12.200 #98PLY/ZHA1
|
|
delta_h -88.460 #kJ/mol
|
|
# Enthalpy of formation: -540.8 #kJ/mol #98PLY/ZHA1
|
|
-analytic -3.2975E+0 0E+0 4.62058E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Co(OH)2(s,rose2)
|
|
Co(OH)2 = 1.000Co+2 - 2.000H+ + 2.000H2O
|
|
log_k 13.200 #98PLY/ZHA1
|
|
delta_h -93.560 #kJ/mol
|
|
# Enthalpy of formation: -535.7 #kJ/mol #98PLY/ZHA1
|
|
-analytic -3.19098E+0 0E+0 4.88697E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Co(SeO3):2H2O(s)
|
|
Co(SeO3):2H2O = 1.000Co+2 + 1.000SeO3-2 + 2.000H2O
|
|
log_k -7.900 #05OLI/NOL
|
|
delta_h -20.860 #kJ/mol
|
|
# Enthalpy of formation: -1115.56 #kJ/mol #05OLI/NOL
|
|
-analytic -1.15545E+1 0E+0 1.08959E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Co(SeO4):6H2O(s)
|
|
Co(SeO4):6H2O = 1.000Co+2 + 1.000SeO4-2 + 6.000H2O
|
|
log_k -1.760 #05OLI/NOL
|
|
delta_h -3.400 #kJ/mol
|
|
# Enthalpy of formation: -2372.678 #kJ/mol
|
|
-analytic -2.35565E+0 0E+0 1.77594E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Co(cr)
|
|
Co = 1.000Co+2 + 2.000e-
|
|
log_k 9.740
|
|
delta_h -57.600 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #87FER
|
|
-analytic -3.51072E-1 0E+0 3.00865E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Co0.84Se(cr)
|
|
Co0.84Se = 0.840Co+2 - 1.000H+ - 0.320e- + 1.000HSe-
|
|
log_k -9.300
|
|
delta_h 21.316 #kJ/mol
|
|
# Enthalpy of formation: -55.4 #kJ/mol #05OLI/NOL
|
|
-analytic -5.5656E+0 0E+0 -1.11341E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Co2SiO4(s)
|
|
Co2SiO4 = 2.000Co+2 - 4.000H+ + 1.000H4(SiO4)
|
|
log_k 7.350
|
|
delta_h -99.394 #kJ/mol
|
|
# Enthalpy of formation: -1477 #kJ/mol #82WAG/EVA
|
|
-analytic -1.00631E+1 0E+0 5.1917E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Co3(AsO4)2(s)
|
|
Co3(AsO4)2 = 3.000Co+2 + 2.000AsO4-3
|
|
log_k -27.560
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.756E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Co3(PO4)2(s)
|
|
Co3(PO4)2 = 3.000Co+2 - 4.000H+ + 2.000H2(PO4)-
|
|
log_k 4.360 #84VIE/TAR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.36E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Co3O4(s)
|
|
Co3O4 = 3.000Co+2 - 8.000H+ - 2.000e- + 4.000H2O
|
|
log_k 54.860
|
|
delta_h -397.320 #kJ/mol
|
|
# Enthalpy of formation: -918.8 #kJ/mol #95ROB/HEM
|
|
-analytic -1.47474E+1 0E+0 2.07534E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CoCl2(s)
|
|
CoCl2 = 1.000Co+2 + 2.000Cl-
|
|
log_k 8.470
|
|
delta_h -79.220 #kJ/mol
|
|
# Enthalpy of formation: -312.54 #kJ/mol #98CHA
|
|
-analytic -5.40873E+0 0E+0 4.13794E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CoCl2:6H2O(s)
|
|
CoCl2:6H2O = 1.000Co+2 + 2.000Cl- + 6.000H2O
|
|
log_k 2.540 #97MAR/SMI
|
|
delta_h 8.060 #kJ/mol #97MAR/SMI
|
|
# Enthalpy of formation: -2114.8 #kJ/mol
|
|
-analytic 3.95205E+0 0E+0 -4.21003E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CoF2(s)
|
|
CoF2 = 1.000Co+2 + 2.000F-
|
|
log_k -1.390
|
|
delta_h -56.770 #kJ/mol
|
|
# Enthalpy of formation: -671.53 #kJ/mol #98CHA
|
|
-analytic -1.13357E+1 0E+0 2.9653E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CoHPO4(s)
|
|
CoHPO4 = 1.000Co+2 - 1.000H+ + 1.000H2(PO4)-
|
|
log_k 0.490 #84VIE/TAR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.9E-1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CoO(s)
|
|
CoO = 1.000Co+2 - 2.000H+ + 1.000H2O
|
|
log_k 13.770
|
|
delta_h -105.530 #kJ/mol
|
|
# Enthalpy of formation: -237.9 #kJ/mol #95ROB/HEM
|
|
-analytic -4.71804E+0 0E+0 5.51221E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CoS(alpha)
|
|
CoS = 1.000Co+2 - 1.000H+ + 1.000HS-
|
|
log_k -7.440 #90DYR/KRE
|
|
delta_h 11.836 #kJ/mol
|
|
# Enthalpy of formation: -85.735 #kJ/mol
|
|
-analytic -5.36642E+0 0E+0 -6.18236E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CoS(beta)
|
|
CoS = 1.000Co+2 - 1.000H+ + 1.000HS-
|
|
log_k -11.070 #90DYR/KRE
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.107E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CoSO4(s)
|
|
CoSO4 = 1.000Co+2 + 1.000SO4-2
|
|
log_k 3.010
|
|
delta_h -78.680 #kJ/mol
|
|
# Enthalpy of formation: -888.26 #kJ/mol #98CHA
|
|
-analytic -1.07741E+1 0E+0 4.10974E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CoSO4:6H2O(s)
|
|
CoSO4:6H2O = 1.000Co+2 + 1.000SO4-2 + 6.000H2O
|
|
log_k -2.200
|
|
delta_h 1.570 #kJ/mol
|
|
# Enthalpy of formation: -2683.49 #kJ/mol #74NAU/RYZ
|
|
-analytic -1.92495E+0 0E+0 -8.20067E+1 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CoSO4:H2O(s)
|
|
CoSO4:H2O = 1.000Co+2 + 1.000SO4-2 + 1.000H2O
|
|
log_k -1.050
|
|
delta_h -52.050 #kJ/mol
|
|
# Enthalpy of formation: -1200.72 #kJ/mol #74NAU/RYZ
|
|
-analytic -1.01688E+1 0E+0 2.71876E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CoSe2(cr)
|
|
CoSe2 = 1.000Co+2 - 2.000H+ - 2.000e- + 2.000HSe-
|
|
log_k -23.090
|
|
delta_h 76.500 #kJ/mol
|
|
# Enthalpy of formation: -105.5 #kJ/mol #05OLI/NOL
|
|
-analytic -9.68779E+0 0E+0 -3.99587E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Coffinite
|
|
U(SiO4) = 1.000U+4 - 4.000H+ + 1.000H4(SiO4)
|
|
log_k -7.800
|
|
delta_h -61.068 #kJ/mol
|
|
# Enthalpy of formation: -1991.326 #kJ/mol
|
|
-analytic -1.84986E+1 0E+0 3.1898E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Coffinite(am)
|
|
U(SiO4) = 1.000U+4 - 4.000H+ + 1.000H4(SiO4)
|
|
log_k -1.500 #Estimation based on NEA Guidelines
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Compreignacite
|
|
K2(UO2)6O4(OH)6:7H2O = 2.000K+ + 6.000UO2+2 - 14.000H+ + 17.000H2O
|
|
log_k 35.800 #08GOR/FEI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.58E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Corundum
|
|
Al2O3 = 2.000Al+3 - 6.000H+ + 3.000H2O
|
|
log_k 18.300
|
|
delta_h -258.590 #kJ/mol
|
|
# Enthalpy of formation: -1675.7 #kJ/mol #89COX/WAG
|
|
-analytic -2.7003E+1 0E+0 1.35071E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cotunnite
|
|
PbCl2 = 1.000Pb+2 + 2.000Cl-
|
|
log_k -4.810
|
|
delta_h 26.160 #kJ/mol
|
|
# Enthalpy of formation: -359.4 #kJ/mol #98CHA
|
|
-analytic -2.26971E-1 0E+0 -1.36643E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cr(OH)2(H2PO4)(s)
|
|
Cr(OH)2(H2PO4) = - 2.000H+ + 1.000H2(PO4)- + 1.000Cr+3 + 2.000H2O
|
|
log_k 0.890 #04RAI/MOO
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.9E-1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cr(OH)2(cr)
|
|
Cr(OH)2 = - 2.000H+ + 1.000Cr+2 + 2.000H2O
|
|
log_k 11.000 #41HUM/STO, 04CHI
|
|
delta_h -75.459 #kJ/mol
|
|
# Enthalpy of formation: -653.814 #kJ/mol
|
|
-analytic -2.21983E+0 0E+0 3.94149E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cr(OH)3(cr)
|
|
Cr(OH)3 = - 3.000H+ + 1.000Cr+3 + 3.000H2O
|
|
log_k 7.500 #04RAI/MOO
|
|
delta_h -104.751 #kJ/mol
|
|
# Enthalpy of formation: -993.239 #kJ/mol
|
|
-analytic -1.08516E+1 0E+0 5.47152E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cr(cr)
|
|
Cr = 8.000H+ + 6.000e- + 1.000CrO4-2 - 4.000H2O
|
|
log_k -39.310
|
|
delta_h 264.320 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #98CHA, 04CHI
|
|
-analytic 6.99681E+0 0E+0 -1.38064E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cr2(SO4)3(s)
|
|
Cr2(SO4)3 = 3.000SO4-2 + 2.000Cr+3
|
|
log_k 4.380
|
|
delta_h -277.720 #kJ/mol
|
|
# Enthalpy of formation: -2931.3 #kJ/mol #91KNA/KUB
|
|
-analytic -4.42744E+1 0E+0 1.45063E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cr2O3(cr)
|
|
Cr2O3 = - 6.000H+ + 2.000Cr+3 + 3.000H2O
|
|
log_k 7.750
|
|
delta_h -197.990 #kJ/mol
|
|
# Enthalpy of formation: -1140.5 #kJ/mol #04CHI
|
|
-analytic -2.69363E+1 0E+0 1.03417E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cr2S3(s)
|
|
Cr2S3 = - 3.000H+ + 3.000HS- + 2.000Cr+3
|
|
log_k 3.260
|
|
delta_h -195.200 #kJ/mol
|
|
# Enthalpy of formation: -334.7 #kJ/mol #84PAN
|
|
-analytic -3.09375E+1 0E+0 1.0196E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CrCl2(cr)
|
|
CrCl2 = 2.000Cl- + 1.000Cr+2
|
|
log_k 12.730
|
|
delta_h -103.474 #kJ/mol
|
|
# Enthalpy of formation: -388.3 #kJ/mol #98BAL/NOR
|
|
-analytic -5.39784E+0 0E+0 5.40482E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CrCl3(cr)
|
|
CrCl3 = 3.000Cl- + 1.000Cr+3
|
|
log_k 20.190
|
|
delta_h -197.340 #kJ/mol
|
|
# Enthalpy of formation: -544.4 #kJ/mol #98BAL/NOR
|
|
-analytic -1.43824E+1 0E+0 1.03078E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CrO2(cr)
|
|
CrO2 = 4.000H+ + 2.000e- + 1.000CrO4-2 - 2.000H2O
|
|
log_k -51.680
|
|
delta_h 290.560 #kJ/mol
|
|
# Enthalpy of formation: -597.9 #kJ/mol #93BAR, 04CHI
|
|
-analytic -7.76148E-1 0E+0 -1.5177E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CrO3(cr)
|
|
CrO3 = 2.000H+ + 1.000CrO4-2 - 1.000H2O
|
|
log_k -3.020
|
|
delta_h -10.070 #kJ/mol
|
|
# Enthalpy of formation: -583.1 #kJ/mol #98BAL/NOR, 04CHI
|
|
-analytic -4.78419E+0 0E+0 5.25992E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CrPO4(green)
|
|
CrPO4 = - 2.000H+ + 1.000H2(PO4)- + 1.000Cr+3
|
|
log_k -3.060 #51ZHA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.06E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CrPO4(purple)
|
|
CrPO4 = - 2.000H+ + 1.000H2(PO4)- + 1.000Cr+3
|
|
log_k 2.560 #51ZHA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.56E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CrS(s)
|
|
CrS = - 1.000H+ + 1.000HS- + 1.000Cr+2
|
|
log_k 1.660
|
|
delta_h -38.771 #kJ/mol
|
|
# Enthalpy of formation: -135.143 #kJ/mol #84PAN
|
|
-analytic -5.13238E+0 0E+0 2.02515E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cristobalite
|
|
SiO2 = 1.000H4(SiO4) - 2.000H2O
|
|
log_k -3.160
|
|
delta_h 16.500 #kJ/mol
|
|
# Enthalpy of formation: -906.034 #kJ/mol #04FAB/SAX
|
|
-analytic -2.69328E-1 0E+0 -8.61854E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Crocoite
|
|
PbCrO4 = 1.000Pb+2 + 1.000CrO4-2
|
|
log_k -12.550 #42KOL/PER
|
|
delta_h 48.940 #kJ/mol
|
|
# Enthalpy of formation: -927.02 #kJ/mol #75DEL/MCC
|
|
-analytic -3.97609E+0 0E+0 -2.55631E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cronstedtite-Th
|
|
Fe4SiO5(OH)4 = 2.000Fe+3 + 2.000Fe+2 - 10.000H+ + 1.000H4(SiO4) + 5.000H2O
|
|
log_k 16.120
|
|
delta_h -253.794 #kJ/mol
|
|
# Enthalpy of formation: -2914.55 #kJ/mol #15BLA/VIE
|
|
-analytic -2.83427E+1 0E+0 1.32566E+4 0E+0 0E+0
|
|
-Vm 76.8
|
|
|
|
Cs(cr)
|
|
Cs = 1.000Cs+ + 1.000e-
|
|
log_k 51.060
|
|
delta_h -258.000 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #92GRE/FUG
|
|
-analytic 5.86041E+0 0E+0 1.34763E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cs2(CO3)(s)
|
|
Cs2(CO3) = 2.000Cs+ + 1.000CO3-2
|
|
log_k 9.900
|
|
delta_h -53.609 #kJ/mol
|
|
# Enthalpy of formation: -1137.62 #kJ/mol
|
|
-analytic 5.0812E-1 0E+0 2.80019E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cs2(SO4)(s)
|
|
Cs2(SO4) = 2.000Cs+ + 1.000SO4-2
|
|
log_k 0.580
|
|
delta_h 17.769 #kJ/mol
|
|
# Enthalpy of formation: -1443.108 #kJ/mol
|
|
-analytic 3.69299E+0 0E+0 -9.28138E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cs2MoO4(s)
|
|
Cs2MoO4 = 2.000Cs+ + 1.000MoO4-2
|
|
log_k 2.210
|
|
delta_h 1.731 #kJ/mol
|
|
# Enthalpy of formation: -1514.73 #kJ/mol
|
|
-analytic 2.51326E+0 0E+0 -9.04163E+1 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cs2O(s)
|
|
Cs2O = 2.000Cs+ - 2.000H+ + 1.000H2O
|
|
log_k 89.680
|
|
delta_h -456.069 #kJ/mol
|
|
# Enthalpy of formation: -345.759 #kJ/mol
|
|
-analytic 9.78026E+0 0E+0 2.38221E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CsBr(cr)
|
|
CsBr = 1.000Cs+ + 1.000Br-
|
|
log_k 0.720
|
|
delta_h 26.190 #kJ/mol
|
|
# Enthalpy of formation: -405.6 #kJ/mol #01LEM/FUG
|
|
-analytic 5.30828E+0 0E+0 -1.368E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CsCl(cr)
|
|
CsCl = 1.000Cs+ + 1.000Cl-
|
|
log_k 1.550
|
|
delta_h 17.230 #kJ/mol
|
|
# Enthalpy of formation: -442.31 #kJ/mol #01LEM/FUG
|
|
-analytic 4.56856E+0 0E+0 -8.99984E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cu(SeO3):2H2O(s)
|
|
Cu(SeO3):2H2O = 1.000Cu+2 + 1.000SeO3-2 + 2.000H2O
|
|
log_k -9.500 #Average value from 56CHU2 and 93SLA/POP in 05OLI/NOL
|
|
delta_h -15.320 #kJ/mol
|
|
# Enthalpy of formation: -998.6 #kJ/mol #05OLI/NOL
|
|
-analytic -1.21839E+1 0E+0 8.00218E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cu(SeO4):5H2O(s)
|
|
Cu(SeO4):5H2O = 1.000Cu+2 + 1.000SeO4-2 + 5.000H2O
|
|
log_k -2.440 #05OLI/NOL
|
|
delta_h 5.580 #kJ/mol
|
|
# Enthalpy of formation: -1973.33 #kJ/mol #05OLI/NOL
|
|
-analytic -1.46243E+0 0E+0 -2.91463E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cu(cr)
|
|
Cu = 1.000Cu+2 + 2.000e-
|
|
log_k -11.390
|
|
delta_h 64.900 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #01LEM/FUG
|
|
-analytic -2.00248E-2 0E+0 -3.38996E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cu2Se(alfa)
|
|
Cu2Se = 2.000Cu+ - 1.000H+ + 1.000HSe-
|
|
log_k -45.890 #01SEB/POT2
|
|
delta_h 216.940 #kJ/mol
|
|
# Enthalpy of formation: -59.3 #kJ/mol #05OLI/NOL
|
|
-analytic -7.8838E+0 0E+0 -1.13315E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cu3(AsO4)2(s)
|
|
Cu3(AsO4)2 = 3.000Cu+2 + 2.000AsO4-3
|
|
log_k -34.880
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.488E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CuSe(alfa)
|
|
CuSe = 1.000Cu+2 - 1.000H+ + 1.000HSe-
|
|
log_k -25.460
|
|
delta_h 118.700 #kJ/mol
|
|
# Enthalpy of formation: -39.5 #kJ/mol #05OLI/NOL
|
|
-analytic -4.66468E+0 0E+0 -6.20012E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CuSe(beta)
|
|
CuSe = 1.000Cu+2 - 1.000H+ + 1.000HSe-
|
|
log_k -25.130
|
|
delta_h 116.000 #kJ/mol
|
|
# Enthalpy of formation: -36.8 #kJ/mol #05OLI/NOL
|
|
-analytic -4.8077E+0 0E+0 -6.05909E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Dawsonite
|
|
NaAl(CO3)(OH)2 = 1.000Na+ + 1.000Al+3 - 2.000H+ + 1.000CO3-2 + 2.000H2O
|
|
log_k -6.000
|
|
delta_h -61.630 #kJ/mol
|
|
# Enthalpy of formation: -1964 #kJ/mol #76FER/STU
|
|
-analytic -1.67971E+1 0E+0 3.21915E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Diaspore
|
|
AlO(OH) = 1.000Al+3 - 3.000H+ + 2.000H2O
|
|
log_k 6.870
|
|
delta_h -108.760 #kJ/mol
|
|
# Enthalpy of formation: -1001.3 #kJ/mol #95ROB/HEM
|
|
-analytic -1.21839E+1 0E+0 5.68092E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Dickite
|
|
Al2Si2O5(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O
|
|
log_k 9.390
|
|
delta_h -185.218 #kJ/mol
|
|
# Enthalpy of formation: -4099.8 #kJ/mol #03FIA/MAJ
|
|
-analytic -2.30588E+1 0E+0 9.6746E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Dolomite
|
|
CaMg(CO3)2 = 1.000Ca+2 + 1.000Mg+2 + 2.000CO3-2
|
|
log_k -17.130
|
|
delta_h -35.960 #kJ/mol
|
|
# Enthalpy of formation: -2324.5 #kJ/mol #95ROB/HEM
|
|
-analytic -2.34299E+1 0E+0 1.87832E+3 0E+0 0E+0
|
|
-Vm 64.37
|
|
|
|
Downeyite
|
|
SeO2 = 2.000H+ + 1.000SeO3-2 - 1.000H2O
|
|
log_k -8.150
|
|
delta_h 4.060 #kJ/mol
|
|
# Enthalpy of formation: -225.39 #kJ/mol #05OLI/NOL
|
|
-analytic -7.43872E+0 0E+0 -2.12068E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Eastonite
|
|
KMg2Al3Si2O10(OH)2 = 2.000Mg+2 + 1.000K+ + 3.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O
|
|
log_k 46.300
|
|
delta_h -518.108 #kJ/mol
|
|
# Enthalpy of formation: -6348.94 #kJ/mol #98HOL/POW
|
|
-analytic -4.44685E+1 0E+0 2.70626E+4 0E+0 0E+0
|
|
-Vm 147.51
|
|
|
|
Epsonite
|
|
Mg(SO4):7H2O = 1.000Mg+2 + 1.000SO4-2 + 7.000H2O
|
|
log_k -1.880 #84HAR/MOL
|
|
delta_h 10.990 #kJ/mol
|
|
# Enthalpy of formation: -3388.138 #kJ/mol
|
|
-analytic 4.53625E-2 0E+0 -5.74047E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ettringite
|
|
Ca6Al2(SO4)3(OH)12:26H2O = 6.000Ca+2 + 2.000Al+3 - 12.000H+ + 3.000SO4-2 + 38.000H2O
|
|
log_k 56.970 #10BLA/BOU2
|
|
delta_h -379.830 #kJ/mol
|
|
# Enthalpy of formation: -17544.53 #kJ/mol #10BLA/BOU2
|
|
-analytic -9.57326E+0 0E+0 1.98399E+4 0E+0 0E+0
|
|
-Vm 710.32
|
|
|
|
Ettringite-Fe
|
|
Ca6Fe2(SO4)3(OH)12:26H2O = 6.000Ca+2 + 2.000Fe+3 - 12.000H+ + 3.000SO4-2 + 38.000H2O
|
|
log_k 54.550 #10BLA/BOU2
|
|
delta_h -344.345 #kJ/mol
|
|
# Enthalpy of formation: -16601.2 #kJ/mol
|
|
-analytic -5.77657E+0 0E+0 1.79864E+4 0E+0 0E+0
|
|
-Vm 711.8
|
|
|
|
Eu(CO3)(OH)(cr)
|
|
Eu(CO3)(OH) = 1.000Eu+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O
|
|
log_k -9.630
|
|
delta_h -43.385 #kJ/mol
|
|
# Enthalpy of formation: -1523 #kJ/mol #05ROR/FUG
|
|
-analytic -1.72307E+1 0E+0 2.26615E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Eu(CO3)(OH):0.5H2O(s)
|
|
Eu(CO3)(OH):0.5H2O = 1.000Eu+3 - 1.000H+ + 1.000CO3-2 + 1.500H2O
|
|
log_k -7.800 #95SPA/BRU
|
|
delta_h -55.900 #kJ/mol
|
|
# Enthalpy of formation: -1653.4 #kJ/mol #05ROR/FUG
|
|
-analytic -1.75932E+1 0E+0 2.91986E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Eu(NO3)3:6H2O(s)
|
|
Eu(NO3)3:6H2O = 1.000Eu+3 + 3.000NO3- + 6.000H2O
|
|
log_k 1.840 #95SPA/BRU
|
|
delta_h 16.845 #kJ/mol
|
|
# Enthalpy of formation: -2957.7 #kJ/mol #82WAG/EVA
|
|
-analytic 4.79111E+0 0E+0 -8.79874E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Eu(OH)3(am)
|
|
Eu(OH)3 = 1.000Eu+3 - 3.000H+ + 3.000H2O
|
|
log_k 17.600 #98DIA/RAG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.76E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Eu(OH)3(cr)
|
|
Eu(OH)3 = 1.000Eu+3 - 3.000H+ + 3.000H2O
|
|
log_k 15.460 #98DIA/RAG
|
|
delta_h -127.543 #kJ/mol
|
|
# Enthalpy of formation: -1335.272 #kJ/mol
|
|
-analytic -6.88454E+0 0E+0 6.66203E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Eu(PO4):xH2O(s)
|
|
Eu(PO4) = 1.000Eu+3 - 2.000H+ + 1.000H2(PO4)-
|
|
log_k -4.840 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.84E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Eu(cr)
|
|
Eu = 1.000Eu+3 + 3.000e-
|
|
log_k 100.640
|
|
delta_h -605.325 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #82WAG/EVA
|
|
-analytic -5.40823E+0 0E+0 3.16183E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Eu2(CO3)3:3H2O(s)
|
|
Eu2(CO3)3:3H2O = 2.000Eu+3 + 3.000CO3-2 + 3.000H2O
|
|
log_k -35.000 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.5E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Eu2(SO4)3:8H2O(s)
|
|
Eu2(SO4)3:8H2O = 2.000Eu+3 + 3.000SO4-2 + 8.000H2O
|
|
log_k -10.200 #95SPA/BRU
|
|
delta_h -90.974 #kJ/mol
|
|
# Enthalpy of formation: -6134.332 #kJ/mol
|
|
-analytic -2.61379E+1 0E+0 4.7519E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Eu2O3(cubic)
|
|
Eu2O3 = 2.000Eu+3 - 6.000H+ + 3.000H2O
|
|
log_k 52.400 #95SPA/BRU
|
|
delta_h -405.440 #kJ/mol
|
|
# Enthalpy of formation: -1662.7 #kJ/mol #82WAG/EVA
|
|
-analytic -1.86299E+1 0E+0 2.11776E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Eu2O3(monoclinic)
|
|
Eu2O3 = 2.000Eu+3 - 6.000H+ + 3.000H2O
|
|
log_k 53.470
|
|
delta_h -418.513 #kJ/mol
|
|
# Enthalpy of formation: -1649.626 #kJ/mol
|
|
-analytic -1.98502E+1 0E+0 2.18604E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Eu3O4(s)
|
|
Eu3O4 = 3.000Eu+3 - 8.000H+ + 1.000e- + 4.000H2O
|
|
log_k 93.020
|
|
delta_h -688.765 #kJ/mol
|
|
# Enthalpy of formation: -2270.529 #kJ/mol
|
|
-analytic -2.76463E+1 0E+0 3.59766E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
EuBr3(s)
|
|
EuBr3 = 1.000Eu+3 + 3.000Br-
|
|
log_k 30.190 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.019E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
EuCl(OH)2(s)
|
|
EuCl(OH)2 = 1.000Eu+3 - 2.000H+ + 1.000Cl- + 2.000H2O
|
|
log_k 9.130 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.13E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
EuCl2(s)
|
|
EuCl2 = 1.000Eu+3 + 1.000e- + 2.000Cl-
|
|
log_k 11.220 #95SPA/BRU
|
|
delta_h -115.485 #kJ/mol
|
|
# Enthalpy of formation: -824 #kJ/mol #82WAG/EVA
|
|
-analytic -9.01207E+0 0E+0 6.03219E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
EuCl3(s)
|
|
EuCl3 = 1.000Eu+3 + 3.000Cl-
|
|
log_k 19.720 #96FAL/REA
|
|
delta_h -170.565 #kJ/mol
|
|
# Enthalpy of formation: -936 #kJ/mol #82WAG/EVA
|
|
-analytic -1.01617E+1 0E+0 8.90922E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
EuCl3:6H2O(s)
|
|
EuCl3:6H2O = 1.000Eu+3 + 3.000Cl- + 6.000H2O
|
|
log_k 5.200 #95SPA/BRU
|
|
delta_h -41.414 #kJ/mol
|
|
# Enthalpy of formation: -2780.128 #kJ/mol
|
|
-analytic -2.05541E+0 0E+0 2.1632E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
EuF3(s)
|
|
EuF3 = 1.000Eu+3 + 3.000F-
|
|
log_k -18.500 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.85E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
EuF3:0.5H2O(s)
|
|
EuF3:0.5H2O = 1.000Eu+3 + 3.000F- + 0.500H2O
|
|
log_k -17.200 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.72E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
EuO(s)
|
|
EuO = 1.000Eu+3 - 2.000H+ + 1.000e- + 1.000H2O
|
|
log_k 44.770
|
|
delta_h -300.012 #kJ/mol
|
|
# Enthalpy of formation: -591.143 #kJ/mol
|
|
-analytic -7.78977E+0 0E+0 1.56707E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
EuOCl(s)
|
|
EuOCl = 1.000Eu+3 - 2.000H+ + 1.000Cl- + 1.000H2O
|
|
log_k 15.810 #95SPA/BRU
|
|
delta_h -154.735 #kJ/mol
|
|
# Enthalpy of formation: -903.5 #kJ/mol #98BUR/PET
|
|
-analytic -1.12984E+1 0E+0 8.08236E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
EuPO4:H2O(cr)
|
|
EuPO4:H2O = 1.000Eu+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O
|
|
log_k -6.440 #97LIU/BYR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.44E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
EuSO4(s)
|
|
EuSO4 = 1.000Eu+3 + 1.000e- + 1.000SO4-2
|
|
log_k -2.520 #95SPA/BRU
|
|
delta_h -92.864 #kJ/mol
|
|
# Enthalpy of formation: -1421.801 #kJ/mol
|
|
-analytic -1.87891E+1 0E+0 4.85062E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Fayalite
|
|
Fe2(SiO4) = 2.000Fe+2 - 4.000H+ + 1.000H4(SiO4)
|
|
log_k 19.510
|
|
delta_h -163.054 #kJ/mol
|
|
# Enthalpy of formation: -1478.14 #kJ/mol #95ROB/HEM
|
|
-analytic -9.05579E+0 0E+0 8.51689E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Fe(OH)2(cr)
|
|
Fe(OH)2 = 1.000Fe+2 - 2.000H+ + 2.000H2O
|
|
log_k 12.760
|
|
delta_h -87.642 #kJ/mol
|
|
# Enthalpy of formation: -574.017 #kJ/mol
|
|
-analytic -2.5942E+0 0E+0 4.57785E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Fe(PO4)(cr)
|
|
Fe(PO4) = 1.000Fe+3 - 2.000H+ + 1.000H2(PO4)-
|
|
log_k -6.240 #CHEMVAL
|
|
delta_h -18.600 #kJ/mol
|
|
# Enthalpy of formation: -1333 #kJ/mol #03-91 MINTEQL-PSI
|
|
-analytic -9.49858E+0 0E+0 9.71544E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Fe(cr,alpha)
|
|
Fe = 1.000Fe+2 + 2.000e-
|
|
log_k 15.860
|
|
delta_h -90.000 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #98CHA
|
|
-analytic 9.27E-2 0E+0 4.70102E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Fe1.04Se(beta)
|
|
Fe1.04Se = 1.040Fe+2 - 1.000H+ + 0.080e- + 1.000HSe-
|
|
log_k -3.400
|
|
delta_h -9.700 #kJ/mol
|
|
# Enthalpy of formation: -69.6 #kJ/mol #05OLI/NOL
|
|
-analytic -5.09936E+0 0E+0 5.06666E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Fe2(SeO3)3:6H2O(s)
|
|
Fe2(SeO3)3:6H2O = 2.000Fe+3 + 3.000SeO3-2 + 6.000H2O
|
|
log_k -41.580 #05OLI/NOL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.158E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Fe3Se4(gamma)
|
|
Fe3Se4 = 3.000Fe+2 - 4.000H+ - 2.000e- + 4.000HSe-
|
|
log_k -25.590
|
|
delta_h 22.200 #kJ/mol
|
|
# Enthalpy of formation: -235 #kJ/mol #05OLI/NOL
|
|
-analytic -2.17007E+1 0E+0 -1.15959E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Fe5(OH)(PO4)3(s)
|
|
Fe5(OH)(PO4)3 = 5.000Fe+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O
|
|
log_k -402.320 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.0232E+2 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Fe7Se8(alfa)
|
|
Fe7Se8 = 7.000Fe+2 - 8.000H+ - 2.000e- + 8.000HSe-
|
|
log_k -35.590
|
|
delta_h -52.100 #kJ/mol
|
|
# Enthalpy of formation: -463.5 #kJ/mol #05OLI/NOL
|
|
-analytic -4.47175E+1 0E+0 2.72137E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
FeAl2O4(s)
|
|
FeAl2O4 = 1.000Fe+2 + 2.000Al+3 - 8.000H+ + 4.000H2O
|
|
log_k 27.200 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.72E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
FeMoO4(s)
|
|
FeMoO4 = 1.000Fe+2 + 1.000MoO4-2
|
|
log_k -8.350
|
|
delta_h -11.528 #kJ/mol
|
|
# Enthalpy of formation: -1075.472 #kJ/mol
|
|
-analytic -1.03696E+1 0E+0 6.02148E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
FeO(s)
|
|
FeO = 1.000Fe+2 - 2.000H+ + 1.000H2O
|
|
log_k 13.370 #95ROB/HEM
|
|
delta_h -103.815 #kJ/mol
|
|
# Enthalpy of formation: -272.015 #kJ/mol
|
|
-analytic -4.81758E+0 0E+0 5.42263E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
FeS(am)
|
|
FeS = 1.000Fe+2 - 1.000H+ + 1.000HS-
|
|
log_k -2.950 #91DAV
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.95E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ferrihydrite(am)
|
|
Fe(OH)3 = 1.000Fe+3 - 3.000H+ + 3.000H2O
|
|
log_k 2.540 #63SCH/MIC
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.54E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ferroselite
|
|
FeSe2 = 1.000Fe+2 - 2.000H+ - 2.000e- + 2.000HSe-
|
|
log_k -17.120
|
|
delta_h 47.300 #kJ/mol
|
|
# Enthalpy of formation: -108.7 #kJ/mol #05OLI/NOL
|
|
-analytic -8.83341E+0 0E+0 -2.47065E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
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 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
|
|
# -Vm 0
|
|
|
|
Ferryhydrite
|
|
Fe(OH)3 = 1.000Fe+3 - 3.000H+ + 3.000H2O
|
|
log_k 1.190 #05GRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.19E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Fluorapatite
|
|
Ca5F(PO4)3 = 5.000Ca+2 - 6.000H+ + 1.000F- + 3.000H2(PO4)-
|
|
log_k -0.910 #74HAG
|
|
delta_h -115.603 #kJ/mol
|
|
# Enthalpy of formation: -6842.544 #kJ/mol
|
|
-analytic -2.11627E+1 0E+0 6.03836E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Fluorite
|
|
CaF2 = 1.000Ca+2 + 2.000F-
|
|
log_k -10.600 #96FAL/REA
|
|
delta_h 19.623 #kJ/mol #90NOR/PLU
|
|
# Enthalpy of formation: -1233.323 #kJ/mol
|
|
-analytic -7.1622E+0 0E+0 -1.02498E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Foshagite
|
|
Ca4Si3O9(OH)2:0.5H2O = 4.000Ca+2 - 8.000H+ + 3.000H4(SiO4) - 0.500H2O
|
|
log_k 65.960 #10BLA/BOU1
|
|
delta_h -380.237 #kJ/mol
|
|
# Enthalpy of formation: -6032.43 #kJ/mol #56NEW
|
|
-analytic -6.54565E-1 0E+0 1.98611E+4 0E+0 0E+0
|
|
-Vm 160.66
|
|
|
|
Friedel-salt
|
|
Ca4Al2(OH)12Cl2:4H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 2.000Cl- + 16.000H2O
|
|
log_k 74.930 #10BLA/BOU2
|
|
delta_h -486.200 #kJ/mol
|
|
# Enthalpy of formation: -7670.04 #kJ/mol #76HOU/STE
|
|
-analytic -1.02485E+1 0E+0 2.5396E+4 0E+0 0E+0
|
|
-Vm 276.24
|
|
|
|
Galena
|
|
PbS = 1.000Pb+2 - 1.000H+ + 1.000HS-
|
|
log_k -14.840
|
|
delta_h 82.940 #kJ/mol
|
|
# Enthalpy of formation: -98.32 #kJ/mol #98CHA
|
|
-analytic -3.09557E-1 0E+0 -4.33225E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Gaylussite
|
|
CaNa2(CO3)2:5H2O = 1.000Ca+2 + 2.000Na+ + 2.000CO3-2 + 5.000H2O
|
|
log_k -9.430 #99KON/KON
|
|
delta_h 31.099 #kJ/mol
|
|
# Enthalpy of formation: -3834.387 #kJ/mol
|
|
-analytic -3.9817E+0 0E+0 -1.62441E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Gibbsite
|
|
Al(OH)3 = 1.000Al+3 - 3.000H+ + 3.000H2O
|
|
log_k 7.740 #95POK/HEL
|
|
delta_h -102.784 #kJ/mol
|
|
# Enthalpy of formation: -1293.105 #kJ/mol
|
|
-analytic -1.0267E+1 0E+0 5.36877E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Gismondine
|
|
Ca2Al4Si4O16:9H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 4.000H4(SiO4) + 9.000H2O
|
|
log_k 38.970
|
|
delta_h -477.046 #kJ/mol
|
|
# Enthalpy of formation: -11179.8 #kJ/mol #89CHE/RIM
|
|
-analytic -4.46047E+1 0E+0 2.49178E+4 0E+0 0E+0
|
|
-Vm 315.07
|
|
|
|
Glaserite
|
|
Na2K6(SO4)4 = 6.000K+ + 2.000Na+ + 4.000SO4-2
|
|
log_k -7.610 #80HAR/WEA
|
|
delta_h 78.360 #kJ/mol
|
|
# Enthalpy of formation: -5709.24 #kJ/mol #80HAR/WEA
|
|
-analytic 6.11806E+0 0E+0 -4.09302E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Glauberite
|
|
Na2Ca(SO4)2 = 1.000Ca+2 + 2.000Na+ + 2.000SO4-2
|
|
log_k 1.970 #84HAR/MOL
|
|
delta_h -13.160 #kJ/mol
|
|
# Enthalpy of formation: -2829.2 #kJ/mol #82WAG/EVA
|
|
-analytic -3.3553E-1 0E+0 6.87394E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Glauconite
|
|
(K0.75Mg0.25Fe1.5Al0.25)(Al0.25Si3.75)O10(OH)2 = 0.250Mg+2 + 0.750K+ + 1.250Fe+3 + 0.250Fe+2 + 0.500Al+3 - 7.000H+ + 3.750H4(SiO4) - 3.000H2O
|
|
log_k 1.860
|
|
delta_h -129.663 #kJ/mol
|
|
# Enthalpy of formation: -5151.13 #kJ/mol #15BLA/VIE
|
|
-analytic -2.08559E+1 0E+0 6.77276E+3 0E+0 0E+0
|
|
-Vm 139.76
|
|
|
|
Goethite
|
|
FeOOH = 1.000Fe+3 - 3.000H+ + 2.000H2O
|
|
log_k 0.390 #63SCH/MIC
|
|
delta_h -61.541 #kJ/mol
|
|
# Enthalpy of formation: -559.119 #kJ/mol
|
|
-analytic -1.03915E+1 0E+0 3.21451E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Greenalite
|
|
Fe3Si2O5(OH)4 = 3.000Fe+2 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O
|
|
log_k 21.760
|
|
delta_h -177.218 #kJ/mol
|
|
# Enthalpy of formation: -3301 #kJ/mol #83MIY/KLE
|
|
-analytic -9.28722E+0 0E+0 9.25673E+3 0E+0 0E+0
|
|
-Vm 115
|
|
|
|
Gypsum
|
|
CaSO4:2H2O = 1.000Ca+2 + 1.000SO4-2 + 2.000H2O
|
|
log_k -4.610
|
|
delta_h -1.050 #kJ/mol
|
|
# Enthalpy of formation: -2022.95 #kJ/mol #87GAR/PAR
|
|
-analytic -4.79395E+0 0E+0 5.48452E+1 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Gyrolite
|
|
Ca2Si3O7.5(OH):2H2O = 2.000Ca+2 - 4.000H+ + 3.000H4(SiO4) - 1.500H2O
|
|
log_k 22.340 #10BLA/BOU1
|
|
delta_h -122.847 #kJ/mol
|
|
# Enthalpy of formation: -4917.99 #kJ/mol #10BLA/BOU1
|
|
-analytic 8.18161E-1 0E+0 6.41674E+3 0E+0 0E+0
|
|
-Vm 137.34
|
|
|
|
H2MoO4(s)
|
|
H2MoO4 = 2.000H+ + 1.000MoO4-2
|
|
log_k -13.170
|
|
delta_h 48.763 #kJ/mol
|
|
# Enthalpy of formation: -1045.763 #kJ/mol
|
|
-analytic -4.6271E+0 0E+0 -2.54707E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
H3Cit:H2O(cr)
|
|
H3Cit:H2O = 3.000H+ + 1.000Cit-3 + 1.000H2O
|
|
log_k -12.940 #05HUM/AND
|
|
delta_h 32.710 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -1838.46 #kJ/mol
|
|
-analytic -7.20946E+0 0E+0 -1.70856E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
H4Edta(cr)
|
|
H4Edta = 4.000H+ + 1.000Edta-4
|
|
log_k -27.220 #05HUM/AND
|
|
delta_h 55.000 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -1759.8 #kJ/mol
|
|
-analytic -1.75844E+1 0E+0 -2.87285E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
HBeidellite-Ca
|
|
Ca0.17Al2.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O
|
|
log_k 2.090
|
|
delta_h -160.492 #kJ/mol
|
|
# Enthalpy of formation: -7056.996 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -2.6027E+1 0E+0 8.38307E+3 0E+0 0E+0
|
|
-Vm 214.55
|
|
|
|
HBeidellite-K
|
|
K0.34Al2.34Si3.66O10(OH)2:1.96H2O = 0.340K+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O
|
|
log_k 2.220
|
|
delta_h -167.142 #kJ/mol
|
|
# Enthalpy of formation: -6332.047 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -2.7062E+1 0E+0 8.73042E+3 0E+0 0E+0
|
|
-Vm 168.65
|
|
|
|
HBeidellite-Mg
|
|
Mg0.17Al2.34Si3.66O10(OH)2:4.61H2O = 0.170Mg+2 + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O
|
|
log_k 2.210
|
|
delta_h -159.892 #kJ/mol
|
|
# Enthalpy of formation: -7090.409 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -2.58018E+1 0E+0 8.35173E+3 0E+0 0E+0
|
|
-Vm 212.61
|
|
|
|
HBeidellite-Na
|
|
Na0.34Al2.34Si3.66O10(OH)2:3.84H2O = 0.340Na+ + 2.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O
|
|
log_k 1.830
|
|
delta_h -171.523 #kJ/mol
|
|
# Enthalpy of formation: -6861.015 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -2.82195E+1 0E+0 8.95926E+3 0E+0 0E+0
|
|
-Vm 201.94
|
|
|
|
HMontmorillonite-BCCa
|
|
Ca0.17Mg0.34Al1.66Si4O10(OH)2:4.45H2O = 0.170Ca+2 + 0.340Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.450H2O
|
|
log_k 2.180
|
|
delta_h -118.558 #kJ/mol
|
|
# Enthalpy of formation: -6999.676 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -1.85904E+1 0E+0 6.19271E+3 0E+0 0E+0
|
|
-Vm 216.02
|
|
|
|
HMontmorillonite-BCK
|
|
K0.34Mg0.34Al1.66Si4O10(OH)2:1.96H2O = 0.340Mg+2 + 0.340K+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 2.040H2O
|
|
log_k 2.070
|
|
delta_h -123.827 #kJ/mol
|
|
# Enthalpy of formation: -6276.107 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -1.96235E+1 0E+0 6.46793E+3 0E+0 0E+0
|
|
-Vm 170.13
|
|
|
|
HMontmorillonite-BCMg
|
|
Mg0.17Mg0.34Al1.66Si4O10(OH)2:4.61H2O = 0.510Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.610H2O
|
|
log_k 2.330
|
|
delta_h -118.107 #kJ/mol
|
|
# Enthalpy of formation: -7032.939 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -1.83614E+1 0E+0 6.16915E+3 0E+0 0E+0
|
|
-Vm 214.08
|
|
|
|
HMontmorillonite-BCNa
|
|
Na0.34Mg0.34Al1.66Si4O10(OH)2:3.84H2O = 0.340Mg+2 + 0.340Na+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 0.160H2O
|
|
log_k 1.770
|
|
delta_h -128.688 #kJ/mol
|
|
# Enthalpy of formation: -6804.595 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -2.07751E+1 0E+0 6.72183E+3 0E+0 0E+0
|
|
-Vm 203.42
|
|
|
|
HMontmorillonite-HCCa
|
|
Ca0.3Mg0.6Al1.4Si4O10(OH)2:4.45H2O = 0.300Ca+2 + 0.600Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.450H2O
|
|
log_k 6.150
|
|
delta_h -134.134 #kJ/mol
|
|
# Enthalpy of formation: -7036.126 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -1.73492E+1 0E+0 7.0063E+3 0E+0 0E+0
|
|
-Vm 220.76
|
|
|
|
HMontmorillonite-HCK
|
|
K0.6Mg0.6Al1.4Si4O10(OH)2:1.96H2O = 0.600Mg+2 + 0.600K+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 2.040H2O
|
|
log_k 4.240
|
|
delta_h -119.730 #kJ/mol
|
|
# Enthalpy of formation: -6327.197 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -1.67358E+1 0E+0 6.25392E+3 0E+0 0E+0
|
|
-Vm 174.18
|
|
|
|
HMontmorillonite-HCMg
|
|
Mg0.3Mg0.6Al1.4Si4O10(OH)2:4.61H2O = 0.900Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) + 0.610H2O
|
|
log_k 6.470
|
|
delta_h -133.713 #kJ/mol
|
|
# Enthalpy of formation: -7059.479 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -1.69555E+1 0E+0 6.98431E+3 0E+0 0E+0
|
|
-Vm 215.18
|
|
|
|
HMontmorillonite-HCNa
|
|
Na0.6Mg0.6Al1.4Si4O10(OH)2:3.84H2O = 0.600Mg+2 + 0.600Na+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 0.160H2O
|
|
log_k 4.540
|
|
delta_h -132.492 #kJ/mol
|
|
# Enthalpy of formation: -6844.715 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -1.86716E+1 0E+0 6.92053E+3 0E+0 0E+0
|
|
-Vm 206.92
|
|
|
|
HNontronite-Ca
|
|
Ca0.17Fe1.67Al0.67Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O
|
|
log_k -2.850
|
|
delta_h -109.854 #kJ/mol
|
|
# Enthalpy of formation: -6290.336 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -2.20956E+1 0E+0 5.73807E+3 0E+0 0E+0
|
|
-Vm 214.18
|
|
|
|
HNontronite-K
|
|
K0.34Fe1.67Al0.67Si3.66O10(OH)2:1.96H2O = 0.340K+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O
|
|
log_k 0.420
|
|
delta_h -116.514 #kJ/mol
|
|
# Enthalpy of formation: -5565.377 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -1.99923E+1 0E+0 6.08594E+3 0E+0 0E+0
|
|
-Vm 168.28
|
|
|
|
HNontronite-Mg
|
|
Mg0.17Fe1.67Al0.67Si3.66O10(OH)2:4.61H2O = 0.170Mg+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O
|
|
log_k -2.560
|
|
delta_h -109.254 #kJ/mol
|
|
# Enthalpy of formation: -6323.749 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -2.17005E+1 0E+0 5.70673E+3 0E+0 0E+0
|
|
-Vm 212.67
|
|
|
|
HNontronite-Na
|
|
Na0.34Fe1.67Al0.67Si3.66O10(OH)2:3.84H2O = 0.340Na+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O
|
|
log_k -3.110
|
|
delta_h -120.885 #kJ/mol
|
|
# Enthalpy of formation: -6094.355 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -2.42881E+1 0E+0 6.31425E+3 0E+0 0E+0
|
|
-Vm 201.57
|
|
|
|
HSaponite-Ca
|
|
Ca0.17Mg3Al0.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 3.000Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O
|
|
log_k 28.360
|
|
delta_h -239.662 #kJ/mol
|
|
# Enthalpy of formation: -7302.026 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -1.36269E+1 0E+0 1.25184E+4 0E+0 0E+0
|
|
-Vm 223.01
|
|
|
|
HSaponite-FeCa
|
|
Ca0.17Mg2FeAl0.34Si3.66O10(OH)2:4.45H2O = 0.170Ca+2 + 2.000Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.810H2O
|
|
log_k 27.950
|
|
delta_h -235.552 #kJ/mol
|
|
# Enthalpy of formation: -6929.136 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -1.33169E+1 0E+0 1.23037E+4 0E+0 0E+0
|
|
-Vm 225.59
|
|
|
|
HSaponite-FeK
|
|
K0.34Mg2FeAl0.34Si3.66O10(OH)2:1.96H2O = 2.000Mg+2 + 0.340K+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O
|
|
log_k 28.090
|
|
delta_h -242.212 #kJ/mol
|
|
# Enthalpy of formation: -6204.177 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -1.43437E+1 0E+0 1.26516E+4 0E+0 0E+0
|
|
-Vm 179.69
|
|
|
|
HSaponite-FeMg
|
|
Mg0.17Mg2FeAl0.34Si3.66O10(OH)2:4.61H2O = 2.170Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O
|
|
log_k 28.050
|
|
delta_h -234.962 #kJ/mol
|
|
# Enthalpy of formation: -6962.539 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -1.31135E+1 0E+0 1.22729E+4 0E+0 0E+0
|
|
-Vm 223.85
|
|
|
|
HSaponite-FeNa
|
|
Na0.34Mg2FeAl0.34Si3.66O10(OH)2:3.84H2O = 2.000Mg+2 + 0.340Na+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O
|
|
log_k 27.700
|
|
delta_h -246.583 #kJ/mol
|
|
# Enthalpy of formation: -6733.155 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -1.54994E+1 0E+0 1.28799E+4 0E+0 0E+0
|
|
-Vm 212.99
|
|
|
|
HSaponite-K
|
|
K0.34Mg3Al0.34Si3.66O10(OH)2:1.96H2O = 3.000Mg+2 + 0.340K+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 0.680H2O
|
|
log_k 28.490
|
|
delta_h -246.322 #kJ/mol
|
|
# Enthalpy of formation: -6577.067 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -1.46637E+1 0E+0 1.28663E+4 0E+0 0E+0
|
|
-Vm 177.11
|
|
|
|
HSaponite-Mg
|
|
Mg0.17Mg3Al0.34Si3.66O10(OH)2:4.61H2O = 3.170Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.970H2O
|
|
log_k 28.480
|
|
delta_h -239.062 #kJ/mol
|
|
# Enthalpy of formation: -7335.439 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -1.34018E+1 0E+0 1.24871E+4 0E+0 0E+0
|
|
-Vm 221.08
|
|
|
|
HSaponite-Na
|
|
Na0.34Mg3Al0.34Si3.66O10(OH)2:3.84H2O = 3.000Mg+2 + 0.340Na+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) + 1.200H2O
|
|
log_k 28.030
|
|
delta_h -250.288 #kJ/mol
|
|
# Enthalpy of formation: -7106.45 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -1.58185E+1 0E+0 1.30734E+4 0E+0 0E+0
|
|
-Vm 210.4
|
|
|
|
HVermiculite-Ca
|
|
Ca0.43Mg3.00Si3.14Al0.86O10(OH)2:4.45H2O = 0.430Ca+2 + 3.000Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 3.890H2O
|
|
log_k 97.820
|
|
delta_h -683.046 #kJ/mol
|
|
# Enthalpy of formation: -7114.496 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -2.18443E+1 0E+0 3.56779E+4 0E+0 0E+0
|
|
-Vm 219.36
|
|
|
|
HVermiculite-K
|
|
K0.86Mg3.00Si3.14Al0.86O10(OH)2:1.96H2O = 3.000Mg+2 + 0.860K+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 1.400H2O
|
|
log_k 87.680
|
|
delta_h -609.749 #kJ/mol
|
|
# Enthalpy of formation: -6459.427 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -1.91433E+1 0E+0 3.18494E+4 0E+0 0E+0
|
|
-Vm 175.49
|
|
|
|
HVermiculite-Mg
|
|
Mg0.43Mg3.00Si3.14Al0.86O10(OH)2:4.61H2O = 3.430Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 4.050H2O
|
|
log_k 68.180
|
|
delta_h -523.376 #kJ/mol
|
|
# Enthalpy of formation: -7287.219 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -2.35114E+1 0E+0 2.73378E+4 0E+0 0E+0
|
|
-Vm 222.24
|
|
|
|
HVermiculite-Na
|
|
Na0.86Mg3.00Si3.14Al0.86O10(OH)2:3.84H2O = 3.000Mg+2 + 0.860Na+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) + 3.280H2O
|
|
log_k 96.520
|
|
delta_h -673.353 #kJ/mol
|
|
# Enthalpy of formation: -6923.035 #kJ/mol #13BLA/VI; 11VIE/BLA
|
|
-analytic -2.14462E+1 0E+0 3.51716E+4 0E+0 0E+0
|
|
-Vm 210.12
|
|
|
|
Halite
|
|
NaCl = 1.000Na+ + 1.000Cl-
|
|
log_k 1.590
|
|
delta_h 3.700 #kJ/mol
|
|
# Enthalpy of formation: -411.12 #kJ/mol #98CHA
|
|
-analytic 2.23821E+0 0E+0 -1.93264E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Halloysite
|
|
Al2Si2O5(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O
|
|
log_k 10.320
|
|
delta_h -192.418 #kJ/mol
|
|
# Enthalpy of formation: -4092.6 #kJ/mol #99DEL/NAV
|
|
-analytic -2.33901E+1 0E+0 1.00507E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Hausmannite
|
|
Mn3O4 = 3.000Mn+2 - 8.000H+ - 2.000e- + 4.000H2O
|
|
log_k 61.320 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.132E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Heazlewoodite
|
|
Ni3S2 = 3.000Ni+2 - 2.000H+ + 2.000e- + 2.000HS-
|
|
log_k -17.230
|
|
delta_h 19.564 #kJ/mol
|
|
# Enthalpy of formation: -217.2 #kJ/mol #05GAM/BUG
|
|
-analytic -1.38025E+1 0E+0 -1.0219E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Hematite
|
|
Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O
|
|
log_k -1.020 #05GRI
|
|
delta_h -123.704 #kJ/mol
|
|
# Enthalpy of formation: -831.784 #kJ/mol
|
|
-analytic -2.2692E+1 0E+0 6.4615E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Hemicarboaluminate
|
|
Ca6O6:Al4O6:CaCO3:Ca(OH)2:21H2O = 8.000Ca+2 + 4.000Al+3 - 26.000H+ + 1.000CO3-2 + 35.000H2O
|
|
log_k 173.200 #07MAT/LOT1
|
|
delta_h -1189.079 #kJ/mol
|
|
# Enthalpy of formation: -15987.789 #kJ/mol
|
|
-analytic -3.51174E+1 0E+0 6.21098E+4 0E+0 0E+0
|
|
-Vm 569.02
|
|
|
|
Herzenbergite
|
|
SnS = 1.000Sn+2 - 1.000H+ + 1.000HS-
|
|
log_k -16.210
|
|
delta_h 83.683 #kJ/mol
|
|
# Enthalpy of formation: -109.6 #kJ/mol #12GAM/GAJ
|
|
-analytic -1.54939E+0 0E+0 -4.37106E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Heulandite_Ca
|
|
Ca1.07Al2.14Si6.86O18:6.17H2O = 1.070Ca+2 + 2.140Al+3 - 8.560H+ + 6.860H4(SiO4) - 3.270H2O
|
|
log_k 2.460 #09BLA
|
|
delta_h -155.113 #kJ/mol
|
|
# Enthalpy of formation: -10667.2 #kJ/mol #09BLA
|
|
-analytic -2.47146E+1 0E+0 8.1021E+3 0E+0 0E+0
|
|
-Vm 322.06
|
|
|
|
Heulandite_Na
|
|
Na2.14Al2.14Si6.86O18:6.17H2O = 2.140Na+ + 2.140Al+3 - 8.560H+ + 6.860H4(SiO4) - 3.270H2O
|
|
log_k 2.800 #09BLA
|
|
delta_h -142.780 #kJ/mol
|
|
# Enthalpy of formation: -10612.85 #kJ/mol #09BLA
|
|
-analytic -2.22139E+1 0E+0 7.45791E+3 0E+0 0E+0
|
|
-Vm 325
|
|
|
|
Hexahydrite
|
|
Mg(SO4):6H2O = 1.000Mg+2 + 1.000SO4-2 + 6.000H2O
|
|
log_k -1.640 #84HAR/MOL
|
|
delta_h -4.625 #kJ/mol
|
|
# Enthalpy of formation: -3086.692 #kJ/mol
|
|
-analytic -2.45026E+0 0E+0 2.4158E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Hf(HPO4)2:H2O(s)
|
|
Hf(HPO4)2:H2O = - 2.000H+ + 2.000H2(PO4)- + 1.000Hf+4 + 1.000H2O
|
|
log_k -21.050 #25HEV/KIM recalculated
|
|
delta_h -38.340 #kJ/mol
|
|
# Enthalpy of formation: -3481.6 #kJ/mol #97KAR/CHE
|
|
-analytic -2.77669E+1 0E+0 2.00263E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Hf(cr)
|
|
Hf = 4.000e- + 1.000Hf+4
|
|
log_k 97.200
|
|
delta_h -628.910 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #79ROB/HEM
|
|
-analytic -1.29801E+1 0E+0 3.28502E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
HfO2(am)
|
|
HfO2 = - 4.000H+ + 1.000Hf+4 + 2.000H2O
|
|
log_k 0.900 #01RAI/XIA
|
|
delta_h -98.870 #kJ/mol
|
|
# Enthalpy of formation: -1101.7 #kJ/mol #98KAR/CHE
|
|
-analytic -1.64213E+1 0E+0 5.16433E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
HfO2(cr)
|
|
HfO2 = - 4.000H+ + 1.000Hf+4 + 2.000H2O
|
|
log_k -5.620
|
|
delta_h -82.940 #kJ/mol
|
|
# Enthalpy of formation: -1117.63 #kJ/mol #75KOR/USH
|
|
-analytic -2.01504E+1 0E+0 4.33225E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Hillebrandite
|
|
Ca2SiO3(OH)2:0.17H2O = 2.000Ca+2 - 4.000H+ + 1.000H4(SiO4) + 1.170H2O
|
|
log_k 36.950 #10BLA/BOU1
|
|
delta_h -219.135 #kJ/mol
|
|
# Enthalpy of formation: -2662.48 #kJ/mol #56NEW
|
|
-analytic -1.44075E+0 0E+0 1.14462E+4 0E+0 0E+0
|
|
-Vm 72.58
|
|
|
|
Ho(OH)3(am)
|
|
Ho(OH)3 = - 3.000H+ + 1.000Ho+3 + 3.000H2O
|
|
log_k 17.480 #98DIA/RAG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.748E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ho(OH)3(s)
|
|
Ho(OH)3 = - 3.000H+ + 1.000Ho+3 + 3.000H2O
|
|
log_k 15.430 #98DIA/RAG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.543E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ho(PO4):xH2O(s)
|
|
Ho(PO4) = - 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)-
|
|
log_k -4.640 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.64E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ho(cr)
|
|
Ho = 1.000Ho+3 + 3.000e-
|
|
log_k 118.310
|
|
delta_h -707.042 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #82WAG/EVA
|
|
-analytic -5.55826E+0 0E+0 3.69313E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ho2(CO3)3(cr)
|
|
Ho2(CO3)3 = 2.000Ho+3 + 3.000CO3-2
|
|
log_k -33.800 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.38E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ho2O3(s)
|
|
Ho2O3 = - 6.000H+ + 2.000Ho+3 + 3.000H2O
|
|
log_k 47.410
|
|
delta_h -390.706 #kJ/mol
|
|
# Enthalpy of formation: -1880.868 #kJ/mol
|
|
-analytic -2.10387E+1 0E+0 2.0408E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
HoCl3:6H2O(s)
|
|
HoCl3:6H2O = 1.000Ho+3 + 3.000Cl- + 6.000H2O
|
|
log_k 5.390 #95SPA/BRU
|
|
delta_h -43.846 #kJ/mol
|
|
# Enthalpy of formation: -2879.413 #kJ/mol
|
|
-analytic -2.29148E+0 0E+0 2.29023E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
HoF3:0.5H2O(s)
|
|
HoF3:0.5H2O = 1.000Ho+3 + 3.000F- + 0.500H2O
|
|
log_k -16.400 #95SPA/BRU
|
|
delta_h -149.007 #kJ/mol
|
|
# Enthalpy of formation: -1707 #kJ/mol #82WAG/EVA
|
|
-analytic -4.25049E+1 0E+0 7.78317E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
HoPO4:H2O(cr)
|
|
HoPO4:H2O = - 2.000H+ + 1.000Ho+3 + 1.000H2(PO4)- + 1.000H2O
|
|
log_k -5.560 #97LIU/BYR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.56E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Hydrocerussite
|
|
Pb3(CO3)2(OH)2 = 3.000Pb+2 - 2.000H+ + 2.000CO3-2 + 2.000H2O
|
|
log_k -17.910
|
|
delta_h -5.160 #kJ/mol
|
|
# Enthalpy of formation: -1914.2 #kJ/mol #83SAN/BAR
|
|
-analytic -1.8814E+1 0E+0 2.69525E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Hydrophilite
|
|
CaCl2 = 1.000Ca+2 + 2.000Cl-
|
|
log_k 11.770
|
|
delta_h -81.360 #kJ/mol
|
|
# Enthalpy of formation: -795.8 #kJ/mol #98CHA
|
|
-analytic -2.48364E+0 0E+0 4.24972E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Hydrotalcite
|
|
Mg4Al2(OH)14:3H2O = 4.000Mg+2 + 2.000Al+3 - 14.000H+ + 17.000H2O
|
|
log_k 73.740 #92ATK/GLA
|
|
delta_h -584.220 #kJ/mol
|
|
# Enthalpy of formation: -7219.684 #kJ/mol
|
|
-analytic -2.86108E+1 0E+0 3.05159E+4 0E+0 0E+0
|
|
-Vm 227.36
|
|
|
|
Hydrotalcite-CO3
|
|
Mg4Al2(OH)12CO3:2H2O = 4.000Mg+2 + 2.000Al+3 - 12.000H+ + 1.000CO3-2 + 14.000H2O
|
|
log_k 50.860 #03JOH/GLA
|
|
delta_h -542.756 #kJ/mol
|
|
# Enthalpy of formation: -7078.889 #kJ/mol
|
|
-analytic -4.42266E+1 0E+0 2.83501E+4 0E+0 0E+0
|
|
-Vm 231.46
|
|
|
|
Hydroxyapatite
|
|
Ca5(OH)(PO4)3 = 5.000Ca+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O
|
|
log_k 14.350 #84NAN
|
|
delta_h -178.487 #kJ/mol
|
|
# Enthalpy of formation: -6730.141 #kJ/mol
|
|
-analytic -1.69195E+1 0E+0 9.32301E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
I2(cr)
|
|
I2 = - 2.000e- + 2.000I-
|
|
log_k 18.120
|
|
delta_h -113.560 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
|
|
-analytic -1.77483E+0 0E+0 5.93164E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Illite-Al
|
|
K0.85Al2.85Si3.15O10(OH)2 = 0.850K+ + 2.850Al+3 - 9.400H+ + 3.150H4(SiO4) - 0.600H2O
|
|
log_k 13.020
|
|
delta_h -266.372 #kJ/mol
|
|
# Enthalpy of formation: -5913.65 #kJ/mol #15BLA/VIE
|
|
-analytic -3.36463E+1 0E+0 1.39136E+4 0E+0 0E+0
|
|
-Vm 138.98
|
|
|
|
Illite-FeII
|
|
K0.85Fe0.25Al2.35Si3.4O10(OH)2 = 0.850K+ + 0.250Fe+2 + 2.350Al+3 - 8.400H+ + 3.400H4(SiO4) - 1.600H2O
|
|
log_k 9.450
|
|
delta_h -216.501 #kJ/mol
|
|
# Enthalpy of formation: -5796.29 #kJ/mol #15BLA/VIE
|
|
-analytic -2.84793E+1 0E+0 1.13086E+4 0E+0 0E+0
|
|
-Vm 140.67
|
|
|
|
Illite-Mg
|
|
K0.85Mg0.25Al2.35Si3.4O10(OH)2 = 0.250Mg+2 + 0.850K+ + 2.350Al+3 - 8.400H+ + 3.400H4(SiO4) - 1.600H2O
|
|
log_k 11.010
|
|
delta_h -225.651 #kJ/mol
|
|
# Enthalpy of formation: -5881.39 #kJ/mol #15BLA/VIE
|
|
-analytic -2.85223E+1 0E+0 1.17866E+4 0E+0 0E+0
|
|
-Vm 140.06
|
|
|
|
Illite-Smec_ISCz-1(2.996H2O)
|
|
(Na0.134K0.53)(Si3.565Al0.435)(Al1.717Fe0.05Fe0.017Mg0.218)O10(OH)2:2.996H2O = 0.218Mg+2 + 0.530K+ + 0.134Na+ + 0.050Fe+3 + 0.017Fe+2 + 2.152Al+3 - 7.740H+ + 3.565H4(SiO4) + 0.736H2O
|
|
log_k 13.610
|
|
delta_h -225.170 #kJ/mol
|
|
# Enthalpy of formation: -6624.62 #kJ/mol #09GAI
|
|
-analytic -2.5838E+1 0E+0 1.17614E+4 0E+0 0E+0
|
|
-Vm 192.42
|
|
|
|
Illite/smectiteISCz-1
|
|
(Ca0.092K0.439)(Si3.559Al0.441)(Al1.728Fe0.011Fe0.034Mg0.255)O10(OH)2 = 0.092Ca+2 + 0.255Mg+2 + 0.439K+ + 0.034Fe+3 + 0.011Fe+2 + 2.169Al+3 - 7.764H+ + 3.559H4(SiO4) - 2.236H2O
|
|
log_k 10.890
|
|
delta_h -224.050 #kJ/mol
|
|
# Enthalpy of formation: -5787.4 #kJ/mol #14BLA/GAI
|
|
-analytic -2.83618E+1 0E+0 1.17029E+4 0E+0 0E+0
|
|
-Vm 137.13
|
|
|
|
Illite_Imt-2
|
|
(Na0.044K0.762)(Si3.387Al0.613)(Al1.427Fe0.292Fe0.084Mg0.241)O10(OH)2 = 0.241Mg+2 + 0.762K+ + 0.044Na+ + 0.292Fe+3 + 0.084Fe+2 + 2.040Al+3 - 8.452H+ + 3.387H4(SiO4) - 1.548H2O
|
|
log_k 11.520
|
|
delta_h -230.806 #kJ/mol
|
|
# Enthalpy of formation: -5711.25 #kJ/mol #12GAI/BLA
|
|
-analytic -2.89154E+1 0E+0 1.20558E+4 0E+0 0E+0
|
|
-Vm 139.18
|
|
|
|
Jaffeite
|
|
Ca6(Si2O7)(OH)6 = 6.000Ca+2 - 12.000H+ + 2.000H4(SiO4) + 5.000H2O
|
|
log_k 114.060
|
|
delta_h -636.768 #kJ/mol
|
|
# Enthalpy of formation: -6972.77 #kJ/mol #10BLA/BOU1
|
|
-analytic 2.5032E+0 0E+0 3.32607E+4 0E+0 0E+0
|
|
-Vm 174.38
|
|
|
|
Jennite
|
|
Ca9Si6O16(OH)10:6H2O = 9.000Ca+2 - 18.000H+ + 6.000H4(SiO4) + 8.000H2O
|
|
log_k 147.330 #10BLA/BOU1
|
|
delta_h -751.764 #kJ/mol
|
|
# Enthalpy of formation: -15189.04 #kJ/mol #10BLA/BOU1
|
|
-analytic 1.56268E+1 0E+0 3.92673E+4 0E+0 0E+0
|
|
-Vm 456.4
|
|
|
|
K(NO3)(s)
|
|
K(NO3) = 1.000K+ + 1.000NO3-
|
|
log_k -0.100 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1E-1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
K(OH)(s)
|
|
K(OH) = 1.000K+ - 1.000H+ + 1.000H2O
|
|
log_k 24.600 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.46E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
K(TcO4)(s)
|
|
K(TcO4) = 1.000K+ + 1.000TcO4-
|
|
log_k -2.280
|
|
delta_h 53.560 #kJ/mol
|
|
# Enthalpy of formation: -1035.1 #kJ/mol #99RAR/RAN
|
|
-analytic 7.1033E+0 0E+0 -2.79763E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
K(cr)
|
|
K = 1.000K+ + 1.000e-
|
|
log_k 49.490
|
|
delta_h -252.140 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
|
|
-analytic 5.31703E+0 0E+0 1.31702E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
K-carbonate
|
|
K2CO3:1.5H2O = 2.000K+ + 1.000CO3-2 + 1.500H2O
|
|
log_k 3.030 #84HAR/MOL
|
|
delta_h -1.188 #kJ/mol
|
|
# Enthalpy of formation: -1607.068 #kJ/mol
|
|
-analytic 2.82187E+0 0E+0 6.20535E+1 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
K-trona
|
|
K2NaH(CO3)2:2H2O = 2.000K+ + 1.000Na+ + 1.000H+ + 2.000CO3-2 + 2.000H2O
|
|
log_k -9.100 #84HAR/MOL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -9.1E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
K2CO3(cr)
|
|
K2CO3 = 2.000K+ + 1.000CO3-2
|
|
log_k 5.410
|
|
delta_h -31.798 #kJ/mol #74NAU/RYZ
|
|
# Enthalpy of formation: -1147.712 #kJ/mol
|
|
-analytic -1.60762E-1 0E+0 1.66092E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
K2O(s)
|
|
K2O = 2.000K+ - 2.000H+ + 1.000H2O
|
|
log_k 84.110
|
|
delta_h -426.940 #kJ/mol
|
|
# Enthalpy of formation: -363.17 #kJ/mol #98CHA
|
|
-analytic 9.31343E+0 0E+0 2.23006E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
K4NpO2(CO3)3(s)
|
|
K4NpO2(CO3)3 = 4.000K+ + 1.000NpO2+2 + 3.000CO3-2
|
|
log_k -26.400 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.64E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
KAl(SO4)2(s)
|
|
KAl(SO4)2 = 1.000K+ + 1.000Al+3 + 2.000SO4-2
|
|
log_k 3.740 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.74E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
KAl(SO4)2:12H2O(s)
|
|
KAl(SO4)2:12H2O = 1.000K+ + 1.000Al+3 + 2.000SO4-2 + 12.000H2O
|
|
log_k -6.680 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.68E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
KBr(s)
|
|
KBr = 1.000K+ + 1.000Br-
|
|
log_k 1.130 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.13E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
KFe(CrO4)2:2H2O(s)
|
|
KFe(CrO4)2:2H2O = 1.000K+ + 1.000Fe+3 + 2.000CrO4-2 + 2.000H2O
|
|
log_k -19.390 #98BAR/PAL
|
|
delta_h 27.540 #kJ/mol #98BAR/PAL
|
|
# Enthalpy of formation: -2658.34 #kJ/mol
|
|
-analytic -1.45652E+1 0E+0 -1.43851E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
KFe3(CrO4)2(OH)6(cr)
|
|
KFe3(CrO4)2(OH)6 = 1.000K+ + 3.000Fe+3 - 6.000H+ + 2.000CrO4-2 + 6.000H2O
|
|
log_k -18.400 #96BAR/PAL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.84E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
KH2PO4(cr)
|
|
KH2PO4 = 1.000K+ + 1.000H2(PO4)-
|
|
log_k -0.370
|
|
delta_h 19.686 #kJ/mol #74NAU/RYZ
|
|
# Enthalpy of formation: -1574.426 #kJ/mol
|
|
-analytic 3.07883E+0 0E+0 -1.02827E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
KI(s)
|
|
KI = 1.000K+ + 1.000I-
|
|
log_k 1.740 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.74E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Kainite
|
|
KMgCl(SO4):3H2O = 1.000Mg+2 + 1.000K+ + 1.000SO4-2 + 1.000Cl- + 3.000H2O
|
|
log_k -0.190 #84HAR/MOL
|
|
delta_h -12.950 #kJ/mol
|
|
# Enthalpy of formation: -2640.1 #kJ/mol #82WAG/EVA
|
|
-analytic -2.45874E+0 0E+0 6.76425E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Kalicinite
|
|
KHCO3 = 1.000K+ + 1.000H+ + 1.000CO3-2
|
|
log_k -10.060 #84HAR/MOL
|
|
delta_h 34.950 #kJ/mol
|
|
# Enthalpy of formation: -962.32 #kJ/mol #74NAU/RYZ
|
|
-analytic -3.93703E+0 0E+0 -1.82556E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Kaolinite
|
|
Al2(Si2O5)(OH)4 = 2.000Al+3 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O
|
|
log_k 6.500
|
|
delta_h -169.718 #kJ/mol
|
|
# Enthalpy of formation: -4115.3 #kJ/mol #01FIA/NAV
|
|
-analytic -2.32333E+1 0E+0 8.86498E+3 0E+0 0E+0
|
|
-Vm 99.34
|
|
|
|
Katoite
|
|
Ca3Al2(SiO4)(OH)8 = 3.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000H4(SiO4) + 8.000H2O
|
|
log_k 71.160 #10BLA/BOU2
|
|
delta_h -545.767 #kJ/mol
|
|
# Enthalpy of formation: -5907.865 #kJ/mol
|
|
-analytic -2.44541E+1 0E+0 2.85074E+4 0E+0 0E+0
|
|
-Vm 141.51
|
|
|
|
Lanarkite
|
|
PbSO4:PbO = 2.000Pb+2 - 2.000H+ + 1.000SO4-2 + 1.000H2O
|
|
log_k 2.630 #82ABD/THO
|
|
delta_h -39.234 #kJ/mol
|
|
# Enthalpy of formation: -1154.096 #kJ/mol
|
|
-analytic -4.24349E+0 0E+0 2.04933E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Lansfordite
|
|
Mg(CO3):5H2O = 1.000Mg+2 + 1.000CO3-2 + 5.000H2O
|
|
log_k -5.040
|
|
delta_h 2.890 #kJ/mol
|
|
# Enthalpy of formation: -2574.27 #kJ/mol #99KON/KON
|
|
-analytic -4.53369E+0 0E+0 -1.50955E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Laumontite
|
|
CaAl2Si4O12:4H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4)
|
|
log_k 11.670
|
|
delta_h -213.576 #kJ/mol
|
|
# Enthalpy of formation: -7251 #kJ/mol #96KIS/NAV
|
|
-analytic -2.57469E+1 0E+0 1.11558E+4 0E+0 0E+0
|
|
-Vm 207.53
|
|
|
|
Laurionite
|
|
PbClOH = 1.000Pb+2 - 1.000H+ + 1.000Cl- + 1.000H2O
|
|
log_k 0.620 #99LOT/OCH
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.2E-1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Lawrencite
|
|
FeCl2 = 1.000Fe+2 + 2.000Cl-
|
|
log_k 8.890
|
|
delta_h -82.460 #kJ/mol
|
|
# Enthalpy of formation: -341.7 #kJ/mol #95ROB/HEM
|
|
-analytic -5.55635E+0 0E+0 4.30718E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Leonhardtite
|
|
MgSO4:4H2O = 1.000Mg+2 + 1.000SO4-2 + 4.000H2O
|
|
log_k -0.890 #80HAR/WEA
|
|
delta_h -24.030 #kJ/mol
|
|
# Enthalpy of formation: -2495.63 #kJ/mol #74NAU/RYZ
|
|
-analytic -5.09987E+0 0E+0 1.25517E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Leonite
|
|
K2Mg(SO4)2:4H2O = 1.000Mg+2 + 2.000K+ + 2.000SO4-2 + 4.000H2O
|
|
log_k -3.980 #84HAR/MOL
|
|
delta_h 15.290 #kJ/mol
|
|
# Enthalpy of formation: -3948.57 #kJ/mol #74NAU/RYZ
|
|
-analytic -1.30131E+0 0E+0 -7.98651E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Lepidocrocite
|
|
FeOOH = 1.000Fe+3 - 3.000H+ + 2.000H2O
|
|
log_k 0.750 #98DIA2 in 98CHI
|
|
delta_h -64.222 #kJ/mol
|
|
# Enthalpy of formation: -556.438 #kJ/mol
|
|
-analytic -1.05012E+1 0E+0 3.35454E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Li(cr)
|
|
Li = 1.000e- + 1.000Li+
|
|
log_k 51.320
|
|
delta_h -278.470 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
|
|
-analytic 2.53422E+0 0E+0 1.45455E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Linnaeite
|
|
Co3S4 = 3.000Co+2 - 4.000H+ - 2.000e- + 4.000HS-
|
|
log_k -42.760
|
|
delta_h 136.500 #kJ/mol
|
|
# Enthalpy of formation: -374.5 #kJ/mol #95ROB/HEM
|
|
-analytic -1.88463E+1 0E+0 -7.12988E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Litharge
|
|
PbO = 1.000Pb+2 - 2.000H+ + 1.000H2O
|
|
log_k 12.630
|
|
delta_h -65.501 #kJ/mol
|
|
# Enthalpy of formation: -219.409 #kJ/mol #98CHA
|
|
-analytic 1.15473E+0 0E+0 3.42135E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Lizardite
|
|
Mg3Si2O5(OH)4 = 3.000Mg+2 - 6.000H+ + 2.000H4(SiO4) + 1.000H2O
|
|
log_k 33.080
|
|
delta_h -247.218 #kJ/mol
|
|
# Enthalpy of formation: -4362 #kJ/mol #04EVA
|
|
-analytic -1.02307E+1 0E+0 1.29131E+4 0E+0 0E+0
|
|
-Vm 107.5
|
|
|
|
Mackinawite
|
|
FeS = 1.000Fe+2 - 1.000H+ + 1.000HS-
|
|
log_k -3.600 #91DAV
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.6E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Maghemite(disord)
|
|
Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O
|
|
log_k 3.310 #98DIA1 in 98CHI
|
|
delta_h -148.420 #kJ/mol
|
|
# Enthalpy of formation: -807.069 #kJ/mol
|
|
-analytic -2.2692E+1 0E+0 7.75251E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Maghemite(ord)
|
|
Fe2O3 = 2.000Fe+3 - 6.000H+ + 3.000H2O
|
|
log_k 3.520 #98DIA1 in 98CHI
|
|
delta_h -150.811 #kJ/mol
|
|
# Enthalpy of formation: -804.678 #kJ/mol
|
|
-analytic -2.29009E+1 0E+0 7.8774E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Magnesite(nat)
|
|
MgCO3 = 1.000Mg+2 + 1.000CO3-2
|
|
log_k -8.910
|
|
delta_h -24.290 #kJ/mol
|
|
# Enthalpy of formation: -1117.94 #kJ/mol #99KON/KON
|
|
-analytic -1.31654E+1 0E+0 1.26875E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Magnesite(syn)
|
|
Mg(CO3) = 1.000Mg+2 + 1.000CO3-2
|
|
log_k -8.100
|
|
delta_h -28.930 #kJ/mol
|
|
# Enthalpy of formation: -1113.3 #kJ/mol #95ROB/HEM
|
|
-analytic -1.31683E+1 0E+0 1.51112E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Magnetite
|
|
Fe3O4 = 2.000Fe+3 + 1.000Fe+2 - 8.000H+ + 4.000H2O
|
|
log_k 10.410
|
|
delta_h -215.920 #kJ/mol
|
|
# Enthalpy of formation: -1115.4 #kJ/mol #88ONE
|
|
-analytic -2.74175E+1 0E+0 1.12783E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Manganite
|
|
MnOOH = 1.000Mn+2 - 3.000H+ - 1.000e- + 2.000H2O
|
|
log_k 25.270 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.527E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Margarite
|
|
CaAl4Si2O10(OH)2 = 1.000Ca+2 + 4.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O
|
|
log_k 36.990
|
|
delta_h -518.308 #kJ/mol
|
|
# Enthalpy of formation: -6244 #kJ/mol #95ROB/HEM
|
|
-analytic -5.38135E+1 0E+0 2.70731E+4 0E+0 0E+0
|
|
-Vm 129.63
|
|
|
|
Massicot
|
|
PbO = 1.000Pb+2 - 2.000H+ + 1.000H2O
|
|
log_k 12.740
|
|
delta_h -66.848 #kJ/mol
|
|
# Enthalpy of formation: -218.062 #kJ/mol #98CHA
|
|
-analytic 1.02875E+0 0E+0 3.49171E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Melanterite
|
|
FeSO4:7H2O = 1.000Fe+2 + 1.000SO4-2 + 7.000H2O
|
|
log_k -2.210 #90NOR/PLU
|
|
delta_h 20.543 #kJ/mol #90NOR/PLU
|
|
# Enthalpy of formation: -3020.693 #kJ/mol
|
|
-analytic 1.38897E+0 0E+0 -1.07303E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mercallite
|
|
KHSO4 = 1.000K+ + 1.000H+ + 1.000SO4-2
|
|
log_k -1.400 #84HAR/MOL
|
|
delta_h -0.590 #kJ/mol
|
|
# Enthalpy of formation: -1160.89 #kJ/mol #74NAU/RYZ
|
|
-analytic -1.50336E+0 0E+0 3.08178E+1 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Merlinoite_K
|
|
K1.04Al1.04Si1.96O6:1.69H2O = 1.040K+ + 1.040Al+3 - 4.160H+ + 1.960H4(SiO4) - 0.150H2O
|
|
log_k 9.470
|
|
delta_h -105.627 #kJ/mol
|
|
# Enthalpy of formation: -3537.6 #kJ/mol #09BLA
|
|
-analytic -9.03503E+0 0E+0 5.51727E+3 0E+0 0E+0
|
|
-Vm 112.91
|
|
|
|
Merlinoite_Na
|
|
Na1.04Al1.04Si1.96O6:2.27H2O = 1.040Na+ + 1.040Al+3 - 4.160H+ + 1.960H4(SiO4) + 0.430H2O
|
|
log_k 10.290
|
|
delta_h -115.307 #kJ/mol
|
|
# Enthalpy of formation: -3681.43 #kJ/mol #09BLA
|
|
-analytic -9.91089E+0 0E+0 6.0229E+3 0E+0 0E+0
|
|
-Vm 114.04
|
|
|
|
Mg(HPO4):3H2O(s)
|
|
Mg(HPO4):3H2O = 1.000Mg+2 - 1.000H+ + 1.000H2(PO4)- + 3.000H2O
|
|
log_k 1.410 #01WEN/MUS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.41E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mg(NO3)2(s)
|
|
Mg(NO3)2 = 1.000Mg+2 + 2.000NO3-
|
|
log_k 15.500 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.55E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mg(NO3)2:6H2O(s)
|
|
Mg(NO3)2:6H2O = 1.000Mg+2 + 2.000NO3- + 6.000H2O
|
|
log_k 2.580 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.58E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mg(SO4)(s)
|
|
Mg(SO4) = 1.000Mg+2 + 1.000SO4-2
|
|
log_k 9.100
|
|
delta_h -114.550 #kJ/mol
|
|
# Enthalpy of formation: -1261.79 #kJ/mol #98CHA
|
|
-analytic -1.09683E+1 0E+0 5.98335E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mg(SO4):H2O(s)
|
|
Mg(SO4):H2O = 1.000Mg+2 + 1.000SO4-2 + 1.000H2O
|
|
log_k -0.120 #84HAR/MOL
|
|
delta_h -51.464 #kJ/mol
|
|
# Enthalpy of formation: -1610.705 #kJ/mol
|
|
-analytic -9.13609E+0 0E+0 2.68815E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mg(SeO3):6H2O(s)
|
|
Mg(SeO3):6H2O = 1.000Mg+2 + 1.000SeO3-2 + 6.000H2O
|
|
log_k -5.820 #05OLI/NOL
|
|
delta_h 18.070 #kJ/mol
|
|
# Enthalpy of formation: -2707.21 #kJ/mol #05OLI/NOL
|
|
-analytic -2.65428E+0 0E+0 -9.4386E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mg(SeO4):6H2O(s)
|
|
Mg(SeO4):6H2O = 1.000Mg+2 + 1.000SeO4-2 + 6.000H2O
|
|
log_k -1.130 #05OLI/NOL
|
|
delta_h -4.080 #kJ/mol
|
|
# Enthalpy of formation: -2781.4 #kJ/mol #05OLI/NOL
|
|
-analytic -1.84478E+0 0E+0 2.13113E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mg(cr)
|
|
Mg = 1.000Mg+2 + 2.000e-
|
|
log_k 79.780
|
|
delta_h -467.000 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
|
|
-analytic -2.03477E+0 0E+0 2.43931E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mg-oxychlorur
|
|
Mg2Cl(OH)3:4H2O = 2.000Mg+2 - 3.000H+ + 1.000Cl- + 7.000H2O
|
|
log_k 26.030 #84HAR/MOL
|
|
delta_h -154.690 #kJ/mol
|
|
# Enthalpy of formation: -2947.2 #kJ/mol #82WAG/EVA
|
|
-analytic -1.07048E+0 0E+0 8.08001E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mg3(PO4)2(cr)
|
|
Mg3(PO4)2 = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)-
|
|
log_k 15.820 #68RAC/SOP
|
|
delta_h -214.093 #kJ/mol
|
|
# Enthalpy of formation: -3792.106 #kJ/mol
|
|
-analytic -2.16874E+1 0E+0 1.11828E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mg3(PO4)2:22H2O(s)
|
|
Mg3(PO4)2:22H2O = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)- + 22.000H2O
|
|
log_k 16.000 #63TAY/FRA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.6E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mg3(PO4)2:8H2O(s)
|
|
Mg3(PO4)2:8H2O = 3.000Mg+2 - 4.000H+ + 2.000H2(PO4)- + 8.000H2O
|
|
log_k 13.900 #63TAY/FRA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.39E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mg5(CO3)4(OH)2:4H2O(s)
|
|
Mg5(CO3)4(OH)2:4H2O = 5.000Mg+2 - 2.000H+ + 4.000CO3-2 + 6.000H2O
|
|
log_k -10.310
|
|
delta_h -234.900 #kJ/mol
|
|
# Enthalpy of formation: -6516 #kJ/mol #73ROB/HEM
|
|
-analytic -5.14627E+1 0E+0 1.22697E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MgBr2(s)
|
|
MgBr2 = 1.000Mg+2 + 2.000Br-
|
|
log_k 27.800 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.78E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MgBr2:6H2O(s)
|
|
MgBr2:6H2O = 1.000Mg+2 + 2.000Br- + 6.000H2O
|
|
log_k 5.220 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.22E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MgCl2(s)
|
|
MgCl2 = 1.000Mg+2 + 2.000Cl-
|
|
log_k 22.030
|
|
delta_h -159.540 #kJ/mol
|
|
# Enthalpy of formation: -641.62 #kJ/mol #98CHA
|
|
-analytic -5.92017E+0 0E+0 8.33334E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MgCl2:2H2O(s)
|
|
MgCl2:2H2O = 1.000Mg+2 + 2.000Cl- + 2.000H2O
|
|
log_k 12.900 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.29E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MgCl2:4H2O(s)
|
|
MgCl2:4H2O = 1.000Mg+2 + 2.000Cl- + 4.000H2O
|
|
log_k 7.440 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7.44E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MgCl2:H2O(s)
|
|
MgCl2:H2O = 1.000Mg+2 + 2.000Cl- + 1.000H2O
|
|
log_k 16.220 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.622E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MgCr2O4(s)
|
|
MgCr2O4 = 1.000Mg+2 - 8.000H+ + 2.000Cr+3 + 4.000H2O
|
|
log_k 22.170
|
|
delta_h -307.720 #kJ/mol
|
|
# Enthalpy of formation: -1783.6 #kJ/mol #95ROB/HEM
|
|
-analytic -3.17402E+1 0E+0 1.60733E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MgF2(cr)
|
|
MgF2 = 1.000Mg+2 + 2.000F-
|
|
log_k -9.220
|
|
delta_h -13.500 #kJ/mol
|
|
# Enthalpy of formation: -1124.2 #kJ/mol #92GRE/FUG
|
|
-analytic -1.15851E+1 0E+0 7.05153E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MgI2(s)
|
|
MgI2 = 1.000Mg+2 + 2.000I-
|
|
log_k 35.000 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.5E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MgMoO4(s)
|
|
MgMoO4 = 1.000Mg+2 + 1.000MoO4-2
|
|
log_k -0.640
|
|
delta_h -62.966 #kJ/mol
|
|
# Enthalpy of formation: -1401.033 #kJ/mol
|
|
-analytic -1.16712E+1 0E+0 3.28894E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Microcline
|
|
KAlSi3O8 = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O
|
|
log_k 0.050
|
|
delta_h -56.462 #kJ/mol
|
|
# Enthalpy of formation: -3974.34 #kJ/mol #99ARN/STE
|
|
-analytic -9.8417E+0 0E+0 2.94921E+3 0E+0 0E+0
|
|
-Vm 108.74
|
|
|
|
Millerite
|
|
NiS = 1.000Ni+2 - 1.000H+ + 1.000HS-
|
|
log_k -10.130
|
|
delta_h 22.688 #kJ/mol
|
|
# Enthalpy of formation: -94 #kJ/mol #05GAM/BUG
|
|
-analytic -6.15524E+0 0E+0 -1.18508E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Minium
|
|
Pb3O4 = 3.000Pb+2 - 8.000H+ - 2.000e- + 4.000H2O
|
|
log_k 73.530
|
|
delta_h -421.874 #kJ/mol
|
|
# Enthalpy of formation: -718.686 #kJ/mol #98CHA
|
|
-analytic -3.79044E-1 0E+0 2.2036E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Minnesotaite
|
|
Fe3Si4O10(OH)2 = 3.000Fe+2 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
|
|
log_k 14.920
|
|
delta_h -148.466 #kJ/mol
|
|
# Enthalpy of formation: -4822.99 #kJ/mol #83MIY/KLE
|
|
-analytic -1.10901E+1 0E+0 7.75491E+3 0E+0 0E+0
|
|
-Vm 148.5
|
|
|
|
Mirabilite
|
|
Na2SO4:10H2O = 2.000Na+ + 1.000SO4-2 + 10.000H2O
|
|
log_k -1.230 #84HAR/MOL
|
|
delta_h 79.471 #kJ/mol
|
|
# Enthalpy of formation: -4327.788 #kJ/mol
|
|
-analytic 1.26927E+1 0E+0 -4.15105E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mn(H2SiO4)(s)
|
|
Mn(H2SiO4) = 1.000Mn+2 - 2.000H+ + 1.000H4(SiO4)
|
|
log_k 12.440 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.244E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mn(HPO4)(s)
|
|
Mn(HPO4) = 1.000Mn+2 - 1.000H+ + 1.000H2(PO4)-
|
|
log_k -5.740 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.74E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mn(SO4)(s)
|
|
Mn(SO4) = 1.000Mn+2 + 1.000SO4-2
|
|
log_k -2.680 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.68E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mn(SeO3):2H2O(cr)
|
|
Mn(SeO3):2H2O = 1.000Mn+2 + 1.000SeO3-2 + 2.000H2O
|
|
log_k -7.600 #05OLI/NOL
|
|
delta_h -18.920 #kJ/mol
|
|
# Enthalpy of formation: -1280.7 #kJ/mol #05OLI/NOL
|
|
-analytic -1.09146E+1 0E+0 9.88259E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mn(cr)
|
|
Mn = 1.000Mn+2 + 2.000e-
|
|
log_k 39.990
|
|
delta_h -220.800 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #82WAG/EVA in 05OLI/NOL
|
|
-analytic 1.30756E+0 0E+0 1.15332E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mn2(Pyrophos)(s)
|
|
Mn2(Pyrophos) = 2.000Mn+2 + 1.000Pyrophos-4
|
|
log_k -19.500 #88CHA/NEW
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.95E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mn3(PO4)2(s)
|
|
Mn3(PO4)2 = 3.000Mn+2 - 4.000H+ + 2.000H2(PO4)-
|
|
log_k 15.320 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.532E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mn3(PO4)2:3H2O(s)
|
|
Mn3(PO4)2:3H2O = 3.000Mn+2 - 4.000H+ + 2.000H2(PO4)- + 3.000H2O
|
|
log_k 2.320 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.32E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MnCl2:2H2O(s)
|
|
MnCl2:2H2O = 1.000Mn+2 + 2.000Cl- + 2.000H2O
|
|
log_k 3.980 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.98E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MnCl2:4H2O(s)
|
|
MnCl2:4H2O = 1.000Mn+2 + 2.000Cl- + 4.000H2O
|
|
log_k 2.710 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.71E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MnCl2:H2O(s)
|
|
MnCl2:H2O = 1.000Mn+2 + 2.000Cl- + 1.000H2O
|
|
log_k 5.530 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.53E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MnO(s)
|
|
MnO = 1.000Mn+2 - 2.000H+ + 1.000H2O
|
|
log_k 17.900 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.79E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MnO2(s)
|
|
MnO2 = 1.000Mn+2 - 4.000H+ - 2.000e- + 2.000H2O
|
|
log_k 42.000 #NAGRA, TR 91-18; F.J. PEARSON, U. BERNER, W. HUMMEL; Nagra thermochemical data base, supplemental data 05/92
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.2E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MnSe(alfa)
|
|
MnSe = 1.000Mn+2 - 1.000H+ + 1.000HSe-
|
|
log_k 0.330
|
|
delta_h -28.579 #kJ/mol
|
|
# Enthalpy of formation: -177.921 #kJ/mol
|
|
-analytic -4.67682E+0 0E+0 1.49278E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MnSe2(cr)
|
|
MnSe2 = 1.000Mn+2 - 2.000H+ - 2.000e- + 2.000HSe-
|
|
log_k -8.120
|
|
delta_h -11.700 #kJ/mol
|
|
# Enthalpy of formation: -180.5 #kJ/mol #05OLI/NOL
|
|
-analytic -1.01697E+1 0E+0 6.11133E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mo(cr)
|
|
Mo = 8.000H+ + 6.000e- + 1.000MoO4-2 - 4.000H2O
|
|
log_k -19.580
|
|
delta_h 146.320 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #82WAG/EVA
|
|
-analytic 6.05413E+0 0E+0 -7.64281E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Mo3O8(s)
|
|
Mo3O8 = 8.000H+ + 2.000e- + 3.000MoO4-2 - 4.000H2O
|
|
log_k -63.560
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.356E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MoO2(s)
|
|
MoO2 = 4.000H+ + 2.000e- + 1.000MoO4-2 - 2.000H2O
|
|
log_k -29.880
|
|
delta_h 162.510 #kJ/mol
|
|
# Enthalpy of formation: -587.851 #kJ/mol
|
|
-analytic -1.40951E+0 0E+0 -8.48848E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MoO3(s)
|
|
MoO3 = 2.000H+ + 1.000MoO4-2 - 1.000H2O
|
|
log_k -11.980
|
|
delta_h 34.001 #kJ/mol
|
|
# Enthalpy of formation: -745.171 #kJ/mol
|
|
-analytic -6.02329E+0 0E+0 -1.77599E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MoS2(s)
|
|
MoS2 = 6.000H+ + 2.000e- + 2.000HS- + 1.000MoO4-2 - 4.000H2O
|
|
log_k -69.910
|
|
delta_h 385.522 #kJ/mol
|
|
# Enthalpy of formation: -271.804 #kJ/mol
|
|
-analytic -2.36954E+0 0E+0 -2.01372E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
MoS3(s)
|
|
MoS3 = 5.000H+ + 3.000HS- + 1.000MoO4-2 - 4.000H2O
|
|
log_k -68.070
|
|
delta_h 354.847 #kJ/mol
|
|
# Enthalpy of formation: -257.429 #kJ/mol
|
|
-analytic -5.90357E+0 0E+0 -1.85349E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Monocarboaluminate
|
|
(CaO)3Al2O3:CaCO3:10.68H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000CO3-2 + 16.680H2O
|
|
log_k 70.300 #95DAM/GLA
|
|
delta_h -515.924 #kJ/mol
|
|
# Enthalpy of formation: -8175.75 #kJ/mol #10BLA/BOU2
|
|
-analytic -2.00859E+1 0E+0 2.69485E+4 0E+0 0E+0
|
|
-Vm 261.96
|
|
|
|
Monosulfate-Fe
|
|
Ca4Fe2(SO4)(OH)12:6H2O = 4.000Ca+2 + 2.000Fe+3 - 12.000H+ + 1.000SO4-2 + 18.000H2O
|
|
log_k 66.050 #10BLA/BOU2
|
|
delta_h -477.605 #kJ/mol
|
|
# Enthalpy of formation: -7846.668 #kJ/mol
|
|
-analytic -1.76227E+1 0E+0 2.4947E+4 0E+0 0E+0
|
|
-Vm 316.06
|
|
|
|
Monosulfoaluminate
|
|
Ca4Al2(SO4)(OH)12:6H2O = 4.000Ca+2 + 2.000Al+3 - 12.000H+ + 1.000SO4-2 + 18.000H2O
|
|
log_k 73.070 #10BLA/BOU2
|
|
delta_h -539.400 #kJ/mol
|
|
# Enthalpy of formation: -8763.68 #kJ/mol #10BLA/BOU2
|
|
-analytic -2.14287E+1 0E+0 2.81748E+4 0E+0 0E+0
|
|
-Vm 311.26
|
|
|
|
Montmorillonite-BCCa
|
|
Ca0.17Mg0.34Al1.66Si4O10(OH)2 = 0.170Ca+2 + 0.340Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
|
|
log_k 4.200
|
|
delta_h -156.000 #kJ/mol
|
|
# Enthalpy of formation: -5690.29 #kJ/mol #15BLA/VIE
|
|
-analytic -2.313E+1 0E+0 8.14844E+3 0E+0 0E+0
|
|
-Vm 135.58
|
|
|
|
Montmorillonite-BCK
|
|
K0.34Mg0.34Al1.66Si4O10(OH)2 = 0.340Mg+2 + 0.340K+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
|
|
log_k 2.810
|
|
delta_h -136.198 #kJ/mol
|
|
# Enthalpy of formation: -5703.51 #kJ/mol #15BLA/VIE
|
|
-analytic -2.10508E+1 0E+0 7.11411E+3 0E+0 0E+0
|
|
-Vm 134.69
|
|
|
|
Montmorillonite-BCMg
|
|
Mg0.17Mg0.34Al1.66Si4O10(OH)2 = 0.510Mg+2 + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
|
|
log_k 3.690
|
|
delta_h -157.360 #kJ/mol
|
|
# Enthalpy of formation: -5676.01 #kJ/mol #15BLA/VIE
|
|
-analytic -2.38782E+1 0E+0 8.21947E+3 0E+0 0E+0
|
|
-Vm 131.58
|
|
|
|
Montmorillonite-BCNa
|
|
Na0.34Mg0.34Al1.66Si4O10(OH)2 = 0.340Mg+2 + 0.340Na+ + 1.660Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
|
|
log_k 3.390
|
|
delta_h -145.286 #kJ/mol
|
|
# Enthalpy of formation: -5690.41 #kJ/mol #15BLA/VIE
|
|
-analytic -2.2063E+1 0E+0 7.58881E+3 0E+0 0E+0
|
|
-Vm 133.96
|
|
|
|
Montmorillonite-HCCa
|
|
Ca0.3Mg0.6Al1.4Si4O10(OH)2 = 0.300Ca+2 + 0.600Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
|
|
log_k 6.890
|
|
delta_h -163.896 #kJ/mol
|
|
# Enthalpy of formation: -5734.42 #kJ/mol #15BLA/VIE
|
|
-analytic -2.18233E+1 0E+0 8.56087E+3 0E+0 0E+0
|
|
-Vm 140.32
|
|
|
|
Montmorillonite-HCK
|
|
K0.6Mg0.6Al1.4Si4O10(OH)2 = 0.600Mg+2 + 0.600K+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
|
|
log_k 4.430
|
|
delta_h -128.960 #kJ/mol
|
|
# Enthalpy of formation: -5757.74 #kJ/mol #15BLA/VIE
|
|
-analytic -1.81628E+1 0E+0 6.73604E+3 0E+0 0E+0
|
|
-Vm 138.75
|
|
|
|
Montmorillonite-HCMg
|
|
Mg0.3Mg0.6Al1.4Si4O10(OH)2 = 0.900Mg+2 + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
|
|
log_k 5.980
|
|
delta_h -166.296 #kJ/mol
|
|
# Enthalpy of formation: -5709.22 #kJ/mol #15BLA/VIE
|
|
-analytic -2.31538E+1 0E+0 8.68623E+3 0E+0 0E+0
|
|
-Vm 133.27
|
|
|
|
Montmorillonite-HCNa
|
|
Na0.6Mg0.6Al1.4Si4O10(OH)2 = 0.600Mg+2 + 0.600Na+ + 1.400Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
|
|
log_k 5.450
|
|
delta_h -144.990 #kJ/mol
|
|
# Enthalpy of formation: -5734.63 #kJ/mol #15BLA/VIE
|
|
-analytic -1.99511E+1 0E+0 7.57334E+3 0E+0 0E+0
|
|
-Vm 137.47
|
|
|
|
Mordenite_Ca
|
|
Ca0.515Al1.03Si4.97O12:3.1H2O = 0.515Ca+2 + 1.030Al+3 - 4.120H+ + 4.970H4(SiO4) - 4.780H2O
|
|
log_k -2.920 #09BLA
|
|
delta_h -74.732 #kJ/mol
|
|
# Enthalpy of formation: -6655.334 #kJ/mol
|
|
-analytic -1.60125E+1 0E+0 3.90352E+3 0E+0 0E+0
|
|
-Vm 209.8
|
|
|
|
Mordenite_Oregon
|
|
Ca0.289Na0.362Al0.94Si5.06O12:3.468H2O = 0.289Ca+2 + 0.362Na+ + 0.940Al+3 - 3.760H+ + 5.060H4(SiO4) - 4.772H2O
|
|
log_k -4.180
|
|
delta_h -41.247 #kJ/mol
|
|
# Enthalpy of formation: -6738.44 #kJ/mol #92JOH/TAS
|
|
-analytic -1.14062E+1 0E+0 2.15448E+3 0E+0 0E+0
|
|
-Vm 212.4
|
|
|
|
Muscovite
|
|
KAl3Si3O10(OH)2 = 1.000K+ + 3.000Al+3 - 10.000H+ + 3.000H4(SiO4)
|
|
log_k 13.020
|
|
delta_h -276.122 #kJ/mol
|
|
# Enthalpy of formation: -5974.8 #kJ/mol #95HAS/CYG
|
|
-analytic -3.53544E+1 0E+0 1.44228E+4 0E+0 0E+0
|
|
-Vm 140.81
|
|
|
|
Na(NO3)(s)
|
|
Na(NO3) = 1.000Na+ + 1.000NO3-
|
|
log_k 1.090 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.09E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Na(TcO4):4H2O(s)
|
|
Na(TcO4):4H2O = 1.000Na+ + 1.000TcO4- + 4.000H2O
|
|
log_k 0.790 #99RAR/RAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 7.9E-1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Na(cr)
|
|
Na = 1.000Na+ + 1.000e-
|
|
log_k 45.890
|
|
delta_h -240.340 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #92GRE/FUG (89COX/WAG)
|
|
-analytic 3.7843E+0 0E+0 1.25538E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Na2(CO3)(cr)
|
|
Na2(CO3) = 2.000Na+ + 1.000CO3-2
|
|
log_k 1.120
|
|
delta_h -26.710 #kJ/mol
|
|
# Enthalpy of formation: -1129.2 #kJ/mol #95ROB/HEM
|
|
-analytic -3.55938E+0 0E+0 1.39516E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Na2B4O7(cr)
|
|
Na2B4O7 = 2.000Na+ + 2.000H+ + 4.000B(OH)4- - 9.000H2O
|
|
log_k -16.060
|
|
delta_h 2.520 #kJ/mol
|
|
# Enthalpy of formation: -3291.196 #kJ/mol
|
|
-analytic -1.56185E+1 0E+0 -1.31629E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Na2B4O7:10H2O(s)
|
|
Na2B4O7:10H2O = 2.000Na+ + 2.000H+ + 4.000B(OH)4- + 1.000H2O
|
|
log_k -24.580
|
|
delta_h 141.471 #kJ/mol
|
|
# Enthalpy of formation: -6288.445 #kJ/mol
|
|
-analytic 2.04619E-1 0E+0 -7.38953E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Na2CO3:7H2O(s)
|
|
Na2CO3:7H2O = 2.000Na+ + 1.000CO3-2 + 7.000H2O
|
|
log_k -0.460 #84HAR/MOL
|
|
delta_h 42.682 #kJ/mol
|
|
# Enthalpy of formation: -3199.4 #kJ/mol
|
|
-analytic 7.01755E+0 0E+0 -2.22943E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Na2HPO4(cr)
|
|
Na2HPO4 = 2.000Na+ - 1.000H+ + 1.000H2(PO4)-
|
|
log_k 9.240
|
|
delta_h -35.180 #kJ/mol
|
|
# Enthalpy of formation: -1748.1 #kJ/mol #82WAG/EVA
|
|
-analytic 3.07674E+0 0E+0 1.83758E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Na2O(cr)
|
|
Na2O = 2.000Na+ - 2.000H+ + 1.000H2O
|
|
log_k 67.460
|
|
delta_h -351.710 #kJ/mol
|
|
# Enthalpy of formation: -414.8 #kJ/mol #95ROB/HEM
|
|
-analytic 5.84314E+0 0E+0 1.83711E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Na2ZrSi2O7(cr)
|
|
Na2ZrSi2O7 = 2.000Na+ - 6.000H+ + 2.000H4(SiO4) + 1.000Zr+4 - 1.000H2O
|
|
log_k 3.740
|
|
delta_h -119.738 #kJ/mol
|
|
# Enthalpy of formation: -3606 #kJ/mol #05BRO/CUR
|
|
-analytic -1.72372E+1 0E+0 6.25434E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Na2ZrSi3O9:2H2O(cr)
|
|
Na2ZrSi3O9:2H2O = 2.000Na+ - 6.000H+ + 3.000H4(SiO4) + 1.000Zr+4 - 1.000H2O
|
|
log_k 15.580
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.558E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Na2ZrSi4O11(cr)
|
|
Na2ZrSi4O11 = 2.000Na+ - 6.000H+ + 4.000H4(SiO4) + 1.000Zr+4 - 5.000H2O
|
|
log_k -13.560
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.356E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Na2ZrSi6O15:3H2O(cr)
|
|
Na2ZrSi6O15:3H2O = 2.000Na+ - 6.000H+ + 6.000H4(SiO4) + 1.000Zr+4 - 6.000H2O
|
|
log_k 16.460
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.646E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Na2ZrSiO5(cr)
|
|
Na2ZrSiO5 = 2.000Na+ - 6.000H+ + 1.000H4(SiO4) + 1.000Zr+4 + 1.000H2O
|
|
log_k 13.190
|
|
delta_h -166.204 #kJ/mol
|
|
# Enthalpy of formation: -2670 #kJ/mol #05BRO/CUR
|
|
-analytic -1.59276E+1 0E+0 8.68143E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Na3PO4(cr)
|
|
Na3PO4 = 3.000Na+ - 2.000H+ + 1.000H2(PO4)-
|
|
log_k 23.520
|
|
delta_h -106.218 #kJ/mol
|
|
# Enthalpy of formation: -1917.402 #kJ/mol #74NAU/RYZ
|
|
-analytic 4.91143E+0 0E+0 5.54814E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Na4Zr2Si3O12(cr)
|
|
Na4Zr2Si3O12 = 4.000Na+ - 12.000H+ + 3.000H4(SiO4) + 2.000Zr+4
|
|
log_k 15.500
|
|
delta_h -276.942 #kJ/mol
|
|
# Enthalpy of formation: -6285 #kJ/mol #05BRO/CUR
|
|
-analytic -3.30181E+1 0E+0 1.44657E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Na6Th(CO3)5:12H2O(cr)
|
|
Na6Th(CO3)5:12H2O = 6.000Na+ + 1.000Th+4 + 5.000CO3-2 + 12.000H2O
|
|
log_k -42.200 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.22E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NaAmO2CO3(s)
|
|
NaAmO2CO3 = 1.000Na+ + 1.000AmO2+ + 1.000CO3-2
|
|
log_k -10.900 #94GIF, 94RUN/KIM, 96RUN/NEU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.09E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NaBO2(s)
|
|
NaBO2 = 1.000Na+ + 1.000B(OH)4- - 2.000H2O
|
|
log_k 3.620
|
|
delta_h -36.793 #kJ/mol
|
|
# Enthalpy of formation: -977.003 #kJ/mol
|
|
-analytic -2.82585E+0 0E+0 1.92183E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NaCm(CO3)2:5H2O(s)
|
|
NaCm(CO3)2:5H2O = 1.000Na+ + 2.000CO3-2 + 1.000Cm+3 + 5.000H2O
|
|
log_k -21.000 #estimated by correlation with Ln(III) and An(III)
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.1E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NaEu(CO3)2:5H2O(s)
|
|
NaEu(CO3)2:5H2O = 1.000Na+ + 1.000Eu+3 + 2.000CO3-2 + 5.000H2O
|
|
log_k -20.900 #05VER/VIT2
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.09E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NaF(s)
|
|
NaF = 1.000Na+ + 1.000F-
|
|
log_k -0.480 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.8E-1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NaH2PO4(cr)
|
|
NaH2PO4 = 1.000Na+ + 1.000H2(PO4)-
|
|
log_k 2.300
|
|
delta_h -6.140 #kJ/mol
|
|
# Enthalpy of formation: -1536.8 #kJ/mol #82WAG/EVA
|
|
-analytic 1.22432E+0 0E+0 3.20714E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NaHo(CO3)2:5H2O(s)
|
|
NaHo(CO3)2:5H2O = 1.000Na+ + 1.000Ho+3 + 2.000CO3-2 + 5.000H2O
|
|
log_k -20.500 #Estimated by ionic radii correlation
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.05E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NaNbO3(s)
|
|
NaNbO3 = 1.000Na+ + 1.000Nb(OH)6- - 3.000H2O
|
|
log_k -3.660
|
|
delta_h 7.497 #kJ/mol
|
|
# Enthalpy of formation: -1316.013 #kJ/mol
|
|
-analytic -2.34658E+0 0E+0 -3.91595E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NaSm(CO3)2:5H2O(s)
|
|
NaSm(CO3)2:5H2O = 1.000Na+ + 1.000Sm+3 + 2.000CO3-2 + 5.000H2O
|
|
log_k -20.990 #Estimated by ionic radii
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.099E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Nahcolite
|
|
Na(HCO3) = 1.000Na+ + 1.000H+ + 1.000CO3-2
|
|
log_k -10.740 #84HAR/MOL
|
|
delta_h 33.430 #kJ/mol
|
|
# Enthalpy of formation: -949 #kJ/mol #82VAN
|
|
-analytic -4.88332E+0 0E+0 -1.74617E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Natrolite
|
|
Na2(Al2Si3)O10:2H2O = 2.000Na+ + 2.000Al+3 - 8.000H+ + 3.000H4(SiO4)
|
|
log_k 19.310
|
|
delta_h -222.462 #kJ/mol
|
|
# Enthalpy of formation: -5718.6 #kJ/mol #83JOH/FLO
|
|
-analytic -1.96636E+1 0E+0 1.162E+4 0E+0 0E+0
|
|
-Vm 169.2
|
|
|
|
Natron
|
|
Na2(CO3):10H2O = 2.000Na+ + 1.000CO3-2 + 10.000H2O
|
|
log_k -0.830 #84HAR/MOL
|
|
delta_h 64.870 #kJ/mol
|
|
# Enthalpy of formation: -4079.078 #kJ/mol
|
|
-analytic 1.05347E+1 0E+0 -3.38839E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Nb(cr)
|
|
Nb = 6.000H+ + 1.000Nb(OH)6- + 5.000e- - 6.000H2O
|
|
log_k 41.820
|
|
delta_h -210.685 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #82WAG/EVA
|
|
-analytic 4.90963E+0 0E+0 1.10048E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Nb2O5(s)
|
|
Nb2O5 = 2.000H+ + 2.000Nb(OH)6- - 7.000H2O
|
|
log_k -28.380 #97PEI/NGU
|
|
delta_h 52.400 #kJ/mol #97PEI/NGU
|
|
# Enthalpy of formation: -1902.92 #kJ/mol
|
|
-analytic -1.91999E+1 0E+0 -2.73704E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Nesquehonite
|
|
Mg(CO3):3H2O = 1.000Mg+2 + 1.000CO3-2 + 3.000H2O
|
|
log_k -5.100
|
|
delta_h -22.420 #kJ/mol
|
|
# Enthalpy of formation: -1977.3 #kJ/mol #73ROB/HEM
|
|
-analytic -9.02781E+0 0E+0 1.17108E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni(BO2)2(s)
|
|
Ni(BO2)2 = 1.000Ni+2 + 2.000B(OH)4- - 4.000H2O
|
|
log_k -8.700 #92PEA/BER
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -8.7E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni(CO3)(cr)
|
|
Ni(CO3) = 1.000Ni+2 + 1.000CO3-2
|
|
log_k -10.990
|
|
delta_h -16.922 #kJ/mol
|
|
# Enthalpy of formation: -713.32 #kJ/mol
|
|
-analytic -1.39546E+1 0E+0 8.83896E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni(CO3):5.5H2O(cr)
|
|
Ni(CO3):5.5H2O = 1.000Ni+2 + 1.000CO3-2 + 5.500H2O
|
|
log_k -7.520
|
|
delta_h 10.687 #kJ/mol
|
|
# Enthalpy of formation: -2312.992 #kJ/mol
|
|
-analytic -5.64772E+0 0E+0 -5.5822E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni(IO3)2(beta)
|
|
Ni(IO3)2 = 1.000Ni+2 + 2.000IO3-
|
|
log_k -4.430
|
|
delta_h -7.300 #kJ/mol #05GAM/BUG
|
|
# Enthalpy of formation: -487.112 #kJ/mol
|
|
-analytic -5.7089E+0 0E+0 3.81305E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni(IO3)2:2H2O(cr)
|
|
Ni(IO3)2:2H2O = 1.000Ni+2 + 2.000IO3- + 2.000H2O
|
|
log_k -5.140
|
|
delta_h 21.600 #kJ/mol #05GAM/BUG
|
|
# Enthalpy of formation: -1087.672 #kJ/mol
|
|
-analytic -1.35585E+0 0E+0 -1.12824E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni(OH)2(s)
|
|
Ni(OH)2 = 1.000Ni+2 - 2.000H+ + 2.000H2O
|
|
log_k 11.030
|
|
delta_h -84.389 #kJ/mol
|
|
# Enthalpy of formation: -542.282 #kJ/mol
|
|
-analytic -3.7543E+0 0E+0 4.40794E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni(SO4)(cr)
|
|
Ni(SO4) = 1.000Ni+2 + 1.000SO4-2
|
|
log_k 4.750
|
|
delta_h -91.072 #kJ/mol
|
|
# Enthalpy of formation: -873.28 #kJ/mol #05GAM/BUG
|
|
-analytic -1.12051E+1 0E+0 4.75701E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni(SO4):6H2O(s)
|
|
Ni(SO4):6H2O = 1.000Ni+2 + 1.000SO4-2 + 6.000H2O
|
|
log_k -2.250
|
|
delta_h 4.485 #kJ/mol
|
|
# Enthalpy of formation: -2683.817 #kJ/mol #05GAM/BUG
|
|
-analytic -1.46426E+0 0E+0 -2.34268E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni(SO4):7H2O(s)
|
|
Ni(SO4):7H2O = 1.000Ni+2 + 1.000SO4-2 + 7.000H2O
|
|
log_k -2.270
|
|
delta_h 12.167 #kJ/mol #05GAM/BUG
|
|
# Enthalpy of formation: -2977.329 #kJ/mol
|
|
-analytic -1.38436E-1 0E+0 -6.35526E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni(SeO3):2H2O(cr)
|
|
Ni(SeO3):2H2O = 1.000Ni+2 + 1.000SeO3-2 + 2.000H2O
|
|
log_k -5.800 #05OLI/NOL
|
|
delta_h -24.502 #kJ/mol
|
|
# Enthalpy of formation: -1109.33 #kJ/mol #05OLI/NOL
|
|
-analytic -1.00926E+1 0E+0 1.27983E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni(SeO4):6H2O(s)
|
|
Ni(SeO4):6H2O = 1.000Ni+2 + 1.000SeO4-2 + 6.000H2O
|
|
log_k -1.380 #05OLI/NOL
|
|
delta_h -3.791 #kJ/mol
|
|
# Enthalpy of formation: -2369.699 #kJ/mol
|
|
-analytic -2.04415E+0 0E+0 1.98017E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni(SiO3)(s)
|
|
Ni(SiO3) = 1.000Ni+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O
|
|
log_k -1.780
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.78E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni(cr)
|
|
Ni = 1.000Ni+2 + 2.000e-
|
|
log_k 8.020
|
|
delta_h -55.012 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #05GAM/BUG
|
|
-analytic -1.61767E+0 0E+0 2.87347E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni0.88Se(cr)
|
|
Ni0.88Se = 0.880Ni+2 - 1.000H+ - 0.240e- + 1.000HSe-
|
|
log_k -12.760
|
|
delta_h 35.689 #kJ/mol
|
|
# Enthalpy of formation: -69.8 #kJ/mol #05OLI/NOL
|
|
-analytic -6.50756E+0 0E+0 -1.86416E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni11As8(cr)
|
|
Ni11As8 = 11.000Ni+2 + 64.000H+ + 62.000e- + 8.000AsO4-3 - 32.000H2O
|
|
log_k -457.930
|
|
delta_h 2179.308 #kJ/mol
|
|
# Enthalpy of formation: -743 #kJ/mol #05GAM/BUG
|
|
-analytic -7.61322E+1 0E+0 -1.13833E+5 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni2(Pyrophos)(cr)
|
|
Ni2(Pyrophos) = 2.000Ni+2 + 1.000Pyrophos-4
|
|
log_k -9.820
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -9.82E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni3(AsO3)2(s)
|
|
Ni3(AsO3)2 = 3.000Ni+2 + 4.000H+ + 4.000e- + 2.000AsO4-3 - 2.000H2O
|
|
log_k -51.480
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.148E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni3(AsO4)2:8H2O(s)
|
|
Ni3(AsO4)2:8H2O = 3.000Ni+2 + 2.000AsO4-3 + 8.000H2O
|
|
log_k -28.100 #05GAM/BUG
|
|
delta_h -48.956 #kJ/mol
|
|
# Enthalpy of formation: -4179 #kJ/mol #05GAM/BUG
|
|
-analytic -3.66767E+1 0E+0 2.55715E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni3(PO4)2(cr)
|
|
Ni3(PO4)2 = 3.000Ni+2 - 4.000H+ + 2.000H2(PO4)-
|
|
log_k 10.250
|
|
delta_h -188.236 #kJ/mol
|
|
# Enthalpy of formation: -2582 #kJ/mol #89BAE/McK
|
|
-analytic -2.27275E+1 0E+0 9.83224E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni3O4(s)
|
|
Ni3O4 = 3.000Ni+2 - 8.000H+ - 2.000e- + 4.000H2O
|
|
log_k 65.500
|
|
delta_h -489.045 #kJ/mol
|
|
# Enthalpy of formation: -819.308 #kJ/mol
|
|
-analytic -2.01769E+1 0E+0 2.55446E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ni5As2(cr)
|
|
Ni5As2 = 5.000Ni+2 + 16.000H+ + 20.000e- + 2.000AsO4-3 - 8.000H2O
|
|
log_k -106.730
|
|
delta_h 479.960 #kJ/mol
|
|
# Enthalpy of formation: -244.66 #kJ/mol #05GAM/BUG
|
|
-analytic -2.26447E+1 0E+0 -2.507E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NiAs(cr)
|
|
NiAs = 1.000Ni+2 + 8.000H+ + 7.000e- + 1.000AsO4-3 - 4.000H2O
|
|
log_k -56.240
|
|
delta_h 270.988 #kJ/mol
|
|
# Enthalpy of formation: -70.82 #kJ/mol #05GAM/BUG
|
|
-analytic -8.76501E+0 0E+0 -1.41547E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NiBr2(s)
|
|
NiBr2 = 1.000Ni+2 + 2.000Br-
|
|
log_k 10.170
|
|
delta_h -84.332 #kJ/mol
|
|
# Enthalpy of formation: -213.5 #kJ/mol #05GAM/BUG
|
|
-analytic -4.60431E+0 0E+0 4.40496E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NiCl2(s)
|
|
NiCl2 = 1.000Ni+2 + 2.000Cl-
|
|
log_k 8.670
|
|
delta_h -84.272 #kJ/mol
|
|
# Enthalpy of formation: -304.9 #kJ/mol #05GAM/BUG
|
|
-analytic -6.0938E+0 0E+0 4.40183E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NiCl2:2H2O(s)
|
|
NiCl2:2H2O = 1.000Ni+2 + 2.000Cl- + 2.000H2O
|
|
log_k 4.920
|
|
delta_h -47.458 #kJ/mol
|
|
# Enthalpy of formation: -913.372 #kJ/mol
|
|
-analytic -3.39427E+0 0E+0 2.4789E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NiCl2:4H2O(s)
|
|
NiCl2:4H2O = 1.000Ni+2 + 2.000Cl- + 4.000H2O
|
|
log_k 3.820
|
|
delta_h -18.444 #kJ/mol #05GAM/BUG
|
|
# Enthalpy of formation: -1514.048 #kJ/mol
|
|
-analytic 5.88755E-1 0E+0 9.63396E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NiCl2:6H2O(s)
|
|
NiCl2:6H2O = 1.000Ni+2 + 2.000Cl- + 6.000H2O
|
|
log_k 3.040
|
|
delta_h 0.548 #kJ/mol
|
|
# Enthalpy of formation: -2104.7 #kJ/mol #05GAM/BUG
|
|
-analytic 3.13601E+0 0E+0 -2.8624E+1 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NiF2(s)
|
|
NiF2 = 1.000Ni+2 + 2.000F-
|
|
log_k -0.180
|
|
delta_h -68.412 #kJ/mol
|
|
# Enthalpy of formation: -657.3 #kJ/mol #05GAM/BUG
|
|
-analytic -1.21653E+1 0E+0 3.5734E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NiI2(s)
|
|
NiI2 = 1.000Ni+2 + 2.000I-
|
|
log_k 9.610
|
|
delta_h -72.152 #kJ/mol
|
|
# Enthalpy of formation: -96.42 #kJ/mol #05GAM/BUG
|
|
-analytic -3.03047E+0 0E+0 3.76876E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NiSe2(cr)
|
|
NiSe2 = 1.000Ni+2 - 2.000H+ - 2.000e- + 2.000HSe-
|
|
log_k -26.900
|
|
delta_h 89.088 #kJ/mol
|
|
# Enthalpy of formation: -115.5 #kJ/mol #05OLI/NOL
|
|
-analytic -1.12925E+1 0E+0 -4.65338E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Nontronite-Ca
|
|
Ca0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.170Ca+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
|
|
log_k -2.820
|
|
delta_h -145.927 #kJ/mol
|
|
# Enthalpy of formation: -4982.32 #kJ/mol #15BLA/VIE
|
|
-analytic -2.83853E+1 0E+0 7.62229E+3 0E+0 0E+0
|
|
-Vm 133.74
|
|
|
|
Nontronite-K
|
|
K0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.340K+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
|
|
log_k -3.990
|
|
delta_h -127.394 #kJ/mol
|
|
# Enthalpy of formation: -4994.27 #kJ/mol #15BLA/VIE
|
|
-analytic -2.63084E+1 0E+0 6.65424E+3 0E+0 0E+0
|
|
-Vm 132.85
|
|
|
|
Nontronite-Mg
|
|
Mg0.17Fe1.67Al0.67Si3.66O10(OH)2 = 0.170Mg+2 + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
|
|
log_k -3.370
|
|
delta_h -147.107 #kJ/mol
|
|
# Enthalpy of formation: -4968.22 #kJ/mol #15BLA/VIE
|
|
-analytic -2.9142E+1 0E+0 7.68392E+3 0E+0 0E+0
|
|
-Vm 129.74
|
|
|
|
Nontronite-Na
|
|
Na0.34Fe1.67Al0.67Si3.66O10(OH)2 = 0.340Na+ + 1.670Fe+3 + 0.670Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
|
|
log_k -3.500
|
|
delta_h -136.012 #kJ/mol
|
|
# Enthalpy of formation: -4981.64 #kJ/mol #15BLA/VIE
|
|
-analytic -2.73282E+1 0E+0 7.10439E+3 0E+0 0E+0
|
|
-Vm 132.12
|
|
|
|
Nontronite_Nau-2
|
|
Ca0.247K0.02(Si3.458Al0.542)(Fe1.688Al0.276Mg0.068)O10(OH)2 = 0.247Ca+2 + 0.068Mg+2 + 0.020K+ + 1.688Fe+3 + 0.818Al+3 - 8.168H+ + 3.458H4(SiO4) - 1.832H2O
|
|
log_k 1.330
|
|
delta_h -187.521 #kJ/mol
|
|
# Enthalpy of formation: -5035.69 #kJ/mol #13GAI/BLA
|
|
-analytic -3.15222E+1 0E+0 9.79489E+3 0E+0 0E+0
|
|
-Vm 136.38
|
|
|
|
Np(CO3)(OH)(s)
|
|
Np(CO3)(OH) = 1.000Np+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O
|
|
log_k -6.060 #Estimated by correlation with An(III) in function of ionic radii
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.06E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Np(HPO4)2(s)
|
|
Np(HPO4)2 = 1.000Np+4 - 2.000H+ + 2.000H2(PO4)-
|
|
log_k -16.060 #Estimated by correlation with An(III) in function of ionic radii
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.606E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Np(OH)3(s)
|
|
Np(OH)3 = 1.000Np+3 - 3.000H+ + 3.000H2O
|
|
log_k 18.000 #80ALL/KIP
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.8E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Np(cr)
|
|
Np = 1.000Np+3 + 3.000e-
|
|
log_k 89.850
|
|
delta_h -527.184 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #01LEM/FUG
|
|
-analytic -2.50854E+0 0E+0 2.75367E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Np2O5(cr)
|
|
Np2O5 = 2.000NpO2+ - 2.000H+ + 1.000H2O
|
|
log_k 3.700
|
|
delta_h -79.492 #kJ/mol
|
|
# Enthalpy of formation: -2162.7 #kJ/mol #01LEM/FUG
|
|
-analytic -1.02264E+1 0E+0 4.15215E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NpO2(CO3)(s)
|
|
NpO2(CO3) = 1.000NpO2+2 + 1.000CO3-2
|
|
log_k -14.600 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.46E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NpO2(CO3)2Na3(s)
|
|
NpO2(CO3)2Na3 = 3.000Na+ + 1.000NpO2+ + 2.000CO3-2
|
|
log_k -14.220 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.422E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NpO2(CO3)Na:3.5H2O(s)
|
|
NpO2(CO3)Na:3.5H2O = 1.000Na+ + 1.000NpO2+ + 1.000CO3-2 + 3.500H2O
|
|
log_k -11.000 #03GUI/FAN
|
|
delta_h 30.997 #kJ/mol
|
|
# Enthalpy of formation: -2925.152 #kJ/mol
|
|
-analytic -5.56957E+0 0E+0 -1.61908E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NpO2(NH4)4(CO3)3(s)
|
|
NpO2(NH4)4(CO3)3 = 1.000NpO2+2 + 4.000H+ + 3.000CO3-2 + 4.000NH3
|
|
log_k -26.810 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.681E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NpO2(s)
|
|
NpO2 = 1.000Np+4 - 4.000H+ + 2.000H2O
|
|
log_k -9.650
|
|
delta_h -53.682 #kJ/mol
|
|
# Enthalpy of formation: -1074 #kJ/mol #01LEM/FUG
|
|
-analytic -1.90547E+1 0E+0 2.804E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NpO2:2H2O(am)
|
|
NpO2:2H2O = 1.000Np+4 - 4.000H+ + 4.000H2O
|
|
log_k -0.700 #03GUI/FAN
|
|
delta_h -80.557 #kJ/mol
|
|
# Enthalpy of formation: -1618.784 #kJ/mol
|
|
-analytic -1.4813E+1 0E+0 4.20778E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NpO2OH(am,aged)
|
|
NpO2OH = 1.000NpO2+ - 1.000H+ + 1.000H2O
|
|
log_k 4.700 #01LEM/FUG
|
|
delta_h -41.111 #kJ/mol
|
|
# Enthalpy of formation: -1222.9 #kJ/mol #01LEM/FUG
|
|
-analytic -2.50233E+0 0E+0 2.14737E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NpO2OH(am,fresh)
|
|
NpO2OH = 1.000NpO2+ - 1.000H+ + 1.000H2O
|
|
log_k 5.300 #01LEM/FUG
|
|
delta_h -41.111 #kJ/mol
|
|
# Enthalpy of formation: -1222.9 #kJ/mol #01LEM/FUG
|
|
-analytic -1.90233E+0 0E+0 2.14737E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
NpO3:H2O(cr)
|
|
NpO3:H2O = 1.000NpO2+2 - 2.000H+ + 2.000H2O
|
|
log_k 5.470 #01LEM/FUG
|
|
delta_h -52.239 #kJ/mol
|
|
# Enthalpy of formation: -1380.154 #kJ/mol
|
|
-analytic -3.68187E+0 0E+0 2.72863E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Okenite
|
|
CaSi2O5:2H2O = 1.000Ca+2 - 2.000H+ + 2.000H4(SiO4) - 1.000H2O
|
|
log_k 9.180
|
|
delta_h -44.388 #kJ/mol
|
|
# Enthalpy of formation: -3135.17 #kJ/mol #10BLA/BOU1
|
|
-analytic 1.40357E+0 0E+0 2.31854E+3 0E+0 0E+0
|
|
-Vm 94.77
|
|
|
|
Olivine
|
|
Ni2(SiO4) = 2.000Ni+2 - 4.000H+ + 1.000H4(SiO4)
|
|
log_k 19.680
|
|
delta_h -175.218 #kJ/mol
|
|
# Enthalpy of formation: -1396 #kJ/mol #05GAM/BUG
|
|
-analytic -1.10168E+1 0E+0 9.15226E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Orpiment
|
|
As2S3 = 13.000H+ + 4.000e- + 3.000HS- + 2.000AsO4-3 - 8.000H2O
|
|
log_k -127.460
|
|
delta_h 552.680 #kJ/mol
|
|
# Enthalpy of formation: -91.223 #kJ/mol
|
|
-analytic -3.06348E+1 0E+0 -2.88684E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
P(cr)
|
|
P = 6.000H+ + 5.000e- + 1.000H2(PO4)- - 4.000H2O
|
|
log_k 33.040
|
|
delta_h -159.280 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
|
|
-analytic 5.13538E+0 0E+0 8.31976E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pa(cr)
|
|
Pa = 4.000e- + 1.000Pa+4
|
|
log_k 98.750
|
|
delta_h -620.000 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #85BAR/PAR
|
|
-analytic -9.86918E+0 0E+0 3.23848E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pa2O5(s)
|
|
Pa2O5 = - 2.000H+ + 2.000PaO2+ + 1.000H2O
|
|
log_k -4.000 #76BAE/MES
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PaO2(s)
|
|
PaO2 = - 4.000H+ + 1.000Pa+4 + 2.000H2O
|
|
log_k 0.600 #76BAE/MES
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6E-1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Paragonite
|
|
NaAl3Si3O10(OH)2 = 1.000Na+ + 3.000Al+3 - 10.000H+ + 3.000H4(SiO4)
|
|
log_k 16.790
|
|
delta_h -301.622 #kJ/mol
|
|
# Enthalpy of formation: -5937.5 #kJ/mol #96ROU/HOV
|
|
-analytic -3.60518E+1 0E+0 1.57548E+4 0E+0 0E+0
|
|
-Vm 132.1
|
|
|
|
Paralaurionite
|
|
PbCl(OH) = 1.000Pb+2 - 1.000H+ + 1.000Cl- + 1.000H2O
|
|
log_k 0.620 #99LOT/OCH
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 6.2E-1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pb(H2PO4)2(cr)
|
|
Pb(H2PO4)2 = 1.000Pb+2 + 2.000H2(PO4)-
|
|
log_k -9.840 #74NRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -9.84E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pb(HPO4)(s)
|
|
Pb(HPO4) = 1.000Pb+2 - 1.000H+ + 1.000H2(PO4)-
|
|
log_k -4.250 #74NRI
|
|
delta_h 16.436 #kJ/mol
|
|
# Enthalpy of formation: -1318.115 #kJ/mol
|
|
-analytic -1.37054E+0 0E+0 -8.58511E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pb(OH)2(s)
|
|
Pb(OH)2 = 1.000Pb+2 - 2.000H+ + 2.000H2O
|
|
log_k 13.510
|
|
delta_h -56.140 #kJ/mol
|
|
# Enthalpy of formation: -514.6 #kJ/mol #52LAT
|
|
-analytic 3.67471E+0 0E+0 2.93239E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pb(SeO3)(s)
|
|
Pb(SeO3) = 1.000Pb+2 + 1.000SeO3-2
|
|
log_k -12.500 #05OLI/NOL
|
|
delta_h 25.840 #kJ/mol
|
|
# Enthalpy of formation: -532.08 #kJ/mol #05OLI/NOL
|
|
-analytic -7.97303E+0 0E+0 -1.34972E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pb(SeO4)(s)
|
|
Pb(SeO4) = 1.000Pb+2 + 1.000SeO4-2
|
|
log_k -6.900 #05OLI/NOL
|
|
delta_h 4.720 #kJ/mol #05OLI/NOL
|
|
# Enthalpy of formation: -607.3 #kJ/mol
|
|
-analytic -6.07309E+0 0E+0 -2.46542E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pb(cr)
|
|
Pb = 1.000Pb+2 + 2.000e-
|
|
log_k 4.250
|
|
delta_h 0.920 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
|
|
-analytic 4.41118E+0 0E+0 -4.80549E+1 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pb2(SiO4)(s)
|
|
Pb2(SiO4) = 2.000Pb+2 - 4.000H+ + 1.000H4(SiO4)
|
|
log_k 15.890
|
|
delta_h -81.474 #kJ/mol
|
|
# Enthalpy of formation: -1377.88 #kJ/mol #98CHA
|
|
-analytic 1.61639E+0 0E+0 4.25568E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pb3(AsO4)2(s)
|
|
Pb3(AsO4)2 = 3.000Pb+2 + 2.000AsO4-3
|
|
log_k -35.400 #74NAU/RYZ
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.54E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pb3(PO4)2(s)
|
|
Pb3(PO4)2 = 3.000Pb+2 - 4.000H+ + 2.000H2(PO4)-
|
|
log_k -5.260 #74NRI
|
|
delta_h -3.548 #kJ/mol
|
|
# Enthalpy of formation: -2598.892 #kJ/mol
|
|
-analytic -5.88158E+0 0E+0 1.85325E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pb4O(PO4)2(cr)
|
|
Pb4O(PO4)2 = 4.000Pb+2 - 6.000H+ + 2.000H2(PO4)- + 1.000H2O
|
|
log_k 2.240 #74NRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.24E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PbB2O4(s)
|
|
PbB2O4 = 1.000Pb+2 + 2.000B(OH)4- - 4.000H2O
|
|
log_k -10.870 #91BAL/NOR
|
|
delta_h 2.761 #kJ/mol #91BAL/NOR
|
|
# Enthalpy of formation: -1548.753 #kJ/mol
|
|
-analytic -1.03863E+1 0E+0 -1.44217E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PbF2(s)
|
|
PbF2 = 1.000Pb+2 + 2.000F-
|
|
log_k -7.520 #99LOT/OCH
|
|
delta_h 6.530 #kJ/mol
|
|
# Enthalpy of formation: -676.309 #kJ/mol
|
|
-analytic -6.37599E+0 0E+0 -3.41085E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PbI2(cr)
|
|
PbI2 = 1.000Pb+2 + 2.000I-
|
|
log_k -8.050
|
|
delta_h 62.816 #kJ/mol
|
|
# Enthalpy of formation: -175.456 #kJ/mol
|
|
-analytic 2.95487E+0 0E+0 -3.2811E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PbMoO4(s)
|
|
PbMoO4 = 1.000Pb+2 + 1.000MoO4-2
|
|
log_k -15.800
|
|
delta_h 55.795 #kJ/mol
|
|
# Enthalpy of formation: -1051.875 #kJ/mol
|
|
-analytic -6.02515E+0 0E+0 -2.91437E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PbSiO3(Glass)
|
|
PbSiO3 = 1.000Pb+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O
|
|
log_k 6.600
|
|
delta_h -36.814 #kJ/mol
|
|
# Enthalpy of formation: -1137.63 #kJ/mol #74NAU/RYZ
|
|
-analytic 1.50474E-1 0E+0 1.92293E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pd(OH)2(s)
|
|
Pd(OH)2 = - 2.000H+ + 1.000Pd+2 + 2.000H2O
|
|
log_k -1.610 #70NAB/KAL
|
|
delta_h 13.229 #kJ/mol
|
|
# Enthalpy of formation: -395 #kJ/mol #82WAG/EVA
|
|
-analytic 7.07618E-1 0E+0 -6.90998E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pd(cr)
|
|
Pd = 1.000Pd+2 + 2.000e-
|
|
log_k -33.030
|
|
delta_h 189.889 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #79ROB/HEM in 98SAS/SHO
|
|
-analytic 2.37076E-1 0E+0 -9.91858E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PdBr2(cr)
|
|
PdBr2 = 1.000Pd+2 + 2.000Br-
|
|
log_k -13.310 #89BAE/McK
|
|
delta_h 51.269 #kJ/mol
|
|
# Enthalpy of formation: -104.2 #kJ/mol #89BAE/McK
|
|
-analytic -4.32807E+0 0E+0 -2.67796E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PdCl2(cr)
|
|
PdCl2 = 1.000Pd+2 + 2.000Cl-
|
|
log_k -9.200
|
|
delta_h 54.429 #kJ/mol
|
|
# Enthalpy of formation: -198.7 #kJ/mol #82WAG/EVA
|
|
-analytic 3.35537E-1 0E+0 -2.84302E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PdI2(cr)
|
|
PdI2 = 1.000Pd+2 + 2.000I-
|
|
log_k -25.870
|
|
delta_h 139.929 #kJ/mol
|
|
# Enthalpy of formation: -63.6 #kJ/mol #89BAE/McK
|
|
-analytic -1.35553E+0 0E+0 -7.30899E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PdO(s)
|
|
PdO = - 2.000H+ + 1.000Pd+2 + 1.000H2O
|
|
log_k -6.020
|
|
delta_h -10.541 #kJ/mol
|
|
# Enthalpy of formation: -85.4 #kJ/mol #82WAG/EVA
|
|
-analytic -7.8667E+0 0E+0 5.50594E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PdS(s)
|
|
PdS = - 1.000H+ + 1.000Pd+2 + 1.000HS-
|
|
log_k -46.860
|
|
delta_h 244.299 #kJ/mol
|
|
# Enthalpy of formation: -70.71 #kJ/mol #74MIL
|
|
-analytic -4.06072E+0 0E+0 -1.27606E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PdSe(s)
|
|
PdSe = - 1.000H+ + 1.000Pd+2 + 1.000HSe-
|
|
log_k -49.110
|
|
delta_h 254.469 #kJ/mol
|
|
# Enthalpy of formation: -50.28 #kJ/mol #74MIL
|
|
-analytic -4.52901E+0 0E+0 -1.32918E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pentahydrite
|
|
MgSO4:5H2O = 1.000Mg+2 + 1.000SO4-2 + 5.000H2O
|
|
log_k -1.280 #80HAR/WEA
|
|
delta_h -14.187 #kJ/mol
|
|
# Enthalpy of formation: -2791.3 #kJ/mol
|
|
-analytic -3.76545E+0 0E+0 7.41038E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Periclase
|
|
MgO = 1.000Mg+2 - 2.000H+ + 1.000H2O
|
|
log_k 21.580
|
|
delta_h -151.230 #kJ/mol
|
|
# Enthalpy of formation: -601.6 #kJ/mol #89COX/WAG
|
|
-analytic -4.91432E+0 0E+0 7.89928E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Phillipsite_Ca
|
|
Ca0.5AlSi3O8:3H2O = 0.500Ca+2 + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O
|
|
log_k 2.320 #09BLA
|
|
delta_h -83.633 #kJ/mol
|
|
# Enthalpy of formation: -4824.02 #kJ/mol
|
|
-analytic -1.23319E+1 0E+0 4.36845E+3 0E+0 0E+0
|
|
-Vm 151.15
|
|
|
|
Phillipsite_K
|
|
KAlSi3O8:3H2O = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O
|
|
log_k 0.040 #09BLA
|
|
delta_h -46.436 #kJ/mol
|
|
# Enthalpy of formation: -4841.858 #kJ/mol
|
|
-analytic -8.09523E+0 0E+0 2.42552E+3 0E+0 0E+0
|
|
-Vm 148.97
|
|
|
|
Phillipsite_Na
|
|
NaAlSi3O8:3H2O = 1.000Na+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 1.000H2O
|
|
log_k 1.450 #09BLA
|
|
delta_h -64.833 #kJ/mol
|
|
# Enthalpy of formation: -4811.661 #kJ/mol
|
|
-analytic -9.90824E+0 0E+0 3.38646E+3 0E+0 0E+0
|
|
-Vm 149.69
|
|
|
|
Phlogopite_K
|
|
KMg3Si3AlO10(OH)2 = 3.000Mg+2 + 1.000K+ + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4)
|
|
log_k 41.080
|
|
delta_h -360.122 #kJ/mol
|
|
# Enthalpy of formation: -6215 #kJ/mol #92CIR/NAV
|
|
-analytic -2.20106E+1 0E+0 1.88105E+4 0E+0 0E+0
|
|
-Vm 149.65
|
|
|
|
Phlogopite_Na
|
|
NaMg3AlSi3O10(OH)2 = 3.000Mg+2 + 1.000Na+ + 1.000Al+3 - 10.000H+ + 3.000H4(SiO4)
|
|
log_k 44.180
|
|
delta_h -391.182 #kJ/mol
|
|
# Enthalpy of formation: -6172.14 #kJ/mol #98HOL/POW
|
|
-analytic -2.4352E+1 0E+0 2.04328E+4 0E+0 0E+0
|
|
-Vm 144.5
|
|
|
|
Phosgenite
|
|
Pb2(CO3)Cl2 = 2.000Pb+2 + 1.000CO3-2 + 2.000Cl-
|
|
log_k 19.900 #74NAU/RYZ
|
|
delta_h -163.291 #kJ/mol
|
|
# Enthalpy of formation: -844.259 #kJ/mol
|
|
-analytic -8.70731E+0 0E+0 8.52927E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Picromerite
|
|
K2Mg(SO4)2:6H2O = 1.000Mg+2 + 2.000K+ + 2.000SO4-2 + 6.000H2O
|
|
log_k -4.330 #84HAR/MOL
|
|
delta_h 33.487 #kJ/mol
|
|
# Enthalpy of formation: -4538.427 #kJ/mol #74NAU/RYZ
|
|
-analytic 1.53666E+0 0E+0 -1.74915E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pirssonite
|
|
Na2Ca(CO3)2:2H2O = 1.000Ca+2 + 2.000Na+ + 2.000CO3-2 + 2.000H2O
|
|
log_k -8.910 #99KON/KON
|
|
delta_h 9.579 #kJ/mol
|
|
# Enthalpy of formation: -2955.379 #kJ/mol
|
|
-analytic -7.23183E+0 0E+0 -5.00345E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Plattnerite
|
|
PbO2 = 1.000Pb+2 - 4.000H+ - 2.000e- + 2.000H2O
|
|
log_k 49.600
|
|
delta_h -296.270 #kJ/mol
|
|
# Enthalpy of formation: -274.47 #kJ/mol #98CHA
|
|
-analytic -2.3042E+0 0E+0 1.54752E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Plumbogummite
|
|
PbAl3(PO4)2(OH)5:H2O = 1.000Pb+2 + 3.000Al+3 - 9.000H+ + 2.000H2(PO4)- + 6.000H2O
|
|
log_k 13.240 #74NRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.324E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Plumbonacrite
|
|
Pb10(CO3)6O(OH)6 = 10.000Pb+2 - 8.000H+ + 6.000CO3-2 + 7.000H2O
|
|
log_k -42.090
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.209E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Polydymite
|
|
Ni3S4 = 3.000Ni+2 - 4.000H+ - 2.000e- + 4.000HS-
|
|
log_k -39.270
|
|
delta_h 96.116 #kJ/mol
|
|
# Enthalpy of formation: -326.352 #kJ/mol #74MIL
|
|
-analytic -2.24312E+1 0E+0 -5.02048E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Polyhalite
|
|
K2MgCa2(SO4)4:2H2O = 2.000Ca+2 + 1.000Mg+2 + 2.000K+ + 4.000SO4-2 + 2.000H2O
|
|
log_k -13.740 #84HAR/MOL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.374E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Portlandite
|
|
Ca(OH)2 = 1.000Ca+2 - 2.000H+ + 2.000H2O
|
|
log_k 22.810 #10BLA/BOU1
|
|
delta_h -130.107 #kJ/mol
|
|
# Enthalpy of formation: -984.552 #kJ/mol
|
|
-analytic 1.62655E-2 0E+0 6.79595E+3 0E+0 0E+0
|
|
-Vm 33.06
|
|
|
|
Pu(CO3)(OH)(s)
|
|
Pu(CO3)(OH) = 1.000Pu+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O
|
|
log_k -5.740 #Estimated by correlation with An(III) in function of ionic radii
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.74E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pu(HPO4)2(am,hyd)
|
|
Pu(HPO4)2 = 1.000Pu+4 - 2.000H+ + 2.000H2(PO4)-
|
|
log_k -16.030 #01LEM/FUG
|
|
delta_h -32.691 #kJ/mol
|
|
# Enthalpy of formation: -3112.403 #kJ/mol
|
|
-analytic -2.17572E+1 0E+0 1.70757E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pu(OH)3(cr)
|
|
Pu(OH)3 = 1.000Pu+3 - 3.000H+ + 3.000H2O
|
|
log_k 15.800 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.58E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pu(OH)4(am)
|
|
Pu(OH)4 = 1.000Pu+4 - 4.000H+ + 4.000H2O
|
|
log_k -0.800 #89LEM/GAR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -8E-1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pu(PO4)(s,hyd)
|
|
Pu(PO4) = 1.000Pu+3 - 2.000H+ + 1.000H2(PO4)-
|
|
log_k -5.040 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.04E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pu(cr)
|
|
Pu = 1.000Pu+3 + 3.000e-
|
|
log_k 101.430
|
|
delta_h -591.790 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #01LEM/FUG
|
|
-analytic -2.24701E+0 0E+0 3.09113E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pu2O3(s)
|
|
Pu2O3 = 2.000Pu+3 - 6.000H+ + 3.000H2O
|
|
log_k 50.630
|
|
delta_h -385.070 #kJ/mol
|
|
# Enthalpy of formation: -1656 #kJ/mol #01LEM/FUG
|
|
-analytic -1.68313E+1 0E+0 2.01136E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PuAs(s)
|
|
PuAs = 1.000PuO2+2 + 12.000H+ + 11.000e- + 1.000AsO4-3 - 6.000H2O
|
|
log_k -44.420
|
|
delta_h 244.804 #kJ/mol
|
|
# Enthalpy of formation: -240 #kJ/mol #01LEM/FUG
|
|
-analytic -1.53224E+0 0E+0 -1.2787E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PuF4(s)
|
|
PuF4 = 1.000Pu+4 + 4.000F-
|
|
log_k -26.070 #01LEM/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.607E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PuO2(CO3)(s)
|
|
PuO2(CO3) = 1.000PuO2+2 + 1.000CO3-2
|
|
log_k -14.650 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.465E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PuO2(OH)(s)
|
|
PuO2(OH) = 1.000PuO2+ - 1.000H+ + 1.000H2O
|
|
log_k 5.000 #01LEM/FUG
|
|
delta_h -36.164 #kJ/mol
|
|
# Enthalpy of formation: -1159.793 #kJ/mol
|
|
-analytic -1.33565E+0 0E+0 1.88897E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PuO2(OH)2:H2O(s)
|
|
PuO2(OH)2:H2O = 1.000PuO2+2 - 2.000H+ + 3.000H2O
|
|
log_k 5.500 #01LEM/FUG
|
|
delta_h -46.718 #kJ/mol
|
|
# Enthalpy of formation: -1632.807 #kJ/mol
|
|
-analytic -2.68463E+0 0E+0 2.44025E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PuO2(Ox):3H2O(s)
|
|
PuO2(Ox):3H2O = 1.000PuO2+2 + 1.000Ox-2 + 3.000H2O
|
|
log_k -10.000 #05HUM/AND
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PuO2(coll,hyd)
|
|
PuO2 = 1.000Pu+4 - 4.000H+ + 2.000H2O
|
|
log_k 0.200 #07NEC/ALT3
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2E-1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PuO2(s)
|
|
PuO2 = 1.000Pu+4 - 4.000H+ + 2.000H2O
|
|
log_k -8.030
|
|
delta_h -55.755 #kJ/mol
|
|
# Enthalpy of formation: -1055.8 #kJ/mol #01LEM/FUG
|
|
-analytic -1.77978E+1 0E+0 2.91228E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
PuO2:2H2O(am)
|
|
PuO2:2H2O = 1.000Pu+4 - 4.000H+ + 4.000H2O
|
|
log_k -2.370 #03GUI/FAN
|
|
delta_h -58.546 #kJ/mol
|
|
# Enthalpy of formation: -1624.668 #kJ/mol
|
|
-analytic -1.26268E+1 0E+0 3.05807E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pyrite
|
|
FeS2 = 1.000Fe+2 - 2.000H+ - 2.000e- + 2.000HS-
|
|
log_k -15.790
|
|
delta_h 45.050 #kJ/mol
|
|
# Enthalpy of formation: -167.65 #kJ/mol #76RAU in 04CHI
|
|
-analytic -7.89759E+0 0E+0 -2.35312E+3 0E+0 0E+0
|
|
-Vm 23.94
|
|
|
|
Pyrochroite
|
|
Mn(OH)2 = 1.000Mn+2 - 2.000H+ + 2.000H2O
|
|
log_k 15.300 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.53E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pyromorphite
|
|
Pb5Cl(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000Cl- + 3.000H2(PO4)-
|
|
log_k -25.750 #74NRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.575E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pyromorphite-Br
|
|
Pb5Br(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000Br- + 3.000H2(PO4)-
|
|
log_k -19.450 #74NRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.945E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pyromorphite-F
|
|
Pb5F(PO4)3 = 5.000Pb+2 - 6.000H+ + 1.000F- + 3.000H2(PO4)-
|
|
log_k -13.100 #74NRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.31E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pyromorphite-OH
|
|
Pb5(OH)(PO4)3 = 5.000Pb+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O
|
|
log_k -4.150 #74NRI
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -4.15E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Pyrophyllite
|
|
Al2Si4O10(OH)2 = 2.000Al+3 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
|
|
log_k -0.440
|
|
delta_h -138.256 #kJ/mol
|
|
# Enthalpy of formation: -5640 #kJ/mol #95ROB/HEM
|
|
-analytic -2.46614E+1 0E+0 7.2216E+3 0E+0 0E+0
|
|
-Vm 128.1
|
|
|
|
Pyrrhotite
|
|
Fe0.87S = 0.870Fe+2 - 1.000H+ - 0.260e- + 1.000HS-
|
|
log_k -5.670
|
|
delta_h 2.900 #kJ/mol
|
|
# Enthalpy of formation: -97.5 #kJ/mol #95ROB/HEM
|
|
-analytic -5.16194E+0 0E+0 -1.51477E+2 0E+0 0E+0
|
|
-Vm 18.2
|
|
|
|
Quartz
|
|
SiO2 = 1.000H4(SiO4) - 2.000H2O
|
|
log_k -3.740
|
|
delta_h 21.166 #kJ/mol
|
|
# Enthalpy of formation: -910.7 #kJ/mol #82RIC/BOT
|
|
-analytic -3.18814E-2 0E+0 -1.10558E+3 0E+0 0E+0
|
|
-Vm 22.69
|
|
|
|
Ra(CO3)(s)
|
|
Ra(CO3) = 1.000Ra+2 + 1.000CO3-2
|
|
log_k -8.300 #85LAN/RIE
|
|
delta_h 13.640 #kJ/mol
|
|
# Enthalpy of formation: -1216.896 #kJ/mol
|
|
-analytic -5.91038E+0 0E+0 -7.12466E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ra(NO3)2(s)
|
|
Ra(NO3)2 = 1.000Ra+2 + 2.000NO3-
|
|
log_k -2.210
|
|
delta_h 49.981 #kJ/mol
|
|
# Enthalpy of formation: -991.706 #kJ/mol
|
|
-analytic 6.54628E+0 0E+0 -2.61069E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ra(OH)2(s)
|
|
Ra(OH)2 = - 2.000H+ + 1.000Ra+2 + 2.000H2O
|
|
log_k 30.990
|
|
delta_h -149.762 #kJ/mol
|
|
# Enthalpy of formation: -949.923 #kJ/mol
|
|
-analytic 4.75286E+0 0E+0 7.8226E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ra(SO4)(s)
|
|
Ra(SO4) = 1.000Ra+2 + 1.000SO4-2
|
|
log_k -10.260 #99SCH, 85LAN/RIE
|
|
delta_h 39.014 #kJ/mol
|
|
# Enthalpy of formation: -1476.379 #kJ/mol
|
|
-analytic -3.42505E+0 0E+0 -2.03784E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ra(cr)
|
|
Ra = 1.000Ra+2 + 2.000e-
|
|
log_k 98.440
|
|
delta_h -528.025 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #82WAG/EVA
|
|
-analytic 5.93413E+0 0E+0 2.75806E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
RaCl2:2H2O(s)
|
|
RaCl2:2H2O = 1.000Ra+2 + 2.000Cl- + 2.000H2O
|
|
log_k -0.730
|
|
delta_h 32.221 #kJ/mol
|
|
# Enthalpy of formation: -1466.065 #kJ/mol
|
|
-analytic 4.91487E+0 0E+0 -1.68302E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Rb(cr)
|
|
Rb = 1.000e- + 1.000Rb+
|
|
log_k 49.760
|
|
delta_h -251.120 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #92GRE/FUG
|
|
-analytic 5.76573E+0 0E+0 1.31169E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Rb2MoO4(s)
|
|
Rb2MoO4 = 1.000MoO4-2 + 2.000Rb+
|
|
log_k 3.100
|
|
delta_h -5.315 #kJ/mol
|
|
# Enthalpy of formation: -1493.925 #kJ/mol
|
|
-analytic 2.16885E+0 0E+0 2.77621E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Realgar
|
|
AsS = 7.000H+ + 3.000e- + 1.000HS- + 1.000AsO4-3 - 4.000H2O
|
|
log_k -67.060
|
|
delta_h 310.285 #kJ/mol
|
|
# Enthalpy of formation: -71.406 #kJ/mol
|
|
-analytic -1.27005E+1 0E+0 -1.62073E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Rhodochrosite
|
|
Mn(CO3) = 1.000Mn+2 + 1.000CO3-2
|
|
log_k -11.130 #92PEA/BER
|
|
delta_h -5.899 #kJ/mol #92PEA/BER
|
|
# Enthalpy of formation: -890.131 #kJ/mol
|
|
-analytic -1.21635E+1 0E+0 3.08126E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Rhodochrosite(syn)
|
|
Mn(CO3) = 1.000Mn+2 + 1.000CO3-2
|
|
log_k -10.490
|
|
delta_h -6.842 #kJ/mol
|
|
# Enthalpy of formation: -889.188 #kJ/mol #92JOH
|
|
-analytic -1.16887E+1 0E+0 3.57382E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Ripidolite_Cca-2
|
|
(Mg2.964Fe1.712Fe0.215Al1.116Ca0.011)(Si2.633Al1.367)O10(OH)8 = 0.011Ca+2 + 2.964Mg+2 + 0.215Fe+3 + 1.712Fe+2 + 2.483Al+3 - 17.468H+ + 2.633H4(SiO4) + 7.468H2O
|
|
log_k 61.320
|
|
delta_h -633.385 #kJ/mol
|
|
# Enthalpy of formation: -8240.14 #kJ/mol #13BLA/GAI2
|
|
-analytic -4.96441E+1 0E+0 3.3084E+4 0E+0 0E+0
|
|
-Vm 211.83
|
|
|
|
Romarchite
|
|
SnO = 1.000Sn+2 - 2.000H+ + 1.000H2O
|
|
log_k 1.590
|
|
delta_h -11.207 #kJ/mol
|
|
# Enthalpy of formation: -284.24 #kJ/mol #12GAM/GAJ
|
|
-analytic -3.73379E-1 0E+0 5.85382E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Rutherfordine
|
|
(UO2)(CO3) = 1.000UO2+2 + 1.000CO3-2
|
|
log_k -14.760 #03GUI/FAN
|
|
delta_h -2.929 #kJ/mol
|
|
# Enthalpy of formation: -1691.302 #kJ/mol
|
|
-analytic -1.52731E+1 0E+0 1.52992E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
S(cr)
|
|
S = - 1.000H+ - 2.000e- + 1.000HS-
|
|
log_k -2.140
|
|
delta_h -16.300 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
|
|
-analytic -4.99563E+0 0E+0 8.51407E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sacchite
|
|
MnCl2 = 1.000Mn+2 + 2.000Cl-
|
|
log_k 8.770 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.77E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sanidine
|
|
KAlSi3O8 = 1.000K+ + 1.000Al+3 - 4.000H+ + 3.000H4(SiO4) - 4.000H2O
|
|
log_k 0.580
|
|
delta_h -65.072 #kJ/mol
|
|
# Enthalpy of formation: -3965.73 #kJ/mol #99ARN/STE
|
|
-analytic -1.08201E+1 0E+0 3.39894E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Saponite-Ca
|
|
Ca0.17Mg3Al0.34Si3.66O10(OH)2 = 0.170Ca+2 + 3.000Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
|
|
log_k 29.340
|
|
delta_h -271.305 #kJ/mol
|
|
# Enthalpy of formation: -5998.44 #kJ/mol #15BLA/VIE
|
|
-analytic -1.81905E+1 0E+0 1.41712E+4 0E+0 0E+0
|
|
-Vm 142.57
|
|
|
|
Saponite-FeCa
|
|
Ca0.17Mg2FeAl0.34Si3.66O10(OH)2 = 0.170Ca+2 + 2.000Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
|
|
log_k 24.460
|
|
delta_h -259.175 #kJ/mol
|
|
# Enthalpy of formation: -5633.57 #kJ/mol #15BLA/VIE
|
|
-analytic -2.09454E+1 0E+0 1.35376E+4 0E+0 0E+0
|
|
-Vm 145.15
|
|
|
|
Saponite-FeK
|
|
K0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2.000Mg+2 + 0.340K+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
|
|
log_k 25.380
|
|
delta_h -240.632 #kJ/mol
|
|
# Enthalpy of formation: -5645.53 #kJ/mol #15BLA/VIE
|
|
-analytic -1.67769E+1 0E+0 1.25691E+4 0E+0 0E+0
|
|
-Vm 144.27
|
|
|
|
Saponite-FeMg
|
|
Mg0.17Mg2FeAl0.34Si3.66O10(OH)2 = 2.170Mg+2 + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
|
|
log_k 26.000
|
|
delta_h -260.345 #kJ/mol
|
|
# Enthalpy of formation: -5619.48 #kJ/mol #15BLA/VIE
|
|
-analytic -1.96104E+1 0E+0 1.35987E+4 0E+0 0E+0
|
|
-Vm 141.16
|
|
|
|
Saponite-FeNa
|
|
Na0.34Mg2FeAl0.34Si3.66O10(OH)2 = 2.000Mg+2 + 0.340Na+ + 1.000Fe+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
|
|
log_k 25.710
|
|
delta_h -248.260 #kJ/mol
|
|
# Enthalpy of formation: -5633.89 #kJ/mol #15BLA/VIE
|
|
-analytic -1.77832E+1 0E+0 1.29675E+4 0E+0 0E+0
|
|
-Vm 143.54
|
|
|
|
Saponite-K
|
|
K0.34Mg3Al0.34Si3.66O10(OH)2 = 3.000Mg+2 + 0.340K+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
|
|
log_k 28.170
|
|
delta_h -252.772 #kJ/mol
|
|
# Enthalpy of formation: -6010.39 #kJ/mol #15BLA/VIE
|
|
-analytic -1.61137E+1 0E+0 1.32032E+4 0E+0 0E+0
|
|
-Vm 141.69
|
|
|
|
Saponite-Mg
|
|
Mg0.17Mg3Al0.34Si3.66O10(OH)2 = 3.170Mg+2 + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
|
|
log_k 28.790
|
|
delta_h -272.485 #kJ/mol
|
|
# Enthalpy of formation: -5984.34 #kJ/mol #15BLA/VIE
|
|
-analytic -1.89473E+1 0E+0 1.42329E+4 0E+0 0E+0
|
|
-Vm 138.58
|
|
|
|
Saponite-Na
|
|
Na0.34Mg3Al0.34Si3.66O10(OH)2 = 3.000Mg+2 + 0.340Na+ + 0.340Al+3 - 7.360H+ + 3.660H4(SiO4) - 2.640H2O
|
|
log_k 28.670
|
|
delta_h -261.390 #kJ/mol
|
|
# Enthalpy of formation: -5997.76 #kJ/mol #15BLA/VIE
|
|
-analytic -1.71235E+1 0E+0 1.36533E+4 0E+0 0E+0
|
|
-Vm 140.96
|
|
|
|
Saponite_SapCa
|
|
(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2 = 0.038Ca+2 + 2.949Mg+2 + 0.021K+ + 0.394Na+ + 0.034Fe+3 + 0.021Fe+2 + 0.397Al+3 - 7.724H+ + 3.569H4(SiO4) - 2.276H2O
|
|
log_k 31.450
|
|
delta_h -285.499 #kJ/mol
|
|
# Enthalpy of formation: -5994.06 #kJ/mol #13GAI/BLA
|
|
-analytic -1.85672E+1 0E+0 1.49126E+4 0E+0 0E+0
|
|
-Vm 141.66
|
|
|
|
Saponite_SapCa(4.151H2O)
|
|
(Na0.394K0.021Ca0.038)(Si3.569Al0.397)(Mg2.949Fe0.034Fe0.021)O10(OH)2:4.151H2O = 0.038Ca+2 + 2.949Mg+2 + 0.021K+ + 0.394Na+ + 0.034Fe+3 + 0.021Fe+2 + 0.397Al+3 - 7.724H+ + 3.569H4(SiO4) + 1.875H2O
|
|
log_k 28.270
|
|
delta_h -255.589 #kJ/mol
|
|
# Enthalpy of formation: -7210.45 #kJ/mol #09GAI
|
|
-analytic -1.65072E+1 0E+0 1.33503E+4 0E+0 0E+0
|
|
-Vm 216.67
|
|
|
|
Sb(cr)
|
|
Sb = 3.000H+ + 3.000e- + 1.000Sb(OH)3 - 3.000H2O
|
|
log_k -11.670
|
|
delta_h 83.597 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #98KON/VAN
|
|
-analytic 2.97554E+0 0E+0 -4.36657E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sb2O5(s)
|
|
Sb2O5 = 2.000Sb(OH)5 - 5.000H2O
|
|
log_k -7.400 #48TOU/MOU in 76BAE/MES
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -7.4E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Schoepite
|
|
UO3:2H2O = 1.000UO2+2 - 2.000H+ + 3.000H2O
|
|
log_k 5.960 #91SAN/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5.96E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Schoepite(des)
|
|
UO3:0.9H2O = 1.000UO2+2 - 2.000H+ + 1.900H2O
|
|
log_k 5.000
|
|
delta_h -55.777 #kJ/mol
|
|
# Enthalpy of formation: -1506.3 #kJ/mol #92GRE/FUG
|
|
-analytic -4.7717E+0 0E+0 2.91343E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Scolecite
|
|
CaAl2Si3O10:3H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 3.000H4(SiO4) + 1.000H2O
|
|
log_k 16.630
|
|
delta_h -240.212 #kJ/mol
|
|
# Enthalpy of formation: -6049 #kJ/mol #83JOH/FLO
|
|
-analytic -2.54533E+1 0E+0 1.25471E+4 0E+0 0E+0
|
|
-Vm 172.3
|
|
|
|
Se(s)
|
|
Se = - 1.000H+ - 2.000e- + 1.000HSe-
|
|
log_k -7.620
|
|
delta_h 14.300 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #92GRE/FUG
|
|
-analytic -5.11475E+0 0E+0 -7.4694E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Se3U(cr)
|
|
Se3U = 1.000UO2+2 + 1.000H+ + 3.000HSe- - 2.000H2O
|
|
log_k -18.270
|
|
delta_h 47.560 #kJ/mol
|
|
# Enthalpy of formation: -452 #kJ/mol #92GRE/FUG
|
|
-analytic -9.93786E+0 0E+0 -2.48423E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SeO3(cr)
|
|
SeO3 = 2.000H+ + 1.000SeO4-2 - 1.000H2O
|
|
log_k 20.360
|
|
delta_h -154.570 #kJ/mol
|
|
# Enthalpy of formation: -163.1 #kJ/mol #05OLI/NOL
|
|
-analytic -6.71946E+0 0E+0 8.07374E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SeU(cr)
|
|
SeU = 1.000U+4 - 1.000H+ + 2.000e- + 1.000HSe-
|
|
log_k 37.340
|
|
delta_h -304.900 #kJ/mol
|
|
# Enthalpy of formation: -272 #kJ/mol #05OLI/NOL
|
|
-analytic -1.60761E+1 0E+0 1.5926E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Si(cr)
|
|
Si = 4.000H+ + 4.000e- + 1.000H4(SiO4) - 4.000H2O
|
|
log_k 63.190
|
|
delta_h -317.874 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
|
|
-analytic 7.50095E+0 0E+0 1.66037E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SiO2(am)
|
|
SiO2 = 1.000H4(SiO4) - 2.000H2O
|
|
log_k -2.710 #00GUN/ARN
|
|
delta_h 13.522 #kJ/mol
|
|
# Enthalpy of formation: -903.057 #kJ/mol
|
|
-analytic -3.41051E-1 0E+0 -7.06302E+2 0E+0 0E+0
|
|
-Vm 29
|
|
|
|
Siderite
|
|
Fe(CO3) = 1.000Fe+2 + 1.000CO3-2
|
|
log_k -10.800 #92BRU/WER
|
|
delta_h -12.012 #kJ/mol
|
|
# Enthalpy of formation: -753.218 #kJ/mol
|
|
-analytic -1.29044E+1 0E+0 6.2743E+2 0E+0 0E+0
|
|
-Vm 29.38
|
|
|
|
Siderophyllite
|
|
KFe2Al3Si2O10(OH)2 = 1.000K+ + 2.000Fe+2 + 3.000Al+3 - 14.000H+ + 2.000H4(SiO4) + 4.000H2O
|
|
log_k 40.560
|
|
delta_h -484.778 #kJ/mol
|
|
# Enthalpy of formation: -5628.27 #kJ/mol #90HOL/POW
|
|
-analytic -4.43693E+1 0E+0 2.53217E+4 0E+0 0E+0
|
|
-Vm 150.63
|
|
|
|
Sm(OH)3(am)
|
|
Sm(OH)3 = 1.000Sm+3 - 3.000H+ + 3.000H2O
|
|
log_k 17.850 #98DIA/RAG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.785E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sm(OH)3(s)
|
|
Sm(OH)3 = 1.000Sm+3 - 3.000H+ + 3.000H2O
|
|
log_k 16.130 #98DIA/RAG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.613E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sm(cr)
|
|
Sm = 1.000Sm+3 + 3.000e-
|
|
log_k 116.620
|
|
delta_h -691.198 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #79ROB/HEM
|
|
-analytic -4.47251E+0 0E+0 3.61037E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sm2(CO3)3(s)
|
|
Sm2(CO3)3 = 2.000Sm+3 + 3.000CO3-2
|
|
log_k -34.500 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.45E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sm2(SO4)3(s)
|
|
Sm2(SO4)3 = 2.000Sm+3 + 3.000SO4-2
|
|
log_k -9.800 #95SPA/BRU
|
|
delta_h -211.316 #kJ/mol
|
|
# Enthalpy of formation: -3899.1 #kJ/mol #82WAG/EVA
|
|
-analytic -4.68209E+1 0E+0 1.10378E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sm2O3(s)
|
|
Sm2O3 = 2.000Sm+3 - 6.000H+ + 3.000H2O
|
|
log_k 43.110
|
|
delta_h -355.036 #kJ/mol
|
|
# Enthalpy of formation: -1884.849 #kJ/mol
|
|
-analytic -1.90895E+1 0E+0 1.85448E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SmCl3:6H2O(s)
|
|
SmCl3:6H2O = 1.000Sm+3 + 3.000Cl- + 6.000H2O
|
|
log_k 4.800 #96FAL/REA
|
|
delta_h -38.319 #kJ/mol
|
|
# Enthalpy of formation: -2869.096 #kJ/mol
|
|
-analytic -1.91319E+0 0E+0 2.00154E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SmF3:0.5H2O(s)
|
|
SmF3:0.5H2O = 1.000Sm+3 + 3.000F- + 0.500H2O
|
|
log_k -17.500 #95SPA/BRU
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.75E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SmOHCO3(cr)
|
|
SmOHCO3 = 1.000Sm+3 - 1.000H+ + 1.000CO3-2 + 1.000H2O
|
|
log_k -10.230
|
|
delta_h -38.858 #kJ/mol
|
|
# Enthalpy of formation: -1613.4 #kJ/mol #05ROR/FUG
|
|
-analytic -1.70376E+1 0E+0 2.02969E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SmOHCO3:0.5H2O(cr)
|
|
SmOHCO3:0.5H2O = 1.000Sm+3 - 1.000H+ + 1.000CO3-2 + 1.500H2O
|
|
log_k -7.310
|
|
delta_h -51.073 #kJ/mol
|
|
# Enthalpy of formation: -1744.1 #kJ/mol #05ROR/FUG
|
|
-analytic -1.62576E+1 0E+0 2.66772E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SmPO4:H2O(am)
|
|
SmPO4:H2O = 1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O
|
|
log_k -5.000 #05CET/WOO
|
|
delta_h -26.479 #kJ/mol
|
|
# Enthalpy of formation: -2253.149 #kJ/mol #05CET/WOO
|
|
-analytic -9.63891E+0 0E+0 1.38309E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SmPO4:H2O(cr)
|
|
SmPO4:H2O = 1.000Sm+3 - 2.000H+ + 1.000H2(PO4)- + 1.000H2O
|
|
log_k -6.670 #97LIU/BYR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.67E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SmectiteMX80
|
|
Na0.409K0.024Ca0.009(Si3.738Al0.262)(Al1.598Mg0.214Fe0.173Fe0.035)O10(OH)2 = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 0.035Fe+2 + 1.860Al+3 - 7.048H+ + 3.738H4(SiO4) - 2.952H2O
|
|
log_k 5.260
|
|
delta_h -184.029 #kJ/mol
|
|
# Enthalpy of formation: -5656.37 #kJ/mol #12GAI/BLA
|
|
-analytic -2.69804E+1 0E+0 9.61249E+3 0E+0 0E+0
|
|
-Vm 134.92
|
|
|
|
Smectite_MX80(3.989H2O)
|
|
(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:3.989H2O = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 0.035Fe+2 + 1.860Al+3 - 7.048H+ + 3.738H4(SiO4) + 1.037H2O
|
|
log_k 1.750
|
|
delta_h -157.245 #kJ/mol
|
|
# Enthalpy of formation: -6823.33 #kJ/mol #12GAI/BLA
|
|
-analytic -2.57981E+1 0E+0 8.21347E+3 0E+0 0E+0
|
|
-Vm 207
|
|
|
|
Smectite_MX80(5.189H2O)
|
|
(Ca0.009Na0.409K0.024)(Si3.738Al0.262)(Al1.598Fe0.173Fe0.035Mg0.214)O10(OH)2:5.189H2O = 0.009Ca+2 + 0.214Mg+2 + 0.024K+ + 0.409Na+ + 0.173Fe+3 + 0.035Fe+2 + 1.860Al+3 - 7.048H+ + 3.738H4(SiO4) + 2.237H2O
|
|
log_k 1.410
|
|
delta_h -149.151 #kJ/mol
|
|
# Enthalpy of formation: -7174.42 #kJ/mol #12GAI/BLA
|
|
-analytic -2.47201E+1 0E+0 7.79069E+3 0E+0 0E+0
|
|
-Vm 228.69
|
|
|
|
Sn(OH)4(s)
|
|
Sn(OH)4 = 1.000Sn+4 - 4.000H+ + 4.000H2O
|
|
log_k -1.280 #70BAR/KLI in 01SEB/POT
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.28E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sn(OH)Cl(s)
|
|
Sn(OH)Cl = 1.000Sn+2 - 1.000H+ + 1.000Cl- + 1.000H2O
|
|
log_k -2.420 #30RAN/MUR recalculated in 99LOT/OCH
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.42E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sn(cr)(alfa)
|
|
Sn = 1.000Sn+2 + 2.000e-
|
|
log_k 4.820
|
|
delta_h -7.637 #kJ/mol
|
|
# Enthalpy of formation: -1.98 #kJ/mol #12GAM/GAJ
|
|
-analytic 3.48206E+0 0E+0 3.98908E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sn(cr)(beta)
|
|
Sn = 1.000Sn+2 + 2.000e-
|
|
log_k 4.800
|
|
delta_h -9.617 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
|
|
-analytic 3.11518E+0 0E+0 5.0233E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SnO2(am)
|
|
SnO2 = 1.000Sn+4 - 4.000H+ + 2.000H2O
|
|
log_k -14.770
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.477E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SnSe(alfa)
|
|
SnSe = 1.000Sn+2 - 1.000H+ + 1.000HSe-
|
|
log_k -21.670
|
|
delta_h 114.183 #kJ/mol
|
|
# Enthalpy of formation: -109.5 #kJ/mol #05OLI/NOL
|
|
-analytic -1.66603E+0 0E+0 -5.96418E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SnSe2(s)
|
|
SnSe2 = 1.000Sn+2 - 2.000H+ - 2.000e- + 2.000HSe-
|
|
log_k -30.790
|
|
delta_h 133.883 #kJ/mol
|
|
# Enthalpy of formation: -114.9 #kJ/mol #05OLI/NOL
|
|
-analytic -7.33474E+0 0E+0 -6.99319E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Soddyite(synt1)
|
|
(UO2)2SiO4:2H2O = 2.000UO2+2 - 4.000H+ + 1.000H4(SiO4) + 2.000H2O
|
|
log_k 3.900 #97PER/CAS
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3.9E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Soddyite(synt2)
|
|
(UO2)2SiO4:2H2O = 2.000UO2+2 - 4.000H+ + 1.000H4(SiO4) + 2.000H2O
|
|
log_k 6.430 #07GOR/MAZ
|
|
delta_h -25.454 #kJ/mol
|
|
# Enthalpy of formation: -4045.4 #kJ/mol #07GOR/MAZ
|
|
-analytic 1.97066E+0 0E+0 1.32955E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sodium-compreignacite
|
|
Na2(UO2)6O4(OH)6:7H2O = 2.000Na+ + 6.000UO2+2 - 14.000H+ + 17.000H2O
|
|
log_k 39.400 #08GOR/FEI
|
|
delta_h -517.390 #kJ/mol
|
|
# Enthalpy of formation: -10936.4 #kJ/mol #06KUB/HEL
|
|
-analytic -5.12427E+1 0E+0 2.70251E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sphaerocobaltite
|
|
CoCO3 = 1.000Co+2 + 1.000CO3-2
|
|
log_k -11.200 #99GRA2
|
|
delta_h -9.421 #kJ/mol
|
|
# Enthalpy of formation: -723.409 #kJ/mol
|
|
-analytic -1.28505E+1 0E+0 4.92092E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sr(HPO4)(s)
|
|
Sr(HPO4) = 1.000Sr+2 - 1.000H+ + 1.000H2(PO4)-
|
|
log_k 0.280 #97MAR/SMI
|
|
delta_h -19.487 #kJ/mol
|
|
# Enthalpy of formation: -1834.013 #kJ/mol
|
|
-analytic -3.13397E+0 0E+0 1.01788E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sr(NO3)2(cr)
|
|
Sr(NO3)2 = 1.000Sr+2 + 2.000NO3-
|
|
log_k 0.400
|
|
delta_h 17.760 #kJ/mol
|
|
# Enthalpy of formation: -982.36 #kJ/mol #92GRE/FUG
|
|
-analytic 3.51141E+0 0E+0 -9.27668E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sr(NO3)2:2H2O(s)
|
|
Sr(NO3)2:2H2O = 1.000Sr+2 + 2.000NO3- + 2.000H2O
|
|
log_k 0.050 #25/08/1994
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 5E-2 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sr(NO3)2:4H2O(s)
|
|
Sr(NO3)2:4H2O = 1.000Sr+2 + 2.000NO3- + 4.000H2O
|
|
log_k -0.870 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -8.7E-1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sr(OH)2(s)
|
|
Sr(OH)2 = 1.000Sr+2 - 2.000H+ + 2.000H2O
|
|
log_k 27.510
|
|
delta_h -153.670 #kJ/mol
|
|
# Enthalpy of formation: -968.89 #kJ/mol #98CHA
|
|
-analytic 5.88211E-1 0E+0 8.02673E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sr(OH)2:8H2O(s)
|
|
Sr(OH)2:8H2O = 1.000Sr+2 - 2.000H+ + 10.000H2O
|
|
log_k 24.320 #98FEL/DIX
|
|
delta_h -57.000 #kJ/mol
|
|
# Enthalpy of formation: -3352.2 #kJ/mol #82WAG/EVA
|
|
-analytic 1.4334E+1 0E+0 2.97731E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sr(SeO3)(cr)
|
|
Sr(SeO3) = 1.000Sr+2 + 1.000SeO3-2
|
|
log_k -6.300 #05OLI/NOL
|
|
delta_h -6.160 #kJ/mol
|
|
# Enthalpy of formation: -1051.9 #kJ/mol #05OLI/NOL
|
|
-analytic -7.37918E+0 0E+0 3.21759E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sr(SeO4)(s)
|
|
Sr(SeO4) = 1.000Sr+2 + 1.000SeO4-2
|
|
log_k -4.350 #Original source 59SEL/ZUB recalculated in 05OLI/NOL
|
|
delta_h -21.841 #kJ/mol
|
|
# Enthalpy of formation: -1132.559 #kJ/mol
|
|
-analytic -8.17637E+0 0E+0 1.14083E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sr(cr)
|
|
Sr = 1.000Sr+2 + 2.000e-
|
|
log_k 98.790
|
|
delta_h -550.900 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #98CHA
|
|
-analytic 2.2766E+0 0E+0 2.87755E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sr2SiO4(s)
|
|
Sr2SiO4 = 2.000Sr+2 - 4.000H+ + 1.000H4(SiO4)
|
|
log_k 43.250
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 4.325E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sr3(AsO4)2(s)
|
|
Sr3(AsO4)2 = 3.000Sr+2 + 2.000AsO4-3
|
|
log_k -16.080
|
|
delta_h -109.504 #kJ/mol
|
|
# Enthalpy of formation: -3319.478 #kJ/mol
|
|
-analytic -3.52642E+1 0E+0 5.71978E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sr3(PO4)2(s)
|
|
Sr3(PO4)2 = 3.000Sr+2 - 4.000H+ + 2.000H2(PO4)-
|
|
log_k 10.530 #06BLA/IGN
|
|
delta_h -147.900 #kJ/mol
|
|
# Enthalpy of formation: -4110 #kJ/mol #97KHA/JEM
|
|
-analytic -1.53809E+1 0E+0 7.72534E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sr5(PO4)3(OH)(s)
|
|
Sr5(PO4)3(OH) = 5.000Sr+2 - 7.000H+ + 3.000H2(PO4)- + 1.000H2O
|
|
log_k 7.170 #05KIM/PAR
|
|
delta_h -261.630 #kJ/mol
|
|
# Enthalpy of formation: -6686.5 #kJ/mol #95JEM/CHE
|
|
-analytic -3.86655E+1 0E+0 1.36659E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SrBr2(s)
|
|
SrBr2 = 1.000Sr+2 + 2.000Br-
|
|
log_k 12.500 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.25E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SrBr2:6H2O(s)
|
|
SrBr2:6H2O = 1.000Sr+2 + 2.000Br- + 6.000H2O
|
|
log_k 2.820 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 2.82E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SrBr2:H2O(s)
|
|
SrBr2:H2O = 1.000Sr+2 + 2.000Br- + 1.000H2O
|
|
log_k 8.800 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.8E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SrCl2(s)
|
|
SrCl2 = 1.000Sr+2 + 2.000Cl-
|
|
log_k 8.120
|
|
delta_h -56.210 #kJ/mol
|
|
# Enthalpy of formation: -828.85 #kJ/mol #98CHA
|
|
-analytic -1.72755E+0 0E+0 2.93605E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SrCl2:2H2O(s)
|
|
SrCl2:2H2O = 1.000Sr+2 + 2.000Cl- + 2.000H2O
|
|
log_k 3.470
|
|
delta_h -18.720 #kJ/mol
|
|
# Enthalpy of formation: -1438 #kJ/mol #82WAG/EVA
|
|
-analytic 1.90402E-1 0E+0 9.77812E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SrCl2:6H2O(s)
|
|
SrCl2:6H2O = 1.000Sr+2 + 2.000Cl- + 6.000H2O
|
|
log_k 1.610
|
|
delta_h 23.760 #kJ/mol
|
|
# Enthalpy of formation: -2623.8 #kJ/mol #82WAG/EVA
|
|
-analytic 5.77257E+0 0E+0 -1.24107E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SrCl2:H2O(s)
|
|
SrCl2:H2O = 1.000Sr+2 + 2.000Cl- + 1.000H2O
|
|
log_k 4.910
|
|
delta_h -34.090 #kJ/mol
|
|
# Enthalpy of formation: -1136.8 #kJ/mol #82WAG/EVA
|
|
-analytic -1.0623E+0 0E+0 1.78064E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SrCrO4(s)
|
|
SrCrO4 = 1.000Sr+2 + 1.000CrO4-2
|
|
log_k -4.650 #97MAR/SMI
|
|
delta_h -10.125 #kJ/mol #97MAR/SMI
|
|
# Enthalpy of formation: -1419.775 #kJ/mol
|
|
-analytic -6.42382E+0 0E+0 5.28865E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SrF2(cr)
|
|
SrF2 = 1.000Sr+2 + 2.000F-
|
|
log_k -8.540 #96FAL/REA
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -8.54E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SrMoO4(s)
|
|
SrMoO4 = 1.000Sr+2 + 1.000MoO4-2
|
|
log_k -6.590 #54RAO in 74OHA/KEN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -6.59E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SrO(cr)
|
|
SrO = 1.000Sr+2 - 2.000H+ + 1.000H2O
|
|
log_k 41.980
|
|
delta_h -244.690 #kJ/mol
|
|
# Enthalpy of formation: -592.04 #kJ/mol #98CHA
|
|
-analytic -8.87785E-1 0E+0 1.2781E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SrS(s)
|
|
SrS = 1.000Sr+2 - 1.000H+ + 1.000HS-
|
|
log_k 14.680
|
|
delta_h -93.570 #kJ/mol
|
|
# Enthalpy of formation: -473.63 #kJ/mol #82WAG/EVA
|
|
-analytic -1.71274E+0 0E+0 4.88749E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SrSiO3(s)
|
|
SrSiO3 = 1.000Sr+2 - 2.000H+ + 1.000H4(SiO4) - 1.000H2O
|
|
log_k 13.160
|
|
delta_h -80.278 #kJ/mol
|
|
# Enthalpy of formation: -1645.986 #kJ/mol #74NAU/RYZ
|
|
-analytic -9.04081E-1 0E+0 4.19321E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
SrZrSi2O7(cr)
|
|
SrZrSi2O7 = 1.000Sr+2 - 6.000H+ + 2.000H4(SiO4) + 1.000Zr+4 - 1.000H2O
|
|
log_k 5.200
|
|
delta_h -155.158 #kJ/mol
|
|
# Enthalpy of formation: -3640.8 #kJ/mol #05BRO/CUR
|
|
-analytic -2.19825E+1 0E+0 8.10445E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Stellerite
|
|
Ca2Al4Si14O36:14H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 14.000H4(SiO4) - 6.000H2O
|
|
log_k 6.920
|
|
delta_h -325.096 #kJ/mol
|
|
# Enthalpy of formation: -21656.24 #kJ/mol #01FRI/NEU
|
|
-analytic -5.00343E+1 0E+0 1.69809E+4 0E+0 0E+0
|
|
-Vm 666.5
|
|
|
|
Stibnite
|
|
Sb2S3 = 3.000H+ + 3.000HS- + 2.000Sb(OH)3 - 6.000H2O
|
|
log_k -56.030
|
|
delta_h 269.694 #kJ/mol
|
|
# Enthalpy of formation: -151.4 #kJ/mol #95ROB/HEM
|
|
-analytic -8.78171E+0 0E+0 -1.40871E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Stilbite
|
|
NaCa2(Al5Si13)O36:16H2O = 2.000Ca+2 + 1.000Na+ + 5.000Al+3 - 20.000H+ + 13.000H4(SiO4)
|
|
log_k 22.970
|
|
delta_h -434.152 #kJ/mol
|
|
# Enthalpy of formation: -22579.71 #kJ/mol #01FRI/NEU
|
|
-analytic -5.30901E+1 0E+0 2.26773E+4 0E+0 0E+0
|
|
-Vm 664.7
|
|
|
|
Stilleite
|
|
ZnSe = 1.000Zn+2 - 1.000H+ + 1.000HSe-
|
|
log_k -12.050
|
|
delta_h 36.910 #kJ/mol
|
|
# Enthalpy of formation: -176 #kJ/mol #05OLI/NOL
|
|
-analytic -5.58366E+0 0E+0 -1.92794E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Stratlingite
|
|
Ca2Al2SiO3(OH)8:4H2O = 2.000Ca+2 + 2.000Al+3 - 10.000H+ + 1.000H4(SiO4) + 11.000H2O
|
|
log_k 49.660 #10BLA/BOU2
|
|
delta_h -397.949 #kJ/mol
|
|
# Enthalpy of formation: -6370.171 #kJ/mol
|
|
-analytic -2.00576E+1 0E+0 2.07863E+4 0E+0 0E+0
|
|
-Vm 215.63
|
|
|
|
Strontianite
|
|
Sr(CO3) = 1.000Sr+2 + 1.000CO3-2
|
|
log_k -9.270 #84BUS/PLU
|
|
delta_h -0.366 #kJ/mol
|
|
# Enthalpy of formation: -1225.765 #kJ/mol
|
|
-analytic -9.33412E+0 0E+0 1.91175E+1 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Sudoite
|
|
Mg2Al4Si3O10(OH)8 = 2.000Mg+2 + 4.000Al+3 - 16.000H+ + 3.000H4(SiO4) + 6.000H2O
|
|
log_k 37.930
|
|
delta_h -530.892 #kJ/mol
|
|
# Enthalpy of formation: -8655.27 #kJ/mol #05VID/PAR
|
|
-analytic -5.50781E+1 0E+0 2.77304E+4 0E+0 0E+0
|
|
-Vm 205.1
|
|
|
|
Sylvite
|
|
KCl = 1.000K+ + 1.000Cl-
|
|
log_k 0.870
|
|
delta_h 17.460 #kJ/mol
|
|
# Enthalpy of formation: -436.68 #kJ/mol #98CHA
|
|
-analytic 3.92886E+0 0E+0 -9.11998E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Syngenite
|
|
K2Ca(SO4)2:6H2O = 1.000Ca+2 + 2.000K+ + 2.000SO4-2 + 6.000H2O
|
|
log_k -7.450 #84HAR/MOL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -7.45E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Tachyhydrite
|
|
Mg2CaCl6:12H2O = 1.000Ca+2 + 2.000Mg+2 + 6.000Cl- + 12.000H2O
|
|
log_k 17.380 #84HAR/MOL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.738E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Talc
|
|
Mg3Si4O10(OH)2 = 3.000Mg+2 - 6.000H+ + 4.000H4(SiO4) - 4.000H2O
|
|
log_k 24.920
|
|
delta_h -210.356 #kJ/mol
|
|
# Enthalpy of formation: -5892.1 #kJ/mol #01KAH/MAR
|
|
-analytic -1.19327E+1 0E+0 1.09876E+4 0E+0 0E+0
|
|
-Vm 136.2
|
|
|
|
Tc(cr)
|
|
Tc = 1.000TcO(OH)2 + 4.000H+ + 4.000e- - 3.000H2O
|
|
log_k -25.080
|
|
delta_h 108.232 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #99RAR/RAN
|
|
-analytic -6.1186E+0 0E+0 -5.65334E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Tc2O7(s)
|
|
Tc2O7 = 2.000H+ + 2.000TcO4- - 1.000H2O
|
|
log_k 15.310
|
|
delta_h -46.470 #kJ/mol
|
|
# Enthalpy of formation: -1126.5 #kJ/mol #99RAR/RAN
|
|
-analytic 7.16882E+0 0E+0 2.42729E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Tc2O7:H2O(s)
|
|
Tc2O7:H2O = 2.000H+ + 2.000TcO4-
|
|
log_k 14.110
|
|
delta_h -44.654 #kJ/mol
|
|
# Enthalpy of formation: -1414.146 #kJ/mol #99RAR/RAN
|
|
-analytic 6.28697E+0 0E+0 2.33244E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
TcO2(cr)
|
|
TcO2 = 1.000TcO(OH)2 - 1.000H2O
|
|
log_k -9.140 #97NGU/LAN
|
|
delta_h -5.628 #kJ/mol
|
|
# Enthalpy of formation: -457.8 #kJ/mol #99RAR/RAN
|
|
-analytic -1.0126E+1 0E+0 2.9397E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
TcO2:1.63H2O(s)
|
|
TcO2:1.63H2O = 1.000TcO(OH)2 + 0.630H2O
|
|
log_k -8.400 #99RAR/RAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -8.4E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Th(HPO4)2(s)
|
|
Th(HPO4)2 = 1.000Th+4 - 2.000H+ + 2.000H2(PO4)-
|
|
log_k -16.110 #Estimated from An(IV) correlations
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.611E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Th(SO4)2:9H2O(cr)
|
|
Th(SO4)2:9H2O = 1.000Th+4 + 2.000SO4-2 + 9.000H2O
|
|
log_k -11.250 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.125E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Th(cr)
|
|
Th = 1.000Th+4 + 4.000e-
|
|
log_k 123.470
|
|
delta_h -768.700 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #09RAN/FUG
|
|
-analytic -1.12003E+1 0E+0 4.01519E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
ThF4(cr)
|
|
ThF4 = 1.000Th+4 + 4.000F-
|
|
log_k -19.110 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.911E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
ThO2(aged)
|
|
ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O
|
|
log_k 8.500 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 8.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
ThO2(coll)
|
|
ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O
|
|
log_k 11.100 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.11E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
ThO2(cr)
|
|
ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O
|
|
log_k 1.770
|
|
delta_h -113.960 #kJ/mol
|
|
# Enthalpy of formation: -1226.4 #kJ/mol #09RAN/FUG
|
|
-analytic -1.81949E+1 0E+0 5.95254E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
ThO2(fresh)
|
|
ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O
|
|
log_k 9.300 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.3E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
ThO2(mcr)
|
|
ThO2 = 1.000Th+4 - 4.000H+ + 2.000H2O
|
|
log_k 3.000 #09RAN/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 3E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Thermonatrite
|
|
Na2(CO3):H2O = 2.000Na+ + 1.000CO3-2 + 1.000H2O
|
|
log_k 0.480 #84HAR/MOL
|
|
delta_h -12.040 #kJ/mol
|
|
# Enthalpy of formation: -1429.7 #kJ/mol #82VAN
|
|
-analytic -1.62931E+0 0E+0 6.28892E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Thernardite
|
|
Na2SO4 = 2.000Na+ + 1.000SO4-2
|
|
log_k -0.360
|
|
delta_h -2.200 #kJ/mol
|
|
# Enthalpy of formation: -1387.82 #kJ/mol #98CHA
|
|
-analytic -7.45423E-1 0E+0 1.14914E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Tobermorite-11A
|
|
Ca5Si6O16.5(OH):5H2O = 5.000Ca+2 - 10.000H+ + 6.000H4(SiO4) - 1.500H2O
|
|
log_k 65.580 #10BLA/BOU1
|
|
delta_h -372.499 #kJ/mol
|
|
# Enthalpy of formation: -10680.92 #kJ/mol #00ZUE/FEH
|
|
-analytic 3.21072E-1 0E+0 1.94569E+4 0E+0 0E+0
|
|
-Vm 286.19
|
|
|
|
Tobermorite-14A
|
|
Ca5Si6O16.5(OH):10H2O = 5.000Ca+2 - 10.000H+ + 6.000H4(SiO4) + 3.500H2O
|
|
log_k 62.940 #10BLA/BOU1
|
|
delta_h -307.419 #kJ/mol
|
|
# Enthalpy of formation: -12175.15 #kJ/mol #10BLA/BOU1
|
|
-analytic 9.08258E+0 0E+0 1.60576E+4 0E+0 0E+0
|
|
-Vm 351.3
|
|
|
|
Trevorite
|
|
Fe2NiO4 = 2.000Fe+3 + 1.000Ni+2 - 8.000H+ + 4.000H2O
|
|
log_k 9.450
|
|
delta_h -215.157 #kJ/mol
|
|
# Enthalpy of formation: -1081.173 #kJ/mol
|
|
-analytic -2.82438E+1 0E+0 1.12384E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Troilite
|
|
FeS = 1.000Fe+2 - 1.000H+ + 1.000HS-
|
|
log_k -5.310 #91DAV
|
|
delta_h 2.017 #kJ/mol
|
|
# Enthalpy of formation: -108.317 #kJ/mol
|
|
-analytic -4.95664E+0 0E+0 -1.05355E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Trona
|
|
Na3H(CO3)2:2H2O = 3.000Na+ + 1.000H+ + 2.000CO3-2 + 2.000H2O
|
|
log_k -11.380 #84HAR/MOL
|
|
delta_h 38.960 #kJ/mol
|
|
# Enthalpy of formation: -2682.1 #kJ/mol #82VAN
|
|
-analytic -4.55451E+0 0E+0 -2.03502E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Truscottite
|
|
Ca7Si12O29(OH)4:H2O = 7.000Ca+2 - 14.000H+ + 12.000H4(SiO4) - 14.000H2O
|
|
log_k 77.080
|
|
delta_h -479.088 #kJ/mol
|
|
# Enthalpy of formation: -16854.62 #kJ/mol #10BLA/BOU1
|
|
-analytic -6.85249E+0 0E+0 2.50245E+4 0E+0 0E+0
|
|
-Vm 478.73
|
|
|
|
U(HPO4)2:4H2O(s)
|
|
U(HPO4)2:4H2O = 1.000U+4 - 2.000H+ + 2.000H2(PO4)- + 4.000H2O
|
|
log_k -16.070 #92GRE/FUG
|
|
delta_h -4.890 #kJ/mol
|
|
# Enthalpy of formation: -4334.828 #kJ/mol
|
|
-analytic -1.69267E+1 0E+0 2.55422E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
U(OH)2(SO4)(cr)
|
|
U(OH)2(SO4) = 1.000U+4 - 2.000H+ + 1.000SO4-2 + 2.000H2O
|
|
log_k -3.170 #92GRE/FUG
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -3.17E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
U(SO4)2(cr)
|
|
U(SO4)2 = 1.000U+4 + 2.000SO4-2
|
|
log_k -11.680
|
|
delta_h -100.280 #kJ/mol
|
|
# Enthalpy of formation: -2309.6 #kJ/mol #92GRE/FUG
|
|
-analytic -2.92483E+1 0E+0 5.23798E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
U(SO4)2:4H2O(cr)
|
|
U(SO4)2:4H2O = 1.000U+4 + 2.000SO4-2 + 4.000H2O
|
|
log_k -11.710
|
|
delta_h -70.000 #kJ/mol
|
|
# Enthalpy of formation: -3483.2 #kJ/mol #92GRE/FUG
|
|
-analytic -2.39735E+1 0E+0 3.65635E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
U(SO4)2:8H2O(cr)
|
|
U(SO4)2:8H2O = 1.000U+4 + 2.000SO4-2 + 8.000H2O
|
|
log_k -12.770
|
|
delta_h -33.920 #kJ/mol
|
|
# Enthalpy of formation: -4662.6 #kJ/mol #92GRE/FUG
|
|
-analytic -1.87125E+1 0E+0 1.77176E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
U(cr)
|
|
U = 1.000U+4 + 4.000e-
|
|
log_k 92.830
|
|
delta_h -591.200 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #92GRE/FUG
|
|
-analytic -1.07436E+1 0E+0 3.08805E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
U2O7Ba(cr)
|
|
U2O7Ba = 1.000Ba+2 + 2.000UO2+2 - 6.000H+ + 3.000H2O
|
|
log_k 21.390
|
|
delta_h -193.090 #kJ/mol
|
|
# Enthalpy of formation: -3237.2 #kJ/mol #92GRE/FUG
|
|
-analytic -1.24379E+1 0E+0 1.00858E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
U2O7Ba2(cr)
|
|
U2O7Ba2 = 2.000Ba+2 + 2.000UO2+ - 6.000H+ + 3.000H2O
|
|
log_k 35.350
|
|
delta_h -237.344 #kJ/mol
|
|
# Enthalpy of formation: -3740 #kJ/mol #92GRE/FUG
|
|
-analytic -6.23082E+0 0E+0 1.23973E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
U2O7Na2(s)
|
|
U2O7Na2 = 2.000Na+ + 2.000UO2+2 - 6.000H+ + 3.000H2O
|
|
log_k 22.600
|
|
delta_h -172.370 #kJ/mol
|
|
# Enthalpy of formation: -3203.8 #kJ/mol #92GRE/FUG
|
|
-analytic -7.59788E+0 0E+0 9.0035E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
U3As4(s)
|
|
U3As4 = 3.000UO2+2 + 44.000H+ + 38.000e- + 4.000AsO4-3 - 22.000H2O
|
|
log_k -86.090
|
|
delta_h 398.700 #kJ/mol
|
|
# Enthalpy of formation: -720 #kJ/mol #03GUI/FAN
|
|
-analytic -1.62409E+1 0E+0 -2.08255E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UAs(s)
|
|
UAs = 1.000UO2+2 + 12.000H+ + 11.000e- + 1.000AsO4-3 - 6.000H2O
|
|
log_k -10.460
|
|
delta_h 42.140 #kJ/mol
|
|
# Enthalpy of formation: -234.3 #kJ/mol #03GUI/FAN
|
|
-analytic -3.0774E+0 0E+0 -2.20112E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UAs2(s)
|
|
UAs2 = 1.000UO2+2 + 20.000H+ + 16.000e- + 2.000AsO4-3 - 10.000H2O
|
|
log_k -65.680
|
|
delta_h 315.020 #kJ/mol
|
|
# Enthalpy of formation: -252 #kJ/mol #03GUI/FAN
|
|
-analytic -1.04909E+1 0E+0 -1.64546E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO2(CO3)3Mg2:18H2O(s)
|
|
UO2(CO3)3Mg2:18H2O = 2.000Mg+2 + 1.000UO2+2 + 3.000CO3-2 + 18.000H2O
|
|
log_k -29.010
|
|
delta_h 40.570 #kJ/mol
|
|
# Enthalpy of formation: -9164.2 #kJ/mol #99CHE/EWI
|
|
-analytic -2.19025E+1 0E+0 -2.11912E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO2(CO3)3Na4(cr)
|
|
UO2(CO3)3Na4 = 4.000Na+ + 1.000UO2+2 + 3.000CO3-2
|
|
log_k -27.180 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.718E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO2(HPO4):4H2O(cr)
|
|
UO2(HPO4):4H2O = 1.000UO2+2 - 1.000H+ + 1.000H2(PO4)- + 4.000H2O
|
|
log_k -4.640 #92GRE/FUG
|
|
delta_h 5.048 #kJ/mol
|
|
# Enthalpy of formation: -3469.967 #kJ/mol
|
|
-analytic -3.75563E+0 0E+0 -2.63675E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO2(OH)2(beta)
|
|
UO2(OH)2 = 1.000UO2+2 - 2.000H+ + 2.000H2O
|
|
log_k 4.930
|
|
delta_h -56.860 #kJ/mol
|
|
# Enthalpy of formation: -1533.8 #kJ/mol #92GRE/FUG
|
|
-analytic -5.03143E+0 0E+0 2.97E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO2(Ox):3H2O(s)
|
|
UO2(Ox):3H2O = 1.000UO2+2 + 1.000Ox-2 + 3.000H2O
|
|
log_k -8.930 #05HUM/AND
|
|
delta_h -5.160 #kJ/mol #05HUM/AND
|
|
# Enthalpy of formation: -2701.99 #kJ/mol
|
|
-analytic -9.83399E+0 0E+0 2.69525E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO2(SO3)(cr)
|
|
UO2(SO3) = 1.000UO2+2 + 1.000SO3-2
|
|
log_k -16.050
|
|
delta_h 10.940 #kJ/mol
|
|
# Enthalpy of formation: -1661 #kJ/mol #92GRE/FUG
|
|
-analytic -1.41334E+1 0E+0 -5.71435E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO2(SO4)(cr)
|
|
UO2(SO4) = 1.000UO2+2 + 1.000SO4-2
|
|
log_k 1.890
|
|
delta_h -83.200 #kJ/mol
|
|
# Enthalpy of formation: -1845.14 #kJ/mol #92GRE/FUG
|
|
-analytic -1.2686E+1 0E+0 4.34583E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO2(SO4):2.5H2O(cr)
|
|
UO2(SO4):2.5H2O = 1.000UO2+2 + 1.000SO4-2 + 2.500H2O
|
|
log_k -1.590
|
|
delta_h -35.915 #kJ/mol
|
|
# Enthalpy of formation: -2607 #kJ/mol #92GRE/FUG
|
|
-analytic -7.88203E+0 0E+0 1.87597E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO2(SO4):3.5H2O(cr)
|
|
UO2(SO4):3.5H2O = 1.000UO2+2 + 1.000SO4-2 + 3.500H2O
|
|
log_k -1.590
|
|
delta_h -27.145 #kJ/mol
|
|
# Enthalpy of formation: -2901.6 #kJ/mol #92GRE/FUG
|
|
-analytic -6.34559E+0 0E+0 1.41788E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO2(SO4):3H2O(cr)
|
|
UO2(SO4):3H2O = 1.000UO2+2 + 1.000SO4-2 + 3.000H2O
|
|
log_k -1.500
|
|
delta_h -34.330 #kJ/mol
|
|
# Enthalpy of formation: -2751.5 #kJ/mol #92GRE/FUG
|
|
-analytic -7.51435E+0 0E+0 1.79318E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO2.25(s)
|
|
UO2.25 = 1.000U+4 - 4.500H+ - 0.500e- + 2.250H2O
|
|
log_k -1.000
|
|
delta_h -106.318 #kJ/mol
|
|
# Enthalpy of formation: -1128 #kJ/mol #92GRE/FUG
|
|
-analytic -1.96261E+1 0E+0 5.55337E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO2.34(beta)
|
|
UO2.34 = 1.000U+4 - 4.680H+ - 0.680e- + 2.340H2O
|
|
log_k 0.950
|
|
delta_h -119.042 #kJ/mol
|
|
# Enthalpy of formation: -1141 #kJ/mol #03GUI/FAN
|
|
-analytic -1.99052E+1 0E+0 6.21799E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO2.67(s)
|
|
UO2.67 = 1.000U+4 - 5.340H+ - 1.340e- + 2.670H2O
|
|
log_k 7.000
|
|
delta_h -162.766 #kJ/mol
|
|
# Enthalpy of formation: -1191.6 #kJ/mol #92GRE/FUG
|
|
-analytic -2.15153E+1 0E+0 8.50185E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO2:2H2O(am)
|
|
UO2:2H2O = 1.000U+4 - 4.000H+ + 4.000H2O
|
|
log_k 1.500 #03GUI/FAN
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 1.5E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO3(alfa)
|
|
UO3 = 1.000UO2+2 - 2.000H+ + 1.000H2O
|
|
log_k 9.520
|
|
delta_h -92.420 #kJ/mol
|
|
# Enthalpy of formation: -1212.41 #kJ/mol #03GUI/FAN
|
|
-analytic -6.67127E+0 0E+0 4.82743E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO3(beta)
|
|
UO3 = 1.000UO2+2 - 2.000H+ + 1.000H2O
|
|
log_k 8.300
|
|
delta_h -84.530 #kJ/mol
|
|
# Enthalpy of formation: -1220.3 #kJ/mol #92GRE/FUG
|
|
-analytic -6.509E+0 0E+0 4.4153E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO3Na(s)
|
|
UO3Na = 1.000Na+ + 1.000UO2+ - 2.000H+ + 1.000H2O
|
|
log_k 8.340
|
|
delta_h -56.397 #kJ/mol
|
|
# Enthalpy of formation: -1494.9 #kJ/mol #92GRE/FUG
|
|
-analytic -1.54032E+0 0E+0 2.94582E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO4Ba(s)
|
|
UO4Ba = 1.000Ba+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O
|
|
log_k 17.640
|
|
delta_h -131.660 #kJ/mol
|
|
# Enthalpy of formation: -1993.8 #kJ/mol #92GRE/FUG
|
|
-analytic -5.42581E+0 0E+0 6.87707E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO4Ca(cr)
|
|
UO4Ca = 1.000Ca+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O
|
|
log_k 15.930
|
|
delta_h -131.360 #kJ/mol
|
|
# Enthalpy of formation: -2002.3 #kJ/mol #92GRE/FUG
|
|
-analytic -7.08325E+0 0E+0 6.8614E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO4Li2(s)
|
|
UO4Li2 = 1.000UO2+2 - 4.000H+ + 2.000H2O + 2.000Li+
|
|
log_k 27.940
|
|
delta_h -179.400 #kJ/mol
|
|
# Enthalpy of formation: -1968.2 #kJ/mol #92GRE/FUG
|
|
-analytic -3.48948E+0 0E+0 9.3707E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO4Mg(cr)
|
|
UO4Mg = 1.000Mg+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O
|
|
log_k 23.230
|
|
delta_h -200.360 #kJ/mol
|
|
# Enthalpy of formation: -1857.3 #kJ/mol #92GRE/FUG
|
|
-analytic -1.18715E+1 0E+0 1.04655E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO4Na2(alfa)
|
|
UO4Na2 = 2.000Na+ + 1.000UO2+2 - 4.000H+ + 2.000H2O
|
|
log_k 30.030
|
|
delta_h -173.640 #kJ/mol
|
|
# Enthalpy of formation: -1897.7 #kJ/mol #92GRE/FUG
|
|
-analytic -3.90378E-1 0E+0 9.06984E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO4Na3(cr)
|
|
UO4Na3 = 3.000Na+ + 1.000UO2+ - 4.000H+ + 2.000H2O
|
|
log_k 56.280
|
|
delta_h -293.807 #kJ/mol
|
|
# Enthalpy of formation: -2024 #kJ/mol #92GRE/FUG
|
|
-analytic 4.8073E+0 0E+0 1.53466E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO4Sr(alfa)
|
|
UO4Sr = 1.000Sr+2 + 1.000UO2+2 - 4.000H+ + 2.000H2O
|
|
log_k 19.160
|
|
delta_h -151.960 #kJ/mol
|
|
# Enthalpy of formation: -1989.6 #kJ/mol #92GRE/FUG
|
|
-analytic -7.46221E+0 0E+0 7.93741E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
UO6Ba3(cr)
|
|
UO6Ba3 = 3.000Ba+2 + 1.000UO2+2 - 8.000H+ + 4.000H2O
|
|
log_k 92.700
|
|
delta_h -556.320 #kJ/mol
|
|
# Enthalpy of formation: -3210.4 #kJ/mol #92GRE/FUG
|
|
-analytic -4.76294E+0 0E+0 2.90586E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
US2(cr)
|
|
US2 = 1.000U+4 - 2.000H+ + 2.000HS-
|
|
log_k -2.430
|
|
delta_h -103.400 #kJ/mol
|
|
# Enthalpy of formation: -520.4 #kJ/mol #92GRE/FUG
|
|
-analytic -2.05449E+1 0E+0 5.40095E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
USe2(beta)
|
|
USe2 = 1.000U+4 - 2.000H+ + 2.000HSe-
|
|
log_k 2.820
|
|
delta_h -135.600 #kJ/mol
|
|
# Enthalpy of formation: -427 #kJ/mol #92GRE/FUG
|
|
-analytic -2.09361E+1 0E+0 7.08287E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Uraninite
|
|
UO2 = 1.000U+4 - 4.000H+ + 2.000H2O
|
|
log_k -4.850
|
|
delta_h -77.860 #kJ/mol
|
|
# Enthalpy of formation: -1085 #kJ/mol #92GRE/FUG
|
|
-analytic -1.84905E+1 0E+0 4.06691E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Uranophane
|
|
Ca(UO2)2(SiO3OH)2:5H2O = 1.000Ca+2 + 2.000UO2+2 - 6.000H+ + 2.000H4(SiO4) + 5.000H2O
|
|
log_k 9.420 #92NGU/SIL
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic 9.42E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Vaesite
|
|
NiS2 = 1.000Ni+2 - 2.000H+ - 2.000e- + 2.000HS-
|
|
log_k -17.970
|
|
delta_h 40.388 #kJ/mol
|
|
# Enthalpy of formation: -128 #kJ/mol #05GAM/BUG
|
|
-analytic -1.08943E+1 0E+0 -2.10961E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Valentinite
|
|
Sb2O3 = 2.000Sb(OH)3 - 3.000H2O
|
|
log_k -8.480
|
|
delta_h 18.474 #kJ/mol
|
|
# Enthalpy of formation: -708.77 #kJ/mol #62MAH in 03ZOT/SHI
|
|
-analytic -5.2435E+0 0E+0 -9.64963E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Vaterite
|
|
CaCO3 = 1.000Ca+2 + 1.000CO3-2
|
|
log_k -7.900
|
|
delta_h -14.930 #kJ/mol
|
|
# Enthalpy of formation: -1203.3 #kJ/mol #87GAR/PAR
|
|
-analytic -1.05156E+1 0E+0 7.79847E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Vermiculite-Ca
|
|
Ca0.43Mg3Si3.14Al0.86O10(OH)2 = 0.430Ca+2 + 3.000Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O
|
|
log_k 39.550
|
|
delta_h -377.538 #kJ/mol
|
|
# Enthalpy of formation: -6148.06 #kJ/mol #15BLA/VIE
|
|
-analytic -2.65917E+1 0E+0 1.97202E+4 0E+0 0E+0
|
|
-Vm 149.8
|
|
|
|
Vermiculite-K
|
|
K0.86Mg3.00Si3.14Al0.86O10(OH)2 = 3.000Mg+2 + 0.860K+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O
|
|
log_k 37.440
|
|
delta_h -335.539 #kJ/mol
|
|
# Enthalpy of formation: -6173.41 #kJ/mol #15BLA/VIE
|
|
-analytic -2.13438E+1 0E+0 1.75264E+4 0E+0 0E+0
|
|
-Vm 147.56
|
|
|
|
Vermiculite-Mg
|
|
Mg0.43Mg3Si3.14Al0.86O10(OH)2 = 3.430Mg+2 + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O
|
|
log_k 38.040
|
|
delta_h -379.808 #kJ/mol
|
|
# Enthalpy of formation: -6113.11 #kJ/mol #15BLA/VIE
|
|
-analytic -2.84994E+1 0E+0 1.98387E+4 0E+0 0E+0
|
|
-Vm 139.69
|
|
|
|
Vermiculite-Na
|
|
Na0.86Mg3.00Si3.14Al0.86O10(OH)2 = 3.000Mg+2 + 0.860Na+ + 0.860Al+3 - 9.440H+ + 3.140H4(SiO4) - 0.560H2O
|
|
log_k 38.390
|
|
delta_h -355.541 #kJ/mol
|
|
# Enthalpy of formation: -6143.26 #kJ/mol #15BLA/VIE
|
|
-analytic -2.3898E+1 0E+0 1.85712E+4 0E+0 0E+0
|
|
-Vm 145.71
|
|
|
|
Vermiculite_SO
|
|
(Ca0.445)(Si2.778Al1.222)(Al0.216Fe0.226Fe0.028Mg2.475)O10(OH)2 = 0.445Ca+2 + 2.475Mg+2 + 0.226Fe+3 + 0.028Fe+2 + 1.438Al+3 - 10.888H+ + 2.778H4(SiO4) + 0.888H2O
|
|
log_k 45.890
|
|
delta_h -463.877 #kJ/mol
|
|
# Enthalpy of formation: -6034.41 #kJ/mol #13GAI/BLA
|
|
-analytic -3.53776E+1 0E+0 2.42299E+4 0E+0 0E+0
|
|
-Vm 148.36
|
|
|
|
Vivianite
|
|
Fe3(PO4)2:8H2O = 3.000Fe+2 - 4.000H+ + 2.000H2(PO4)- + 8.000H2O
|
|
log_k 3.120 #90ALL/BRO
|
|
delta_h -9.561 #kJ/mol
|
|
# Enthalpy of formation: -5152.279 #kJ/mol #91CRO/EWA
|
|
-analytic 1.44499E+0 0E+0 4.99405E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Wairakite
|
|
CaAl2Si4O12:2H2O = 1.000Ca+2 + 2.000Al+3 - 8.000H+ + 4.000H4(SiO4) - 2.000H2O
|
|
log_k 14.420
|
|
delta_h -246.216 #kJ/mol
|
|
# Enthalpy of formation: -6646.7 #kJ/mol #96KIS/NAV
|
|
-analytic -2.87151E+1 0E+0 1.28607E+4 0E+0 0E+0
|
|
-Vm 193.56
|
|
|
|
Witherite
|
|
Ba(CO3) = 1.000Ba+2 + 1.000CO3-2
|
|
log_k -8.560 #86BUS/PLU
|
|
delta_h 2.941 #kJ/mol #86BUS/PLU
|
|
# Enthalpy of formation: -1212.971 #kJ/mol
|
|
-analytic -8.04476E+0 0E+0 -1.53619E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Xonotlite
|
|
Ca6Si6O17(OH)2 = 6.000Ca+2 - 12.000H+ + 6.000H4(SiO4) - 5.000H2O
|
|
log_k 91.340 #10BLA/BOU1
|
|
delta_h -573.864 #kJ/mol
|
|
# Enthalpy of formation: -10022.15 #kJ/mol #56NEW
|
|
-analytic -9.19651E+0 0E+0 2.9975E+4 0E+0 0E+0
|
|
-Vm 256.9
|
|
|
|
Zeolite_CaP
|
|
Ca2Al4Si4O16:9H2O = 2.000Ca+2 + 4.000Al+3 - 16.000H+ + 4.000H4(SiO4) + 9.000H2O
|
|
log_k 45.150 #09BLA
|
|
delta_h -527.736 #kJ/mol
|
|
# Enthalpy of formation: -11129.11 #kJ/mol #09BLA
|
|
-analytic -4.73052E+1 0E+0 2.75655E+4 0E+0 0E+0
|
|
-Vm 305.7
|
|
|
|
Zn(SeO4):6H2O(s)
|
|
Zn(SeO4):6H2O = 1.000Zn+2 + 1.000SeO4-2 + 6.000H2O
|
|
log_k -1.540 #05OLI/NOL
|
|
delta_h -13.330 #kJ/mol
|
|
# Enthalpy of formation: -2458.54 #kJ/mol #05OLI/NOL
|
|
-analytic -3.87531E+0 0E+0 6.96273E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Zn(cr)
|
|
Zn = 1.000Zn+2 + 2.000e-
|
|
log_k 25.790
|
|
delta_h -153.390 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
|
|
-analytic -1.08274E+0 0E+0 8.01211E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Zn3(AsO4)2(s)
|
|
Zn3(AsO4)2 = 3.000Zn+2 + 2.000AsO4-3
|
|
log_k -27.450
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -2.745E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
ZnB2O4(s)
|
|
ZnB2O4 = 1.000Zn+2 + 2.000B(OH)4- - 4.000H2O
|
|
log_k -10.190 #91BAL/NOR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -1.019E+1 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Zr(HPO4)2(alfa)
|
|
Zr(HPO4)2 = - 2.000H+ + 2.000H2(PO4)- + 1.000Zr+4
|
|
log_k -32.270
|
|
delta_h -47.500 #kJ/mol
|
|
# Enthalpy of formation: -3166.2 #kJ/mol #05BRO/CUR
|
|
-analytic -4.05916E+1 0E+0 2.48109E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Zr(HPO4)2:H2O(cr)
|
|
Zr(HPO4)2:H2O = - 2.000H+ + 2.000H2(PO4)- + 1.000Zr+4 + 1.000H2O
|
|
log_k -27.080 #05BRO/CUR
|
|
delta_h -33.430 #kJ/mol
|
|
# Enthalpy of formation: -3466.1 #kJ/mol #05BRO/CUR
|
|
-analytic -3.29367E+1 0E+0 1.74617E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Zr(OH)4(am,aged)
|
|
Zr(OH)4 = - 4.000H+ + 1.000Zr+4 + 4.000H2O
|
|
log_k -5.550 #Recalculated from 04EKB/KAL in 05BRO/CUR
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: #kJ/mol
|
|
-analytic -5.55E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Zr(OH)4(am,fresh)
|
|
Zr(OH)4 = - 4.000H+ + 1.000Zr+4 + 4.000H2O
|
|
log_k -3.240 #05BRO/CUR
|
|
delta_h -89.620 #kJ/mol
|
|
# Enthalpy of formation: -1662.2 #kJ/mol #05BRO/CUR
|
|
-analytic -1.89407E+1 0E+0 4.68117E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Zr(SO4)2(cr)
|
|
Zr(SO4)2 = 2.000SO4-2 + 1.000Zr+4
|
|
log_k 1.240
|
|
delta_h -181.980 #kJ/mol
|
|
# Enthalpy of formation: -2245.2 #kJ/mol #05BRO/CUR
|
|
-analytic -3.06415E+1 0E+0 9.50546E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Zr(SO4)2:4H2O(s)
|
|
Zr(SO4)2:4H2O = 2.000SO4-2 + 1.000Zr+4 + 4.000H2O
|
|
log_k -7.650
|
|
delta_h -99.600 #kJ/mol
|
|
# Enthalpy of formation: -3470.9 #kJ/mol #05BRO/CUR
|
|
-analytic -2.50991E+1 0E+0 5.20246E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Zr(cr)
|
|
Zr = 4.000e- + 1.000Zr+4
|
|
log_k 92.590
|
|
delta_h -608.500 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #05BRO/CUR
|
|
-analytic -1.40145E+1 0E+0 3.17841E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
ZrBr4(cr)
|
|
ZrBr4 = 4.000Br- + 1.000Zr+4
|
|
log_k 38.520
|
|
delta_h -334.640 #kJ/mol
|
|
# Enthalpy of formation: -759.5 #kJ/mol #05BRO/CUR
|
|
-analytic -2.01063E+1 0E+0 1.74794E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
ZrCl(s)
|
|
ZrCl = 3.000e- + 1.000Cl- + 1.000Zr+4
|
|
log_k 69.240
|
|
delta_h -484.380 #kJ/mol
|
|
# Enthalpy of formation: -291.2 #kJ/mol #05BRO/CUR
|
|
-analytic -1.56196E+1 0E+0 2.53009E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
ZrCl2(s)
|
|
ZrCl2 = 2.000e- + 2.000Cl- + 1.000Zr+4
|
|
log_k 51.650
|
|
delta_h -399.860 #kJ/mol
|
|
# Enthalpy of formation: -542.8 #kJ/mol #05BRO/CUR
|
|
-analytic -1.84024E+1 0E+0 2.08861E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
ZrCl3(s)
|
|
ZrCl3 = 1.000e- + 3.000Cl- + 1.000Zr+4
|
|
log_k 40.720
|
|
delta_h -349.640 #kJ/mol
|
|
# Enthalpy of formation: -760.1 #kJ/mol #05BRO/CUR
|
|
-analytic -2.05342E+1 0E+0 1.82629E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
ZrCl4(s)
|
|
ZrCl4 = 4.000Cl- + 1.000Zr+4
|
|
log_k 28.600
|
|
delta_h -296.020 #kJ/mol
|
|
# Enthalpy of formation: -980.8 #kJ/mol #05BRO/CUR
|
|
-analytic -2.32604E+1 0E+0 1.54622E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
ZrF2(s)
|
|
ZrF2 = 2.000e- + 2.000F- + 1.000Zr+4
|
|
log_k 32.610
|
|
delta_h -323.200 #kJ/mol
|
|
# Enthalpy of formation: -956 #kJ/mol #97VIS/COR
|
|
-analytic -2.40121E+1 0E+0 1.68819E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
ZrF3(s)
|
|
ZrF3 = 1.000e- + 3.000F- + 1.000Zr+4
|
|
log_k 2.800
|
|
delta_h -181.550 #kJ/mol
|
|
# Enthalpy of formation: -1433 #kJ/mol #97VIS/COR
|
|
-analytic -2.90061E+1 0E+0 9.483E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
ZrF4(beta)
|
|
ZrF4 = 4.000F- + 1.000Zr+4
|
|
log_k -27.250
|
|
delta_h -38.600 #kJ/mol
|
|
# Enthalpy of formation: -1911.3 #kJ/mol #05BRO/CUR
|
|
-analytic -3.40124E+1 0E+0 2.01622E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
ZrI4(cr)
|
|
ZrI4 = 4.000I- + 1.000Zr+4
|
|
log_k 44.590
|
|
delta_h -346.720 #kJ/mol
|
|
# Enthalpy of formation: -488.9 #kJ/mol #05BRO/CUR
|
|
-analytic -1.61526E+1 0E+0 1.81104E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
ZrO2(cr)
|
|
ZrO2 = - 4.000H+ + 1.000Zr+4 + 2.000H2O
|
|
log_k -7.000
|
|
delta_h -79.560 #kJ/mol
|
|
# Enthalpy of formation: -1100.6 #kJ/mol #05BRO/CUR
|
|
-analytic -2.09383E+1 0E+0 4.1557E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
ZrSiO4(s)
|
|
ZrSiO4 = - 4.000H+ + 1.000H4(SiO4) + 1.000Zr+4
|
|
log_k -14.360
|
|
delta_h -35.494 #kJ/mol
|
|
# Enthalpy of formation: -2034.2 #kJ/mol #05BRO/CUR
|
|
-analytic -2.05783E+1 0E+0 1.85398E+3 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
illite-FeIII
|
|
K0.85Fe0.25Al2.6Si3.15O10(OH)2 = 0.850K+ + 0.250Fe+3 + 2.600Al+3 - 9.400H+ + 3.150H4(SiO4) - 0.600H2O
|
|
log_k 12.370
|
|
delta_h -262.282 #kJ/mol
|
|
# Enthalpy of formation: -5795.39 #kJ/mol #15BLA/VIE
|
|
-analytic -3.35798E+1 0E+0 1.36999E+4 0E+0 0E+0
|
|
-Vm 138.92
|
|
|
|
|
|
|
|
|
|
# PMATCH GASES
|
|
|
|
CH4(g)
|
|
CH4 = 10.000H+ + 8.000e- + 1.000CO3-2 - 3.000H2O
|
|
log_k -41.050
|
|
delta_h 257.133 #kJ/mol
|
|
# Enthalpy of formation: -74.873 #kJ/mol #98CHA
|
|
-analytic 3.9977E+0 0E+0 -1.3431E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CO(g)
|
|
CO = 4.000H+ + 2.000e- + 1.000CO3-2 - 2.000H2O
|
|
log_k -14.640
|
|
delta_h 6.960 #kJ/mol
|
|
# Enthalpy of formation: -110.53 #kJ/mol #89COX/WAG
|
|
-analytic -1.34207E+1 0E+0 -3.63546E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
CO2(g)
|
|
CO2 = 2.000H+ + 1.000CO3-2 - 1.000H2O
|
|
log_k -18.150
|
|
delta_h 4.110 #kJ/mol
|
|
# Enthalpy of formation: -393.51 #kJ/mol #89COX/WAG
|
|
-analytic -1.743E+1 0E+0 -2.1468E+2 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
Cl2(g)
|
|
Cl2 = - 2.000e- + 2.000Cl-
|
|
log_k 45.980
|
|
delta_h -334.160 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
|
|
-analytic -1.25622E+1 0E+0 1.74544E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
H2(g)
|
|
H2 = 2.000H+ + 2.000e-
|
|
log_k 0.000
|
|
# delta_h 0.000 #kJ/mol
|
|
# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
|
|
-analytic 0E+0 0E+0 0E+0 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
H2O(g)
|
|
H2O = 2.000H+ + 2.000e- + 0.500O2
|
|
log_k -41.500
|
|
delta_h 235.759 #kJ/mol
|
|
# Enthalpy of formation: -241.826 #kJ/mol #89COX/WAG
|
|
-analytic -1.96857E-1 0E+0 -1.23145E+4 0E+0 0E+0
|
|
# -Vm 0
|
|
|
|
H2S(g)
|
|
H2S = 1.000H+ + 1.000HS-
|
|
log_k -8.000
|
|
delta_h 4.300 #kJ/mol
|
|
# Enthalpy of formation: -20.6 #kJ/mol #89COX/WAG
|
|
-analytic -7.24667E+0 0E+0 -2.24604E+2 0E+0 0E+0
|
|
# -Vm 0
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HCl(g)
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HCl = 1.000H+ + 1.000Cl-
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log_k 6.290
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delta_h -74.770 #kJ/mol
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# Enthalpy of formation: -92.31 #kJ/mol #89COX/WAG
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-analytic -6.80912E+0 0E+0 3.9055E+3 0E+0 0E+0
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# -Vm 0
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O2(g)
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O2 = 1.000O2
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log_k -2.900
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delta_h -12.134 #kJ/mol
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# Enthalpy of formation: 0 #kJ/mol #89COX/WAG
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-analytic -5.02578E+0 0E+0 6.33802E+2 0E+0 0E+0
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# -Vm 0
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SO2(g)
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SO2 = 2.000H+ + 1.000SO3-2 - 1.000H2O
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log_k -8.940
|
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delta_h -48.420 #kJ/mol
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# Enthalpy of formation: -296.81 #kJ/mol #89COX/WAG
|
|
-analytic -1.74228E+1 0E+0 2.52915E+3 0E+0 0E+0
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# -Vm 0
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